smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ncnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164629833 719077711 /nfs/dbraw/zinc/07/77/11/719077711.db2.gz ZIXFUJAZFBACGG-JKSUJKDBSA-N 1 0 369.425 2.494 20 5 FEBDRO CC(C)N(C)Cc1nn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2c1CC[NH2+]C2 ZINC001164681842 719617019 /nfs/dbraw/zinc/61/70/19/719617019.db2.gz BBMTZZBVBPTJBV-UHFFFAOYSA-N 1 0 364.837 2.315 20 5 FEBDRO COc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724296 720370978 /nfs/dbraw/zinc/37/09/78/720370978.db2.gz JCYVTHALDRVIOY-HUUCEWRRSA-N 1 0 355.398 2.247 20 5 FEBDRO Cc1c(C)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771719 721149798 /nfs/dbraw/zinc/14/97/98/721149798.db2.gz SRGKFOWIDORSPP-IAGOWNOFSA-N 1 0 370.457 2.298 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928548 721858434 /nfs/dbraw/zinc/85/84/34/721858434.db2.gz OEYCUIHQQQOYRW-STQMWFEESA-N 1 0 353.854 2.166 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931229 721861345 /nfs/dbraw/zinc/86/13/45/721861345.db2.gz UJLZHTWBJSKPRQ-QZTJIDSGSA-N 1 0 355.442 2.358 20 5 FEBDRO COc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001165048253 721970261 /nfs/dbraw/zinc/97/02/61/721970261.db2.gz NFDYGTGIUKZRTK-ZDUSSCGKSA-N 1 0 365.434 2.247 20 5 FEBDRO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966621 722073700 /nfs/dbraw/zinc/07/37/00/722073700.db2.gz DRHRSPIVQUZAOQ-IYBDPMFKSA-N 1 0 354.410 2.442 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026852951 539794500 /nfs/dbraw/zinc/79/45/00/539794500.db2.gz KJTJFZIESNKDDU-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441007 539939561 /nfs/dbraw/zinc/93/95/61/539939561.db2.gz SJQWTFCGUUNRHB-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000033853142 539975970 /nfs/dbraw/zinc/97/59/70/539975970.db2.gz ZMIMBAYMHYCWDK-SFHVURJKSA-N 1 0 372.421 2.318 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000041322020 540017075 /nfs/dbraw/zinc/01/70/75/540017075.db2.gz QWDQYABOBWLZOT-LBPRGKRZSA-N 1 0 370.837 2.279 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CC(C)C)CC1 ZINC000041894499 540038336 /nfs/dbraw/zinc/03/83/36/540038336.db2.gz PVOMQLKYWYUZAW-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046036195 540238289 /nfs/dbraw/zinc/23/82/89/540238289.db2.gz MPFVISXLLPCWCK-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047145467 540292855 /nfs/dbraw/zinc/29/28/55/540292855.db2.gz DNDAYUPLNBSOFY-CYBMUJFWSA-N 1 0 363.414 2.233 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000048313104 540356690 /nfs/dbraw/zinc/35/66/90/540356690.db2.gz HGZHTXIRXWOEEG-HNNXBMFYSA-N 1 0 364.352 2.488 20 5 FEBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051043416 540420233 /nfs/dbraw/zinc/42/02/33/540420233.db2.gz AKYHPVRRLPRJPA-AWEZNQCLSA-N 1 0 362.430 2.162 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052002122 540450882 /nfs/dbraw/zinc/45/08/82/540450882.db2.gz CXXLCSDPDKJZEQ-SFHVURJKSA-N 1 0 363.458 2.285 20 5 FEBDRO COc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000054779535 540609497 /nfs/dbraw/zinc/60/94/97/540609497.db2.gz RZKLRXABHJAYRJ-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000055198343 540635144 /nfs/dbraw/zinc/63/51/44/540635144.db2.gz GYJWIWKFQKSXPJ-UHFFFAOYSA-N 1 0 362.474 2.212 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000055298018 540645337 /nfs/dbraw/zinc/64/53/37/540645337.db2.gz SFZXAQBMKBKLEQ-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000056786191 540745667 /nfs/dbraw/zinc/74/56/67/540745667.db2.gz QUSBOIKOWVRSGM-LSDHHAIUSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000063518979 541172430 /nfs/dbraw/zinc/17/24/30/541172430.db2.gz KBFUBRQRZVXMPB-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000063725848 541181649 /nfs/dbraw/zinc/18/16/49/541181649.db2.gz ZICYJUIGFOXATR-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000065162863 541228536 /nfs/dbraw/zinc/22/85/36/541228536.db2.gz DZWIOTFHJHAUCE-KRWDZBQOSA-N 1 0 358.394 2.401 20 5 FEBDRO Cc1c(Br)c(NCCC[NH+]2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000542508929 541417498 /nfs/dbraw/zinc/41/74/98/541417498.db2.gz AALKIAFKTVQHGS-UHFFFAOYSA-N 1 0 373.251 2.319 20 5 FEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000067104788 541418578 /nfs/dbraw/zinc/41/85/78/541418578.db2.gz LPRDBXFNTCWJEZ-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+]1CCCCC1 ZINC000067138415 541423352 /nfs/dbraw/zinc/42/33/52/541423352.db2.gz QZGVMCZQFKFXGO-AWEZNQCLSA-N 1 0 372.429 2.027 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067191120 541430091 /nfs/dbraw/zinc/43/00/91/541430091.db2.gz PXXWCJCTSXMOPT-UHFFFAOYSA-N 1 0 363.414 2.170 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067398280 541457222 /nfs/dbraw/zinc/45/72/22/541457222.db2.gz ZTYJAKLJENDVCX-GXTWGEPZSA-N 1 0 362.430 2.078 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000068341447 541579214 /nfs/dbraw/zinc/57/92/14/541579214.db2.gz WEWSXUAYXMIVST-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068386159 541585846 /nfs/dbraw/zinc/58/58/46/541585846.db2.gz RTFSPKPMORYLJK-CQSZACIVSA-N 1 0 359.430 2.427 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000069469957 541687911 /nfs/dbraw/zinc/68/79/11/541687911.db2.gz SBMKPEIJIAPINY-MRXNPFEDSA-N 1 0 362.430 2.243 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069745365 541709830 /nfs/dbraw/zinc/70/98/30/541709830.db2.gz UFRKRIFNVKVCCZ-WAVCKPEOSA-N 1 0 359.426 2.179 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000072627409 541840444 /nfs/dbraw/zinc/84/04/44/541840444.db2.gz CBAFEOLDGHVTFK-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665309 541847133 /nfs/dbraw/zinc/84/71/33/541847133.db2.gz OGPYXDWKVZCBMO-OAHLLOKOSA-N 1 0 356.382 2.463 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000072716329 541855299 /nfs/dbraw/zinc/85/52/99/541855299.db2.gz RKCBIRUNGKOPSO-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000072753545 541859813 /nfs/dbraw/zinc/85/98/13/541859813.db2.gz DJOXYWKCMFNBSN-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072855640 541882229 /nfs/dbraw/zinc/88/22/29/541882229.db2.gz SYMGOWGTPFANNI-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO CCCNC(=O)C[N@H+](CCC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063525864 205293134 /nfs/dbraw/zinc/29/31/34/205293134.db2.gz RXYWOMMZYBXYPE-UHFFFAOYSA-N 1 0 364.446 2.470 20 5 FEBDRO C[NH+](C)C1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000073032768 541910890 /nfs/dbraw/zinc/91/08/90/541910890.db2.gz VLGNGYZSSWXALI-UHFFFAOYSA-N 1 0 353.422 2.353 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000801526116 674133719 /nfs/dbraw/zinc/13/37/19/674133719.db2.gz AIPFFMPZDIIXLY-JTQLQIEISA-N 1 0 353.375 2.232 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000075636964 542195146 /nfs/dbraw/zinc/19/51/46/542195146.db2.gz KQCSIHWJOQJPHZ-IBGZPJMESA-N 1 0 374.441 2.203 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078455653 542462318 /nfs/dbraw/zinc/46/23/18/542462318.db2.gz MNSUVGMBJUKAAY-CYBMUJFWSA-N 1 0 355.460 2.309 20 5 FEBDRO Cc1cnc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000078658536 542474523 /nfs/dbraw/zinc/47/45/23/542474523.db2.gz SNRQHBORILKVDQ-UHFFFAOYSA-N 1 0 357.414 2.202 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000079117718 542500893 /nfs/dbraw/zinc/50/08/93/542500893.db2.gz FPYUVOBAGXGVLX-UHFFFAOYSA-N 1 0 361.398 2.066 20 5 FEBDRO CN(CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079357061 542513924 /nfs/dbraw/zinc/51/39/24/542513924.db2.gz BRRGXYCAHCKBSO-QGZVFWFLSA-N 1 0 370.453 2.320 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CCO1 ZINC000083171184 542692948 /nfs/dbraw/zinc/69/29/48/542692948.db2.gz ANFKFRFHNYUSCR-CYBMUJFWSA-N 1 0 360.414 2.421 20 5 FEBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000087190355 542743322 /nfs/dbraw/zinc/74/33/22/542743322.db2.gz WIWKRRZQNICIRP-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134112 674162748 /nfs/dbraw/zinc/16/27/48/674162748.db2.gz FBYZVMIXLYRQJO-OCCSQVGLSA-N 1 0 354.378 2.490 20 5 FEBDRO Nc1ccc(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000089432908 542763089 /nfs/dbraw/zinc/76/30/89/542763089.db2.gz JPOHDFKINQUNLE-UHFFFAOYSA-N 1 0 358.402 2.112 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000089923513 542772727 /nfs/dbraw/zinc/77/27/27/542772727.db2.gz NCPWZZKRVVYRFE-UHFFFAOYSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089960000 542776751 /nfs/dbraw/zinc/77/67/51/542776751.db2.gz ITDNAKQUSUVSPN-MOPGFXCFSA-N 1 0 369.421 2.268 20 5 FEBDRO O=C(CC[NH+]1CCC(O)(C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089968774 542780573 /nfs/dbraw/zinc/78/05/73/542780573.db2.gz QGDAYFKAIIMBML-UHFFFAOYSA-N 1 0 361.320 2.313 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092659950 542878032 /nfs/dbraw/zinc/87/80/32/542878032.db2.gz BETHIJABBHMUTH-AWEZNQCLSA-N 1 0 371.441 2.473 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000110652549 543363713 /nfs/dbraw/zinc/36/37/13/543363713.db2.gz UZXRCGYYRKARFS-INIZCTEOSA-N 1 0 371.441 2.138 20 5 FEBDRO CSc1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000110867360 543371221 /nfs/dbraw/zinc/37/12/21/543371221.db2.gz JIICKSQSCLMCLL-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000113197814 543476436 /nfs/dbraw/zinc/47/64/36/543476436.db2.gz LDQQSNKRBYMXCO-AWEZNQCLSA-N 1 0 365.430 2.363 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000114140737 543505354 /nfs/dbraw/zinc/50/53/54/543505354.db2.gz VNQFVQWCJKCCIB-MDZDMXLPSA-N 1 0 360.458 2.142 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114641599 543526855 /nfs/dbraw/zinc/52/68/55/543526855.db2.gz OOXKRJRRYWUGNU-HNNXBMFYSA-N 1 0 357.414 2.031 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115254818 543556473 /nfs/dbraw/zinc/55/64/73/543556473.db2.gz XXAQIOZAQSSLRK-UHFFFAOYSA-N 1 0 363.462 2.213 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247477463 549340529 /nfs/dbraw/zinc/34/05/29/549340529.db2.gz SNBPUIWIOPPKRE-SUMWQHHRSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247479921 549341372 /nfs/dbraw/zinc/34/13/72/549341372.db2.gz SRHRDORYWPLEHI-CXAGYDPISA-N 1 0 357.414 2.193 20 5 FEBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000121682726 543698312 /nfs/dbraw/zinc/69/83/12/543698312.db2.gz QBTOGONCUHLGTR-CYBMUJFWSA-N 1 0 362.411 2.324 20 5 FEBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122885029 543729615 /nfs/dbraw/zinc/72/96/15/543729615.db2.gz HQPLJYSTVRFSER-GOSISDBHSA-N 1 0 358.442 2.118 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000123004922 543736785 /nfs/dbraw/zinc/73/67/85/543736785.db2.gz ZMMYDJCNXJGECI-UHFFFAOYSA-N 1 0 374.397 2.025 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000123090254 543741228 /nfs/dbraw/zinc/74/12/28/543741228.db2.gz YXVRROSAPCOSOB-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000247485049 549342635 /nfs/dbraw/zinc/34/26/35/549342635.db2.gz GERTYSQYRNOALR-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124748163 543840745 /nfs/dbraw/zinc/84/07/45/543840745.db2.gz OWGCCCWVRJHVDJ-UGSOOPFHSA-N 1 0 362.430 2.160 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024823 543856557 /nfs/dbraw/zinc/85/65/57/543856557.db2.gz JOCKNMWYSHTQFQ-BDAKNGLRSA-N 1 0 367.349 2.162 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000125091057 543859714 /nfs/dbraw/zinc/85/97/14/543859714.db2.gz IBPFOFFOIKPHEZ-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636953 543948232 /nfs/dbraw/zinc/94/82/32/543948232.db2.gz ZVSFFWKBCYWUMT-WFASDCNBSA-N 1 0 361.446 2.359 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128522335 544057866 /nfs/dbraw/zinc/05/78/66/544057866.db2.gz KHKULOYRTLHOJD-INIZCTEOSA-N 1 0 362.430 2.160 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000129827356 544128630 /nfs/dbraw/zinc/12/86/30/544128630.db2.gz LRBSOFOLZIEADU-UHFFFAOYSA-N 1 0 374.372 2.229 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000129850508 544129568 /nfs/dbraw/zinc/12/95/68/544129568.db2.gz NEUCPIIJUNXMLG-LLVKDONJSA-N 1 0 359.224 2.011 20 5 FEBDRO CC[N@H+](Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)C1CC1 ZINC000130002439 544134843 /nfs/dbraw/zinc/13/48/43/544134843.db2.gz YWUFMXJIFKUHFH-UHFFFAOYSA-N 1 0 357.414 2.206 20 5 FEBDRO COCCN(CC(=O)N(C)C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130414186 544150084 /nfs/dbraw/zinc/15/00/84/544150084.db2.gz JVNXPXHZSGPIPA-UHFFFAOYSA-N 1 0 361.398 2.391 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000135225173 544338359 /nfs/dbraw/zinc/33/83/59/544338359.db2.gz FBTTTWVQSIULMF-UHFFFAOYSA-N 1 0 360.458 2.160 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141575784 544413518 /nfs/dbraw/zinc/41/35/18/544413518.db2.gz MTNZBZQZMADMHW-QGZVFWFLSA-N 1 0 355.398 2.091 20 5 FEBDRO C[C@@H](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000151203269 544515956 /nfs/dbraw/zinc/51/59/56/544515956.db2.gz LYWZBQKCLRRFMI-HNNXBMFYSA-N 1 0 374.445 2.001 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000151267176 544522595 /nfs/dbraw/zinc/52/25/95/544522595.db2.gz XDQHBOUJAPQZAA-HWKANZROSA-N 1 0 365.455 2.154 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152709054 544686791 /nfs/dbraw/zinc/68/67/91/544686791.db2.gz WOCDLBNMJFPINI-QLFBSQMISA-N 1 0 369.487 2.381 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152918363 544712124 /nfs/dbraw/zinc/71/21/24/544712124.db2.gz KDDJIMQZJFBVFS-KGLIPLIRSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235399 544749997 /nfs/dbraw/zinc/74/99/97/544749997.db2.gz RDXLSWSGZAQYNL-YJBOKZPZSA-N 1 0 363.458 2.283 20 5 FEBDRO O=C1C[C@H](c2ccccc2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000153880623 544834622 /nfs/dbraw/zinc/83/46/22/544834622.db2.gz CORHVHJEAADZCN-MSOLQXFVSA-N 1 0 355.394 2.191 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153527878 544786561 /nfs/dbraw/zinc/78/65/61/544786561.db2.gz LVSAWOXWCBINMT-IUCAKERBSA-N 1 0 359.329 2.027 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc([N+](=O)[O-])c1F ZINC000154289447 544886614 /nfs/dbraw/zinc/88/66/14/544886614.db2.gz KZLOOQPSULTKEA-ZDUSSCGKSA-N 1 0 371.390 2.217 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCN(C(=O)C(C)C)CC1 ZINC000155067836 544984309 /nfs/dbraw/zinc/98/43/09/544984309.db2.gz NLMFNKGHSWLZSL-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000553280058 674250121 /nfs/dbraw/zinc/25/01/21/674250121.db2.gz QDGURRWEURAHFF-OLZOCXBDSA-N 1 0 350.419 2.760 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179272839 327633867 /nfs/dbraw/zinc/63/38/67/327633867.db2.gz SPDBGPDNVYLOHD-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000180605571 327693082 /nfs/dbraw/zinc/69/30/82/327693082.db2.gz NPQNNUMBCWYXJG-INIZCTEOSA-N 1 0 358.398 2.218 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000181226024 327721435 /nfs/dbraw/zinc/72/14/35/327721435.db2.gz DNGJETSDHFOWAN-UHFFFAOYSA-N 1 0 361.851 2.225 20 5 FEBDRO CN(C)C(=O)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182209459 327765581 /nfs/dbraw/zinc/76/55/81/327765581.db2.gz XIVXLSHJBNJHBF-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184726195 327880761 /nfs/dbraw/zinc/88/07/61/327880761.db2.gz SQNYUAYGJIVGAZ-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186974208 327994688 /nfs/dbraw/zinc/99/46/88/327994688.db2.gz XURYYOUVETZOJS-UHFFFAOYSA-N 1 0 374.372 2.229 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187332545 328017221 /nfs/dbraw/zinc/01/72/21/328017221.db2.gz PQVAWLACGGITJS-INIZCTEOSA-N 1 0 352.431 2.352 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000188017545 328060675 /nfs/dbraw/zinc/06/06/75/328060675.db2.gz UKTWZJYLMUIZQW-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188720442 328106591 /nfs/dbraw/zinc/10/65/91/328106591.db2.gz BEOJBTJDTWCEMP-GOFCXVBSSA-N 1 0 361.442 2.302 20 5 FEBDRO C[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C[NH+]1CCCC1 ZINC000188808114 328112114 /nfs/dbraw/zinc/11/21/14/328112114.db2.gz WCWATAMUIXZFKU-CQSZACIVSA-N 1 0 362.430 2.099 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189199774 328134318 /nfs/dbraw/zinc/13/43/18/328134318.db2.gz LDDDHDLZHRIPJX-RDJZCZTQSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189199752 328134396 /nfs/dbraw/zinc/13/43/96/328134396.db2.gz LDDDHDLZHRIPJX-WBVHZDCISA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000189212432 328135143 /nfs/dbraw/zinc/13/51/43/328135143.db2.gz UYBMHLAFZLHESO-UHFFFAOYSA-N 1 0 367.814 2.330 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000189456817 328149484 /nfs/dbraw/zinc/14/94/84/328149484.db2.gz SFHGOBNOYSGJDH-ZDUSSCGKSA-N 1 0 363.336 2.477 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000189554271 328154695 /nfs/dbraw/zinc/15/46/95/328154695.db2.gz DVOJTIFYXPWXGX-UONOGXRCSA-N 1 0 360.414 2.137 20 5 FEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000190024934 328183349 /nfs/dbraw/zinc/18/33/49/328183349.db2.gz MRNTYZGRONDKMZ-WBVHZDCISA-N 1 0 356.394 2.398 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053796 328184747 /nfs/dbraw/zinc/18/47/47/328184747.db2.gz CDJONVKUIIBKBA-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000191687066 328277249 /nfs/dbraw/zinc/27/72/49/328277249.db2.gz CQCREJODGFSCPR-UHFFFAOYSA-N 1 0 359.430 2.452 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000192029868 328295411 /nfs/dbraw/zinc/29/54/11/328295411.db2.gz JPVQBLNBFNIXRP-CYBMUJFWSA-N 1 0 361.851 2.352 20 5 FEBDRO CCC(CC)(C[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000192702686 328334084 /nfs/dbraw/zinc/33/40/84/328334084.db2.gz TVAQQYRLPRCMME-GFCCVEGCSA-N 1 0 351.403 2.491 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[C@H]1CCC[NH2+]C1 ZINC000236567822 328489220 /nfs/dbraw/zinc/48/92/20/328489220.db2.gz SJFGQGDHXXIGMF-LLVKDONJSA-N 1 0 370.247 2.406 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000237349601 328513398 /nfs/dbraw/zinc/51/33/98/328513398.db2.gz IBYNDZNEPXBZRX-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[NH2+]1 ZINC000237438778 328516373 /nfs/dbraw/zinc/51/63/73/328516373.db2.gz HRORCGJEXGWNDA-ZJUUUORDSA-N 1 0 356.220 2.109 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237470001 328517383 /nfs/dbraw/zinc/51/73/83/328517383.db2.gz GFWCVYDWVZOQQR-CMPLNLGQSA-N 1 0 370.247 2.486 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](C[C@H]4CCOC4)CC3)co2)cc1 ZINC000089908504 325341833 /nfs/dbraw/zinc/34/18/33/325341833.db2.gz MVPYIODYQOUYDB-OAHLLOKOSA-N 1 0 372.425 2.404 20 5 FEBDRO COc1cccc(NC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000090551366 325362572 /nfs/dbraw/zinc/36/25/72/325362572.db2.gz UOWGINBMKFWJCD-UHFFFAOYSA-N 1 0 372.425 2.342 20 5 FEBDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000110014191 325681726 /nfs/dbraw/zinc/68/17/26/325681726.db2.gz ZMQUFSWRCKRHBV-VOTSOKGWSA-N 1 0 372.469 2.094 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111573683 325725974 /nfs/dbraw/zinc/72/59/74/325725974.db2.gz SUFPCIZXIQDKBU-UHFFFAOYSA-N 1 0 372.425 2.429 20 5 FEBDRO CC1CCC([NH+]2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000115890729 325985559 /nfs/dbraw/zinc/98/55/59/325985559.db2.gz QGZLKWFXBNVZSE-UHFFFAOYSA-N 1 0 374.441 2.256 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000116476718 326017873 /nfs/dbraw/zinc/01/78/73/326017873.db2.gz IFFHNTWCQHSDNP-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO COCCOC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000116885993 326039881 /nfs/dbraw/zinc/03/98/81/326039881.db2.gz VPFVOKCJPLADAL-UHFFFAOYSA-N 1 0 365.430 2.359 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000119061784 326123194 /nfs/dbraw/zinc/12/31/94/326123194.db2.gz XIOFQZOUIPXMLS-AWEZNQCLSA-N 1 0 370.475 2.165 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119888345 326208859 /nfs/dbraw/zinc/20/88/59/326208859.db2.gz DKQSLKJYSUXBJW-AWEZNQCLSA-N 1 0 350.419 2.132 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000120131362 326233011 /nfs/dbraw/zinc/23/30/11/326233011.db2.gz XLSRYHBMBTXESK-ZTFGCOKTSA-N 1 0 359.426 2.104 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000120131501 326233059 /nfs/dbraw/zinc/23/30/59/326233059.db2.gz XLSRYHBMBTXESK-OLMNPRSZSA-N 1 0 359.426 2.104 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322358 326249704 /nfs/dbraw/zinc/24/97/04/326249704.db2.gz KWAXBUBKWKTARC-CQSZACIVSA-N 1 0 355.460 2.241 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000121862712 326372487 /nfs/dbraw/zinc/37/24/87/326372487.db2.gz IDSSBKOVZHSHLK-CYBMUJFWSA-N 1 0 362.430 2.080 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000126762015 326494773 /nfs/dbraw/zinc/49/47/73/326494773.db2.gz INTZFNXKFWHDFW-INIZCTEOSA-N 1 0 359.382 2.148 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000131466417 326575208 /nfs/dbraw/zinc/57/52/08/326575208.db2.gz UUDKRNDXUKXBNR-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000133352678 326607229 /nfs/dbraw/zinc/60/72/29/326607229.db2.gz UELUKSOVDNMDRO-OIRASMEMSA-N 1 0 350.444 2.242 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000134370330 326624529 /nfs/dbraw/zinc/62/45/29/326624529.db2.gz PMNWCXBORZUALQ-IAGOWNOFSA-N 1 0 362.430 2.484 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000151753856 326690261 /nfs/dbraw/zinc/69/02/61/326690261.db2.gz QGCNLXSJAASSRX-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000158254333 326889918 /nfs/dbraw/zinc/88/99/18/326889918.db2.gz DXXHNXQFPOHPJC-UHFFFAOYSA-N 1 0 355.441 2.067 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000162230175 327020381 /nfs/dbraw/zinc/02/03/81/327020381.db2.gz TVXFTXLEZDSSKK-IYBDPMFKSA-N 1 0 360.458 2.225 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000163378862 327049931 /nfs/dbraw/zinc/04/99/31/327049931.db2.gz OBAXFFQDESERQJ-IBGZPJMESA-N 1 0 371.441 2.421 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000164529381 327071433 /nfs/dbraw/zinc/07/14/33/327071433.db2.gz KNYOHBOOBPVGIY-OAHLLOKOSA-N 1 0 357.414 2.113 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170743548 327096497 /nfs/dbraw/zinc/09/64/97/327096497.db2.gz XISIFGYPGNAXRO-OAHLLOKOSA-N 1 0 362.430 2.102 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000170787066 327099263 /nfs/dbraw/zinc/09/92/63/327099263.db2.gz RNWIWAKIPWSLOS-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000171620028 327148592 /nfs/dbraw/zinc/14/85/92/327148592.db2.gz ZBINQPFSSZRDOG-CQSZACIVSA-N 1 0 357.414 2.391 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000171677992 327154469 /nfs/dbraw/zinc/15/44/69/327154469.db2.gz AUHKISCZVHVJBL-UHFFFAOYSA-N 1 0 363.393 2.223 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000171680561 327154537 /nfs/dbraw/zinc/15/45/37/327154537.db2.gz BZNUPFCCCMNXNI-AWEZNQCLSA-N 1 0 363.462 2.464 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000171691124 327155442 /nfs/dbraw/zinc/15/54/42/327155442.db2.gz MYUHWBHXDDWHEE-UHFFFAOYSA-N 1 0 350.419 2.004 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171774815 327160924 /nfs/dbraw/zinc/16/09/24/327160924.db2.gz NQIPHLNQFKAHKF-LBPRGKRZSA-N 1 0 357.414 2.057 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000172706753 327214851 /nfs/dbraw/zinc/21/48/51/327214851.db2.gz MMDAZDQJTMXLOJ-ZDUSSCGKSA-N 1 0 362.386 2.451 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000172832483 327221466 /nfs/dbraw/zinc/22/14/66/327221466.db2.gz JVFMUWBQAPNJLW-OAHLLOKOSA-N 1 0 363.414 2.328 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000173282692 327246913 /nfs/dbraw/zinc/24/69/13/327246913.db2.gz LBCSGHNZXHADBY-CABCVRRESA-N 1 0 374.441 2.315 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173288908 327247543 /nfs/dbraw/zinc/24/75/43/327247543.db2.gz PRKSLGMPLYKDHJ-SGQUHAKNSA-N 1 0 372.469 2.237 20 5 FEBDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173312822 327249158 /nfs/dbraw/zinc/24/91/58/327249158.db2.gz AODAEQOJWRBFPX-MRXNPFEDSA-N 1 0 370.457 2.248 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000173521853 327263455 /nfs/dbraw/zinc/26/34/55/327263455.db2.gz VGNFZSZDVZLOFP-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173630971 327272493 /nfs/dbraw/zinc/27/24/93/327272493.db2.gz CSNNGGISJDVOQL-MRXNPFEDSA-N 1 0 367.471 2.232 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173949499 327297038 /nfs/dbraw/zinc/29/70/38/327297038.db2.gz GAKPXLKWTBTADE-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174027434 327302386 /nfs/dbraw/zinc/30/23/86/327302386.db2.gz GQANGJZVLRHECZ-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCOC1 ZINC000174142701 327308707 /nfs/dbraw/zinc/30/87/07/327308707.db2.gz QLSACOCVDONMHI-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CCc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000174205300 327312959 /nfs/dbraw/zinc/31/29/59/327312959.db2.gz AMWDUYZCMQRMTP-SFHVURJKSA-N 1 0 374.485 2.399 20 5 FEBDRO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174708732 327344743 /nfs/dbraw/zinc/34/47/43/327344743.db2.gz KZJCKZNTGMGTDI-FUHWJXTLSA-N 1 0 360.414 2.388 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174941780 327362469 /nfs/dbraw/zinc/36/24/69/327362469.db2.gz DOCHTOUBWHWVPF-QGZVFWFLSA-N 1 0 371.441 2.080 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087035 327373161 /nfs/dbraw/zinc/37/31/61/327373161.db2.gz XMXQSQUUCUOSEJ-WDEREUQCSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000175097298 327373688 /nfs/dbraw/zinc/37/36/88/327373688.db2.gz BSDSSCQONGYZLP-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000175130590 327375843 /nfs/dbraw/zinc/37/58/43/327375843.db2.gz JHLKFLMAMMEMHR-DZGCQCFKSA-N 1 0 355.460 2.172 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000176695956 327470690 /nfs/dbraw/zinc/47/06/90/327470690.db2.gz ZASNQLJFYYHVES-HUUCEWRRSA-N 1 0 364.446 2.012 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261711662 328813680 /nfs/dbraw/zinc/81/36/80/328813680.db2.gz PRIHVQGBTJNKEV-CYBMUJFWSA-N 1 0 373.862 2.401 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC(CC[NH2+]C)CC2)c([N+](=O)[O-])c1 ZINC000261990827 328833976 /nfs/dbraw/zinc/83/39/76/328833976.db2.gz LTCMJBCLSPUPPI-UHFFFAOYSA-N 1 0 364.446 2.254 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000264369837 329015442 /nfs/dbraw/zinc/01/54/42/329015442.db2.gz CMSQYGAPWBTMEH-BBVFFXRHSA-N 1 0 372.469 2.237 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264683158 329048166 /nfs/dbraw/zinc/04/81/66/329048166.db2.gz VLWMHRPHNJOAPS-JTQLQIEISA-N 1 0 363.386 2.122 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000264861194 329068465 /nfs/dbraw/zinc/06/84/65/329068465.db2.gz DXFAOAFYUPUDFV-UHFFFAOYSA-N 1 0 353.419 2.220 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000265131259 329094549 /nfs/dbraw/zinc/09/45/49/329094549.db2.gz RMFRQTYWJCTVDJ-UHFFFAOYSA-N 1 0 374.441 2.489 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C(CO)CO)ccc1Oc1ccccc1Cl ZINC000266170424 329197073 /nfs/dbraw/zinc/19/70/73/329197073.db2.gz QYKUAFRAOFZLMR-UHFFFAOYSA-N 1 0 352.774 2.483 20 5 FEBDRO C[NH+](C)[C@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCSC1 ZINC000267101011 329291951 /nfs/dbraw/zinc/29/19/51/329291951.db2.gz OWRLMWCLPDNFGP-KRWDZBQOSA-N 1 0 364.471 2.336 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267107028 329292484 /nfs/dbraw/zinc/29/24/84/329292484.db2.gz MGODRKCSMLRIQZ-HNNXBMFYSA-N 1 0 355.485 2.240 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160135 329391918 /nfs/dbraw/zinc/39/19/18/329391918.db2.gz VKCRFPAIPCAGRV-YPMHNXCESA-N 1 0 351.403 2.071 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000269158243 329491678 /nfs/dbraw/zinc/49/16/78/329491678.db2.gz IXVIBXTUMGEUNL-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269180350 329493932 /nfs/dbraw/zinc/49/39/32/329493932.db2.gz HXXCXWWQGWLPSJ-NEPJUHHUSA-N 1 0 350.375 2.238 20 5 FEBDRO CS[C@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271682603 329714809 /nfs/dbraw/zinc/71/48/09/329714809.db2.gz ZOAVMGVPYFKMLR-HOTGVXAUSA-N 1 0 366.487 2.215 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271965226 329741134 /nfs/dbraw/zinc/74/11/34/329741134.db2.gz GNRXTMWXNVSKOM-HIFRSBDPSA-N 1 0 374.846 2.074 20 5 FEBDRO COc1cc(OCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000272149101 329755857 /nfs/dbraw/zinc/75/58/57/329755857.db2.gz FUIPIXZZRRDMDC-ZDUSSCGKSA-N 1 0 365.430 2.171 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272986856 329828283 /nfs/dbraw/zinc/82/82/83/329828283.db2.gz REVHTZSQGLNGPI-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000273060872 329833700 /nfs/dbraw/zinc/83/37/00/329833700.db2.gz SQXJDXHYRNLQNO-RBSFLKMASA-N 1 0 360.458 2.416 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273103341 329837309 /nfs/dbraw/zinc/83/73/09/329837309.db2.gz FIJNXWRXNWZBIE-ZDUSSCGKSA-N 1 0 354.403 2.046 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379408 329860027 /nfs/dbraw/zinc/86/00/27/329860027.db2.gz HGTKZWXJHMBNDG-PWSUYJOCSA-N 1 0 356.220 2.491 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000273613748 329879160 /nfs/dbraw/zinc/87/91/60/329879160.db2.gz ONANUZNRYPACME-GFCCVEGCSA-N 1 0 359.386 2.371 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000273660081 329882521 /nfs/dbraw/zinc/88/25/21/329882521.db2.gz HWKPDNBSFAFTTH-JSGCOSHPSA-N 1 0 354.432 2.113 20 5 FEBDRO O=[N+]([O-])c1ccn(Cc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)n1 ZINC000273736012 329887496 /nfs/dbraw/zinc/88/74/96/329887496.db2.gz BHGUTZDWGQIKMT-UHFFFAOYSA-N 1 0 354.370 2.485 20 5 FEBDRO CCc1[nH]nc(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302550 330032641 /nfs/dbraw/zinc/03/26/41/330032641.db2.gz NASLBAQPXOAZKH-LBPRGKRZSA-N 1 0 372.429 2.351 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275539908 330061345 /nfs/dbraw/zinc/06/13/45/330061345.db2.gz MNTWTMXEMINTAR-ZIAGYGMSSA-N 1 0 357.414 2.361 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275869496 330098064 /nfs/dbraw/zinc/09/80/64/330098064.db2.gz NYOOYHDNWVPCJT-MQMHXKEQSA-N 1 0 351.403 2.167 20 5 FEBDRO CCOCCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000276138461 330122913 /nfs/dbraw/zinc/12/29/13/330122913.db2.gz DSUSVYVDHQUGKA-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000276401158 330148832 /nfs/dbraw/zinc/14/88/32/330148832.db2.gz DCPSCKUOBVPOIL-SNVBAGLBSA-N 1 0 360.395 2.043 20 5 FEBDRO NC(=O)c1ccc(CN2CCC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367142624 330221910 /nfs/dbraw/zinc/22/19/10/330221910.db2.gz YXCFYEUTPXUPOP-HNNXBMFYSA-N 1 0 360.458 2.392 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C[NH+]2CCCCC2)c1F ZINC000411385344 330256612 /nfs/dbraw/zinc/25/66/12/330256612.db2.gz KDSVYLUQGGCHAZ-GFCCVEGCSA-N 1 0 353.394 2.276 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426236375 330271286 /nfs/dbraw/zinc/27/12/86/330271286.db2.gz FYWZEFNYMAVRQG-GDBMZVCRSA-N 1 0 351.403 2.167 20 5 FEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433178013 330275054 /nfs/dbraw/zinc/27/50/54/330275054.db2.gz BJXMFVSWWTZRNP-CQSZACIVSA-N 1 0 353.444 2.038 20 5 FEBDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000554051600 674301670 /nfs/dbraw/zinc/30/16/70/674301670.db2.gz ZOZUAMRFQUADNN-LSDHHAIUSA-N 1 0 355.460 2.287 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554555288 674323601 /nfs/dbraw/zinc/32/36/01/674323601.db2.gz PFAGLIWGWUVAHL-HNNXBMFYSA-N 1 0 350.419 2.147 20 5 FEBDRO C[C@@H](CN(C)C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554975461 674344078 /nfs/dbraw/zinc/34/40/78/674344078.db2.gz JVTPJICUHUDFDO-VIFPVBQESA-N 1 0 363.199 2.239 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000157306515 545726239 /nfs/dbraw/zinc/72/62/39/545726239.db2.gz QFWBOVPZEVXOOU-DOMZBBRYSA-N 1 0 351.378 2.055 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000158643803 545880886 /nfs/dbraw/zinc/88/08/86/545880886.db2.gz RSSQIQFXOVQRNQ-CYBMUJFWSA-N 1 0 353.444 2.232 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158965239 545909109 /nfs/dbraw/zinc/90/91/09/545909109.db2.gz ZVWFJLBUQKGCGD-HNNXBMFYSA-N 1 0 367.471 2.074 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000159178659 545928550 /nfs/dbraw/zinc/92/85/50/545928550.db2.gz OHGIUKUZCLFSSC-OKILXGFUSA-N 1 0 365.455 2.190 20 5 FEBDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159399113 545950104 /nfs/dbraw/zinc/95/01/04/545950104.db2.gz RHJIWAJEEKSWHJ-OAHLLOKOSA-N 1 0 355.460 2.197 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)CC1 ZINC000159738069 545976444 /nfs/dbraw/zinc/97/64/44/545976444.db2.gz RWOMDYLNWMHYNN-UHFFFAOYSA-N 1 0 357.414 2.480 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000478459243 561167433 /nfs/dbraw/zinc/16/74/33/561167433.db2.gz YGVXTLKAYMVGAN-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160151374 546012575 /nfs/dbraw/zinc/01/25/75/546012575.db2.gz KPDHPPDFGHXZMB-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000162275735 546137230 /nfs/dbraw/zinc/13/72/30/546137230.db2.gz SCWHWNBUYMODMA-ZDUSSCGKSA-N 1 0 363.414 2.249 20 5 FEBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479539571 561191493 /nfs/dbraw/zinc/19/14/93/561191493.db2.gz KCYYIVYFMPABQW-YOEHRIQHSA-N 1 0 367.471 2.455 20 5 FEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000479875603 561198528 /nfs/dbraw/zinc/19/85/28/561198528.db2.gz RSGUIBKVUVRAMI-BMFZPTHFSA-N 1 0 358.442 2.123 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000175950972 546377557 /nfs/dbraw/zinc/37/75/57/546377557.db2.gz DMIXMMLZRQKKSR-UHFFFAOYSA-N 1 0 362.430 2.221 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000176373488 546437793 /nfs/dbraw/zinc/43/77/93/546437793.db2.gz OYKHLEGUOMYEAD-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000480443290 561209391 /nfs/dbraw/zinc/20/93/91/561209391.db2.gz DLACYIYDOVPIRY-UHFFFAOYSA-N 1 0 371.441 2.337 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000481016258 561223056 /nfs/dbraw/zinc/22/30/56/561223056.db2.gz ANXLCAXJJAKZRX-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO Nc1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178163018 546749128 /nfs/dbraw/zinc/74/91/28/546749128.db2.gz PVUSJOLWCSQZOU-UHFFFAOYSA-N 1 0 354.410 2.355 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481379478 561231667 /nfs/dbraw/zinc/23/16/67/561231667.db2.gz ZSOMTSZZCZAMCU-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000481627355 561237549 /nfs/dbraw/zinc/23/75/49/561237549.db2.gz RYWFHXNTIWHYEW-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000178926244 546875187 /nfs/dbraw/zinc/87/51/87/546875187.db2.gz ABUDMRGVSUMBSF-CJNGLKHVSA-N 1 0 353.444 2.008 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000481776268 561241820 /nfs/dbraw/zinc/24/18/20/561241820.db2.gz FTYXGOJOXUMPSU-UHFFFAOYSA-N 1 0 356.386 2.097 20 5 FEBDRO Cc1cnc(OCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000179271161 546923359 /nfs/dbraw/zinc/92/33/59/546923359.db2.gz OURGBPBFCWJCBW-MRXNPFEDSA-N 1 0 358.398 2.096 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000481829957 561243370 /nfs/dbraw/zinc/24/33/70/561243370.db2.gz MZBLZMMYPFELSH-SJLPKXTDSA-N 1 0 357.385 2.490 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179525971 546970811 /nfs/dbraw/zinc/97/08/11/546970811.db2.gz WODLEXGGUMHMTD-MRXNPFEDSA-N 1 0 367.471 2.027 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)C1CC1 ZINC000179981273 547035899 /nfs/dbraw/zinc/03/58/99/547035899.db2.gz NCHQWQXELVCDAW-IAGOWNOFSA-N 1 0 362.426 2.428 20 5 FEBDRO COC(=O)c1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])c1 ZINC000482364829 561253024 /nfs/dbraw/zinc/25/30/24/561253024.db2.gz JMVZYSOFBIAFFB-UHFFFAOYSA-N 1 0 358.354 2.090 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180103835 547052482 /nfs/dbraw/zinc/05/24/82/547052482.db2.gz LSRYTQRVKXNOCN-CZUORRHYSA-N 1 0 357.414 2.446 20 5 FEBDRO Cc1nccc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000482860237 561261606 /nfs/dbraw/zinc/26/16/06/561261606.db2.gz AFQIEARTHQWBMV-UHFFFAOYSA-N 1 0 367.413 2.282 20 5 FEBDRO COc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000483308528 561273805 /nfs/dbraw/zinc/27/38/05/561273805.db2.gz NMWVRPCJDFQCRX-UHFFFAOYSA-N 1 0 371.393 2.290 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000183191025 547618638 /nfs/dbraw/zinc/61/86/38/547618638.db2.gz KDQHBZTVQKGQBL-UHFFFAOYSA-N 1 0 358.324 2.344 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-n2cccn2)c1 ZINC000183567937 547682317 /nfs/dbraw/zinc/68/23/17/547682317.db2.gz RRVHACXGCMKEFM-CQSZACIVSA-N 1 0 353.382 2.293 20 5 FEBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183855598 547729398 /nfs/dbraw/zinc/72/93/98/547729398.db2.gz OKVLEBSIHNZHIW-UHFFFAOYSA-N 1 0 369.425 2.309 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184640576 547859404 /nfs/dbraw/zinc/85/94/04/547859404.db2.gz LBIHWAADZUUTFX-HNNXBMFYSA-N 1 0 363.462 2.359 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000184733922 547871889 /nfs/dbraw/zinc/87/18/89/547871889.db2.gz RFOZKWAVNNPNNL-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184863642 547889350 /nfs/dbraw/zinc/88/93/50/547889350.db2.gz QGZARKLZJWMEKI-ZDUSSCGKSA-N 1 0 357.374 2.292 20 5 FEBDRO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000184921783 547901320 /nfs/dbraw/zinc/90/13/20/547901320.db2.gz VHANRDYZNPPOFQ-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO CCC(CC)(C[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)OC ZINC000192704978 548371099 /nfs/dbraw/zinc/37/10/99/548371099.db2.gz LUPQJSFJHPAPAP-OAHLLOKOSA-N 1 0 363.414 2.269 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000194876900 548544120 /nfs/dbraw/zinc/54/41/20/548544120.db2.gz QEIPBCBPDVNPGF-WBVHZDCISA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487088229 561363347 /nfs/dbraw/zinc/36/33/47/561363347.db2.gz QNEQEBYNFFRYBY-TZMCWYRMSA-N 1 0 353.854 2.105 20 5 FEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1Br ZINC000236567330 548766886 /nfs/dbraw/zinc/76/68/86/548766886.db2.gz GQTBAQMKFHSSDT-ULKQDVFKSA-N 1 0 354.204 2.370 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237214786 548808728 /nfs/dbraw/zinc/80/87/28/548808728.db2.gz OCBOCZVSWKFQFY-SWLSCSKDSA-N 1 0 367.471 2.422 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440974 548922018 /nfs/dbraw/zinc/92/20/18/548922018.db2.gz VCWNVIPCCCETAP-XJKSGUPXSA-N 1 0 364.446 2.204 20 5 FEBDRO CN1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245663125 548969467 /nfs/dbraw/zinc/96/94/67/548969467.db2.gz QFMJIGDAELKLPM-DLBZAZTESA-N 1 0 361.423 2.319 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245742090 548985496 /nfs/dbraw/zinc/98/54/96/548985496.db2.gz FEDOAPYAXYIXQU-DZGCQCFKSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246556558 549161537 /nfs/dbraw/zinc/16/15/37/549161537.db2.gz KSTSXWQPPVSDHV-WBVHZDCISA-N 1 0 372.425 2.224 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246937495 549246955 /nfs/dbraw/zinc/24/69/55/549246955.db2.gz XIHKBYNPKMWYFW-YJBOKZPZSA-N 1 0 363.458 2.391 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246957585 549251812 /nfs/dbraw/zinc/25/18/12/549251812.db2.gz IKQVSAVFXJFUAI-DZGCQCFKSA-N 1 0 350.419 2.212 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247020186 549266193 /nfs/dbraw/zinc/26/61/93/549266193.db2.gz ZJXVNPXCRRYJQK-DCGLDWPTSA-N 1 0 363.414 2.431 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248053313 549404052 /nfs/dbraw/zinc/40/40/52/549404052.db2.gz WVFZPTOCOZOZFZ-NSHDSACASA-N 1 0 359.835 2.025 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000489304939 561407521 /nfs/dbraw/zinc/40/75/21/561407521.db2.gz JUYLJSHWQIKTBJ-AWEZNQCLSA-N 1 0 351.403 2.024 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000248990045 549536677 /nfs/dbraw/zinc/53/66/77/549536677.db2.gz HBGTUTHAWAOJTQ-QRQLOZEOSA-N 1 0 358.394 2.454 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249113879 549554969 /nfs/dbraw/zinc/55/49/69/549554969.db2.gz AZCKUXSTDJINEG-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000249709098 549617122 /nfs/dbraw/zinc/61/71/22/549617122.db2.gz SJECJCAAXNQLJZ-NWDGAFQWSA-N 1 0 359.423 2.133 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249832749 549632517 /nfs/dbraw/zinc/63/25/17/549632517.db2.gz PUXLQLUTHTVPGG-UYAOXDASSA-N 1 0 371.437 2.323 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261924237 549770033 /nfs/dbraw/zinc/77/00/33/549770033.db2.gz ZEDMQLKUZVQYMM-BETUJISGSA-N 1 0 367.833 2.475 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH2+]C)CC2)cc1OC ZINC000262148916 549793154 /nfs/dbraw/zinc/79/31/54/549793154.db2.gz YSEHFFSYBBZILN-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000491287522 561444488 /nfs/dbraw/zinc/44/44/88/561444488.db2.gz YTTMFTSTNLVUNR-LJQANCHMSA-N 1 0 374.416 2.389 20 5 FEBDRO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000268462431 550069743 /nfs/dbraw/zinc/06/97/43/550069743.db2.gz FKKBPFUVNQELMC-JQWIXIFHSA-N 1 0 373.251 2.034 20 5 FEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000269207268 550167684 /nfs/dbraw/zinc/16/76/84/550167684.db2.gz OKMVBQICFJVTPK-ZJUUUORDSA-N 1 0 356.220 2.475 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000493660426 561457455 /nfs/dbraw/zinc/45/74/55/561457455.db2.gz QYGSCWSVQJAUSF-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270274802 550258304 /nfs/dbraw/zinc/25/83/04/550258304.db2.gz WTQURRYKCYUPKL-CYBMUJFWSA-N 1 0 371.434 2.086 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000494005735 561460656 /nfs/dbraw/zinc/46/06/56/561460656.db2.gz CGQCXFHXIGIFNP-ZFWWWQNUSA-N 1 0 357.414 2.204 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000270798979 550308075 /nfs/dbraw/zinc/30/80/75/550308075.db2.gz ZCIFJZDSKAPGOM-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271026021 550333277 /nfs/dbraw/zinc/33/32/77/550333277.db2.gz OOVSTHDXVNJOKQ-UHFFFAOYSA-N 1 0 361.402 2.301 20 5 FEBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000271368854 550369403 /nfs/dbraw/zinc/36/94/03/550369403.db2.gz PAWCSKOUWKIOIS-OAHLLOKOSA-N 1 0 373.413 2.202 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000271846123 550405918 /nfs/dbraw/zinc/40/59/18/550405918.db2.gz QPPXFRZANXTOIS-LLVKDONJSA-N 1 0 368.393 2.063 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000273105229 550485062 /nfs/dbraw/zinc/48/50/62/550485062.db2.gz MXDQBCULFCXTCA-KRWDZBQOSA-N 1 0 369.421 2.400 20 5 FEBDRO CC[C@@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494495757 561470796 /nfs/dbraw/zinc/47/07/96/561470796.db2.gz OHMVKVCCJPQWQY-RHSMWYFYSA-N 1 0 364.446 2.012 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106657 550523129 /nfs/dbraw/zinc/52/31/29/550523129.db2.gz VJLRSFIQPGAVOQ-UTUOFQBUSA-N 1 0 367.402 2.108 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276767597 550593752 /nfs/dbraw/zinc/59/37/52/550593752.db2.gz HVRYASHYSFJWPV-KRWDZBQOSA-N 1 0 369.425 2.192 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CO)ccc1Oc1ccccc1Cl ZINC000276810330 550598661 /nfs/dbraw/zinc/59/86/61/550598661.db2.gz UZLYHIBNPQIRPF-GFCCVEGCSA-N 1 0 352.774 2.483 20 5 FEBDRO COC(=O)c1cnc(NC[C@@](C)([NH3+])Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000276825340 550600282 /nfs/dbraw/zinc/60/02/82/550600282.db2.gz ULLFTNYLGZKXTI-SFHVURJKSA-N 1 0 374.397 2.157 20 5 FEBDRO CC[NH+](CC)CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277241263 550646927 /nfs/dbraw/zinc/64/69/27/550646927.db2.gz PBBWEDRCRBVKIQ-UHFFFAOYSA-N 1 0 352.391 2.153 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(CC[NH+](C)C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000277311989 550654962 /nfs/dbraw/zinc/65/49/62/550654962.db2.gz VCURLQLTXVHKJM-UHFFFAOYSA-N 1 0 366.418 2.494 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000277547484 550683236 /nfs/dbraw/zinc/68/32/36/550683236.db2.gz IJXDNJKSLHCYGD-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000277709324 550704694 /nfs/dbraw/zinc/70/46/94/550704694.db2.gz WNLYEZIXOMVPSC-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754036 550710199 /nfs/dbraw/zinc/71/01/99/550710199.db2.gz RTRQPFSODYBJMU-GJZGRUSLSA-N 1 0 364.446 2.456 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000278310537 550771708 /nfs/dbraw/zinc/77/17/08/550771708.db2.gz SXAUJYXIBPFDIB-APPZFPTMSA-N 1 0 360.183 2.367 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278392701 550780466 /nfs/dbraw/zinc/78/04/66/550780466.db2.gz QKAXCYSCHSMYDJ-UHFFFAOYSA-N 1 0 351.378 2.103 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000278550260 550797993 /nfs/dbraw/zinc/79/79/93/550797993.db2.gz YXHAGTLZFCUEDN-HNNXBMFYSA-N 1 0 359.430 2.486 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799872 550823456 /nfs/dbraw/zinc/82/34/56/550823456.db2.gz XOQSTOYLTMVSHF-LRDDRELGSA-N 1 0 372.429 2.097 20 5 FEBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000279130793 550857374 /nfs/dbraw/zinc/85/73/74/550857374.db2.gz RAICHBWNOFIMKR-SJORKVTESA-N 1 0 369.425 2.446 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000279383536 550883833 /nfs/dbraw/zinc/88/38/33/550883833.db2.gz IEMLGZQTMIVGGB-LBPRGKRZSA-N 1 0 350.394 2.264 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc(C(F)(F)F)c1 ZINC000279428838 550889432 /nfs/dbraw/zinc/88/94/32/550889432.db2.gz GMZBWPQVPRRXAF-NSHDSACASA-N 1 0 352.334 2.280 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510485 550898440 /nfs/dbraw/zinc/89/84/40/550898440.db2.gz UHFULMJGAREVSF-FZMZJTMJSA-N 1 0 352.410 2.212 20 5 FEBDRO NC(=O)c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000280586486 551010423 /nfs/dbraw/zinc/01/04/23/551010423.db2.gz WNYBFLAMYVWPFP-CALCHBBNSA-N 1 0 366.421 2.262 20 5 FEBDRO C[N@@H+]1CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1(C)C ZINC000281773972 551141754 /nfs/dbraw/zinc/14/17/54/551141754.db2.gz ZWTJMXMOKDPTFH-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281892479 551153978 /nfs/dbraw/zinc/15/39/78/551153978.db2.gz YHRMJQWSOFADLY-UHFFFAOYSA-N 1 0 362.474 2.276 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506737 551239002 /nfs/dbraw/zinc/23/90/02/551239002.db2.gz ROCLMOAQJKZRIH-DXEWXGHRSA-N 1 0 364.398 2.157 20 5 FEBDRO CS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000497554944 561503692 /nfs/dbraw/zinc/50/36/92/561503692.db2.gz NWCJRJWYBWAOQD-LBPRGKRZSA-N 1 0 353.444 2.427 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282871543 551280408 /nfs/dbraw/zinc/28/04/08/551280408.db2.gz USYWBFKUQODFDB-HNNXBMFYSA-N 1 0 360.414 2.023 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000283464522 551370380 /nfs/dbraw/zinc/37/03/80/551370380.db2.gz VTWXUKAHLLDKFP-DOMZBBRYSA-N 1 0 360.414 2.103 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000498078188 561515656 /nfs/dbraw/zinc/51/56/56/561515656.db2.gz PFPCUSGSIVEUBC-LBPRGKRZSA-N 1 0 358.398 2.310 20 5 FEBDRO CN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271746 551512485 /nfs/dbraw/zinc/51/24/85/551512485.db2.gz MUXWWSDOZLCLJW-SJLPKXTDSA-N 1 0 354.410 2.229 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000284412466 551543835 /nfs/dbraw/zinc/54/38/35/551543835.db2.gz NYIUPZVFPMLVEO-BZNIZROVSA-N 1 0 362.405 2.405 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500935 561526086 /nfs/dbraw/zinc/52/60/86/561526086.db2.gz ZQBDZXCLXFULMF-NDMJEZRESA-N 1 0 368.821 2.080 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000498582585 561529508 /nfs/dbraw/zinc/52/95/08/561529508.db2.gz DHONXYPGMOSHMI-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO CCOc1cc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000498709904 561532342 /nfs/dbraw/zinc/53/23/42/561532342.db2.gz MOYXJRJOWYEFCE-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285165474 551713895 /nfs/dbraw/zinc/71/38/95/551713895.db2.gz ATCPQXFBELHSDJ-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285190351 551718293 /nfs/dbraw/zinc/71/82/93/551718293.db2.gz CIVOREYVOIUYFN-TZMCWYRMSA-N 1 0 353.444 2.151 20 5 FEBDRO CCC[C@@H](C)N(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498826983 561535276 /nfs/dbraw/zinc/53/52/76/561535276.db2.gz CXFFCOLIRUJYLH-CYBMUJFWSA-N 1 0 372.491 2.060 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000498885163 561536903 /nfs/dbraw/zinc/53/69/03/561536903.db2.gz WWRRTEFVHSZENZ-CYBMUJFWSA-N 1 0 355.460 2.087 20 5 FEBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000286009919 551837968 /nfs/dbraw/zinc/83/79/68/551837968.db2.gz JGASZGCZBCULGA-SFHVURJKSA-N 1 0 373.409 2.401 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286750514 551922086 /nfs/dbraw/zinc/92/20/86/551922086.db2.gz PBWLIKQPWBEKRX-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO CC(=O)c1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000287146339 551969164 /nfs/dbraw/zinc/96/91/64/551969164.db2.gz GAXSCEYZEVCLGF-QGZVFWFLSA-N 1 0 360.458 2.404 20 5 FEBDRO O=C([C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1)N1CCCC1 ZINC000287264047 551982919 /nfs/dbraw/zinc/98/29/19/551982919.db2.gz HKAVXZPRKCZPNV-CQSZACIVSA-N 1 0 371.397 2.089 20 5 FEBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498502 552011923 /nfs/dbraw/zinc/01/19/23/552011923.db2.gz ULSNAUFEYPSECU-DGCLKSJQSA-N 1 0 353.806 2.183 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287678789 552033363 /nfs/dbraw/zinc/03/33/63/552033363.db2.gz CHTNZOBYBCIXIK-UHFFFAOYSA-N 1 0 353.448 2.394 20 5 FEBDRO CN(CCN1CCOC(C)(C)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287843330 552053698 /nfs/dbraw/zinc/05/36/98/552053698.db2.gz RQGQAZVOJNVBCZ-UHFFFAOYSA-N 1 0 351.432 2.147 20 5 FEBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289474081 552327165 /nfs/dbraw/zinc/32/71/65/552327165.db2.gz XHIJOUAORNOIHG-CVEARBPZSA-N 1 0 351.357 2.105 20 5 FEBDRO C[NH+](C)CCN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289528734 552336051 /nfs/dbraw/zinc/33/60/51/552336051.db2.gz CWSSFDOFSSHPBM-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500466296 561573941 /nfs/dbraw/zinc/57/39/41/561573941.db2.gz WZCBJTGTIMURCJ-QSNQCMLGSA-N 1 0 367.471 2.306 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289746661 552372065 /nfs/dbraw/zinc/37/20/65/552372065.db2.gz FDEKVRCJBXMHGW-HNNXBMFYSA-N 1 0 373.413 2.384 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290152987 552435476 /nfs/dbraw/zinc/43/54/76/552435476.db2.gz NIOKYEBWGXBYLO-JKSUJKDBSA-N 1 0 361.445 2.223 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000290241525 552447348 /nfs/dbraw/zinc/44/73/48/552447348.db2.gz ZOAGAUBEZGWJSJ-SNVBAGLBSA-N 1 0 364.370 2.111 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290489682 552487610 /nfs/dbraw/zinc/48/76/10/552487610.db2.gz SYJXVGABXYLTDX-CYBMUJFWSA-N 1 0 350.419 2.078 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290687227 552520049 /nfs/dbraw/zinc/52/00/49/552520049.db2.gz RBHULCFGTKHTHX-UHFFFAOYSA-N 1 0 361.446 2.032 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000291622872 552644634 /nfs/dbraw/zinc/64/46/34/552644634.db2.gz UEXZHRZPTSVEHO-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291730577 552655643 /nfs/dbraw/zinc/65/56/43/552655643.db2.gz JOTTYQNCUSLVJM-FQEVSTJZSA-N 1 0 371.437 2.074 20 5 FEBDRO C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C[NH+](C)C ZINC000291805116 552663659 /nfs/dbraw/zinc/66/36/59/552663659.db2.gz JTOQSUNBMOJNFR-NSHDSACASA-N 1 0 365.821 2.404 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293407184 552820208 /nfs/dbraw/zinc/82/02/08/552820208.db2.gz MYCKDJISIKTYDK-WMLDXEAASA-N 1 0 358.442 2.409 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000293479781 552828044 /nfs/dbraw/zinc/82/80/44/552828044.db2.gz YBDMSJKWRQJYLY-MRXNPFEDSA-N 1 0 357.410 2.459 20 5 FEBDRO Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000295130473 552961636 /nfs/dbraw/zinc/96/16/36/552961636.db2.gz YAYZEHBGBFJLEG-INIZCTEOSA-N 1 0 357.414 2.396 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000295658485 553040498 /nfs/dbraw/zinc/04/04/98/553040498.db2.gz BLOZVSOSUOIHKR-DTWKUNHWSA-N 1 0 362.308 2.022 20 5 FEBDRO C[C@H]1[C@H](N2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749860 553053974 /nfs/dbraw/zinc/05/39/74/553053974.db2.gz ZPKXGPBMZPFGIV-GXTWGEPZSA-N 1 0 353.444 2.061 20 5 FEBDRO CC(C)(C)OC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@@](C)(F)C1 ZINC000295798302 553060162 /nfs/dbraw/zinc/06/01/62/553060162.db2.gz VTXZNSOTDQRAEC-MRXNPFEDSA-N 1 0 371.413 2.072 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000295862963 553069150 /nfs/dbraw/zinc/06/91/50/553069150.db2.gz DYUOKLHZHSGEML-QAPCUYQASA-N 1 0 362.426 2.226 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000502328410 561616313 /nfs/dbraw/zinc/61/63/13/561616313.db2.gz WFUMFJIMYRRINX-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000296055652 553097089 /nfs/dbraw/zinc/09/70/89/553097089.db2.gz PYVLYXULXQOWQC-UHFFFAOYSA-N 1 0 364.409 2.498 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000297063050 553248881 /nfs/dbraw/zinc/24/88/81/553248881.db2.gz JAQHJQAXKRIWPY-AWEZNQCLSA-N 1 0 372.425 2.310 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000297523901 553303844 /nfs/dbraw/zinc/30/38/44/553303844.db2.gz XIGXHALQENXMEG-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000297861677 553349211 /nfs/dbraw/zinc/34/92/11/553349211.db2.gz IACQJTRUMCDOGD-ZBFHGGJFSA-N 1 0 364.446 2.110 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000297939388 553359983 /nfs/dbraw/zinc/35/99/83/553359983.db2.gz RVPRZPZTIBFBIP-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000298292070 553408774 /nfs/dbraw/zinc/40/87/74/553408774.db2.gz JDQIKMIUURDLNO-CQSZACIVSA-N 1 0 359.386 2.321 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000298393408 553419941 /nfs/dbraw/zinc/41/99/41/553419941.db2.gz DWKIEMGLQOTCQE-UHFFFAOYSA-N 1 0 355.398 2.297 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000298425610 553423797 /nfs/dbraw/zinc/42/37/97/553423797.db2.gz PTQNETHWQRXXJH-MRXNPFEDSA-N 1 0 358.398 2.004 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000298908493 553488093 /nfs/dbraw/zinc/48/80/93/553488093.db2.gz BGFROBCESYCOJB-UHFFFAOYSA-N 1 0 364.446 2.477 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000299210400 553531302 /nfs/dbraw/zinc/53/13/02/553531302.db2.gz GTVLPJOUVLDFGJ-IBGZPJMESA-N 1 0 374.441 2.094 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299271098 553540272 /nfs/dbraw/zinc/54/02/72/553540272.db2.gz UPQZMMCQDKLWPN-UHFFFAOYSA-N 1 0 360.414 2.098 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299461056 553566663 /nfs/dbraw/zinc/56/66/63/553566663.db2.gz XKGSWKBZKXSABY-SNVBAGLBSA-N 1 0 356.810 2.032 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000299598340 553587019 /nfs/dbraw/zinc/58/70/19/553587019.db2.gz GXQOAURDDXIFQO-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000299668918 553600639 /nfs/dbraw/zinc/60/06/39/553600639.db2.gz MCNVRAKXHKRMHE-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300127806 553617256 /nfs/dbraw/zinc/61/72/56/553617256.db2.gz HOXQGZRYBXRNLX-VHSXEESVSA-N 1 0 357.208 2.027 20 5 FEBDRO CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000301092362 553621039 /nfs/dbraw/zinc/62/10/39/553621039.db2.gz NDSCMIZGAUXXAR-UHFFFAOYSA-N 1 0 369.425 2.338 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000301173283 553628617 /nfs/dbraw/zinc/62/86/17/553628617.db2.gz FFXNVYICDPKSHP-UHFFFAOYSA-N 1 0 355.398 2.471 20 5 FEBDRO C[NH+](C)CCn1cc(Nc2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000301670429 553670563 /nfs/dbraw/zinc/67/05/63/553670563.db2.gz FEQAKCXHLQNIMP-UHFFFAOYSA-N 1 0 355.196 2.254 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301710450 553673551 /nfs/dbraw/zinc/67/35/51/553673551.db2.gz XMYIIELIWYIOFA-NSHDSACASA-N 1 0 372.267 2.190 20 5 FEBDRO C[C@](O)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CN1CCOCC1 ZINC000301738079 553676043 /nfs/dbraw/zinc/67/60/43/553676043.db2.gz CJQAWNXPEPVDMT-AWEZNQCLSA-N 1 0 363.336 2.109 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301833702 553683334 /nfs/dbraw/zinc/68/33/34/553683334.db2.gz JUQZTEVPINGPBS-NSHDSACASA-N 1 0 372.267 2.190 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000302269601 553713494 /nfs/dbraw/zinc/71/34/94/553713494.db2.gz RQHBJBXQIOHDAP-UHFFFAOYSA-N 1 0 351.407 2.331 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000505614328 561675307 /nfs/dbraw/zinc/67/53/07/561675307.db2.gz SXYSJYVYQHBDCD-MRXNPFEDSA-N 1 0 357.414 2.131 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324215869 553771581 /nfs/dbraw/zinc/77/15/81/553771581.db2.gz QMIYRAVMFJXDBF-ZIAGYGMSSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000326277572 553779584 /nfs/dbraw/zinc/77/95/84/553779584.db2.gz BHYDSCNDQYWRRU-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO [NH3+]CCC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000327640113 553790106 /nfs/dbraw/zinc/79/01/06/553790106.db2.gz BKNFJZOKCKQSKH-KRWDZBQOSA-N 1 0 363.439 2.494 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000330433523 554121257 /nfs/dbraw/zinc/12/12/57/554121257.db2.gz XNTCURDAKLHXRN-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000330433053 554121356 /nfs/dbraw/zinc/12/13/56/554121356.db2.gz KRIOVOYZAWEKKU-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000330485989 554127940 /nfs/dbraw/zinc/12/79/40/554127940.db2.gz CUSGDAJKXVQRAC-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000330773915 554169391 /nfs/dbraw/zinc/16/93/91/554169391.db2.gz XRIFPLRAGFSJOE-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331052507 554206924 /nfs/dbraw/zinc/20/69/24/554206924.db2.gz YUUIYIQXNCPLGI-GFCCVEGCSA-N 1 0 361.851 2.399 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000331066689 554208617 /nfs/dbraw/zinc/20/86/17/554208617.db2.gz GEWZWAAHGGGFNL-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCOc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000331129151 554217954 /nfs/dbraw/zinc/21/79/54/554217954.db2.gz INVDSCFPLKQNLU-OAHLLOKOSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331176493 554225957 /nfs/dbraw/zinc/22/59/57/554225957.db2.gz KEUMPOSVASZSPY-MAZHCROVSA-N 1 0 355.460 2.414 20 5 FEBDRO COc1cc(C[NH2+]Cc2ccccc2Cn2cncn2)c([N+](=O)[O-])cc1O ZINC000508738932 561771221 /nfs/dbraw/zinc/77/12/21/561771221.db2.gz HZMUMYCHRDMMHV-UHFFFAOYSA-N 1 0 369.381 2.239 20 5 FEBDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331739747 554319558 /nfs/dbraw/zinc/31/95/58/554319558.db2.gz FFERBSSXXJRYKU-NSHDSACASA-N 1 0 372.351 2.423 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000331908194 554344384 /nfs/dbraw/zinc/34/43/84/554344384.db2.gz MPYZISQFNIRFLP-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954520 554351946 /nfs/dbraw/zinc/35/19/46/554351946.db2.gz TURKYNMQALGJDW-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000332080832 554375624 /nfs/dbraw/zinc/37/56/24/554375624.db2.gz KOMHZUZNXJBGML-DZGCQCFKSA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000511314450 561864789 /nfs/dbraw/zinc/86/47/89/561864789.db2.gz NMIIMGRYMRMUAF-CYBMUJFWSA-N 1 0 369.425 2.376 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1cccs1 ZINC000361390542 554920443 /nfs/dbraw/zinc/92/04/43/554920443.db2.gz GVEOTMPGYCIAAA-HZMBPMFUSA-N 1 0 362.411 2.180 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361584351 554926018 /nfs/dbraw/zinc/92/60/18/554926018.db2.gz YUFXXJDQZBREMW-GOSISDBHSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000361953528 554940462 /nfs/dbraw/zinc/94/04/62/554940462.db2.gz AGRVETMKDHXORM-AWEZNQCLSA-N 1 0 363.414 2.290 20 5 FEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000511650444 561876214 /nfs/dbraw/zinc/87/62/14/561876214.db2.gz WJVVKSMNZFSJQF-QHEVRDBASA-N 1 0 373.409 2.248 20 5 FEBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000363216314 555056126 /nfs/dbraw/zinc/05/61/26/555056126.db2.gz LDEMHDWDTGKOBI-UHFFFAOYSA-N 1 0 369.425 2.109 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363259323 555066420 /nfs/dbraw/zinc/06/64/20/555066420.db2.gz NBLBYRMDASOODF-NUEKZKHPSA-N 1 0 365.455 2.008 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363343223 555081638 /nfs/dbraw/zinc/08/16/38/555081638.db2.gz PPVPWQDARHYWMR-CYBMUJFWSA-N 1 0 351.378 2.200 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000363372806 555088474 /nfs/dbraw/zinc/08/84/74/555088474.db2.gz VQRWWFMCBFFMJW-UHFFFAOYSA-N 1 0 371.441 2.189 20 5 FEBDRO Cc1cnn(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000363667528 555159653 /nfs/dbraw/zinc/15/96/53/555159653.db2.gz WZYBYLMFWDFNHE-KRWDZBQOSA-N 1 0 360.414 2.177 20 5 FEBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711458 555169583 /nfs/dbraw/zinc/16/95/83/555169583.db2.gz JIBLHSVZCKSPMD-ACJLOTCBSA-N 1 0 372.381 2.420 20 5 FEBDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054583 555241691 /nfs/dbraw/zinc/24/16/91/555241691.db2.gz JEFFINPKXRSEPH-UGFHNGPFSA-N 1 0 371.397 2.263 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1C ZINC000364179765 555264199 /nfs/dbraw/zinc/26/41/99/555264199.db2.gz HAHUVEBALGSGDS-HOTGVXAUSA-N 1 0 353.444 2.104 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364328290 555292150 /nfs/dbraw/zinc/29/21/50/555292150.db2.gz MPBMJDSEOMYPLI-OAHLLOKOSA-N 1 0 364.450 2.014 20 5 FEBDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593338 555347818 /nfs/dbraw/zinc/34/78/18/555347818.db2.gz YMXADXWWIKBGDV-JKSUJKDBSA-N 1 0 373.409 2.191 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000365048965 555472981 /nfs/dbraw/zinc/47/29/81/555472981.db2.gz XGAFCKYUPNHYSV-HOTGVXAUSA-N 1 0 350.415 2.083 20 5 FEBDRO Cn1nccc1[C@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163018 555499170 /nfs/dbraw/zinc/49/91/70/555499170.db2.gz NBLOSKRXFXPBPB-KBXCAEBGSA-N 1 0 369.425 2.313 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365220036 555514121 /nfs/dbraw/zinc/51/41/21/555514121.db2.gz LGQPDVYHUIWHKL-OAHLLOKOSA-N 1 0 370.409 2.337 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000365251827 555523105 /nfs/dbraw/zinc/52/31/05/555523105.db2.gz YYRQDAYMPVAGSV-ZDUSSCGKSA-N 1 0 358.398 2.432 20 5 FEBDRO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000366478517 555855986 /nfs/dbraw/zinc/85/59/86/555855986.db2.gz FCCOHQOFPLFMNW-JSGCOSHPSA-N 1 0 371.418 2.418 20 5 FEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366578927 555881895 /nfs/dbraw/zinc/88/18/95/555881895.db2.gz QKFDSSAGIKXIGI-RDTXWAMCSA-N 1 0 363.414 2.193 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000366700617 555912345 /nfs/dbraw/zinc/91/23/45/555912345.db2.gz XMSXTBLFXZTCDH-GASCZTMLSA-N 1 0 357.414 2.104 20 5 FEBDRO Cc1ccn(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000366764130 555928128 /nfs/dbraw/zinc/92/81/28/555928128.db2.gz UDZAPRIBOBPHFT-INIZCTEOSA-N 1 0 360.414 2.177 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367296659 556010963 /nfs/dbraw/zinc/01/09/63/556010963.db2.gz RNCBJURLCUXUQN-INIZCTEOSA-N 1 0 366.849 2.162 20 5 FEBDRO CNc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000514770105 561978361 /nfs/dbraw/zinc/97/83/61/561978361.db2.gz LADNNSHKLDIESK-MRXNPFEDSA-N 1 0 370.409 2.455 20 5 FEBDRO O=C([C@H]1CC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2)N1CCCC1 ZINC000367557977 556082603 /nfs/dbraw/zinc/08/26/03/556082603.db2.gz WCEMLVGNVSUNGE-MSOLQXFVSA-N 1 0 373.453 2.353 20 5 FEBDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856326 561983494 /nfs/dbraw/zinc/98/34/94/561983494.db2.gz XVPFQXOXUQBASB-PBHICJAKSA-N 1 0 362.430 2.428 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000367883696 556164202 /nfs/dbraw/zinc/16/42/02/556164202.db2.gz CZQZPOSQLKKEBF-ZBFHGGJFSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367909057 556169936 /nfs/dbraw/zinc/16/99/36/556169936.db2.gz WTYBOJUWZIZLPA-GXTWGEPZSA-N 1 0 362.386 2.416 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367917561 556171923 /nfs/dbraw/zinc/17/19/23/556171923.db2.gz MTLMBJHQLXWYOP-CABCVRRESA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000368037856 556200923 /nfs/dbraw/zinc/20/09/23/556200923.db2.gz UJOPXDOHCFYIHA-CQSZACIVSA-N 1 0 361.398 2.414 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000515100114 561996505 /nfs/dbraw/zinc/99/65/05/561996505.db2.gz BQJYOAWZSXPVAQ-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368235859 556255285 /nfs/dbraw/zinc/25/52/85/556255285.db2.gz QYUCPARWYKUBRR-WBVHZDCISA-N 1 0 350.415 2.083 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]2[C@H]1c1ccccc1 ZINC000368472159 556319620 /nfs/dbraw/zinc/31/96/20/556319620.db2.gz ZBVVLVHSGOGMGA-SPYBWZPUSA-N 1 0 364.409 2.377 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368692218 556386517 /nfs/dbraw/zinc/38/65/17/556386517.db2.gz MFQRWYVJYHXCDA-SJORKVTESA-N 1 0 355.442 2.282 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000368806894 556418384 /nfs/dbraw/zinc/41/83/84/556418384.db2.gz UGDRSPJZDKHYCV-UHFFFAOYSA-N 1 0 363.443 2.024 20 5 FEBDRO Cc1nc(N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000515594480 562016359 /nfs/dbraw/zinc/01/63/59/562016359.db2.gz HMUYQZSSDIUBEN-MRXNPFEDSA-N 1 0 356.430 2.094 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000369002179 556472744 /nfs/dbraw/zinc/47/27/44/556472744.db2.gz MRBXVCBGXQKJJY-VXGBXAGGSA-N 1 0 351.432 2.217 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COCc3cccs3)C2)c1 ZINC000369020329 556478394 /nfs/dbraw/zinc/47/83/94/556478394.db2.gz WQRMFNICTULHIP-DZGCQCFKSA-N 1 0 366.443 2.067 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000515756280 562021093 /nfs/dbraw/zinc/02/10/93/562021093.db2.gz VDHDTJZTIDYHQI-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369064962 556494263 /nfs/dbraw/zinc/49/42/63/556494263.db2.gz OAXDMCNMQARGJK-UHFFFAOYSA-N 1 0 360.458 2.113 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309786 556571005 /nfs/dbraw/zinc/57/10/05/556571005.db2.gz IAUMMTAHGMKKQB-KBOKABMXSA-N 1 0 372.469 2.094 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369669370 556664123 /nfs/dbraw/zinc/66/41/23/556664123.db2.gz ZOXUWLPXDLPHMH-RYQLBKOJSA-N 1 0 358.442 2.263 20 5 FEBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818462 556703507 /nfs/dbraw/zinc/70/35/07/556703507.db2.gz HBCBTRYYMLDKGO-QAPCUYQASA-N 1 0 371.441 2.450 20 5 FEBDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369996612 556752343 /nfs/dbraw/zinc/75/23/43/556752343.db2.gz FCGZYFYDNOSXOP-SFHVURJKSA-N 1 0 363.462 2.294 20 5 FEBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147945 556794339 /nfs/dbraw/zinc/79/43/39/556794339.db2.gz HLTBPTDJCCXINX-PBHICJAKSA-N 1 0 373.457 2.194 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502917 556892863 /nfs/dbraw/zinc/89/28/63/556892863.db2.gz LZPTWJBEKLUCSG-INIZCTEOSA-N 1 0 355.394 2.493 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000370724907 556950452 /nfs/dbraw/zinc/95/04/52/556950452.db2.gz NKQPOGLVPAPDLS-CYBMUJFWSA-N 1 0 367.471 2.236 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370796781 556971553 /nfs/dbraw/zinc/97/15/53/556971553.db2.gz WBZCZHJOZZVEKC-CQSZACIVSA-N 1 0 369.425 2.362 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370899914 557008188 /nfs/dbraw/zinc/00/81/88/557008188.db2.gz QITZNHHTBNUCOO-QGZVFWFLSA-N 1 0 374.441 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370908243 557010840 /nfs/dbraw/zinc/01/08/40/557010840.db2.gz AOXKPKCGJLQMDQ-KDOFPFPSSA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915702 557014628 /nfs/dbraw/zinc/01/46/28/557014628.db2.gz DCFXDMZCGSLTNN-RDTXWAMCSA-N 1 0 371.441 2.450 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000371083580 557069561 /nfs/dbraw/zinc/06/95/61/557069561.db2.gz CQWWGETXCCICAF-BDJLRTHQSA-N 1 0 366.805 2.058 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4ccsc4)CC3)nn21 ZINC000371343554 557153766 /nfs/dbraw/zinc/15/37/66/557153766.db2.gz FSQXLODPCNIZHJ-UHFFFAOYSA-N 1 0 358.427 2.776 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] ZINC000371479280 557194198 /nfs/dbraw/zinc/19/41/98/557194198.db2.gz FLWHXLZUANMQDU-VEVIJQCQSA-N 1 0 360.414 2.274 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000517619458 562093917 /nfs/dbraw/zinc/09/39/17/562093917.db2.gz HJYRSWPMXIJMRW-CQSZACIVSA-N 1 0 363.393 2.442 20 5 FEBDRO COc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000517822342 562098678 /nfs/dbraw/zinc/09/86/78/562098678.db2.gz WZIUDQZNUPFENN-INIZCTEOSA-N 1 0 373.413 2.284 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000518017102 562102643 /nfs/dbraw/zinc/10/26/43/562102643.db2.gz WEWFZVPMNZHCQG-CQSZACIVSA-N 1 0 362.430 2.420 20 5 FEBDRO CC(C)[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034997 562123744 /nfs/dbraw/zinc/12/37/44/562123744.db2.gz IPOCOYJLKYHJSW-WMLDXEAASA-N 1 0 370.471 2.409 20 5 FEBDRO O=C1NC[C@@]2(CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)O1 ZINC000372617210 557522216 /nfs/dbraw/zinc/52/22/16/557522216.db2.gz GKZLLSZECASTDT-GOSISDBHSA-N 1 0 372.381 2.367 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000519658390 562138821 /nfs/dbraw/zinc/13/88/21/562138821.db2.gz WBQHXKBRFWGPNO-ZDUSSCGKSA-N 1 0 369.437 2.221 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)CCc3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373230260 557654454 /nfs/dbraw/zinc/65/44/54/557654454.db2.gz QBUDXMIOAIYSJH-UHFFFAOYSA-N 1 0 357.414 2.629 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(F)cc3)C2)c1 ZINC000373585153 557723375 /nfs/dbraw/zinc/72/33/75/557723375.db2.gz NCPZIGSZYOTGEA-HOCLYGCPSA-N 1 0 364.377 2.007 20 5 FEBDRO CCOC(=O)C1(COC)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373790676 557759794 /nfs/dbraw/zinc/75/97/94/557759794.db2.gz HIFZCMALBXFEIF-UHFFFAOYSA-N 1 0 350.415 2.429 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000373804150 557762618 /nfs/dbraw/zinc/76/26/18/557762618.db2.gz GQXCWSOMYCJFES-AEFFLSMTSA-N 1 0 363.414 2.193 20 5 FEBDRO Cc1nn(CCC(=O)N2CCCC3(CC[NH+](C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC000374116569 557826232 /nfs/dbraw/zinc/82/62/32/557826232.db2.gz YXLNPGIGODLKAF-UHFFFAOYSA-N 1 0 363.462 2.133 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000374632552 557909638 /nfs/dbraw/zinc/90/96/38/557909638.db2.gz RRTJKAWKUUDGFF-YUTCNCBUSA-N 1 0 363.414 2.202 20 5 FEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2C1 ZINC000521214542 562171909 /nfs/dbraw/zinc/17/19/09/562171909.db2.gz DSFQJAPKMCWUJV-CQSZACIVSA-N 1 0 367.409 2.396 20 5 FEBDRO CC[NH+]1CCC(N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000375004414 557962906 /nfs/dbraw/zinc/96/29/06/557962906.db2.gz JVAKOZVQPSSINN-UHFFFAOYSA-N 1 0 372.469 2.433 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375010343 557963699 /nfs/dbraw/zinc/96/36/99/557963699.db2.gz APZYLWIHIHNSGP-JFIYKMOQSA-N 1 0 364.442 2.473 20 5 FEBDRO CCOc1cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000375430135 558025857 /nfs/dbraw/zinc/02/58/57/558025857.db2.gz WFZIAWLOHBYZPD-DLBZAZTESA-N 1 0 363.458 2.415 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000375494729 558037226 /nfs/dbraw/zinc/03/72/26/558037226.db2.gz LSMZXCLCULXJBD-CQSZACIVSA-N 1 0 363.458 2.421 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000375617613 558057707 /nfs/dbraw/zinc/05/77/07/558057707.db2.gz JLJBDYZRXADZSV-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375701085 558069839 /nfs/dbraw/zinc/06/98/39/558069839.db2.gz ALTUEWFRUCSMII-UHFFFAOYSA-N 1 0 363.414 2.481 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000375894226 558095370 /nfs/dbraw/zinc/09/53/70/558095370.db2.gz XKWBTVXDFCGKKO-SJORKVTESA-N 1 0 370.365 2.331 20 5 FEBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000375966439 558106355 /nfs/dbraw/zinc/10/63/55/558106355.db2.gz ZVLMEOIWYDMYIO-UHFFFAOYSA-N 1 0 364.365 2.074 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000376084059 558124614 /nfs/dbraw/zinc/12/46/14/558124614.db2.gz WJPKHYFWEVJDTH-UHFFFAOYSA-N 1 0 362.430 2.397 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376296677 558153939 /nfs/dbraw/zinc/15/39/39/558153939.db2.gz RMIZBRYMEQTUOU-UKRRQHHQSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376345287 558160839 /nfs/dbraw/zinc/16/08/39/558160839.db2.gz ZQQSBPJLORJOQB-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H](O)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000521874891 562185398 /nfs/dbraw/zinc/18/53/98/562185398.db2.gz GTKBIXREAPTSHZ-XAYKYTGQSA-N 1 0 364.373 2.185 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000522168058 562193222 /nfs/dbraw/zinc/19/32/22/562193222.db2.gz ZTOPBKSHORXPQP-CQSZACIVSA-N 1 0 357.414 2.241 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](n3cncn3)C2)ccc1Br ZINC000377282057 558305782 /nfs/dbraw/zinc/30/57/82/558305782.db2.gz ARTMBIXYONSHOV-LLVKDONJSA-N 1 0 352.192 2.396 20 5 FEBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000377814387 558425582 /nfs/dbraw/zinc/42/55/82/558425582.db2.gz NQTBNXVBRXWIEF-UXLLHSPISA-N 1 0 369.425 2.012 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000523318484 562210993 /nfs/dbraw/zinc/21/09/93/562210993.db2.gz AVFVUKVEKSRLLZ-UHFFFAOYSA-N 1 0 351.451 2.069 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000378345117 558534876 /nfs/dbraw/zinc/53/48/76/558534876.db2.gz HFZKAGMHOFHUBI-AWEZNQCLSA-N 1 0 361.446 2.227 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000523905357 562221458 /nfs/dbraw/zinc/22/14/58/562221458.db2.gz OVKHKXFWDUUZJR-AWEZNQCLSA-N 1 0 350.419 2.133 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000404372797 558631414 /nfs/dbraw/zinc/63/14/14/558631414.db2.gz SBDNUYGZKHFGQX-WCQYABFASA-N 1 0 351.403 2.202 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000404983451 558631878 /nfs/dbraw/zinc/63/18/78/558631878.db2.gz HERINIHZQLWMCK-SNVBAGLBSA-N 1 0 366.219 2.464 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000409720257 558716664 /nfs/dbraw/zinc/71/66/64/558716664.db2.gz HXLBZOZWFCNSBR-CYBMUJFWSA-N 1 0 355.822 2.071 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000525323816 562246139 /nfs/dbraw/zinc/24/61/39/562246139.db2.gz OZOYHFPTYXPCPM-AWEZNQCLSA-N 1 0 351.451 2.345 20 5 FEBDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411803131 558966477 /nfs/dbraw/zinc/96/64/77/558966477.db2.gz FAWUKAGRNKODOW-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411972792 558997781 /nfs/dbraw/zinc/99/77/81/558997781.db2.gz OKTWTWXYNZJGSE-CVEARBPZSA-N 1 0 355.394 2.304 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1F ZINC000412038852 559005366 /nfs/dbraw/zinc/00/53/66/559005366.db2.gz JCYIVFLZZDPVBY-CYBMUJFWSA-N 1 0 365.405 2.372 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413124113 559080617 /nfs/dbraw/zinc/08/06/17/559080617.db2.gz NWKKNRIOADJZPN-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000413152950 559083555 /nfs/dbraw/zinc/08/35/55/559083555.db2.gz JNIBNHXXZVJZBC-YOEHRIQHSA-N 1 0 360.389 2.424 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000526492556 562268190 /nfs/dbraw/zinc/26/81/90/562268190.db2.gz DPQVZKCUKFWAIF-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414273027 559154773 /nfs/dbraw/zinc/15/47/73/559154773.db2.gz XYICZSPGCSVPTL-GFCCVEGCSA-N 1 0 371.459 2.115 20 5 FEBDRO COc1cc(CNC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414831846 559190059 /nfs/dbraw/zinc/19/00/59/559190059.db2.gz QAPZDBQNDZXWAJ-LLVKDONJSA-N 1 0 359.373 2.337 20 5 FEBDRO COc1cc(CN[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940992 559196258 /nfs/dbraw/zinc/19/62/58/559196258.db2.gz CGEFOKKVGKGJSM-PWSUYJOCSA-N 1 0 359.373 2.477 20 5 FEBDRO C[NH2+]Cc1ccc(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC000414974802 559198256 /nfs/dbraw/zinc/19/82/56/559198256.db2.gz KSKHRFQDBHDYKD-UHFFFAOYSA-N 1 0 359.382 2.478 20 5 FEBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000415425627 559234674 /nfs/dbraw/zinc/23/46/74/559234674.db2.gz LJRVZPASJCYGIM-AWEZNQCLSA-N 1 0 368.821 2.211 20 5 FEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415493876 559243166 /nfs/dbraw/zinc/24/31/66/559243166.db2.gz DFCVGVVKCGTWQO-LBPRGKRZSA-N 1 0 356.810 2.019 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415505935 559244876 /nfs/dbraw/zinc/24/48/76/559244876.db2.gz RAAJYWPXDKKLED-GOEBONIOSA-N 1 0 356.382 2.481 20 5 FEBDRO Cc1c(NC(=O)N2CC[NH2+][C@@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415650172 559258136 /nfs/dbraw/zinc/25/81/36/559258136.db2.gz FJYGJCIWOSXTFR-QMMMGPOBSA-N 1 0 357.208 2.491 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415965601 559285325 /nfs/dbraw/zinc/28/53/25/559285325.db2.gz ANNQRMCHKINPCI-UHFFFAOYSA-N 1 0 356.382 2.441 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000416511104 559318838 /nfs/dbraw/zinc/31/88/38/559318838.db2.gz ZQAWJSCTJMYMBX-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304428 559356712 /nfs/dbraw/zinc/35/67/12/559356712.db2.gz CDGSPDPVUSSVCZ-GUYCJALGSA-N 1 0 367.471 2.233 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716046 559373706 /nfs/dbraw/zinc/37/37/06/559373706.db2.gz LBFZDUFCQNQVSE-GJZGRUSLSA-N 1 0 363.462 2.332 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417719581 559373802 /nfs/dbraw/zinc/37/38/02/559373802.db2.gz QLVRSSXUIUMKRG-HUUCEWRRSA-N 1 0 363.462 2.393 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417724849 559374143 /nfs/dbraw/zinc/37/41/43/559374143.db2.gz ZJXKBHSANTWZIF-OAHLLOKOSA-N 1 0 361.446 2.241 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417995872 559385826 /nfs/dbraw/zinc/38/58/26/559385826.db2.gz RZBOOHPDHCVCLM-LSDHHAIUSA-N 1 0 366.849 2.478 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418082479 559389637 /nfs/dbraw/zinc/38/96/37/559389637.db2.gz JFNTWZVPEKULFN-QWHCGFSZSA-N 1 0 372.429 2.002 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418138800 559391540 /nfs/dbraw/zinc/39/15/40/559391540.db2.gz SUMOORFQALFOHW-CQSZACIVSA-N 1 0 365.384 2.424 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418138799 559391598 /nfs/dbraw/zinc/39/15/98/559391598.db2.gz SUMOORFQALFOHW-AWEZNQCLSA-N 1 0 365.384 2.424 20 5 FEBDRO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[N@@H+]1CCO ZINC000419338569 559438191 /nfs/dbraw/zinc/43/81/91/559438191.db2.gz LJICXLLJDUJAHX-LSDHHAIUSA-N 1 0 374.441 2.179 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000420241704 559477367 /nfs/dbraw/zinc/47/73/67/559477367.db2.gz TUSRVADOBJNWMG-CYBMUJFWSA-N 1 0 370.475 2.179 20 5 FEBDRO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC[NH2+]C1 ZINC000420299147 559479267 /nfs/dbraw/zinc/47/92/67/559479267.db2.gz SYRQCBVEICKFNU-CQSZACIVSA-N 1 0 350.419 2.006 20 5 FEBDRO COc1ccc(NC(=O)CN[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420361152 559483032 /nfs/dbraw/zinc/48/30/32/559483032.db2.gz MTCMIXVASKEQJG-HNNXBMFYSA-N 1 0 350.419 2.039 20 5 FEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420382989 559484407 /nfs/dbraw/zinc/48/44/07/559484407.db2.gz AVMBKDLPHYWLRO-DUVNUKRYSA-N 1 0 372.400 2.488 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000420470742 559489376 /nfs/dbraw/zinc/48/93/76/559489376.db2.gz XLXBFDCLEOSFAJ-INIZCTEOSA-N 1 0 363.439 2.444 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000420624443 559494255 /nfs/dbraw/zinc/49/42/55/559494255.db2.gz JKQKZYUDMPYYKZ-UHFFFAOYSA-N 1 0 351.426 2.125 20 5 FEBDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019012 559520019 /nfs/dbraw/zinc/52/00/19/559520019.db2.gz NAJIDJHPUPUWIS-UONOGXRCSA-N 1 0 365.430 2.056 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000421496289 559543665 /nfs/dbraw/zinc/54/36/65/559543665.db2.gz LYKQVCAMEUUBBD-UHFFFAOYSA-N 1 0 372.425 2.477 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422007354 559560181 /nfs/dbraw/zinc/56/01/81/559560181.db2.gz NITXCNOKUZDVEN-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000422008859 559560284 /nfs/dbraw/zinc/56/02/84/559560284.db2.gz QDJFTAOLSNFVOK-UHFFFAOYSA-N 1 0 358.398 2.451 20 5 FEBDRO COc1cc(C(=O)NCCC[NH2+]Cc2cccnc2)cc([N+](=O)[O-])c1C ZINC000422734587 559604806 /nfs/dbraw/zinc/60/48/06/559604806.db2.gz UBVSCNODEHNTPW-UHFFFAOYSA-N 1 0 358.398 2.217 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423160952 559621439 /nfs/dbraw/zinc/62/14/39/559621439.db2.gz ICQUCJCZOQYVIG-SFHVURJKSA-N 1 0 371.441 2.469 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCNCc2cccnc2)n1 ZINC000423179870 559622154 /nfs/dbraw/zinc/62/21/54/559622154.db2.gz ALKYCWNYHRQVSF-IAGOWNOFSA-N 1 0 358.446 2.440 20 5 FEBDRO CCc1ccc([C@H](NC[C@H]2C[NH2+]CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519626 559630941 /nfs/dbraw/zinc/63/09/41/559630941.db2.gz PMDXNBKWEJIREV-VQIMIIECSA-N 1 0 358.442 2.333 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2c(F)cccc2c3=O)C[C@@H]1[NH3+] ZINC000423970170 559648399 /nfs/dbraw/zinc/64/83/99/559648399.db2.gz FRGZDLNKQKRANU-PSLIRLAXSA-N 1 0 357.360 2.379 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000423999426 559650117 /nfs/dbraw/zinc/65/01/17/559650117.db2.gz KGUKKCLZJDVLKM-GDBMZVCRSA-N 1 0 351.378 2.092 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298078 559661074 /nfs/dbraw/zinc/66/10/74/559661074.db2.gz RVUGQWLYEBMYTQ-DLBZAZTESA-N 1 0 359.430 2.042 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425071385 559686342 /nfs/dbraw/zinc/68/63/42/559686342.db2.gz YSJGZPAWHBCQQX-WCQYABFASA-N 1 0 355.341 2.362 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000425359826 559698168 /nfs/dbraw/zinc/69/81/68/559698168.db2.gz TUFZDLIMBDGJRI-SECBINFHSA-N 1 0 369.328 2.312 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCC[NH+]1CCCCC1 ZINC000427924759 559765363 /nfs/dbraw/zinc/76/53/63/559765363.db2.gz RJFPZZACMMSFPU-UHFFFAOYSA-N 1 0 358.398 2.124 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000429134385 559791503 /nfs/dbraw/zinc/79/15/03/559791503.db2.gz QNOHGHJSKNBARF-SKDRFNHKSA-N 1 0 361.320 2.345 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398387 559797823 /nfs/dbraw/zinc/79/78/23/559797823.db2.gz ICFQDEYMNPAQEH-XEZPLFJOSA-N 1 0 363.414 2.441 20 5 FEBDRO COc1cc(OCC(=O)NCc2ccc([C@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000429483036 559799574 /nfs/dbraw/zinc/79/95/74/559799574.db2.gz JKBBKGFAFWEOQN-LBPRGKRZSA-N 1 0 359.382 2.318 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429908095 559808341 /nfs/dbraw/zinc/80/83/41/559808341.db2.gz IAQIDCKTSYBSJO-HNNXBMFYSA-N 1 0 363.458 2.345 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000430388300 559819264 /nfs/dbraw/zinc/81/92/64/559819264.db2.gz XYTRBHMAUZHJFP-CYBMUJFWSA-N 1 0 367.471 2.236 20 5 FEBDRO CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430598854 559824096 /nfs/dbraw/zinc/82/40/96/559824096.db2.gz ULRNJYNUUSTNIE-AWEZNQCLSA-N 1 0 373.251 2.259 20 5 FEBDRO CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430598855 559824244 /nfs/dbraw/zinc/82/42/44/559824244.db2.gz ULRNJYNUUSTNIE-CQSZACIVSA-N 1 0 373.251 2.259 20 5 FEBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cccc21 ZINC000432942815 559868265 /nfs/dbraw/zinc/86/82/65/559868265.db2.gz CVPHRMQMCRMXOS-CQSZACIVSA-N 1 0 357.370 2.218 20 5 FEBDRO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039696 559870372 /nfs/dbraw/zinc/87/03/72/559870372.db2.gz NFLKCWMRPJEYBV-OALUTQOASA-N 1 0 369.421 2.236 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077817 559871469 /nfs/dbraw/zinc/87/14/69/559871469.db2.gz SULZRNGTHSZXGP-LSDHHAIUSA-N 1 0 358.402 2.418 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433419286 559880858 /nfs/dbraw/zinc/88/08/58/559880858.db2.gz DTVOQCBKPLEODN-MRXNPFEDSA-N 1 0 372.429 2.162 20 5 FEBDRO CCOC(=O)c1cc(NC[C@H](C)N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000433707885 559886731 /nfs/dbraw/zinc/88/67/31/559886731.db2.gz FKNQMEWVHQMTLP-AWEZNQCLSA-N 1 0 364.446 2.209 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c1[N+](=O)[O-] ZINC000433980227 559891924 /nfs/dbraw/zinc/89/19/24/559891924.db2.gz HIIYQXNCASIFCT-CQSZACIVSA-N 1 0 359.430 2.344 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434703249 559906780 /nfs/dbraw/zinc/90/67/80/559906780.db2.gz RENAYIQRGCZIIC-SJKOYZFVSA-N 1 0 371.441 2.327 20 5 FEBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434761399 559908639 /nfs/dbraw/zinc/90/86/39/559908639.db2.gz YDCIWMLTYZVZFV-DOMZBBRYSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435042570 559914987 /nfs/dbraw/zinc/91/49/87/559914987.db2.gz MXIQNHTTZIMQME-NSHDSACASA-N 1 0 373.356 2.006 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438946298 559985976 /nfs/dbraw/zinc/98/59/76/559985976.db2.gz HLBBKMJMDNSPKY-GFCCVEGCSA-N 1 0 361.489 2.445 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000439464437 559994506 /nfs/dbraw/zinc/99/45/06/559994506.db2.gz CZOALWMRQPJPTE-GOSISDBHSA-N 1 0 366.414 2.265 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000439485243 559995435 /nfs/dbraw/zinc/99/54/35/559995435.db2.gz IOYIVACSJMOTDT-GOSISDBHSA-N 1 0 366.414 2.265 20 5 FEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCO[C@H]21 ZINC000439623479 559998265 /nfs/dbraw/zinc/99/82/65/559998265.db2.gz RJNHZSLTRGSELI-QBPKDAKJSA-N 1 0 359.426 2.493 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000439638183 559998486 /nfs/dbraw/zinc/99/84/86/559998486.db2.gz VCSRUHHPLIKPMQ-COLVAYQJSA-N 1 0 351.403 2.334 20 5 FEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440427538 560010823 /nfs/dbraw/zinc/01/08/23/560010823.db2.gz FLZYKSNQKBRYOT-UHFFFAOYSA-N 1 0 353.425 2.257 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(O)c1 ZINC000444750209 560119678 /nfs/dbraw/zinc/11/96/78/560119678.db2.gz ZDUCLPQBDOWASX-JTQLQIEISA-N 1 0 359.338 2.318 20 5 FEBDRO C[NH+](C)CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445960465 560137353 /nfs/dbraw/zinc/13/73/53/560137353.db2.gz DUAVPMQLKZKIAP-UHFFFAOYSA-N 1 0 358.236 2.358 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446899659 560153134 /nfs/dbraw/zinc/15/31/34/560153134.db2.gz KDJZTWIQBYLYDP-VXGBXAGGSA-N 1 0 360.418 2.095 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000447427204 560162040 /nfs/dbraw/zinc/16/20/40/560162040.db2.gz PTNZEYDBHAZBPJ-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447559824 560164530 /nfs/dbraw/zinc/16/45/30/560164530.db2.gz BDDWNIAXSDNCQK-CVEARBPZSA-N 1 0 357.414 2.295 20 5 FEBDRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447594521 560165015 /nfs/dbraw/zinc/16/50/15/560165015.db2.gz ZMCVFZFWOHLDSH-ZIAGYGMSSA-N 1 0 358.464 2.080 20 5 FEBDRO O=C1NCCc2ccc(C[NH2+][C@@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593581 560165028 /nfs/dbraw/zinc/16/50/28/560165028.db2.gz SZOHVNGPKIBCIP-IAGOWNOFSA-N 1 0 369.425 2.351 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000447818299 560170100 /nfs/dbraw/zinc/17/01/00/560170100.db2.gz SAYHYNGYNVEJKS-NSHDSACASA-N 1 0 370.837 2.083 20 5 FEBDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449300009 560224316 /nfs/dbraw/zinc/22/43/16/560224316.db2.gz NNWDUXHFVVREKL-OAHLLOKOSA-N 1 0 371.437 2.483 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000449456013 560230767 /nfs/dbraw/zinc/23/07/67/560230767.db2.gz RWQKDNRBOGXGEV-QGZVFWFLSA-N 1 0 352.387 2.005 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000449621062 560235036 /nfs/dbraw/zinc/23/50/36/560235036.db2.gz YLNROIPNLSKORL-ZKHYJGBESA-N 1 0 356.382 2.094 20 5 FEBDRO COC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449782088 560239887 /nfs/dbraw/zinc/23/98/87/560239887.db2.gz YNZQSTNRXGHPBT-AWEZNQCLSA-N 1 0 366.414 2.395 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450294558 560257371 /nfs/dbraw/zinc/25/73/71/560257371.db2.gz OYJPYFIHVSNECB-HUUCEWRRSA-N 1 0 372.473 2.466 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1C ZINC000450314879 560258067 /nfs/dbraw/zinc/25/80/67/560258067.db2.gz CJSVZBATSIUVPT-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450598804 560267538 /nfs/dbraw/zinc/26/75/38/560267538.db2.gz RJGDTDSRQAEVJI-LLVKDONJSA-N 1 0 371.821 2.294 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309423 560299340 /nfs/dbraw/zinc/29/93/40/560299340.db2.gz WPCXAZDWJAFOID-BFYDXBDKSA-N 1 0 350.415 2.355 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451339742 560301159 /nfs/dbraw/zinc/30/11/59/560301159.db2.gz JSNXOHOXROWSQA-LULLPPNCSA-N 1 0 364.442 2.350 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476447 560309268 /nfs/dbraw/zinc/30/92/68/560309268.db2.gz FUZWIVVTFHXFSG-CSMYWGQOSA-N 1 0 363.414 2.335 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500579 560310689 /nfs/dbraw/zinc/31/06/89/560310689.db2.gz OKVROCVJWRTZBR-LSDHHAIUSA-N 1 0 351.403 2.335 20 5 FEBDRO O=c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c2ccnn21 ZINC000451543462 560313502 /nfs/dbraw/zinc/31/35/02/560313502.db2.gz BVXOFUBLZMSWLE-AWEZNQCLSA-N 1 0 353.382 2.310 20 5 FEBDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)C(C)C ZINC000451602837 560316847 /nfs/dbraw/zinc/31/68/47/560316847.db2.gz WDAWCUGILKQBSM-QFBILLFUSA-N 1 0 363.458 2.363 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000452102253 560351551 /nfs/dbraw/zinc/35/15/51/560351551.db2.gz HRMBOTXXFMZISV-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454391182 560442691 /nfs/dbraw/zinc/44/26/91/560442691.db2.gz UBAPRULZQYPTJZ-MRXNPFEDSA-N 1 0 373.413 2.073 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456035079 560505157 /nfs/dbraw/zinc/50/51/57/560505157.db2.gz ANUWACJATBEMBO-CJNGLKHVSA-N 1 0 369.425 2.282 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000456041711 560505341 /nfs/dbraw/zinc/50/53/41/560505341.db2.gz IOUVQBILJOHQOF-AWEZNQCLSA-N 1 0 361.377 2.203 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456159841 560509169 /nfs/dbraw/zinc/50/91/69/560509169.db2.gz AWGOWXUORHWCEG-UHFFFAOYSA-N 1 0 365.430 2.145 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456701795 560529710 /nfs/dbraw/zinc/52/97/10/560529710.db2.gz VOEZUUUCISLLCW-UHFFFAOYSA-N 1 0 351.451 2.301 20 5 FEBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000457368505 560563922 /nfs/dbraw/zinc/56/39/22/560563922.db2.gz ZJILQNCDOILLTD-KSSFIOAISA-N 1 0 370.409 2.490 20 5 FEBDRO COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@H]2[NH3+])cc1F ZINC000457373309 560564168 /nfs/dbraw/zinc/56/41/68/560564168.db2.gz JYFUKSCZTONGHP-GXTWGEPZSA-N 1 0 362.361 2.028 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457953665 560596151 /nfs/dbraw/zinc/59/61/51/560596151.db2.gz ZIZRFHPXKQVQBV-CQSZACIVSA-N 1 0 350.419 2.228 20 5 FEBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000459516388 560691257 /nfs/dbraw/zinc/69/12/57/560691257.db2.gz UXDBOAVCUJQJQA-UHFFFAOYSA-N 1 0 353.426 2.175 20 5 FEBDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000459638969 560699199 /nfs/dbraw/zinc/69/91/99/560699199.db2.gz CDVBKCLEIXYEGU-UHFFFAOYSA-N 1 0 363.439 2.491 20 5 FEBDRO COc1ccc(NC(=O)CN2CC3(CCC3)[C@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459666124 560701187 /nfs/dbraw/zinc/70/11/87/560701187.db2.gz GUKZHBSJLSVUAM-BBRMVZONSA-N 1 0 361.398 2.043 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000459674113 560701259 /nfs/dbraw/zinc/70/12/59/560701259.db2.gz BOXMPZRRRKJDKK-ZUZCIYMTSA-N 1 0 352.774 2.293 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000460905579 560755138 /nfs/dbraw/zinc/75/51/38/560755138.db2.gz XWFXALUPGOKOCW-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO CNc1c(C(=O)NCC2(SC)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000460978431 560757956 /nfs/dbraw/zinc/75/79/56/560757956.db2.gz ILUNFYLFZBLCNO-UHFFFAOYSA-N 1 0 352.460 2.194 20 5 FEBDRO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461404302 560770118 /nfs/dbraw/zinc/77/01/18/560770118.db2.gz DGMITZADEGLDLE-GOSISDBHSA-N 1 0 369.421 2.489 20 5 FEBDRO O=[N+]([O-])c1ccc(NCCCN2CCOCC2)nc1OCc1ccccc1 ZINC000462439057 560810153 /nfs/dbraw/zinc/81/01/53/560810153.db2.gz FBLMSLLQTFFPGY-UHFFFAOYSA-N 1 0 372.425 2.703 20 5 FEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463454190 560815683 /nfs/dbraw/zinc/81/56/83/560815683.db2.gz MLKMXMWAORDILH-XQQFMLRXSA-N 1 0 350.341 2.205 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000467221016 560906677 /nfs/dbraw/zinc/90/66/77/560906677.db2.gz YVRAEBCGUFFABW-HNNXBMFYSA-N 1 0 372.878 2.485 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000468653540 560935088 /nfs/dbraw/zinc/93/50/88/560935088.db2.gz WUIIZWUODPGODW-RAXLEYEMSA-N 1 0 353.444 2.012 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000468741260 560937644 /nfs/dbraw/zinc/93/76/44/560937644.db2.gz YWVOZWLEORORJX-UHFFFAOYSA-N 1 0 360.414 2.019 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000470968447 560995607 /nfs/dbraw/zinc/99/56/07/560995607.db2.gz QWGNMOXVFLTRSJ-LPHOPBHVSA-N 1 0 372.469 2.364 20 5 FEBDRO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636577 561031634 /nfs/dbraw/zinc/03/16/34/561031634.db2.gz GGIYJDMOWHOTNY-CVEARBPZSA-N 1 0 357.414 2.424 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932594 561061071 /nfs/dbraw/zinc/06/10/71/561061071.db2.gz MDNLUDOPHMUSOC-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000474001006 561063115 /nfs/dbraw/zinc/06/31/15/561063115.db2.gz OWPJGPYJEFLQAM-TZMCWYRMSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000474002725 561063320 /nfs/dbraw/zinc/06/33/20/561063320.db2.gz XURFTUCCWYOJFU-UHFFFAOYSA-N 1 0 352.387 2.053 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000474317941 561071187 /nfs/dbraw/zinc/07/11/87/561071187.db2.gz XTIIZJDWFJGZGB-IAQYHMDHSA-N 1 0 350.325 2.077 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475713846 561103057 /nfs/dbraw/zinc/10/30/57/561103057.db2.gz FSEJUDVGHHDGIH-KGLIPLIRSA-N 1 0 365.430 2.061 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000476071173 561110841 /nfs/dbraw/zinc/11/08/41/561110841.db2.gz HYQYUSCBEZTBSX-CQSZACIVSA-N 1 0 371.441 2.490 20 5 FEBDRO COc1c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000476171852 561112205 /nfs/dbraw/zinc/11/22/05/561112205.db2.gz XFCSECDEYYCLFL-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO COc1c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469670 561120288 /nfs/dbraw/zinc/12/02/88/561120288.db2.gz WEXMDUVAHJUGSK-HZPDHXFCSA-N 1 0 355.394 2.431 20 5 FEBDRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813538 562424814 /nfs/dbraw/zinc/42/48/14/562424814.db2.gz ZKGDHDXPFWUCOK-FOIQADDNSA-N 1 0 369.421 2.409 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CC2CCCCCC2)cc1 ZINC000531012211 562431778 /nfs/dbraw/zinc/43/17/78/562431778.db2.gz QNGZEWMPFOHLDD-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000531190367 562437586 /nfs/dbraw/zinc/43/75/86/562437586.db2.gz RGJHCTIMSJJPLP-KBPBESRZSA-N 1 0 351.451 2.267 20 5 FEBDRO CC1(C)CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000532265302 562472010 /nfs/dbraw/zinc/47/20/10/562472010.db2.gz ZXIXRNNEDQMYKX-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)cn1 ZINC000532753210 562487482 /nfs/dbraw/zinc/48/74/82/562487482.db2.gz ZRBIFIPIVLIKMM-UHFFFAOYSA-N 1 0 364.409 2.498 20 5 FEBDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000532783568 562488721 /nfs/dbraw/zinc/48/87/21/562488721.db2.gz HBFILYPZNYZSQT-SFHVURJKSA-N 1 0 357.410 2.058 20 5 FEBDRO CC(C)[N@@H+]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000533414684 562508123 /nfs/dbraw/zinc/50/81/23/562508123.db2.gz YIQDPEWVXJEWBN-UHFFFAOYSA-N 1 0 362.430 2.309 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497932 562510941 /nfs/dbraw/zinc/51/09/41/562510941.db2.gz YSXSIDVYIWQCDQ-AWEZNQCLSA-N 1 0 355.460 2.384 20 5 FEBDRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000536470858 562576322 /nfs/dbraw/zinc/57/63/22/562576322.db2.gz DQIXEXFTKGFGBE-HOTGVXAUSA-N 1 0 366.487 2.209 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000537046151 562584594 /nfs/dbraw/zinc/58/45/94/562584594.db2.gz UJFVWVZZCLYBSB-GJZGRUSLSA-N 1 0 364.446 2.312 20 5 FEBDRO C[C@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541540017 562615085 /nfs/dbraw/zinc/61/50/85/562615085.db2.gz AZTGTQZWFVGMOG-SNVBAGLBSA-N 1 0 369.365 2.194 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908374 562622951 /nfs/dbraw/zinc/62/29/51/562622951.db2.gz KXWWCQZXWRPBBX-ZFWWWQNUSA-N 1 0 355.398 2.369 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000556104177 674388314 /nfs/dbraw/zinc/38/83/14/674388314.db2.gz MUZQOSGAYXOILZ-INIZCTEOSA-N 1 0 361.423 2.409 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1 ZINC000541785015 567831457 /nfs/dbraw/zinc/83/14/57/567831457.db2.gz BIDNPHVZUYBKRD-UHFFFAOYSA-N 1 0 350.400 2.473 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000568568758 568052999 /nfs/dbraw/zinc/05/29/99/568052999.db2.gz JYVORSVHQMIUOZ-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577193 568058694 /nfs/dbraw/zinc/05/86/94/568058694.db2.gz ZTBNFZULYFRILE-XJKSGUPXSA-N 1 0 362.430 2.228 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000568991861 568260421 /nfs/dbraw/zinc/26/04/21/568260421.db2.gz SIVVHIXLBXPCAF-AWEZNQCLSA-N 1 0 358.320 2.003 20 5 FEBDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000569474388 568401354 /nfs/dbraw/zinc/40/13/54/568401354.db2.gz CHGHFJPYBSDGTF-UHFFFAOYSA-N 1 0 366.414 2.177 20 5 FEBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 ZINC000569844486 568427079 /nfs/dbraw/zinc/42/70/79/568427079.db2.gz CEGDXHNGAALWPZ-NSHDSACASA-N 1 0 373.369 2.344 20 5 FEBDRO Cc1ccccc1C[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569844892 568427207 /nfs/dbraw/zinc/42/72/07/568427207.db2.gz COVYGZWBMZJKTM-INIZCTEOSA-N 1 0 357.410 2.425 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570575060 568486921 /nfs/dbraw/zinc/48/69/21/568486921.db2.gz IGQDVWBKQTYJOK-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736027049 598676500 /nfs/dbraw/zinc/67/65/00/598676500.db2.gz WBSIVLJIBJOQNF-LBPRGKRZSA-N 1 0 368.401 2.102 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)CC2CCCC2)cc1 ZINC000566232631 675196810 /nfs/dbraw/zinc/19/68/10/675196810.db2.gz RPKOADOZLAGPEI-OAHLLOKOSA-N 1 0 370.471 2.147 20 5 FEBDRO CCN(C(C)=O)c1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cs1 ZINC000809734657 674507721 /nfs/dbraw/zinc/50/77/21/674507721.db2.gz JKLLBQXWMQICJN-UHFFFAOYSA-N 1 0 363.443 2.389 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000558881778 674519170 /nfs/dbraw/zinc/51/91/70/674519170.db2.gz XFEVUBCTRXMCGD-CQSZACIVSA-N 1 0 351.451 2.367 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000687 606226648 /nfs/dbraw/zinc/22/66/48/606226648.db2.gz HXBDWLBUNZGEHF-KGLIPLIRSA-N 1 0 357.418 2.228 20 5 FEBDRO Nc1c(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000559253877 674533900 /nfs/dbraw/zinc/53/39/00/674533900.db2.gz IPRZHEGDBHSXSR-UHFFFAOYSA-N 1 0 350.394 2.264 20 5 FEBDRO CC[NH+](CC)[C@@H](C)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180478 606451335 /nfs/dbraw/zinc/45/13/35/606451335.db2.gz DANXACIKOJQQIJ-NSHDSACASA-N 1 0 370.417 2.465 20 5 FEBDRO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NS(C)(=O)=O ZINC000811478243 674607352 /nfs/dbraw/zinc/60/73/52/674607352.db2.gz NSTIVDQAYLZLFG-UHFFFAOYSA-N 1 0 370.258 2.319 20 5 FEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000563417791 674884453 /nfs/dbraw/zinc/88/44/53/674884453.db2.gz MGMJNJCUZQELBU-MRXNPFEDSA-N 1 0 361.423 2.280 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815288545 674938112 /nfs/dbraw/zinc/93/81/12/674938112.db2.gz ZOLLDISEZHSHON-QZTJIDSGSA-N 1 0 350.415 2.273 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H](C)O1 ZINC000816839228 675082317 /nfs/dbraw/zinc/08/23/17/675082317.db2.gz YDYKWLWOJVPYHC-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1C ZINC000565221942 675103481 /nfs/dbraw/zinc/10/34/81/675103481.db2.gz NMYWHLUSPDRPLU-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO O=C(CC[N@H+]1CC[C@H](O)CC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000817290147 675117858 /nfs/dbraw/zinc/11/78/58/675117858.db2.gz HJYXTUGHQXBYEC-ZDUSSCGKSA-N 1 0 351.378 2.442 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078722223 670592591 /nfs/dbraw/zinc/59/25/91/670592591.db2.gz DLODGRCOQNXKQK-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000570826360 670774655 /nfs/dbraw/zinc/77/46/55/670774655.db2.gz BRAXJWNYJQKPQB-UHFFFAOYSA-N 1 0 352.410 2.103 20 5 FEBDRO Cc1nc(C)c(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000571671290 670909502 /nfs/dbraw/zinc/90/95/02/670909502.db2.gz ZGRFZQCEJPUTCJ-CYBMUJFWSA-N 1 0 351.428 2.240 20 5 FEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000571696818 670913453 /nfs/dbraw/zinc/91/34/53/670913453.db2.gz PJSHGMPSMZTRGH-ZJUUUORDSA-N 1 0 371.235 2.107 20 5 FEBDRO C[C@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000571696817 670913508 /nfs/dbraw/zinc/91/35/08/670913508.db2.gz PJSHGMPSMZTRGH-VHSXEESVSA-N 1 0 371.235 2.107 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000817863805 675183664 /nfs/dbraw/zinc/18/36/64/675183664.db2.gz RBDYQIYQLNENNU-USWWRNFRSA-N 1 0 359.423 2.036 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000574917159 671286005 /nfs/dbraw/zinc/28/60/05/671286005.db2.gz VFBVVJLDEAPYGC-INIZCTEOSA-N 1 0 367.471 2.310 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000818000019 675189437 /nfs/dbraw/zinc/18/94/37/675189437.db2.gz CPVCWOAMOYXSOV-SWLSCSKDSA-N 1 0 351.378 2.103 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCC[C@H]2C[NH+](C)C)c1F ZINC000575968721 671334222 /nfs/dbraw/zinc/33/42/22/671334222.db2.gz AEKRYGYXHDSEJD-LBPRGKRZSA-N 1 0 353.394 2.228 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@@H]1CCCC[C@H]1O ZINC000576755411 671392058 /nfs/dbraw/zinc/39/20/58/671392058.db2.gz JRQQIZXFVYQPFO-ZMSDIMECSA-N 1 0 352.431 2.255 20 5 FEBDRO COc1cc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc([N+](=O)[O-])c1C ZINC000576795709 671394867 /nfs/dbraw/zinc/39/48/67/671394867.db2.gz JOYUDJYNTTZXOM-UHFFFAOYSA-N 1 0 367.471 2.469 20 5 FEBDRO CN(CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O ZINC000608836373 675905310 /nfs/dbraw/zinc/90/53/10/675905310.db2.gz QTSSISWAXNIBGM-UHFFFAOYSA-N 1 0 367.427 2.226 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000578988771 671704227 /nfs/dbraw/zinc/70/42/27/671704227.db2.gz NIVOQXJYUHRXMO-MRXNPFEDSA-N 1 0 361.423 2.150 20 5 FEBDRO CCOC(=O)CCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609798148 675936803 /nfs/dbraw/zinc/93/68/03/675936803.db2.gz BUYONSJPZHVJMK-UHFFFAOYSA-N 1 0 350.419 2.235 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000579703314 671754373 /nfs/dbraw/zinc/75/43/73/671754373.db2.gz IPPNZXWDZICYHD-NQBHXWOUSA-N 1 0 350.341 2.111 20 5 FEBDRO CO[C@@]1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130256 671784465 /nfs/dbraw/zinc/78/44/65/671784465.db2.gz LJTNUXFMXDMHGE-HOCLYGCPSA-N 1 0 356.444 2.162 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000580541738 671816591 /nfs/dbraw/zinc/81/65/91/671816591.db2.gz YUMSWQVJSUNVES-NWDGAFQWSA-N 1 0 351.432 2.027 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000580983414 671852895 /nfs/dbraw/zinc/85/28/95/671852895.db2.gz DMUMYHXYGSFXFK-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119582675 671903051 /nfs/dbraw/zinc/90/30/51/671903051.db2.gz RRNAECCYUYJUKS-UHFFFAOYSA-N 1 0 361.489 2.447 20 5 FEBDRO COc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000581824093 671938303 /nfs/dbraw/zinc/93/83/03/671938303.db2.gz WMXXXGIAIYUEFA-UHFFFAOYSA-N 1 0 371.459 2.133 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000582406730 671999473 /nfs/dbraw/zinc/99/94/73/671999473.db2.gz VMTIYBVOEVGMCT-LBPRGKRZSA-N 1 0 353.394 2.132 20 5 FEBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582601834 672017222 /nfs/dbraw/zinc/01/72/22/672017222.db2.gz XZTWPXNDRYHZJH-PBHICJAKSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494837 672100152 /nfs/dbraw/zinc/10/01/52/672100152.db2.gz HIDSUMQLNKXWNN-CABCVRRESA-N 1 0 369.487 2.079 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000610573007 675981981 /nfs/dbraw/zinc/98/19/81/675981981.db2.gz ILPMGCDEERQBRT-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO C[NH+](C)CCSc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000610680834 675988990 /nfs/dbraw/zinc/98/89/90/675988990.db2.gz DRQITLDUFIMFHL-UHFFFAOYSA-N 1 0 373.500 2.423 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1F ZINC000154288368 672213708 /nfs/dbraw/zinc/21/37/08/672213708.db2.gz MUSVPTZEGSYUST-UHFFFAOYSA-N 1 0 359.423 2.197 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000176056410 672372721 /nfs/dbraw/zinc/37/27/21/672372721.db2.gz LWDJYBPSHBJGRQ-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000178934021 672397239 /nfs/dbraw/zinc/39/72/39/672397239.db2.gz ZKMFKFHRNQCLEZ-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000589162063 672510983 /nfs/dbraw/zinc/51/09/83/672510983.db2.gz GFFKWGRJTOYWJX-XDTLVQLUSA-N 1 0 363.336 2.459 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590045985 672556134 /nfs/dbraw/zinc/55/61/34/672556134.db2.gz ZJDCEWQOQCNUPU-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO CCC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000611335621 676032791 /nfs/dbraw/zinc/03/27/91/676032791.db2.gz ZZHGTLLRDNHFGN-INIZCTEOSA-N 1 0 355.460 2.451 20 5 FEBDRO CCOc1cc(C(=O)N2CCN(C)C[C@H]2CC)c([N+](=O)[O-])cc1OC ZINC000591004654 672640054 /nfs/dbraw/zinc/64/00/54/672640054.db2.gz HVNOILGYLWHJFE-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000591030467 672643029 /nfs/dbraw/zinc/64/30/29/672643029.db2.gz VPXNGNUIBPRWPT-KRWDZBQOSA-N 1 0 363.483 2.471 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591279336 672664333 /nfs/dbraw/zinc/66/43/33/672664333.db2.gz FACVGQPUBVQWTP-BXKDBHETSA-N 1 0 356.329 2.412 20 5 FEBDRO COc1cc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000591448456 672681913 /nfs/dbraw/zinc/68/19/13/672681913.db2.gz ICXQBVGVFPVGFK-JQWIXIFHSA-N 1 0 357.357 2.389 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H]1SC ZINC000592168633 672766408 /nfs/dbraw/zinc/76/64/08/672766408.db2.gz XLPLDUBZBQCPPV-FMKPAKJESA-N 1 0 353.444 2.340 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592168698 672766498 /nfs/dbraw/zinc/76/64/98/672766498.db2.gz YVPFNCCWGGVGAV-QOWREQOWSA-N 1 0 353.444 2.420 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000592335265 672788730 /nfs/dbraw/zinc/78/87/30/672788730.db2.gz QYWJBABRAPKLDF-JQWIXIFHSA-N 1 0 360.183 2.129 20 5 FEBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@]1(O)CCOC1 ZINC000592374742 672793896 /nfs/dbraw/zinc/79/38/96/672793896.db2.gz HHZHBLSLROSSNN-INIZCTEOSA-N 1 0 360.357 2.463 20 5 FEBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381051 672794906 /nfs/dbraw/zinc/79/49/06/672794906.db2.gz ZJHAEEQBNSPEQC-VHSXEESVSA-N 1 0 367.349 2.162 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592543909 672812800 /nfs/dbraw/zinc/81/28/00/672812800.db2.gz XMOJRUPQZNCBLS-WCQYABFASA-N 1 0 355.822 2.472 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccccc3Cl)CCC2)c1 ZINC000593042701 672866882 /nfs/dbraw/zinc/86/68/82/672866882.db2.gz SNDHXCKMDJZHSQ-CYBMUJFWSA-N 1 0 350.806 2.475 20 5 FEBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066558 672871023 /nfs/dbraw/zinc/87/10/23/672871023.db2.gz NOYJIQAJPJWYMC-LRDDRELGSA-N 1 0 364.833 2.467 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000261897322 672905078 /nfs/dbraw/zinc/90/50/78/672905078.db2.gz WECSETYEIWEXIH-WDEREUQCSA-N 1 0 361.851 2.447 20 5 FEBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593674400 672976746 /nfs/dbraw/zinc/97/67/46/672976746.db2.gz RRRLHZSQKPYKRB-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO C[C@@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594097804 673030716 /nfs/dbraw/zinc/03/07/16/673030716.db2.gz CIIGENXSTJBLJX-MELADBBJSA-N 1 0 367.471 2.301 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594575972 673101416 /nfs/dbraw/zinc/10/14/16/673101416.db2.gz WFOVOCSPELVYQO-LSDHHAIUSA-N 1 0 350.415 2.416 20 5 FEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594780731 673140495 /nfs/dbraw/zinc/14/04/95/673140495.db2.gz RAPLUCKMRJTQGI-UHFFFAOYSA-N 1 0 366.443 2.105 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595115402 673195827 /nfs/dbraw/zinc/19/58/27/673195827.db2.gz DTUHRZLQKIDATF-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595403423 673243957 /nfs/dbraw/zinc/24/39/57/673243957.db2.gz FFWCODRHDXMSOY-UHFFFAOYSA-N 1 0 354.451 2.462 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000595406320 673244549 /nfs/dbraw/zinc/24/45/49/673244549.db2.gz BWMNVUFHPPZNCQ-PBHICJAKSA-N 1 0 350.438 2.192 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595467290 673254619 /nfs/dbraw/zinc/25/46/19/673254619.db2.gz JYAYRLJRCWUTTR-ZDUSSCGKSA-N 1 0 350.419 2.275 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000462504609 673255972 /nfs/dbraw/zinc/25/59/72/673255972.db2.gz UMFBLQQHAVAZOF-KOLCDFICSA-N 1 0 361.851 2.318 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000730786211 673290533 /nfs/dbraw/zinc/29/05/33/673290533.db2.gz MYYGNPWAHCWQMG-STQMWFEESA-N 1 0 353.394 2.492 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786486 673290743 /nfs/dbraw/zinc/29/07/43/673290743.db2.gz QKDLRIPDNWFOQA-TXEJJXNPSA-N 1 0 350.375 2.496 20 5 FEBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000595983439 673345428 /nfs/dbraw/zinc/34/54/28/673345428.db2.gz NWSJDFPWSYFYOV-MRVPVSSYSA-N 1 0 372.212 2.425 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)CC[NH+](C)C ZINC000596097348 673358347 /nfs/dbraw/zinc/35/83/47/673358347.db2.gz IILQQXYACFMQQQ-GFCCVEGCSA-N 1 0 358.464 2.035 20 5 FEBDRO COc1cc(CNCC23CC(C2)C[NH2+]3)c([N+](=O)[O-])cc1OCC(F)F ZINC000596100767 673358780 /nfs/dbraw/zinc/35/87/80/673358780.db2.gz CKKMCSIBEWLFTN-UHFFFAOYSA-N 1 0 357.357 2.089 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314839 673376764 /nfs/dbraw/zinc/37/67/64/673376764.db2.gz SNKQUXSJDGUJPP-UHFFFAOYSA-N 1 0 351.451 2.423 20 5 FEBDRO CN(CCC[NH+](C)C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596425195 673384231 /nfs/dbraw/zinc/38/42/31/673384231.db2.gz PTAFQEODXOKYNQ-UHFFFAOYSA-N 1 0 360.256 2.048 20 5 FEBDRO CC(C)Oc1nc(N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596564907 673394121 /nfs/dbraw/zinc/39/41/21/673394121.db2.gz DENHUESEUVUEJN-AWEZNQCLSA-N 1 0 352.435 2.324 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246810 673480916 /nfs/dbraw/zinc/48/09/16/673480916.db2.gz QWQXONWCFPIPML-CMPLNLGQSA-N 1 0 356.329 2.104 20 5 FEBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000597878379 673515236 /nfs/dbraw/zinc/51/52/36/673515236.db2.gz QELXTOZGRFTLQF-UHFFFAOYSA-N 1 0 353.444 2.277 20 5 FEBDRO COc1ccc(CSCC(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000540542998 673545862 /nfs/dbraw/zinc/54/58/62/673545862.db2.gz IIIWCLFDSXLTCL-UHFFFAOYSA-N 1 0 365.455 2.215 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000598542570 673580691 /nfs/dbraw/zinc/58/06/91/673580691.db2.gz XYXNRZDPLYSVPR-OAHLLOKOSA-N 1 0 355.822 2.431 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000542498115 673586635 /nfs/dbraw/zinc/58/66/35/673586635.db2.gz OIHTZHJJLDNFDL-DVOMOZLQSA-N 1 0 355.460 2.287 20 5 FEBDRO COC(=O)c1ccnc(NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598588793 673587309 /nfs/dbraw/zinc/58/73/09/673587309.db2.gz CNNHKFXKKSTGSB-ZDUSSCGKSA-N 1 0 350.419 2.700 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608640 673589889 /nfs/dbraw/zinc/58/98/89/673589889.db2.gz OIFCJYBLUPXLJZ-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000598716853 673602940 /nfs/dbraw/zinc/60/29/40/673602940.db2.gz TZVPPKGGEDMJMJ-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000543183454 673631458 /nfs/dbraw/zinc/63/14/58/673631458.db2.gz QMTJEXPBERYUBA-KRWDZBQOSA-N 1 0 368.455 2.260 20 5 FEBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000599102561 673633511 /nfs/dbraw/zinc/63/35/11/673633511.db2.gz MGSLNTAZJWXFKZ-UHFFFAOYSA-N 1 0 361.423 2.336 20 5 FEBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC000740017120 673641532 /nfs/dbraw/zinc/64/15/32/673641532.db2.gz XZASKMOBZLPMPL-MRXNPFEDSA-N 1 0 350.396 2.425 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543626124 673657275 /nfs/dbraw/zinc/65/72/75/673657275.db2.gz XNHYXUSWALAFHA-CYBMUJFWSA-N 1 0 355.460 2.307 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000543675044 673660626 /nfs/dbraw/zinc/66/06/26/673660626.db2.gz RCMOBXXSHAPMCL-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599414779 673672752 /nfs/dbraw/zinc/67/27/52/673672752.db2.gz IGMARKVBQHPPCT-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO CC1(C)CCC[C@](CO)([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599597747 673695704 /nfs/dbraw/zinc/69/57/04/673695704.db2.gz XQDQYQDKLQCPPA-KSSFIOAISA-N 1 0 352.431 2.255 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625767 673698859 /nfs/dbraw/zinc/69/88/59/673698859.db2.gz OKGHCQPSVXIONE-XMQPUEPBSA-N 1 0 351.403 2.332 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007700 673733775 /nfs/dbraw/zinc/73/37/75/673733775.db2.gz XVGVHMHCOJZMCL-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@]1(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCS1 ZINC000600161775 673745341 /nfs/dbraw/zinc/74/53/41/673745341.db2.gz OFNGOZLRZBOAKD-OAHLLOKOSA-N 1 0 373.500 2.049 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000545362711 673763154 /nfs/dbraw/zinc/76/31/54/673763154.db2.gz VKATUBKVCNILDD-UHFFFAOYSA-N 1 0 369.487 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000601337671 673844592 /nfs/dbraw/zinc/84/45/92/673844592.db2.gz HHBHWEDNVINGDV-OCCSQVGLSA-N 1 0 371.434 2.195 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnn(S(=O)(=O)CCC[NH+]3CCCC3)c2)c1 ZINC000601392432 673854111 /nfs/dbraw/zinc/85/41/11/673854111.db2.gz ZOQLSYWHHWDYRR-UHFFFAOYSA-N 1 0 364.427 2.122 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000601428007 673860685 /nfs/dbraw/zinc/86/06/85/673860685.db2.gz JKVVUWATORJLCR-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000601429943 673860980 /nfs/dbraw/zinc/86/09/80/673860980.db2.gz YDZUJFOWQPWLAD-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746571283 673884337 /nfs/dbraw/zinc/88/43/37/673884337.db2.gz VVSWJJGFJYRYAH-CQSZACIVSA-N 1 0 353.394 2.307 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601685246 673894190 /nfs/dbraw/zinc/89/41/90/673894190.db2.gz RSPBEIFPPPYMOC-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1SC ZINC000601974483 673900892 /nfs/dbraw/zinc/90/08/92/673900892.db2.gz JOJVXPGUKCXDBT-CALCHBBNSA-N 1 0 365.455 2.397 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000601977558 673901025 /nfs/dbraw/zinc/90/10/25/673901025.db2.gz VGMJQOUARASVBX-CALCHBBNSA-N 1 0 367.833 2.475 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000602429286 673905893 /nfs/dbraw/zinc/90/58/93/673905893.db2.gz OXXZLLCWKAGHPL-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000602486421 673906569 /nfs/dbraw/zinc/90/65/69/673906569.db2.gz UDZULMVLFPQCBR-CQSZACIVSA-N 1 0 354.204 2.183 20 5 FEBDRO COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602541879 673907685 /nfs/dbraw/zinc/90/76/85/673907685.db2.gz RTOKZYIPDGCHCQ-KOLCDFICSA-N 1 0 361.320 2.203 20 5 FEBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000602548981 673907948 /nfs/dbraw/zinc/90/79/48/673907948.db2.gz AREXAZUIDDBNHG-LBPRGKRZSA-N 1 0 365.455 2.348 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@]2(O)CCSC2)cc1Br ZINC000602573794 673908403 /nfs/dbraw/zinc/90/84/03/673908403.db2.gz UYWZLSHYEYAFCZ-JTQLQIEISA-N 1 0 353.263 2.376 20 5 FEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602729042 673910243 /nfs/dbraw/zinc/91/02/43/673910243.db2.gz HIRVKPNQQDUILA-GTNSWQLSSA-N 1 0 352.387 2.243 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602824175 673911856 /nfs/dbraw/zinc/91/18/56/673911856.db2.gz NJHVQHDIKXFPLY-CABCVRRESA-N 1 0 351.357 2.142 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548965004 674008458 /nfs/dbraw/zinc/00/84/58/674008458.db2.gz YVQQWONRRXNYBL-UHFFFAOYSA-N 1 0 351.432 2.364 20 5 FEBDRO CC(C)OCCN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819128592 675263186 /nfs/dbraw/zinc/26/31/86/675263186.db2.gz OHMXAUPQRXQZAS-SFHVURJKSA-N 1 0 351.447 2.107 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000819176840 675266712 /nfs/dbraw/zinc/26/67/12/675266712.db2.gz OBYKECWAYYVGTA-CYBMUJFWSA-N 1 0 360.292 2.013 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000819336639 675282596 /nfs/dbraw/zinc/28/25/96/675282596.db2.gz IQJGCVWJKVUQHS-OAHLLOKOSA-N 1 0 361.789 2.157 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000567734342 675317538 /nfs/dbraw/zinc/31/75/38/675317538.db2.gz DJONXSZDKFEAJD-XYPYZODXSA-N 1 0 361.851 2.292 20 5 FEBDRO CN1C[C@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1=O ZINC000821322846 675427029 /nfs/dbraw/zinc/42/70/29/675427029.db2.gz MWZZVZDPVFPJDF-LLVKDONJSA-N 1 0 356.220 2.410 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000824106662 675584237 /nfs/dbraw/zinc/58/42/37/675584237.db2.gz MUKSHBBWFZFZPY-TXEJJXNPSA-N 1 0 350.394 2.157 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000829559507 675883243 /nfs/dbraw/zinc/88/32/43/675883243.db2.gz AGMRKINWLNYDLE-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000616091193 676239538 /nfs/dbraw/zinc/23/95/38/676239538.db2.gz RAAGDQOEWYJKJI-JSGCOSHPSA-N 1 0 352.387 2.051 20 5 FEBDRO CN(CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000618984020 676358559 /nfs/dbraw/zinc/35/85/59/676358559.db2.gz QPXBDVOUNPAELW-HNNXBMFYSA-N 1 0 355.460 2.188 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000619871984 676398083 /nfs/dbraw/zinc/39/80/83/676398083.db2.gz QIGGCHKQSIAFHS-CYBMUJFWSA-N 1 0 353.444 2.292 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024337 677022235 /nfs/dbraw/zinc/02/22/35/677022235.db2.gz QWVNAMPAWSBYPC-YYIAUSFCSA-N 1 0 361.467 2.394 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000760519308 680691347 /nfs/dbraw/zinc/69/13/47/680691347.db2.gz IWBPZGLGSWBLGQ-OCCSQVGLSA-N 1 0 357.357 2.232 20 5 FEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1 ZINC000838920262 680727549 /nfs/dbraw/zinc/72/75/49/680727549.db2.gz XKXVJFYDYDGMSP-UHFFFAOYSA-N 1 0 353.350 2.138 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000839439736 680752870 /nfs/dbraw/zinc/75/28/70/680752870.db2.gz FDZDSQHPEGVTSD-CYBMUJFWSA-N 1 0 350.375 2.366 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082403 680771712 /nfs/dbraw/zinc/77/17/12/680771712.db2.gz FVBGAQAQQUTNGC-NXEZZACHSA-N 1 0 357.794 2.364 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)C1CC1 ZINC000840878445 680848781 /nfs/dbraw/zinc/84/87/81/680848781.db2.gz IBUZZNZYRYQWGF-CZUORRHYSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000748844301 680000063 /nfs/dbraw/zinc/00/00/63/680000063.db2.gz QJQJEDCDEGTSAL-LBPRGKRZSA-N 1 0 350.375 2.272 20 5 FEBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000911935966 685284930 /nfs/dbraw/zinc/28/49/30/685284930.db2.gz SNICRZKNZSAJKV-UHFFFAOYSA-N 1 0 363.439 2.338 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+](C)C ZINC000831738861 680035611 /nfs/dbraw/zinc/03/56/11/680035611.db2.gz SLLJUFOBRLSMQD-ZDUSSCGKSA-N 1 0 363.336 2.310 20 5 FEBDRO CCO[C@@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831758290 680039250 /nfs/dbraw/zinc/03/92/50/680039250.db2.gz XRFPNZFYRWJFAD-YPMHNXCESA-N 1 0 373.837 2.098 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000750030732 680096967 /nfs/dbraw/zinc/09/69/67/680096967.db2.gz XPZJDINBXXXFTM-UHFFFAOYSA-N 1 0 350.429 2.468 20 5 FEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000750616306 680124380 /nfs/dbraw/zinc/12/43/80/680124380.db2.gz SXSGYSLKWIGUBP-UHFFFAOYSA-N 1 0 363.439 2.477 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063677 680193376 /nfs/dbraw/zinc/19/33/76/680193376.db2.gz GNVSDXCJMCKGHD-XJFOESAGSA-N 1 0 358.225 2.395 20 5 FEBDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071840 680221752 /nfs/dbraw/zinc/22/17/52/680221752.db2.gz ZDJUJBLGONDEAY-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1ccc(Cl)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000996429332 680332204 /nfs/dbraw/zinc/33/22/04/680332204.db2.gz PWWUXKFQYAUGBA-GDBMZVCRSA-N 1 0 367.833 2.094 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754380398 680352688 /nfs/dbraw/zinc/35/26/88/680352688.db2.gz CVKHOICIBOXCJZ-HIFRSBDPSA-N 1 0 352.412 2.109 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754391959 680353920 /nfs/dbraw/zinc/35/39/20/680353920.db2.gz YXUZQCNKQHWXQR-CHWSQXEVSA-N 1 0 352.412 2.109 20 5 FEBDRO C[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754975502 680390915 /nfs/dbraw/zinc/39/09/15/680390915.db2.gz XVXRMWRPCNFYBS-UHFFFAOYSA-N 1 0 360.183 2.274 20 5 FEBDRO Cc1ncsc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034816315 680440224 /nfs/dbraw/zinc/44/02/24/680440224.db2.gz MMJBHPLVMQHECV-HUUCEWRRSA-N 1 0 360.439 2.023 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836627198 680491735 /nfs/dbraw/zinc/49/17/35/680491735.db2.gz JSTYDOXPAZLATI-LBPRGKRZSA-N 1 0 355.822 2.397 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000758208194 680562249 /nfs/dbraw/zinc/56/22/49/680562249.db2.gz SEGZGBOIOUMLII-CYBMUJFWSA-N 1 0 352.391 2.224 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161465 680866912 /nfs/dbraw/zinc/86/69/12/680866912.db2.gz LBNPMOWCFTZZRV-SECBINFHSA-N 1 0 357.208 2.478 20 5 FEBDRO COc1cc(NC(=O)CCC(C)(C)[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000841467504 680884223 /nfs/dbraw/zinc/88/42/23/680884223.db2.gz MMAFIUMDORKHHA-UHFFFAOYSA-N 1 0 353.419 2.410 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842485319 680950474 /nfs/dbraw/zinc/95/04/74/680950474.db2.gz LYVRZKPLPRJCHR-CQSZACIVSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000842892915 680974075 /nfs/dbraw/zinc/97/40/75/680974075.db2.gz IMYIRSUDXTUDPC-CHWSQXEVSA-N 1 0 371.434 2.053 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843368629 681000253 /nfs/dbraw/zinc/00/02/53/681000253.db2.gz PYBCLIKVIYWPRW-BDJLRTHQSA-N 1 0 352.822 2.261 20 5 FEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)nc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326143 681045258 /nfs/dbraw/zinc/04/52/58/681045258.db2.gz UCENOBMHAGDBOG-NMFUWQPSSA-N 1 0 366.849 2.165 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000771502661 681057544 /nfs/dbraw/zinc/05/75/44/681057544.db2.gz IDTKNOPVAGKIII-NSHDSACASA-N 1 0 363.443 2.451 20 5 FEBDRO C[C@H](CO)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000844417092 681057743 /nfs/dbraw/zinc/05/77/43/681057743.db2.gz RWXSDUGSSXNHOR-GFCCVEGCSA-N 1 0 353.394 2.403 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000774537528 681201405 /nfs/dbraw/zinc/20/14/05/681201405.db2.gz VDMHMQATZLIJQG-UONOGXRCSA-N 1 0 371.434 2.392 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000846233960 681207331 /nfs/dbraw/zinc/20/73/31/681207331.db2.gz DTRCWUYPSSMXQA-UHFFFAOYSA-N 1 0 361.851 2.225 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000847004108 681319675 /nfs/dbraw/zinc/31/96/75/681319675.db2.gz XKLGSOPRJJNRIB-LLVKDONJSA-N 1 0 359.373 2.004 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000775960771 681352386 /nfs/dbraw/zinc/35/23/86/681352386.db2.gz YCMDZZYYSWDSSH-UHFFFAOYSA-N 1 0 372.194 2.488 20 5 FEBDRO Cc1nsc(N2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776277598 681378831 /nfs/dbraw/zinc/37/88/31/681378831.db2.gz OLGGJQGFMARNCU-OAHLLOKOSA-N 1 0 363.443 2.000 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2([C@@H]3CCCCO3)CC2)cc1 ZINC000933375815 681400849 /nfs/dbraw/zinc/40/08/49/681400849.db2.gz NAYJFSKMDPKQRW-HNNXBMFYSA-N 1 0 354.428 2.060 20 5 FEBDRO C[N@@H+]1CC[C@@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000847822438 681437137 /nfs/dbraw/zinc/43/71/37/681437137.db2.gz CCKAYDTVSFVUQI-LBPRGKRZSA-N 1 0 351.359 2.321 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737691 681460095 /nfs/dbraw/zinc/46/00/95/681460095.db2.gz DBBLHIHHQKGBOY-NVGCLXPQSA-N 1 0 366.849 2.459 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000912812779 685446090 /nfs/dbraw/zinc/44/60/90/685446090.db2.gz AVALEBCVLLPMBS-ZFWWWQNUSA-N 1 0 351.451 2.069 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000777998905 681554855 /nfs/dbraw/zinc/55/48/55/681554855.db2.gz FZXWSILVEALQLK-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581314 681581778 /nfs/dbraw/zinc/58/17/78/681581778.db2.gz OYNDDFUDNPWDAA-DGCLKSJQSA-N 1 0 355.341 2.309 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000848942012 681646154 /nfs/dbraw/zinc/64/61/54/681646154.db2.gz RQJNYIMTZCAHNS-UHFFFAOYSA-N 1 0 361.427 2.348 20 5 FEBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000913682194 685481991 /nfs/dbraw/zinc/48/19/91/685481991.db2.gz SJTNVCRPPHZKPF-UHFFFAOYSA-N 1 0 363.439 2.338 20 5 FEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(C2CC2)C1 ZINC000782492749 682049413 /nfs/dbraw/zinc/04/94/13/682049413.db2.gz PKEOBOMQZPEUIL-CQSZACIVSA-N 1 0 350.394 2.231 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000851857026 682164703 /nfs/dbraw/zinc/16/47/03/682164703.db2.gz KRCMPSZXKMAXQW-UHFFFAOYSA-N 1 0 361.439 2.441 20 5 FEBDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563063 682539244 /nfs/dbraw/zinc/53/92/44/682539244.db2.gz JZULKGPTJVHHLZ-SUMWQHHRSA-N 1 0 366.487 2.036 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000855363959 682662295 /nfs/dbraw/zinc/66/22/95/682662295.db2.gz WUGGXVRANYHLKT-GFCCVEGCSA-N 1 0 350.375 2.286 20 5 FEBDRO CC[NH+]1CCN(CCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856722879 682798278 /nfs/dbraw/zinc/79/82/78/682798278.db2.gz BLVJEVUKDHTFJJ-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](CCCCO)CC1 ZINC000856731591 682800101 /nfs/dbraw/zinc/80/01/01/682800101.db2.gz PMCQVNXEGMSDSE-UHFFFAOYSA-N 1 0 358.236 2.252 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856732855 682800412 /nfs/dbraw/zinc/80/04/12/682800412.db2.gz FPAVUKPRBKLAAZ-LLVKDONJSA-N 1 0 358.236 2.250 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856772340 682808868 /nfs/dbraw/zinc/80/88/68/682808868.db2.gz WTMUZCUYEBTHDK-LBPRGKRZSA-N 1 0 370.247 2.393 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000858619050 682985777 /nfs/dbraw/zinc/98/57/77/682985777.db2.gz JVIUEAJNFZIKFU-ZDUSSCGKSA-N 1 0 359.835 2.120 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796512584 683167103 /nfs/dbraw/zinc/16/71/03/683167103.db2.gz FFOJHBADPXGKQX-ZDUSSCGKSA-N 1 0 361.851 2.152 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160218 683315720 /nfs/dbraw/zinc/31/57/20/683315720.db2.gz GDQSRGISNQGHCC-SNVBAGLBSA-N 1 0 371.235 2.357 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+]1C ZINC000798173279 683317427 /nfs/dbraw/zinc/31/74/27/683317427.db2.gz WJDLVVPZWALBJN-UWVGGRQHSA-N 1 0 371.235 2.307 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2CCOC)cc1[N+](=O)[O-] ZINC000861031943 683333860 /nfs/dbraw/zinc/33/38/60/683333860.db2.gz DEXRRUKJYUJWLK-AWEZNQCLSA-N 1 0 352.387 2.261 20 5 FEBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928440920 683451445 /nfs/dbraw/zinc/45/14/45/683451445.db2.gz ODASTVMLOFCCSM-RNCFNFMXSA-N 1 0 356.220 2.109 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861985475 683510149 /nfs/dbraw/zinc/51/01/49/683510149.db2.gz WEGLEVQFNGAYED-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000921722813 683557427 /nfs/dbraw/zinc/55/74/27/683557427.db2.gz SCMPVMQEPYSVJS-UHFFFAOYSA-N 1 0 359.473 2.342 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000929472569 683601034 /nfs/dbraw/zinc/60/10/34/683601034.db2.gz FJFONFHEKVHEJQ-CYBMUJFWSA-N 1 0 363.443 2.115 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000862792965 683634679 /nfs/dbraw/zinc/63/46/79/683634679.db2.gz GUBSWEMUZZDHJE-JTQLQIEISA-N 1 0 371.235 2.214 20 5 FEBDRO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000865143335 683941776 /nfs/dbraw/zinc/94/17/76/683941776.db2.gz VSSWNTKNSUZDLU-JTQLQIEISA-N 1 0 370.247 2.499 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000866863716 684170503 /nfs/dbraw/zinc/17/05/03/684170503.db2.gz SIMXRRRMPOHUHI-NWDGAFQWSA-N 1 0 359.423 2.146 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1F ZINC000867268356 684235559 /nfs/dbraw/zinc/23/55/59/684235559.db2.gz RJTCWBVUFUUSEC-GXTWGEPZSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1C ZINC000923733006 684341917 /nfs/dbraw/zinc/34/19/17/684341917.db2.gz ZWHRZOAOEYTXNA-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000867744135 684370686 /nfs/dbraw/zinc/37/06/86/684370686.db2.gz ONINCZMGSJDORT-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868001815 684437857 /nfs/dbraw/zinc/43/78/57/684437857.db2.gz FNBFTZXEDRYYFF-GFCCVEGCSA-N 1 0 367.471 2.341 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000868391755 684489959 /nfs/dbraw/zinc/48/99/59/684489959.db2.gz NPQBSEUFYIRBQY-XHDPSFHLSA-N 1 0 352.822 2.484 20 5 FEBDRO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762123 684583225 /nfs/dbraw/zinc/58/32/25/684583225.db2.gz HPFMFHDDROEHLU-ZWKOPEQDSA-N 1 0 358.236 2.199 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000872020761 684915709 /nfs/dbraw/zinc/91/57/09/684915709.db2.gz KVBMQIPYTJIWCC-NSHDSACASA-N 1 0 373.500 2.391 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000872229230 684929591 /nfs/dbraw/zinc/92/95/91/684929591.db2.gz NMPUXCVPHKNENI-GJZGRUSLSA-N 1 0 350.415 2.131 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910928810 685140425 /nfs/dbraw/zinc/14/04/25/685140425.db2.gz RVNMSEMPSVIZMR-QWHCGFSZSA-N 1 0 369.849 2.094 20 5 FEBDRO C[N@@H+]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877935644 686485029 /nfs/dbraw/zinc/48/50/29/686485029.db2.gz QBOWFDTUTIBCDN-UHFFFAOYSA-N 1 0 351.794 2.436 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000878460090 686589645 /nfs/dbraw/zinc/58/96/45/686589645.db2.gz GHFWFJQMJNMOFA-UHFFFAOYSA-N 1 0 366.809 2.087 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000878640326 686626047 /nfs/dbraw/zinc/62/60/47/686626047.db2.gz HNAWTDCZYBDONJ-QMTHXVAHSA-N 1 0 363.805 2.434 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878640324 686626147 /nfs/dbraw/zinc/62/61/47/686626147.db2.gz HNAWTDCZYBDONJ-HZMBPMFUSA-N 1 0 363.805 2.434 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879273400 686784697 /nfs/dbraw/zinc/78/46/97/686784697.db2.gz JKEQGAXXNNGSMG-SJORKVTESA-N 1 0 352.337 2.404 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC000880388757 687043159 /nfs/dbraw/zinc/04/31/59/687043159.db2.gz UTFJJTRBUKMVQM-SJORKVTESA-N 1 0 362.455 2.332 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000881784899 687214953 /nfs/dbraw/zinc/21/49/53/687214953.db2.gz QDBCCONFZCNNQQ-NSHDSACASA-N 1 0 373.862 2.319 20 5 FEBDRO CC1([NH+]2CCC2)CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000882508263 687380902 /nfs/dbraw/zinc/38/09/02/687380902.db2.gz YVCWNABQLZGQOJ-UHFFFAOYSA-N 1 0 361.427 2.300 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1F ZINC000882767389 687478912 /nfs/dbraw/zinc/47/89/12/687478912.db2.gz MDLYFDSTVMXOCC-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c(C)cc1[N+](=O)[O-] ZINC000883479100 687643604 /nfs/dbraw/zinc/64/36/04/687643604.db2.gz MXMUUVICQXYJKP-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000884954480 687973243 /nfs/dbraw/zinc/97/32/43/687973243.db2.gz FNOZMBXJRDXROK-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO CSc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885879067 688176414 /nfs/dbraw/zinc/17/64/14/688176414.db2.gz CPYMNZJLQVWSGR-CYBMUJFWSA-N 1 0 365.455 2.300 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899782 688336589 /nfs/dbraw/zinc/33/65/89/688336589.db2.gz URMHAYGRNYHBKH-OAHLLOKOSA-N 1 0 373.862 2.403 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891756164 689102338 /nfs/dbraw/zinc/10/23/38/689102338.db2.gz ALVAQTCHPYMPKN-ZIAGYGMSSA-N 1 0 352.822 2.327 20 5 FEBDRO Cn1c2ccccc2c(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1=O ZINC000892796144 689244890 /nfs/dbraw/zinc/24/48/90/689244890.db2.gz IDMJRDCEMGUEQR-KRWDZBQOSA-N 1 0 362.455 2.296 20 5 FEBDRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000899305772 690334300 /nfs/dbraw/zinc/33/43/00/690334300.db2.gz ZOVXQJWAKHTSRF-GFCCVEGCSA-N 1 0 352.778 2.159 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905426790 691117472 /nfs/dbraw/zinc/11/74/72/691117472.db2.gz KKPOWPIYDMEOOX-ZDUSSCGKSA-N 1 0 359.220 2.113 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000905598157 691149045 /nfs/dbraw/zinc/14/90/45/691149045.db2.gz UQVOTYUXUBSGGR-NVXWUHKLSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(CC3CCOCC3)C2)c1 ZINC000905976292 691204508 /nfs/dbraw/zinc/20/45/08/691204508.db2.gz ABLVFXVRXZLMDB-KRWDZBQOSA-N 1 0 350.415 2.083 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)n1 ZINC001164729440 720511893 /nfs/dbraw/zinc/51/18/93/720511893.db2.gz NMZVUESBHJPCTL-GFCCVEGCSA-N 1 0 364.837 2.346 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868326 721047534 /nfs/dbraw/zinc/04/75/34/721047534.db2.gz NTSWVYCIQFWWAO-IRXDYDNUSA-N 1 0 369.425 2.173 20 5 FEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867767 721062341 /nfs/dbraw/zinc/06/23/41/721062341.db2.gz KHFBZZKQKBWFRB-HOTGVXAUSA-N 1 0 373.388 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1Cl ZINC001164966814 722070125 /nfs/dbraw/zinc/07/01/25/722070125.db2.gz DIAKJXPQISTERE-BETUJISGSA-N 1 0 352.822 2.251 20 5 FEBDRO Cc1nn(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000009991655 539511061 /nfs/dbraw/zinc/51/10/61/539511061.db2.gz SCNAQPXXINITKA-UHFFFAOYSA-N 1 0 371.441 2.320 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349482 539785148 /nfs/dbraw/zinc/78/51/48/539785148.db2.gz XVDIFRAJXUIOPC-UHFFFAOYSA-N 1 0 356.382 2.154 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000028066403 539825647 /nfs/dbraw/zinc/82/56/47/539825647.db2.gz NMGRLKDIQYVMIV-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO Nc1nc(Nc2ccc(CC[NH+]3CCSCC3)cc2)ncc1[N+](=O)[O-] ZINC000076269439 542252963 /nfs/dbraw/zinc/25/29/63/542252963.db2.gz AYZMLDUIFYKMFV-UHFFFAOYSA-N 1 0 360.443 2.302 20 5 FEBDRO CC(C)[NH+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000043066018 540087123 /nfs/dbraw/zinc/08/71/23/540087123.db2.gz VIKHODMNHYWHMJ-UHFFFAOYSA-N 1 0 351.451 2.425 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043346933 540097983 /nfs/dbraw/zinc/09/79/83/540097983.db2.gz FKDKLUKGUDPDOQ-UHFFFAOYSA-N 1 0 363.462 2.442 20 5 FEBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000045851937 540231557 /nfs/dbraw/zinc/23/15/57/540231557.db2.gz ABDNJDMFVSIQPH-MRXNPFEDSA-N 1 0 351.407 2.187 20 5 FEBDRO COc1ccc(CSCC(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000046318266 540252099 /nfs/dbraw/zinc/25/20/99/540252099.db2.gz IBOPUDIZJWVTEI-UHFFFAOYSA-N 1 0 355.460 2.293 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000047032398 540286063 /nfs/dbraw/zinc/28/60/63/540286063.db2.gz FOJWGRLBGDSJJN-HNNXBMFYSA-N 1 0 363.439 2.046 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000047147634 540292321 /nfs/dbraw/zinc/29/23/21/540292321.db2.gz ZRWRUGFRDSYSGO-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)C)CC2)cc1OC ZINC000053251744 540520462 /nfs/dbraw/zinc/52/04/62/540520462.db2.gz WOFAGLXZFACXQU-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000053274929 540523071 /nfs/dbraw/zinc/52/30/71/540523071.db2.gz DXULEIPPFARLKZ-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699321 540550385 /nfs/dbraw/zinc/55/03/85/540550385.db2.gz NJUUIDWNOUPJBB-CYBMUJFWSA-N 1 0 355.460 2.384 20 5 FEBDRO O=C(Nc1cnccn1)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000054250807 540577886 /nfs/dbraw/zinc/57/78/86/540577886.db2.gz ZZHNQBOLXMMTDV-UHFFFAOYSA-N 1 0 371.397 2.114 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055295345 540644356 /nfs/dbraw/zinc/64/43/56/540644356.db2.gz KFOJUZQQPBKFCV-HNNXBMFYSA-N 1 0 363.439 2.046 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000056890583 540753894 /nfs/dbraw/zinc/75/38/94/540753894.db2.gz LVZVFGWFTYHOMS-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+](C)C1CC1 ZINC000057720610 540811528 /nfs/dbraw/zinc/81/15/28/540811528.db2.gz XHNGHFVLVVKVKP-CQSZACIVSA-N 1 0 360.458 2.410 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000062120948 541145206 /nfs/dbraw/zinc/14/52/06/541145206.db2.gz JUHDRTIKAOMDCG-TZMCWYRMSA-N 1 0 362.430 2.078 20 5 FEBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000064335830 541201509 /nfs/dbraw/zinc/20/15/09/541201509.db2.gz ADLBTDIZOWBXRJ-UHFFFAOYSA-N 1 0 358.402 2.021 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000065827111 541264574 /nfs/dbraw/zinc/26/45/74/541264574.db2.gz TZGUGXDBBPPDRW-ZBFHGGJFSA-N 1 0 357.414 2.133 20 5 FEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000065841450 541265365 /nfs/dbraw/zinc/26/53/65/541265365.db2.gz RKCZGYFEVZJWGQ-UHFFFAOYSA-N 1 0 359.430 2.258 20 5 FEBDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000066474797 541322970 /nfs/dbraw/zinc/32/29/70/541322970.db2.gz DZWIOTFHJHAUCE-QGZVFWFLSA-N 1 0 358.394 2.401 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000066372801 541309420 /nfs/dbraw/zinc/30/94/20/541309420.db2.gz DMFMLUPPTCHGCO-UHFFFAOYSA-N 1 0 373.442 2.063 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000066372835 541309571 /nfs/dbraw/zinc/30/95/71/541309571.db2.gz XIZYRDJNELNIPA-UHFFFAOYSA-N 1 0 372.385 2.262 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067164368 541427510 /nfs/dbraw/zinc/42/75/10/541427510.db2.gz WIVOASQWVVPXAD-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067165102 541428184 /nfs/dbraw/zinc/42/81/84/541428184.db2.gz CGFOJHZMIULZPK-DOTOQJQBSA-N 1 0 355.398 2.137 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067272094 541438744 /nfs/dbraw/zinc/43/87/44/541438744.db2.gz XNLZVNYYQCJPKA-AWEZNQCLSA-N 1 0 372.429 2.026 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000067273373 541438839 /nfs/dbraw/zinc/43/88/39/541438839.db2.gz RQHNCKASWPIWJE-ZDUSSCGKSA-N 1 0 363.414 2.232 20 5 FEBDRO Cc1ccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067487038 541470580 /nfs/dbraw/zinc/47/05/80/541470580.db2.gz UFWZBQIAGAJVPF-HNNXBMFYSA-N 1 0 350.419 2.118 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000067998327 541537341 /nfs/dbraw/zinc/53/73/41/541537341.db2.gz RLJXYEGUJYKEKJ-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068346463 541579732 /nfs/dbraw/zinc/57/97/32/541579732.db2.gz ROHMDHMWRVZJDD-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000068778747 541627394 /nfs/dbraw/zinc/62/73/94/541627394.db2.gz HCWOMHCPMYHJAK-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000069088624 541656543 /nfs/dbraw/zinc/65/65/43/541656543.db2.gz HXBWLDXGSRLTMH-KRWDZBQOSA-N 1 0 357.410 2.287 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069124588 541660311 /nfs/dbraw/zinc/66/03/11/541660311.db2.gz ZBRDRFCCUQVXBW-KRWDZBQOSA-N 1 0 367.471 2.375 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247388608 549328198 /nfs/dbraw/zinc/32/81/98/549328198.db2.gz LXBYZKTWJKNMKA-SUMWQHHRSA-N 1 0 357.414 2.193 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000072823761 541873284 /nfs/dbraw/zinc/87/32/84/541873284.db2.gz BOIXEZZZIYZGJT-MAUKXSAKSA-N 1 0 360.458 2.364 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073133688 541922224 /nfs/dbraw/zinc/92/22/24/541922224.db2.gz ZKNVNDMMHGWKIU-CYBMUJFWSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000073204615 541929097 /nfs/dbraw/zinc/92/90/97/541929097.db2.gz YHPKJAMCTIVXCO-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832301 542205650 /nfs/dbraw/zinc/20/56/50/542205650.db2.gz BJWYCJHGERJDAO-MRXNPFEDSA-N 1 0 350.415 2.370 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485687 542284001 /nfs/dbraw/zinc/28/40/01/542284001.db2.gz RLNNCOWAIOLFLD-WBMJQRKESA-N 1 0 363.414 2.184 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076659890 542307869 /nfs/dbraw/zinc/30/78/69/542307869.db2.gz PLXWMHUAXDYMBM-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000078426852 542461626 /nfs/dbraw/zinc/46/16/26/542461626.db2.gz PKCSIRXDNHBDDJ-UHFFFAOYSA-N 1 0 353.444 2.049 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000078650952 542474405 /nfs/dbraw/zinc/47/44/05/542474405.db2.gz RSJQVIYXCKOOCV-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079806086 542543699 /nfs/dbraw/zinc/54/36/99/542543699.db2.gz ICOZJDBHUMTEPZ-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO Nc1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000080697453 542602068 /nfs/dbraw/zinc/60/20/68/542602068.db2.gz KJYVHJCNDYERSK-IBGZPJMESA-N 1 0 368.441 2.460 20 5 FEBDRO Cc1nn(C)c(NCC2(C[NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000081033633 542626898 /nfs/dbraw/zinc/62/68/98/542626898.db2.gz MCGOMDACQQQURK-UHFFFAOYSA-N 1 0 351.451 2.331 20 5 FEBDRO Nc1nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000089266239 542759382 /nfs/dbraw/zinc/75/93/82/542759382.db2.gz FHFUFLLCCGMLHD-UHFFFAOYSA-N 1 0 372.429 2.096 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962533 542779756 /nfs/dbraw/zinc/77/97/56/542779756.db2.gz ZECJZEZROZWMNX-IAGOWNOFSA-N 1 0 369.421 2.268 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000092660281 542879639 /nfs/dbraw/zinc/87/96/39/542879639.db2.gz UUCNQZPGPKVWJB-LBPRGKRZSA-N 1 0 351.403 2.090 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000105090248 543157924 /nfs/dbraw/zinc/15/79/24/543157924.db2.gz GBIIIVDNYBXKEK-HNNXBMFYSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106791210 543247466 /nfs/dbraw/zinc/24/74/66/543247466.db2.gz BWKQWDVYRLTNLH-CYBMUJFWSA-N 1 0 363.414 2.115 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000107707524 543276969 /nfs/dbraw/zinc/27/69/69/543276969.db2.gz XNZTVCZCWWVCHD-CQSZACIVSA-N 1 0 371.434 2.373 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110514617 543360023 /nfs/dbraw/zinc/36/00/23/543360023.db2.gz CBSJXHMYXNWHFO-INIZCTEOSA-N 1 0 355.398 2.091 20 5 FEBDRO CCOC(=O)CN1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112078735 543430088 /nfs/dbraw/zinc/43/00/88/543430088.db2.gz FKKLIORXZPRLCH-UHFFFAOYSA-N 1 0 358.398 2.218 20 5 FEBDRO CCOc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000113230544 543478093 /nfs/dbraw/zinc/47/80/93/543478093.db2.gz JPKKHZYVPFQLBW-STQMWFEESA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000116651367 543612412 /nfs/dbraw/zinc/61/24/12/543612412.db2.gz CGSVNXWCIRWPAG-CYBMUJFWSA-N 1 0 351.451 2.179 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119646373 543670185 /nfs/dbraw/zinc/67/01/85/543670185.db2.gz PEZWSUOJULYIEG-SECBINFHSA-N 1 0 352.309 2.405 20 5 FEBDRO COCCCOC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000122763241 543722009 /nfs/dbraw/zinc/72/20/09/543722009.db2.gz CXFAGUCHAJFIIQ-UHFFFAOYSA-N 1 0 365.430 2.441 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123598613 543770883 /nfs/dbraw/zinc/77/08/83/543770883.db2.gz JJBRKHGSLHGGME-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000124406214 543819568 /nfs/dbraw/zinc/81/95/68/543819568.db2.gz DSFAPWMLNFMUNH-UHFFFAOYSA-N 1 0 365.393 2.362 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000124450135 543822781 /nfs/dbraw/zinc/82/27/81/543822781.db2.gz RYHDAUNRMWDDLV-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024484 543856443 /nfs/dbraw/zinc/85/64/43/543856443.db2.gz JOCKNMWYSHTQFQ-IUCAKERBSA-N 1 0 367.349 2.162 20 5 FEBDRO CCOC(=O)c1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000126068266 543916401 /nfs/dbraw/zinc/91/64/01/543916401.db2.gz CBBBORPNSIMLJN-OAHLLOKOSA-N 1 0 365.430 2.276 20 5 FEBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000127851135 544017572 /nfs/dbraw/zinc/01/75/72/544017572.db2.gz RBLCVSHGQMAZNE-GFCCVEGCSA-N 1 0 357.366 2.487 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000127929508 544021492 /nfs/dbraw/zinc/02/14/92/544021492.db2.gz SOXQIHFNTPZJBL-KBPBESRZSA-N 1 0 374.441 2.234 20 5 FEBDRO C[C@@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[NH2+]C1 ZINC000127273949 543982406 /nfs/dbraw/zinc/98/24/06/543982406.db2.gz NVGJGZSWRHHIJJ-JKSUJKDBSA-N 1 0 360.458 2.269 20 5 FEBDRO Cn1cnnc1[C@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129645764 544121750 /nfs/dbraw/zinc/12/17/50/544121750.db2.gz JDMKNRJLTODYIU-CQSZACIVSA-N 1 0 362.365 2.028 20 5 FEBDRO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000130586285 544157060 /nfs/dbraw/zinc/15/70/60/544157060.db2.gz FKKBPFUVNQELMC-ZYHUDNBSSA-N 1 0 373.251 2.034 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000132878975 544247093 /nfs/dbraw/zinc/24/70/93/544247093.db2.gz JNAKDRWFTOWFLW-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000133139786 544257421 /nfs/dbraw/zinc/25/74/21/544257421.db2.gz BPVHFMWZDWJKOF-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000142419220 544416780 /nfs/dbraw/zinc/41/67/80/544416780.db2.gz VLRHHEWCBXGHBR-OAHLLOKOSA-N 1 0 361.398 2.082 20 5 FEBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153119856 544736210 /nfs/dbraw/zinc/73/62/10/544736210.db2.gz SBQKDWFJVDUANA-UHFFFAOYSA-N 1 0 359.430 2.208 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153738177 544815670 /nfs/dbraw/zinc/81/56/70/544815670.db2.gz JNVAJHDHCILSAJ-CQSZACIVSA-N 1 0 353.854 2.250 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000181823349 327748171 /nfs/dbraw/zinc/74/81/71/327748171.db2.gz HXRSDSUUPZKIAU-CYBMUJFWSA-N 1 0 360.414 2.418 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182820892 327790146 /nfs/dbraw/zinc/79/01/46/327790146.db2.gz AUIQLSCJKODKLO-QWRGUYRKSA-N 1 0 368.821 2.176 20 5 FEBDRO COc1ccc(CSCC(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000183330381 327812163 /nfs/dbraw/zinc/81/21/63/327812163.db2.gz SVGQFLOBFZCDRI-UHFFFAOYSA-N 1 0 367.471 2.343 20 5 FEBDRO Cn1cc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccc(F)cc2)cn1 ZINC000184581065 327873897 /nfs/dbraw/zinc/87/38/97/327873897.db2.gz CANVZUMFZXFJOY-SFHVURJKSA-N 1 0 371.372 2.008 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185527395 327920938 /nfs/dbraw/zinc/92/09/38/327920938.db2.gz BWIVJQAJXSDVDA-KRWDZBQOSA-N 1 0 372.421 2.318 20 5 FEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186798380 327983132 /nfs/dbraw/zinc/98/31/32/327983132.db2.gz GPQYABDXGPCGFY-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000188253293 328075871 /nfs/dbraw/zinc/07/58/71/328075871.db2.gz QNPWCWDMXHHYTE-UHFFFAOYSA-N 1 0 369.487 2.275 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000189149781 328131394 /nfs/dbraw/zinc/13/13/94/328131394.db2.gz ZMMPRVTWZMFKJW-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000189861612 328172254 /nfs/dbraw/zinc/17/22/54/328172254.db2.gz FECJWIXQSJODRE-DZGCQCFKSA-N 1 0 362.430 2.240 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190007305 328181961 /nfs/dbraw/zinc/18/19/61/328181961.db2.gz ITIWKHBXDDKQGP-KBPBESRZSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000190036627 328183925 /nfs/dbraw/zinc/18/39/25/328183925.db2.gz ODZRHUGIAQMIMM-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000190184239 328193198 /nfs/dbraw/zinc/19/31/98/328193198.db2.gz RFJFJJVNCFMFEJ-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191155678 328252146 /nfs/dbraw/zinc/25/21/46/328252146.db2.gz ZUBUMFYEDPLAFY-RYUDHWBXSA-N 1 0 351.403 2.166 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000191642029 328275376 /nfs/dbraw/zinc/27/53/76/328275376.db2.gz ZOZOCQCWQRQMHX-STQMWFEESA-N 1 0 365.430 2.141 20 5 FEBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000191991417 328292199 /nfs/dbraw/zinc/29/21/99/328292199.db2.gz CJNBFTQRXNLUDD-QWRGUYRKSA-N 1 0 374.363 2.246 20 5 FEBDRO CN1C(=O)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000192155061 328303521 /nfs/dbraw/zinc/30/35/21/328303521.db2.gz GSLIUDXVZLZIMB-GDBMZVCRSA-N 1 0 363.805 2.006 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC000192512240 328322902 /nfs/dbraw/zinc/32/29/02/328322902.db2.gz BSEVHYRNDJTKLQ-BETUJISGSA-N 1 0 358.423 2.352 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000192560713 328325904 /nfs/dbraw/zinc/32/59/04/328325904.db2.gz BBHZQJBLQMOFNI-UHFFFAOYSA-N 1 0 374.445 2.023 20 5 FEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000192942594 328347979 /nfs/dbraw/zinc/34/79/79/328347979.db2.gz USSKSGMSIUKWRV-UHFFFAOYSA-N 1 0 366.443 2.105 20 5 FEBDRO CCC(CC)(C[NH3+])NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000236751649 328493512 /nfs/dbraw/zinc/49/35/12/328493512.db2.gz VYZYOJPPPVNPHP-UHFFFAOYSA-N 1 0 355.460 2.470 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCC2)cc1OC ZINC000053287995 324737062 /nfs/dbraw/zinc/73/70/62/324737062.db2.gz HCRJPIHFLYOOLD-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053512538 324742674 /nfs/dbraw/zinc/74/26/74/324742674.db2.gz JKDZFKJHNQJOOG-UHFFFAOYSA-N 1 0 371.441 2.457 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237182945 328507810 /nfs/dbraw/zinc/50/78/10/328507810.db2.gz YVXPGFMIMFUZSE-NEPJUHHUSA-N 1 0 355.822 2.474 20 5 FEBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237434886 328516046 /nfs/dbraw/zinc/51/60/46/328516046.db2.gz SLPPSMIHFLSCCS-VXNVDRBHSA-N 1 0 368.242 2.402 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000081048255 325156986 /nfs/dbraw/zinc/15/69/86/325156986.db2.gz BQPDEEVJLLLSCG-CQSZACIVSA-N 1 0 361.320 2.231 20 5 FEBDRO Nc1c(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000081293441 325168525 /nfs/dbraw/zinc/16/85/25/325168525.db2.gz LBHACNIKYDJODH-CYBMUJFWSA-N 1 0 350.394 2.310 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083171072 325214053 /nfs/dbraw/zinc/21/40/53/325214053.db2.gz NQZKNHZXSCCWGZ-MRXNPFEDSA-N 1 0 373.457 2.338 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000087250959 325278026 /nfs/dbraw/zinc/27/80/26/325278026.db2.gz HRNKJPSTVPTYGQ-UHFFFAOYSA-N 1 0 370.409 2.280 20 5 FEBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237842574 328530977 /nfs/dbraw/zinc/53/09/77/328530977.db2.gz WKGMTPVTEGIHDY-CQSZACIVSA-N 1 0 350.375 2.449 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000090519091 325361946 /nfs/dbraw/zinc/36/19/46/325361946.db2.gz LHPLJLKOIGMQJH-SFHVURJKSA-N 1 0 357.410 2.438 20 5 FEBDRO CC(=O)N(C)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092538092 325418783 /nfs/dbraw/zinc/41/87/83/325418783.db2.gz JFGAHBOWWWDSJV-UHFFFAOYSA-N 1 0 371.441 2.438 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000098098790 325466299 /nfs/dbraw/zinc/46/62/99/325466299.db2.gz GOBQYIUVYHHPPA-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c1 ZINC000104520733 325539928 /nfs/dbraw/zinc/53/99/28/325539928.db2.gz CRJTWHZMMCHMAO-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000106828973 325612200 /nfs/dbraw/zinc/61/22/00/325612200.db2.gz RSLYAVTYFYUHEI-UHFFFAOYSA-N 1 0 371.441 2.128 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116372149 326010139 /nfs/dbraw/zinc/01/01/39/326010139.db2.gz GZFHFTMCUIHQDD-HNNXBMFYSA-N 1 0 357.476 2.381 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245778272 328572048 /nfs/dbraw/zinc/57/20/48/328572048.db2.gz QCDVQPQMTCYAHY-YYWXWVFPSA-N 1 0 363.414 2.478 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118112786 326082228 /nfs/dbraw/zinc/08/22/28/326082228.db2.gz NEYVLLMOXDKBJO-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000118787539 326102322 /nfs/dbraw/zinc/10/23/22/326102322.db2.gz CEMZEDFYVFYWPT-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)C[NH+](C)C ZINC000119404522 326158565 /nfs/dbraw/zinc/15/85/65/326158565.db2.gz FNTVYHSZCCPOSU-CYBMUJFWSA-N 1 0 359.430 2.487 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000119446082 326163420 /nfs/dbraw/zinc/16/34/20/326163420.db2.gz NOCPUDGYWGZQAH-LLVKDONJSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000119445956 326163612 /nfs/dbraw/zinc/16/36/12/326163612.db2.gz NOCPUDGYWGZQAH-NSHDSACASA-N 1 0 373.862 2.319 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119545341 326174193 /nfs/dbraw/zinc/17/41/93/326174193.db2.gz IIXFYPQJRJJFJR-AWEZNQCLSA-N 1 0 365.430 2.076 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000119778939 326197269 /nfs/dbraw/zinc/19/72/69/326197269.db2.gz SKYBNQFLDULPKZ-NSHDSACASA-N 1 0 356.220 2.490 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000119779169 326197409 /nfs/dbraw/zinc/19/74/09/326197409.db2.gz SNULBIQLCBMCQH-HNNXBMFYSA-N 1 0 371.441 2.488 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000120555217 326268106 /nfs/dbraw/zinc/26/81/06/326268106.db2.gz YTOKAWHXJWDTKO-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000121300945 326328208 /nfs/dbraw/zinc/32/82/08/326328208.db2.gz LKEQCTOUEHICHI-UHFFFAOYSA-N 1 0 363.414 2.165 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000121686109 326358198 /nfs/dbraw/zinc/35/81/98/326358198.db2.gz PFOBTRJYMQZMSQ-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121720521 326361169 /nfs/dbraw/zinc/36/11/69/326361169.db2.gz DVFYXHCGKCCQQF-UHFFFAOYSA-N 1 0 350.419 2.114 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000122170189 326386555 /nfs/dbraw/zinc/38/65/55/326386555.db2.gz XHKABQBELVZLOY-ZBFHGGJFSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000122280604 326390714 /nfs/dbraw/zinc/39/07/14/326390714.db2.gz KSTSXWQPPVSDHV-DOTOQJQBSA-N 1 0 372.425 2.224 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123310649 326427078 /nfs/dbraw/zinc/42/70/78/326427078.db2.gz UTYZSLKARZWIFF-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151644298 326687672 /nfs/dbraw/zinc/68/76/72/326687672.db2.gz QCEBGAJNAOMZTO-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000154173454 326753294 /nfs/dbraw/zinc/75/32/94/326753294.db2.gz QWDVSPOCFDOYBX-ZFWWWQNUSA-N 1 0 365.430 2.282 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160141957 326954860 /nfs/dbraw/zinc/95/48/60/326954860.db2.gz PSRPKIAOWBSAOF-MRXNPFEDSA-N 1 0 367.471 2.375 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162185287 327019003 /nfs/dbraw/zinc/01/90/03/327019003.db2.gz XXUBAENWHXVDCU-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000162230301 327020443 /nfs/dbraw/zinc/02/04/43/327020443.db2.gz TVXFTXLEZDSSKK-HOTGVXAUSA-N 1 0 360.458 2.225 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000162959490 327038860 /nfs/dbraw/zinc/03/88/60/327038860.db2.gz GOTFUDGOTHEGIW-INIZCTEOSA-N 1 0 371.503 2.423 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000163612911 327055151 /nfs/dbraw/zinc/05/51/51/327055151.db2.gz GPWUFZHDHALEOS-GDBMZVCRSA-N 1 0 369.487 2.129 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000164813731 327074399 /nfs/dbraw/zinc/07/43/99/327074399.db2.gz ICYAHVXZNFZFKR-KRWDZBQOSA-N 1 0 373.409 2.457 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000165473281 327077999 /nfs/dbraw/zinc/07/79/99/327077999.db2.gz FHAIKIBBOCVXMP-UHFFFAOYSA-N 1 0 361.427 2.129 20 5 FEBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000169189025 327088234 /nfs/dbraw/zinc/08/82/34/327088234.db2.gz OEAXFBGBXYONFS-DHSIGJKJSA-N 1 0 369.425 2.339 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171127670 327119966 /nfs/dbraw/zinc/11/99/66/327119966.db2.gz ACAZUQVGJHUQNI-UHFFFAOYSA-N 1 0 364.427 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000171903481 327168934 /nfs/dbraw/zinc/16/89/34/327168934.db2.gz RIIURTDWHVTUQM-UHFFFAOYSA-N 1 0 350.419 2.275 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173259855 327244805 /nfs/dbraw/zinc/24/48/05/327244805.db2.gz IPIGHEZTMUJLDO-CJNGLKHVSA-N 1 0 355.460 2.087 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173288286 327247135 /nfs/dbraw/zinc/24/71/35/327247135.db2.gz YOTARQXFUBGLIY-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000173609599 327270493 /nfs/dbraw/zinc/27/04/93/327270493.db2.gz SXUPROAIXQMPLZ-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000173828132 327287246 /nfs/dbraw/zinc/28/72/46/327287246.db2.gz JJHDEDZOXVDWHV-HOCLYGCPSA-N 1 0 367.471 2.405 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000173850322 327288870 /nfs/dbraw/zinc/28/88/70/327288870.db2.gz BEJGLRSZNFWGNN-QWHCGFSZSA-N 1 0 371.434 2.370 20 5 FEBDRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000174650311 327341529 /nfs/dbraw/zinc/34/15/29/327341529.db2.gz BRVMFHLLIWCAAI-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708287 327344668 /nfs/dbraw/zinc/34/46/68/327344668.db2.gz LMEVEQFVHJRTFR-AAEUAGOBSA-N 1 0 361.427 2.455 20 5 FEBDRO CC1CCC(O)(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000174791404 327351558 /nfs/dbraw/zinc/35/15/58/327351558.db2.gz QYFYLERUDDTAEA-UHFFFAOYSA-N 1 0 361.442 2.294 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c(S(=O)(=O)N2CCCC2)c1 ZINC000175006297 327367497 /nfs/dbraw/zinc/36/74/97/327367497.db2.gz AFVOFSNBGAFSBF-UHFFFAOYSA-N 1 0 374.422 2.469 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170659 327377957 /nfs/dbraw/zinc/37/79/57/327377957.db2.gz UGLAULVYRCYQBC-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176288236 327446413 /nfs/dbraw/zinc/44/64/13/327446413.db2.gz JMDHPIFTYNUFBZ-UHFFFAOYSA-N 1 0 371.441 2.128 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000177772315 327543950 /nfs/dbraw/zinc/54/39/50/327543950.db2.gz DHJQVHKUBSIFKU-CQSZACIVSA-N 1 0 363.439 2.365 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000178820915 327609208 /nfs/dbraw/zinc/60/92/08/327609208.db2.gz WPSBAVGICWQNIO-LLVKDONJSA-N 1 0 351.403 2.202 20 5 FEBDRO C[C@H]([NH3+])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000178827339 327609653 /nfs/dbraw/zinc/60/96/53/327609653.db2.gz VNRRGYQCZFRYQN-JTQLQIEISA-N 1 0 370.247 2.486 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]12 ZINC000248696290 328735832 /nfs/dbraw/zinc/73/58/32/328735832.db2.gz YVSVUROITOPWMG-HRCADAONSA-N 1 0 358.442 2.007 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000261548762 328803523 /nfs/dbraw/zinc/80/35/23/328803523.db2.gz DLLUQPXUIFKZQY-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000261755862 328817104 /nfs/dbraw/zinc/81/71/04/328817104.db2.gz FNZXUGQLCIPZMD-GYABFAJESA-N 1 0 369.425 2.416 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262843516 328894196 /nfs/dbraw/zinc/89/41/96/328894196.db2.gz UFLYOHUBWKDLRK-QGZVFWFLSA-N 1 0 371.441 2.469 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264557335 329035407 /nfs/dbraw/zinc/03/54/07/329035407.db2.gz DWGHPVMGYQZFSS-CYBMUJFWSA-N 1 0 361.398 2.066 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639965 329043604 /nfs/dbraw/zinc/04/36/04/329043604.db2.gz XJTWGPXYXBVGRK-KRWDZBQOSA-N 1 0 362.474 2.076 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264942406 329077024 /nfs/dbraw/zinc/07/70/24/329077024.db2.gz WIHWGDCCJOGOKO-CQSZACIVSA-N 1 0 374.441 2.344 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265093333 329090149 /nfs/dbraw/zinc/09/01/49/329090149.db2.gz OJEYKXOTKAZRTG-GFCCVEGCSA-N 1 0 364.320 2.405 20 5 FEBDRO CC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000267297179 329311846 /nfs/dbraw/zinc/31/18/46/329311846.db2.gz DXHCIHLTDLUADA-MRXNPFEDSA-N 1 0 352.435 2.313 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324449 329314984 /nfs/dbraw/zinc/31/49/84/329314984.db2.gz ZMSTYQVEMWZKRS-STQMWFEESA-N 1 0 353.444 2.061 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000267371014 329320174 /nfs/dbraw/zinc/32/01/74/329320174.db2.gz YGNBCNFSBGJRHZ-CQSZACIVSA-N 1 0 350.419 2.087 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)n1 ZINC000270762090 329629392 /nfs/dbraw/zinc/62/93/92/329629392.db2.gz FSPGSFXEQLMOBC-UHFFFAOYSA-N 1 0 367.793 2.174 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272515431 329787137 /nfs/dbraw/zinc/78/71/37/329787137.db2.gz KBMSCBYSLGLVHO-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000273374919 329859705 /nfs/dbraw/zinc/85/97/05/329859705.db2.gz HMRMGHSTICEIFR-VXGBXAGGSA-N 1 0 354.382 2.355 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000273520876 329871392 /nfs/dbraw/zinc/87/13/92/329871392.db2.gz OCPNAWAYMPZDGY-LLVKDONJSA-N 1 0 359.423 2.085 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273526656 329871805 /nfs/dbraw/zinc/87/18/05/329871805.db2.gz ZTBBAPQZLGIDOD-ZDUSSCGKSA-N 1 0 364.446 2.475 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1F ZINC000273550779 329873821 /nfs/dbraw/zinc/87/38/21/329873821.db2.gz VWFQEPLSQVUPGM-GFCCVEGCSA-N 1 0 373.450 2.393 20 5 FEBDRO C[NH+](C)CCOc1ccccc1-c1noc(CCn2cc([N+](=O)[O-])cn2)n1 ZINC000273792420 329892173 /nfs/dbraw/zinc/89/21/73/329892173.db2.gz GTGPAZROSDHUFT-UHFFFAOYSA-N 1 0 372.385 2.024 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000275173893 330018405 /nfs/dbraw/zinc/01/84/05/330018405.db2.gz BYUOGDKHAYXQHG-LNSITVRQSA-N 1 0 351.403 2.478 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275882990 330099650 /nfs/dbraw/zinc/09/96/50/330099650.db2.gz OMEIPXHPHJIIQP-ZDUSSCGKSA-N 1 0 362.430 2.030 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000275882987 330099686 /nfs/dbraw/zinc/09/96/86/330099686.db2.gz OMEIPXHPHJIIQP-CYBMUJFWSA-N 1 0 362.430 2.030 20 5 FEBDRO COCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433178010 330274822 /nfs/dbraw/zinc/27/48/22/330274822.db2.gz BJXMFVSWWTZRNP-AWEZNQCLSA-N 1 0 353.444 2.038 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000804775603 674300714 /nfs/dbraw/zinc/30/07/14/674300714.db2.gz LQDYWQDGDPJOML-LBPRGKRZSA-N 1 0 350.375 2.416 20 5 FEBDRO NC(=O)c1ccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000158728278 545890748 /nfs/dbraw/zinc/89/07/48/545890748.db2.gz OCJWXGWKAATBBG-FQEVSTJZSA-N 1 0 367.405 2.368 20 5 FEBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478301344 561163960 /nfs/dbraw/zinc/16/39/60/561163960.db2.gz WJHPMUVYHBLMAH-UHFFFAOYSA-N 1 0 373.450 2.274 20 5 FEBDRO CC(C)(CNC(=O)NCCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000478405971 561166043 /nfs/dbraw/zinc/16/60/43/561166043.db2.gz SYKSFDVIFYOWHR-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160413970 546039021 /nfs/dbraw/zinc/03/90/21/546039021.db2.gz MARKFXUYIQOGHK-DZGCQCFKSA-N 1 0 367.471 2.462 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000161126327 546102577 /nfs/dbraw/zinc/10/25/77/546102577.db2.gz OZJACOMEQACDJQ-RKDXNWHRSA-N 1 0 359.329 2.205 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000161308404 546118813 /nfs/dbraw/zinc/11/88/13/546118813.db2.gz VLHZJRTWYZQBLX-GDBMZVCRSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161310263 546119386 /nfs/dbraw/zinc/11/93/86/546119386.db2.gz WYVUOYOGOIWKJK-UHFFFAOYSA-N 1 0 355.398 2.059 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639336 546168077 /nfs/dbraw/zinc/16/80/77/546168077.db2.gz KMMMUIWGZJRRSJ-AWEZNQCLSA-N 1 0 362.430 2.248 20 5 FEBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479543508 561191771 /nfs/dbraw/zinc/19/17/71/561191771.db2.gz KRMKWPMCBYAJIX-RHSMWYFYSA-N 1 0 367.471 2.455 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175938185 546376014 /nfs/dbraw/zinc/37/60/14/546376014.db2.gz KYDXGCZGNDHUAC-ZIAGYGMSSA-N 1 0 350.419 2.275 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175938200 546376149 /nfs/dbraw/zinc/37/61/49/546376149.db2.gz KYDXGCZGNDHUAC-KGLIPLIRSA-N 1 0 350.419 2.275 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000176193690 546418140 /nfs/dbraw/zinc/41/81/40/546418140.db2.gz FGFZBEPOTMHJAQ-UHFFFAOYSA-N 1 0 364.446 2.283 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000480277449 561206310 /nfs/dbraw/zinc/20/63/10/561206310.db2.gz WWXNRSUDXLUEJU-QGZVFWFLSA-N 1 0 366.487 2.340 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000176285229 546426951 /nfs/dbraw/zinc/42/69/51/546426951.db2.gz WANNZTXJTOGVTH-CYBMUJFWSA-N 1 0 353.423 2.123 20 5 FEBDRO C[N@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177062626 546536159 /nfs/dbraw/zinc/53/61/59/546536159.db2.gz CATMROHRSVRMNU-UHFFFAOYSA-N 1 0 361.373 2.361 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178307640 546773390 /nfs/dbraw/zinc/77/33/90/546773390.db2.gz GJSCUXJNEYMIQI-HZPDHXFCSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000481375569 561231682 /nfs/dbraw/zinc/23/16/82/561231682.db2.gz PGGKLDMXZYMLFN-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000482039795 561247683 /nfs/dbraw/zinc/24/76/83/561247683.db2.gz TVJDVQVGMCFGKL-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000180582661 547135111 /nfs/dbraw/zinc/13/51/11/547135111.db2.gz SWMKGGBHGAPCJF-UKRRQHHQSA-N 1 0 369.425 2.355 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181290158 547287556 /nfs/dbraw/zinc/28/75/56/547287556.db2.gz XONUNDHLTGCOBM-HNNXBMFYSA-N 1 0 367.413 2.456 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181484438 547322169 /nfs/dbraw/zinc/32/21/69/547322169.db2.gz AJVQJEFOUYJTMD-BBRMVZONSA-N 1 0 365.430 2.415 20 5 FEBDRO CN1CCN([C@H]2CCCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909915 547571155 /nfs/dbraw/zinc/57/11/55/547571155.db2.gz FRFROMJPJXADKD-SFHVURJKSA-N 1 0 362.474 2.076 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000183408061 547653385 /nfs/dbraw/zinc/65/33/85/547653385.db2.gz SEIKVDVYRBKRLN-MRXNPFEDSA-N 1 0 355.398 2.139 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183652860 547696755 /nfs/dbraw/zinc/69/67/55/547696755.db2.gz OBYGFGHVDBAKPT-HNNXBMFYSA-N 1 0 353.419 2.319 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183662501 547697285 /nfs/dbraw/zinc/69/72/85/547697285.db2.gz QIODNEQPDRYGLV-INIZCTEOSA-N 1 0 369.487 2.321 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638223 561301949 /nfs/dbraw/zinc/30/19/49/561301949.db2.gz XAZZDBDBYKJAFM-XNRPHZJLSA-N 1 0 351.403 2.014 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000184922959 547901563 /nfs/dbraw/zinc/90/15/63/547901563.db2.gz AUINQXGPSFQMAR-WUKNDPDISA-N 1 0 372.469 2.238 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185489016 547991912 /nfs/dbraw/zinc/99/19/12/547991912.db2.gz DQJMRIYKMZVCRN-JSGCOSHPSA-N 1 0 355.410 2.310 20 5 FEBDRO CSc1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000485500221 561320581 /nfs/dbraw/zinc/32/05/81/561320581.db2.gz XTJGVRBRONLNIB-DGCLKSJQSA-N 1 0 355.485 2.434 20 5 FEBDRO C[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000186374256 548125987 /nfs/dbraw/zinc/12/59/87/548125987.db2.gz JWPIFTXACYNEMZ-LBPRGKRZSA-N 1 0 353.394 2.064 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186991928 548237304 /nfs/dbraw/zinc/23/73/04/548237304.db2.gz WGLPCLDQKGHZHQ-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193944890 548410587 /nfs/dbraw/zinc/41/05/87/548410587.db2.gz SSAUKVFANDLJST-UHFFFAOYSA-N 1 0 362.430 2.277 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194925022 548552458 /nfs/dbraw/zinc/55/24/58/548552458.db2.gz XJLJZDSWWGHTRP-ZDUSSCGKSA-N 1 0 361.402 2.432 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CC[NH+](CC4CCOCC4)CC3)n2)cc1 ZINC000486961562 561360343 /nfs/dbraw/zinc/36/03/43/561360343.db2.gz CPVCWTUFTBEVRQ-UHFFFAOYSA-N 1 0 373.413 2.193 20 5 FEBDRO CCc1nn(C)c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000195271017 548608023 /nfs/dbraw/zinc/60/80/23/548608023.db2.gz NWXJRIQXCKICHI-INIZCTEOSA-N 1 0 373.457 2.460 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237373092 548821576 /nfs/dbraw/zinc/82/15/76/548821576.db2.gz BDJXBZNKMYXDEH-CYBMUJFWSA-N 1 0 355.398 2.208 20 5 FEBDRO [NH3+]C[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000237859846 548858952 /nfs/dbraw/zinc/85/89/52/548858952.db2.gz BWZXWTZBWGWSFF-LBPRGKRZSA-N 1 0 360.336 2.269 20 5 FEBDRO CC(C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000487914578 561378689 /nfs/dbraw/zinc/37/86/89/561378689.db2.gz JFJSNVQRHAUNKL-QGZVFWFLSA-N 1 0 357.458 2.249 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245771116 548992676 /nfs/dbraw/zinc/99/26/76/548992676.db2.gz XFJRMUDBQUWWMM-YOEHRIQHSA-N 1 0 369.487 2.129 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000246150961 549063767 /nfs/dbraw/zinc/06/37/67/549063767.db2.gz LAOXYFNAQLSEKK-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246328529 549107364 /nfs/dbraw/zinc/10/73/64/549107364.db2.gz KZERZRSALOWNQK-YPMHNXCESA-N 1 0 352.822 2.355 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000246555992 549161223 /nfs/dbraw/zinc/16/12/23/549161223.db2.gz KQFDIIWDNQMYJN-IAGOWNOFSA-N 1 0 350.415 2.116 20 5 FEBDRO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488770292 561396766 /nfs/dbraw/zinc/39/67/66/561396766.db2.gz PBVFEVUIAOFIGJ-OAHLLOKOSA-N 1 0 371.441 2.176 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000246806142 549217399 /nfs/dbraw/zinc/21/73/99/549217399.db2.gz AJBXVDKDKQFQNF-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000246927495 549244343 /nfs/dbraw/zinc/24/43/43/549244343.db2.gz JPTKEIWYNHMEHL-KGLIPLIRSA-N 1 0 363.414 2.067 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000488994547 561401357 /nfs/dbraw/zinc/40/13/57/561401357.db2.gz GAPZERRLAQCYTF-ZDUSSCGKSA-N 1 0 372.491 2.235 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248469896 549446756 /nfs/dbraw/zinc/44/67/56/549446756.db2.gz UVKFIUOIUUWEEY-IRXDYDNUSA-N 1 0 363.458 2.142 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCO[C@H]1C ZINC000489442791 561411476 /nfs/dbraw/zinc/41/14/76/561411476.db2.gz WOTWPFQGDSRCBA-WMLDXEAASA-N 1 0 365.430 2.358 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000248693532 549484842 /nfs/dbraw/zinc/48/48/42/549484842.db2.gz YGHPENXCZXHXHG-AQUOVQTQSA-N 1 0 354.204 2.167 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249492403 549596507 /nfs/dbraw/zinc/59/65/07/549596507.db2.gz FNHIQTJUGRLFMN-GJZGRUSLSA-N 1 0 351.447 2.269 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249659173 549615466 /nfs/dbraw/zinc/61/54/66/549615466.db2.gz VVCWICDKCQEHEK-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000489831115 561420009 /nfs/dbraw/zinc/42/00/09/561420009.db2.gz AOVWGCCVNWJDPM-NSHDSACASA-N 1 0 372.351 2.423 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000253358743 549683963 /nfs/dbraw/zinc/68/39/63/549683963.db2.gz RTLDUQBARJXQEQ-OCCSQVGLSA-N 1 0 362.430 2.078 20 5 FEBDRO COCC1(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261687168 549743032 /nfs/dbraw/zinc/74/30/32/549743032.db2.gz HYIGDPJLVXARTB-CYBMUJFWSA-N 1 0 367.471 2.208 20 5 FEBDRO COc1ccc(OCCN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261715933 549746604 /nfs/dbraw/zinc/74/66/04/549746604.db2.gz KTYLCSHFKVVQGS-DLBZAZTESA-N 1 0 357.410 2.409 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261766817 549753271 /nfs/dbraw/zinc/75/32/71/549753271.db2.gz QIRIAMFOZMHVCV-QWRGUYRKSA-N 1 0 361.851 2.223 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261947250 549773023 /nfs/dbraw/zinc/77/30/23/549773023.db2.gz YLSBWYKFDUQCFU-VYDXJSESSA-N 1 0 360.458 2.236 20 5 FEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000262168571 549794517 /nfs/dbraw/zinc/79/45/17/549794517.db2.gz YLKNEYXCZQGMFU-CQSZACIVSA-N 1 0 361.320 2.347 20 5 FEBDRO CS[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000490860392 561439380 /nfs/dbraw/zinc/43/93/80/561439380.db2.gz ROROUIMRCZDAST-CABCVRRESA-N 1 0 351.472 2.376 20 5 FEBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000263976215 549962908 /nfs/dbraw/zinc/96/29/08/549962908.db2.gz ZKBKPASAEFEHFR-UHFFFAOYSA-N 1 0 374.445 2.417 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268535771 550083372 /nfs/dbraw/zinc/08/33/72/550083372.db2.gz JSMUYENHMAJPRP-QGZVFWFLSA-N 1 0 371.441 2.223 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@@H]21 ZINC000268831396 550121238 /nfs/dbraw/zinc/12/12/38/550121238.db2.gz MKVMUJTULZBPTE-HIFRSBDPSA-N 1 0 360.414 2.472 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000268971348 550138954 /nfs/dbraw/zinc/13/89/54/550138954.db2.gz MXFOTBAECFWNNI-CVEARBPZSA-N 1 0 365.455 2.438 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000268975589 550139830 /nfs/dbraw/zinc/13/98/30/550139830.db2.gz OVKSCCFOZSRNIN-CJNGLKHVSA-N 1 0 354.428 2.189 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)nc2)C1 ZINC000269438965 550195651 /nfs/dbraw/zinc/19/56/51/550195651.db2.gz QHPOCKZFWOEUPO-CYBMUJFWSA-N 1 0 361.427 2.444 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000493036943 561454286 /nfs/dbraw/zinc/45/42/86/561454286.db2.gz XHXMCBGSXCJDPE-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)cc1OC ZINC000270579493 550285724 /nfs/dbraw/zinc/28/57/24/550285724.db2.gz QEXTWUYGDQBTDX-UHFFFAOYSA-N 1 0 361.398 2.296 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000270696037 550298024 /nfs/dbraw/zinc/29/80/24/550298024.db2.gz RYQBAHSAUXETTN-CQSZACIVSA-N 1 0 360.414 2.043 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271143785 550344857 /nfs/dbraw/zinc/34/48/57/550344857.db2.gz OWTYOHBBEXGQNT-JSGCOSHPSA-N 1 0 371.459 2.068 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000272457604 550449979 /nfs/dbraw/zinc/44/99/79/550449979.db2.gz GTVACCCDRFTISO-OAHLLOKOSA-N 1 0 364.833 2.446 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273499473 550500557 /nfs/dbraw/zinc/50/05/57/550500557.db2.gz UWICHUMTYYIIRJ-UHFFFAOYSA-N 1 0 354.382 2.091 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000274133130 550524501 /nfs/dbraw/zinc/52/45/01/550524501.db2.gz CWHAWIQCQGMPSA-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814533 550556902 /nfs/dbraw/zinc/55/69/02/550556902.db2.gz IPFGBPNXOPWOHO-LPHOPBHVSA-N 1 0 370.453 2.257 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276992749 550619380 /nfs/dbraw/zinc/61/93/80/550619380.db2.gz UZWICHZGPAUPPY-UHFFFAOYSA-N 1 0 356.382 2.391 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494883872 561478477 /nfs/dbraw/zinc/47/84/77/561478477.db2.gz UJENUUAQUKLOAE-DMDPSCGWSA-N 1 0 353.806 2.226 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494892388 561478584 /nfs/dbraw/zinc/47/85/84/561478584.db2.gz MBFLMDAMQSLMBB-GXFFZTMASA-N 1 0 373.331 2.360 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277630398 550694177 /nfs/dbraw/zinc/69/41/77/550694177.db2.gz BEUJPFWASLSWFE-ZFWWWQNUSA-N 1 0 350.806 2.190 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277686687 550701502 /nfs/dbraw/zinc/70/15/02/550701502.db2.gz GSVVWZQTABFWNY-WMZOPIPTSA-N 1 0 374.441 2.323 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)c1 ZINC000277839831 550720180 /nfs/dbraw/zinc/72/01/80/550720180.db2.gz YALACBPNTNSFPA-UHFFFAOYSA-N 1 0 374.372 2.408 20 5 FEBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000277900663 550727038 /nfs/dbraw/zinc/72/70/38/550727038.db2.gz WQBNERHRUPSQKW-UHFFFAOYSA-N 1 0 373.413 2.312 20 5 FEBDRO CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000278314466 550771824 /nfs/dbraw/zinc/77/18/24/550771824.db2.gz HKBNUDNABJBVTG-WDEREUQCSA-N 1 0 350.366 2.490 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278558081 550799052 /nfs/dbraw/zinc/79/90/52/550799052.db2.gz AOGRZKVIYDQJHZ-UHFFFAOYSA-N 1 0 374.445 2.344 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000278782155 550821375 /nfs/dbraw/zinc/82/13/75/550821375.db2.gz VQLSBYWQIMQZFZ-AWEZNQCLSA-N 1 0 372.429 2.241 20 5 FEBDRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278837435 550827346 /nfs/dbraw/zinc/82/73/46/550827346.db2.gz UPCGKKVDJYAAKF-SFHVURJKSA-N 1 0 360.458 2.114 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000278887919 550832676 /nfs/dbraw/zinc/83/26/76/550832676.db2.gz PVZJTPIELBPCFK-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280566608 551008374 /nfs/dbraw/zinc/00/83/74/551008374.db2.gz RQBIRKIVNGGRHO-RDTXWAMCSA-N 1 0 363.414 2.112 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(OC)c2)[NH+](C)C)n1 ZINC000280651611 551017471 /nfs/dbraw/zinc/01/74/71/551017471.db2.gz AEHOURHHRFHVAZ-INIZCTEOSA-N 1 0 374.397 2.500 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000281506759 551106313 /nfs/dbraw/zinc/10/63/13/551106313.db2.gz LECNYOYDRBEWRA-UHFFFAOYSA-N 1 0 360.418 2.098 20 5 FEBDRO COc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000281576090 551115397 /nfs/dbraw/zinc/11/53/97/551115397.db2.gz FMBACBOAQVCJQE-UHFFFAOYSA-N 1 0 352.435 2.050 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000281714134 551133937 /nfs/dbraw/zinc/13/39/37/551133937.db2.gz DIPICNYFGNAQSY-PBHICJAKSA-N 1 0 370.365 2.318 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497534552 561503402 /nfs/dbraw/zinc/50/34/02/561503402.db2.gz RDSNNFZHQFJZMB-AWEZNQCLSA-N 1 0 367.471 2.166 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157270 551320775 /nfs/dbraw/zinc/32/07/75/551320775.db2.gz CTLRIEYBOSKLSG-JSGCOSHPSA-N 1 0 361.320 2.311 20 5 FEBDRO Cc1cc(F)c(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000283672148 551406964 /nfs/dbraw/zinc/40/69/64/551406964.db2.gz DZPNWFKSWTYHBS-LBPRGKRZSA-N 1 0 367.425 2.047 20 5 FEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000283982603 551461791 /nfs/dbraw/zinc/46/17/91/551461791.db2.gz FUEWKUXFKNMPTC-ZBFHGGJFSA-N 1 0 353.375 2.159 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549147 561527832 /nfs/dbraw/zinc/52/78/32/561527832.db2.gz GBTLKMFDFCJUQP-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284963363 551677973 /nfs/dbraw/zinc/67/79/73/551677973.db2.gz FNHUJRUGHBSAKU-GFCCVEGCSA-N 1 0 358.398 2.153 20 5 FEBDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285293051 551732988 /nfs/dbraw/zinc/73/29/88/551732988.db2.gz RSFHNXPRQVWSEC-OTYXRUKQSA-N 1 0 373.335 2.011 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285328721 551738930 /nfs/dbraw/zinc/73/89/30/551738930.db2.gz NROGRPKDOWGCFK-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285366323 551744597 /nfs/dbraw/zinc/74/45/97/551744597.db2.gz QRDZVCWXQGNJTN-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000286343649 551876790 /nfs/dbraw/zinc/87/67/90/551876790.db2.gz KZDMQDVEGNRVQX-UHFFFAOYSA-N 1 0 372.853 2.207 20 5 FEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286368621 551879599 /nfs/dbraw/zinc/87/95/99/551879599.db2.gz HVXULFUWUZUDJS-HNNXBMFYSA-N 1 0 363.414 2.342 20 5 FEBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000288012874 552074739 /nfs/dbraw/zinc/07/47/39/552074739.db2.gz CAQSPDWFGJTWQI-AWEZNQCLSA-N 1 0 361.402 2.138 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500143480 561566726 /nfs/dbraw/zinc/56/67/26/561566726.db2.gz YTCJUPKVMRIYJG-AWEZNQCLSA-N 1 0 361.320 2.313 20 5 FEBDRO CN1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000289474087 552327122 /nfs/dbraw/zinc/32/71/22/552327122.db2.gz XHIJOUAORNOIHG-HZPDHXFCSA-N 1 0 351.357 2.105 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000500548596 561576695 /nfs/dbraw/zinc/57/66/95/561576695.db2.gz VFPPDBIMLZJNSR-BXUZGUMPSA-N 1 0 361.851 2.056 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289795329 552379957 /nfs/dbraw/zinc/37/99/57/552379957.db2.gz HYLOFWTXAGBJOK-HNNXBMFYSA-N 1 0 373.413 2.384 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cc(CO)nn3)o2)cc1 ZINC000289870827 552391967 /nfs/dbraw/zinc/39/19/67/552391967.db2.gz PANFOKUPTREPFX-UHFFFAOYSA-N 1 0 357.370 2.119 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290000216 552412137 /nfs/dbraw/zinc/41/21/37/552412137.db2.gz WPQHOHFDPFMLAQ-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290275407 552452925 /nfs/dbraw/zinc/45/29/25/552452925.db2.gz YYJBHUFKGYAGHR-STQMWFEESA-N 1 0 358.423 2.400 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290292336 552455271 /nfs/dbraw/zinc/45/52/71/552455271.db2.gz DIOOKMFCYQDKCB-CYBMUJFWSA-N 1 0 362.386 2.273 20 5 FEBDRO NC(=O)c1ccnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000290492537 552487880 /nfs/dbraw/zinc/48/78/80/552487880.db2.gz JLFJDICPMGSWHJ-OAHLLOKOSA-N 1 0 355.398 2.338 20 5 FEBDRO C[C@H](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000290731327 552527815 /nfs/dbraw/zinc/52/78/15/552527815.db2.gz GAXLBYOIXUEWNG-CYBMUJFWSA-N 1 0 357.414 2.411 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290740117 552529435 /nfs/dbraw/zinc/52/94/35/552529435.db2.gz YSUFRHNFIYABKX-HNNXBMFYSA-N 1 0 363.393 2.048 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000290823818 552544309 /nfs/dbraw/zinc/54/43/09/552544309.db2.gz OYVOPIVAAWLSBN-WMLDXEAASA-N 1 0 374.441 2.038 20 5 FEBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501100200 561589958 /nfs/dbraw/zinc/58/99/58/561589958.db2.gz NSLVDZHOAZHQLJ-QGZVFWFLSA-N 1 0 350.419 2.080 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000290904592 552559255 /nfs/dbraw/zinc/55/92/55/552559255.db2.gz OIAKHCZNHCAVSW-MRVPVSSYSA-N 1 0 353.227 2.426 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291618459 552644228 /nfs/dbraw/zinc/64/42/28/552644228.db2.gz BZTDPIDAGSPSHN-HNNXBMFYSA-N 1 0 373.862 2.273 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000291999471 552683218 /nfs/dbraw/zinc/68/32/18/552683218.db2.gz LIILDPKOOCZFRA-CYBMUJFWSA-N 1 0 353.444 2.090 20 5 FEBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292154868 552698981 /nfs/dbraw/zinc/69/89/81/552698981.db2.gz KHZVXRDFLRAXHY-QAPCUYQASA-N 1 0 363.458 2.141 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292241963 552707967 /nfs/dbraw/zinc/70/79/67/552707967.db2.gz JNTBPCSMZGQZOI-QGZVFWFLSA-N 1 0 351.378 2.443 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292370620 552720575 /nfs/dbraw/zinc/72/05/75/552720575.db2.gz RZGGACVTARYTNJ-CYBMUJFWSA-N 1 0 362.430 2.477 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000292580476 552740126 /nfs/dbraw/zinc/74/01/26/552740126.db2.gz UHWVIAXRJDHLJT-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1nccnc1CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000293042049 552783231 /nfs/dbraw/zinc/78/32/31/552783231.db2.gz QVBNGTFSADMOIG-UHFFFAOYSA-N 1 0 352.398 2.426 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000293394203 552818939 /nfs/dbraw/zinc/81/89/39/552818939.db2.gz XKLBWUDIHBCFQP-UHFFFAOYSA-N 1 0 365.821 2.071 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1SC ZINC000293509894 552831161 /nfs/dbraw/zinc/83/11/61/552831161.db2.gz SXKPFGRTWATHMN-JQWIXIFHSA-N 1 0 351.428 2.149 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCCO ZINC000293733329 552851279 /nfs/dbraw/zinc/85/12/79/552851279.db2.gz MZZYCIKEXUALEM-GFCCVEGCSA-N 1 0 361.398 2.408 20 5 FEBDRO C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294052098 552878318 /nfs/dbraw/zinc/87/83/18/552878318.db2.gz GQXKDAGWLCZPPC-VIFPVBQESA-N 1 0 354.208 2.487 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCCC[NH+]1CCCC1 ZINC000294055407 552878536 /nfs/dbraw/zinc/87/85/36/552878536.db2.gz YMRSAXDRNLGZRA-UHFFFAOYSA-N 1 0 353.394 2.495 20 5 FEBDRO CS(=O)(=O)CC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000294562159 552915845 /nfs/dbraw/zinc/91/58/45/552915845.db2.gz FWPAEIFAQINPTM-UHFFFAOYSA-N 1 0 366.443 2.164 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295209946 552970173 /nfs/dbraw/zinc/97/01/73/552970173.db2.gz XDKJDDULVRTOAK-UHFFFAOYSA-N 1 0 355.822 2.133 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295633436 553036589 /nfs/dbraw/zinc/03/65/89/553036589.db2.gz BXJMEOJVUNWDED-AWEZNQCLSA-N 1 0 365.430 2.415 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098107 553104479 /nfs/dbraw/zinc/10/44/79/553104479.db2.gz HTNHMOHJNZOZDY-JKSUJKDBSA-N 1 0 363.414 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502514007 561620255 /nfs/dbraw/zinc/62/02/55/561620255.db2.gz UYHIJUNLRCRFMO-BPLDGKMQSA-N 1 0 360.357 2.475 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277648 553133565 /nfs/dbraw/zinc/13/35/65/553133565.db2.gz OREPDJXOGMJOFJ-BMGDILEWSA-N 1 0 357.410 2.031 20 5 FEBDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296735163 553204700 /nfs/dbraw/zinc/20/47/00/553204700.db2.gz OITZNVAOLCOQDG-SUMWQHHRSA-N 1 0 374.393 2.472 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502834256 561626933 /nfs/dbraw/zinc/62/69/33/561626933.db2.gz QZPVVUBUKIZABA-HUUCEWRRSA-N 1 0 358.398 2.297 20 5 FEBDRO [NH3+]CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000297116033 553255158 /nfs/dbraw/zinc/25/51/58/553255158.db2.gz GCFIZPXIYOBBRT-UHFFFAOYSA-N 1 0 360.183 2.307 20 5 FEBDRO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000297156427 553257047 /nfs/dbraw/zinc/25/70/47/553257047.db2.gz VSBSTBMOXWDEHR-YHWZYXNKSA-N 1 0 362.386 2.475 20 5 FEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000297176607 553259875 /nfs/dbraw/zinc/25/98/75/553259875.db2.gz NRGBFNMKEYYUMX-SFHVURJKSA-N 1 0 372.425 2.221 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000297695688 553326264 /nfs/dbraw/zinc/32/62/64/553326264.db2.gz AORVNYICCMSELW-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000298126637 553387679 /nfs/dbraw/zinc/38/76/79/553387679.db2.gz NGLSFEIYGQIBHI-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298171196 553393487 /nfs/dbraw/zinc/39/34/87/553393487.db2.gz QLQSTCJDBUGDKM-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000503452811 561641749 /nfs/dbraw/zinc/64/17/49/561641749.db2.gz IDUGWWWTAFKXAM-PBHICJAKSA-N 1 0 369.487 2.272 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000298981864 553498822 /nfs/dbraw/zinc/49/88/22/553498822.db2.gz HLXYHVPFYFBCHK-HUUCEWRRSA-N 1 0 355.398 2.137 20 5 FEBDRO CCCCC[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299360814 553552881 /nfs/dbraw/zinc/55/28/81/553552881.db2.gz RIRMEXNXIWUHON-UHFFFAOYSA-N 1 0 353.419 2.417 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000299429466 553562133 /nfs/dbraw/zinc/56/21/33/553562133.db2.gz XMAUJTZKMGUATO-GOEBONIOSA-N 1 0 374.441 2.093 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C)CC2)cc1OC ZINC000299621907 553590462 /nfs/dbraw/zinc/59/04/62/553590462.db2.gz HVDVJSREEHQJBJ-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO CCC[NH+]1CCC(N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000299707241 553604184 /nfs/dbraw/zinc/60/41/84/553604184.db2.gz SSQZNQZBRSQWGK-UHFFFAOYSA-N 1 0 355.460 2.309 20 5 FEBDRO Nc1nc(NCC2([NH+]3CCSCC3)CCCCC2)ncc1[N+](=O)[O-] ZINC000301233627 553633842 /nfs/dbraw/zinc/63/38/42/553633842.db2.gz KOBMPCVAGULSQM-UHFFFAOYSA-N 1 0 352.464 2.131 20 5 FEBDRO CC[N@@H+]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301273458 553638156 /nfs/dbraw/zinc/63/81/56/553638156.db2.gz YEQSJQWMNNMTQR-UHFFFAOYSA-N 1 0 357.414 2.091 20 5 FEBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000301289119 553639615 /nfs/dbraw/zinc/63/96/15/553639615.db2.gz ODXUCBTWCWZMOU-UHFFFAOYSA-N 1 0 364.387 2.250 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301510530 553656906 /nfs/dbraw/zinc/65/69/06/553656906.db2.gz CYRKUEYOUZYAOO-LBPRGKRZSA-N 1 0 373.251 2.257 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523673 553658130 /nfs/dbraw/zinc/65/81/30/553658130.db2.gz GUFHHHZKJGIMTA-HIFRSBDPSA-N 1 0 371.441 2.336 20 5 FEBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301771340 553678069 /nfs/dbraw/zinc/67/80/69/553678069.db2.gz JGXCKDQVMWQLDN-GOEBONIOSA-N 1 0 358.442 2.408 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301836667 553683939 /nfs/dbraw/zinc/68/39/39/553683939.db2.gz XKIRCLYFXNYLAF-HNNXBMFYSA-N 1 0 352.822 2.167 20 5 FEBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)C[N@@H+](C)C1CC1 ZINC000314610125 553759725 /nfs/dbraw/zinc/75/97/25/553759725.db2.gz YVWQUSYHEDABLQ-GFCCVEGCSA-N 1 0 359.220 2.500 20 5 FEBDRO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000507090872 561717093 /nfs/dbraw/zinc/71/70/93/561717093.db2.gz VXQIYDBJXXFZSY-OAHLLOKOSA-N 1 0 370.409 2.262 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507459521 561730022 /nfs/dbraw/zinc/73/00/22/561730022.db2.gz GFSVXLKWYYLWDC-IAGOWNOFSA-N 1 0 367.471 2.432 20 5 FEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330454598 554124007 /nfs/dbraw/zinc/12/40/07/554124007.db2.gz WJHYMHYFOAUUBP-UHFFFAOYSA-N 1 0 351.451 2.107 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485275 554127847 /nfs/dbraw/zinc/12/78/47/554127847.db2.gz ARYCKTHKMACXOH-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330491588 554128259 /nfs/dbraw/zinc/12/82/59/554128259.db2.gz PIURGLHEQFNKJR-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000331073235 554209559 /nfs/dbraw/zinc/20/95/59/554209559.db2.gz UGTRLFWNCZUELF-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC(C[NH+]4CCOCC4)CC3)c21 ZINC000509053218 561782750 /nfs/dbraw/zinc/78/27/50/561782750.db2.gz MTKVHWAWDGOGCC-UHFFFAOYSA-N 1 0 357.414 2.087 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331836705 554327453 /nfs/dbraw/zinc/32/74/53/554327453.db2.gz AXAHBXCKYJMTRW-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000332056203 554371395 /nfs/dbraw/zinc/37/13/95/554371395.db2.gz OSYDOFVUMZKWRX-KGLIPLIRSA-N 1 0 362.430 2.307 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609383786 554373759 /nfs/dbraw/zinc/37/37/59/554373759.db2.gz BUBWMPWRZRPGII-UHFFFAOYSA-N 1 0 371.445 2.103 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071218 554374110 /nfs/dbraw/zinc/37/41/10/554374110.db2.gz CCAIPZRRAANSTF-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1ccc(CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000609606806 554400542 /nfs/dbraw/zinc/40/05/42/554400542.db2.gz CIQZHMJTBLXELZ-UHFFFAOYSA-N 1 0 353.338 2.365 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510679782 561843201 /nfs/dbraw/zinc/84/32/01/561843201.db2.gz GYPARZFMTZWTIS-HZPDHXFCSA-N 1 0 353.444 2.041 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000510890506 561849673 /nfs/dbraw/zinc/84/96/73/561849673.db2.gz RVTNYHDCYADEKS-OAHLLOKOSA-N 1 0 374.401 2.008 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000359960265 554857474 /nfs/dbraw/zinc/85/74/74/554857474.db2.gz ZGSOYHZPIFKXTE-GFCCVEGCSA-N 1 0 359.835 2.107 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000360572819 554880353 /nfs/dbraw/zinc/88/03/53/554880353.db2.gz MDMNMYTZCXVADK-UHFFFAOYSA-N 1 0 363.462 2.070 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361016229 554900361 /nfs/dbraw/zinc/90/03/61/554900361.db2.gz AFYUJROKACDGMF-JYJNAYRXSA-N 1 0 359.426 2.306 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N(C)Cc2noc(C)n2)C1 ZINC000361783677 554934733 /nfs/dbraw/zinc/93/47/33/554934733.db2.gz NEXLVBBRXXKMPS-OAHLLOKOSA-N 1 0 361.402 2.143 20 5 FEBDRO Cc1cc(C2=CC[N@H+]([C@@H](C)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000362002942 554943049 /nfs/dbraw/zinc/94/30/49/554943049.db2.gz KGPMQJYIOYAZNU-HNNXBMFYSA-N 1 0 360.458 2.295 20 5 FEBDRO COc1cc(CN2CC[NH+]([C@@H]3CCSC3)CC2)c([N+](=O)[O-])cc1OC ZINC000362008734 554943812 /nfs/dbraw/zinc/94/38/12/554943812.db2.gz GLCPBAPKGVHDAZ-CQSZACIVSA-N 1 0 367.471 2.235 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787824 554988516 /nfs/dbraw/zinc/98/85/16/554988516.db2.gz LCBLCUDWFQLBKC-SJORKVTESA-N 1 0 374.441 2.132 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363198561 555051287 /nfs/dbraw/zinc/05/12/87/555051287.db2.gz GRZYWPWNRLSULS-UHFFFAOYSA-N 1 0 353.444 2.232 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000363199156 555051333 /nfs/dbraw/zinc/05/13/33/555051333.db2.gz OXZACPXKFIHACJ-UHFFFAOYSA-N 1 0 353.444 2.232 20 5 FEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363348312 555082880 /nfs/dbraw/zinc/08/28/80/555082880.db2.gz FCEFONYSNUVQAO-MRXNPFEDSA-N 1 0 371.441 2.304 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000363405062 555097453 /nfs/dbraw/zinc/09/74/53/555097453.db2.gz CFDJAQYUFKPMGL-LJHODMEESA-N 1 0 372.469 2.194 20 5 FEBDRO CCOc1ccc(C(=O)N2CCC[N@H+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC000363635102 555151867 /nfs/dbraw/zinc/15/18/67/555151867.db2.gz RQRATQAWULTAIQ-UHFFFAOYSA-N 1 0 365.430 2.178 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000363641093 555152869 /nfs/dbraw/zinc/15/28/69/555152869.db2.gz JHVMTTFPPIRNFJ-CYBMUJFWSA-N 1 0 358.402 2.230 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000363660331 555157689 /nfs/dbraw/zinc/15/76/89/555157689.db2.gz DSAGANLVXGUHBM-MSOLQXFVSA-N 1 0 363.458 2.285 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000363695448 555166292 /nfs/dbraw/zinc/16/62/92/555166292.db2.gz BBFUEXDYJRGZNQ-SJORKVTESA-N 1 0 372.400 2.367 20 5 FEBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054582 555241502 /nfs/dbraw/zinc/24/15/02/555241502.db2.gz JEFFINPKXRSEPH-GLQYFDAESA-N 1 0 371.397 2.263 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364308404 555288586 /nfs/dbraw/zinc/28/85/86/555288586.db2.gz XABFMCOPYJGARC-HUUCEWRRSA-N 1 0 359.357 2.309 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556370 555337623 /nfs/dbraw/zinc/33/76/23/555337623.db2.gz JBMBAKZYUVJMFT-HYVNUMGLSA-N 1 0 361.442 2.143 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365220033 555514402 /nfs/dbraw/zinc/51/44/02/555514402.db2.gz LGQPDVYHUIWHKL-HNNXBMFYSA-N 1 0 370.409 2.337 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000365351143 555550686 /nfs/dbraw/zinc/55/06/86/555550686.db2.gz BAKFLCSXQQCGDB-MWLCHTKSSA-N 1 0 371.340 2.029 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365356880 555552478 /nfs/dbraw/zinc/55/24/78/555552478.db2.gz MHCDXZFFPJBENZ-QAPCUYQASA-N 1 0 361.445 2.365 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000365357457 555552498 /nfs/dbraw/zinc/55/24/98/555552498.db2.gz QCQAXOZZRWVYFQ-MFKMUULPSA-N 1 0 368.231 2.490 20 5 FEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000365432986 555574884 /nfs/dbraw/zinc/57/48/84/555574884.db2.gz WBSWITJFSUBTKM-UHFFFAOYSA-N 1 0 361.427 2.346 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000365652148 555632612 /nfs/dbraw/zinc/63/26/12/555632612.db2.gz YWNKDHBUKSAIGG-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000366429398 555841224 /nfs/dbraw/zinc/84/12/24/555841224.db2.gz NCCWPKXUQUERRY-PRBQSDLRSA-N 1 0 359.426 2.318 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366645518 555898096 /nfs/dbraw/zinc/89/80/96/555898096.db2.gz SCAUETGDDYYRPV-YOGCLGLASA-N 1 0 359.835 2.281 20 5 FEBDRO C[N@H+](C[C@H]1CC12CCN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2)C1CC1 ZINC000367296004 556010426 /nfs/dbraw/zinc/01/04/26/556010426.db2.gz NOOLHJDHGPQABR-CYBMUJFWSA-N 1 0 356.430 2.338 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446417 556051531 /nfs/dbraw/zinc/05/15/31/556051531.db2.gz DVXWYRRUEWYDSM-HOTGVXAUSA-N 1 0 364.402 2.236 20 5 FEBDRO Cc1cccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000367454465 556054021 /nfs/dbraw/zinc/05/40/21/556054021.db2.gz QFZSNBGYGINJMO-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000367592006 556091808 /nfs/dbraw/zinc/09/18/08/556091808.db2.gz BBMZNBLGJBXCEO-FUHWJXTLSA-N 1 0 370.409 2.182 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(CC(=O)N2CCCC2)CC1 ZINC000367720754 556122793 /nfs/dbraw/zinc/12/27/93/556122793.db2.gz METSSAKXGQKZJK-UHFFFAOYSA-N 1 0 374.441 2.296 20 5 FEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000514963403 561989048 /nfs/dbraw/zinc/98/90/48/561989048.db2.gz OLDHSSNAATXVAV-GOSISDBHSA-N 1 0 355.398 2.056 20 5 FEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000367989191 556189213 /nfs/dbraw/zinc/18/92/13/556189213.db2.gz WGYPTGUSEXHBLS-STQMWFEESA-N 1 0 358.423 2.400 20 5 FEBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc(OC)c1O ZINC000368036467 556201081 /nfs/dbraw/zinc/20/10/81/556201081.db2.gz JJPJNPLMGABRDH-UHFFFAOYSA-N 1 0 362.386 2.351 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000368261849 556261749 /nfs/dbraw/zinc/26/17/49/556261749.db2.gz DHDTVJQKGKYXFG-KBRIMQKVSA-N 1 0 358.442 2.394 20 5 FEBDRO CC(C)[NH+](CCNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000368422069 556304139 /nfs/dbraw/zinc/30/41/39/556304139.db2.gz KKBJURVVSYSCLH-OAHLLOKOSA-N 1 0 366.466 2.257 20 5 FEBDRO COCc1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000515414289 562009606 /nfs/dbraw/zinc/00/96/06/562009606.db2.gz FSNJRIKAAUZUTN-INIZCTEOSA-N 1 0 364.373 2.410 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000369019198 556478085 /nfs/dbraw/zinc/47/80/85/556478085.db2.gz WWDIHFKPNJTZMM-OAHLLOKOSA-N 1 0 353.386 2.209 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000369431721 556599210 /nfs/dbraw/zinc/59/92/10/556599210.db2.gz BLRFLOWCICHJQN-GXTWGEPZSA-N 1 0 373.413 2.183 20 5 FEBDRO O=C1[C@@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582488 556638491 /nfs/dbraw/zinc/63/84/91/556638491.db2.gz BNIJZFKZIOSGAQ-MSOLQXFVSA-N 1 0 358.442 2.260 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000369649149 556657958 /nfs/dbraw/zinc/65/79/58/556657958.db2.gz PTAAEYRKERAXQT-UHFFFAOYSA-N 1 0 374.441 2.242 20 5 FEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCc1ccccc1[N+](=O)[O-] ZINC000369649012 556657998 /nfs/dbraw/zinc/65/79/98/556657998.db2.gz QGMYFYIGSMOIKI-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000516281813 562038603 /nfs/dbraw/zinc/03/86/03/562038603.db2.gz BESDQJXTZIZKSY-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000369687712 556668972 /nfs/dbraw/zinc/66/89/72/556668972.db2.gz ZDQRSLKIDOYUAG-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cn1 ZINC000370008430 556756050 /nfs/dbraw/zinc/75/60/50/556756050.db2.gz LNDZPJGKGSLJDV-ZDUSSCGKSA-N 1 0 358.398 2.259 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC3(CCOC3=O)CC2)c([N+](=O)[O-])c1 ZINC000370087242 556777302 /nfs/dbraw/zinc/77/73/02/556777302.db2.gz PQCSQLJYTXLLSJ-UHFFFAOYSA-N 1 0 350.371 2.011 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895122 562063233 /nfs/dbraw/zinc/06/32/33/562063233.db2.gz INGIBAVQVCZMGH-UONOGXRCSA-N 1 0 365.430 2.415 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760600 556960709 /nfs/dbraw/zinc/96/07/09/556960709.db2.gz RZCSSGTXFPAAQK-FPTDEYDUSA-N 1 0 359.426 2.225 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1C ZINC000370865641 556995705 /nfs/dbraw/zinc/99/57/05/556995705.db2.gz WUXOHILPKCQYFB-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052993 557059890 /nfs/dbraw/zinc/05/98/90/557059890.db2.gz JUFBBVGYMNENFI-VBQJREDUSA-N 1 0 369.425 2.255 20 5 FEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336585 557152057 /nfs/dbraw/zinc/15/20/57/557152057.db2.gz RVHVUXYQHNIRAE-DOTOQJQBSA-N 1 0 360.414 2.295 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000371534476 557213072 /nfs/dbraw/zinc/21/30/72/557213072.db2.gz FPBQQBSDEVKBQS-ZHALLVOQSA-N 1 0 372.469 2.289 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000372379106 557454801 /nfs/dbraw/zinc/45/48/01/557454801.db2.gz VWZTZOQONZVSDC-UHFFFAOYSA-N 1 0 353.444 2.111 20 5 FEBDRO CN(c1ccc2ncc([N+](=O)[O-])n2n1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372707067 557543488 /nfs/dbraw/zinc/54/34/88/557543488.db2.gz RQAJQJBOVWGNBR-UHFFFAOYSA-N 1 0 367.413 2.133 20 5 FEBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520293046 562152648 /nfs/dbraw/zinc/15/26/48/562152648.db2.gz RQFXVOLDKQJBIU-CQSZACIVSA-N 1 0 362.430 2.470 20 5 FEBDRO CSc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000373608241 557728407 /nfs/dbraw/zinc/72/84/07/557728407.db2.gz JXHIOGHKHQRMPR-CYBMUJFWSA-N 1 0 365.455 2.300 20 5 FEBDRO CSc1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000373608262 557728519 /nfs/dbraw/zinc/72/85/19/557728519.db2.gz JXHIOGHKHQRMPR-ZDUSSCGKSA-N 1 0 365.455 2.300 20 5 FEBDRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000373668635 557734673 /nfs/dbraw/zinc/73/46/73/557734673.db2.gz VCIHBCYZLMKKKZ-CQSZACIVSA-N 1 0 357.414 2.399 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[NH+](CC)CC)cc([N+](=O)[O-])c1 ZINC000520620526 562160481 /nfs/dbraw/zinc/16/04/81/562160481.db2.gz CZUKJCXNQBAKJO-LBPRGKRZSA-N 1 0 351.403 2.232 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCN3CCOC[C@@H]3C)CC2)cc([N+](=O)[O-])c1N ZINC000374165620 557835288 /nfs/dbraw/zinc/83/52/88/557835288.db2.gz ZNCRXTHOXFAFNZ-HNNXBMFYSA-N 1 0 360.458 2.295 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374352684 557870577 /nfs/dbraw/zinc/87/05/77/557870577.db2.gz PTYLQXQHERWOHI-INIZCTEOSA-N 1 0 367.471 2.088 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374390851 557877337 /nfs/dbraw/zinc/87/73/37/557877337.db2.gz WLKPDAIFNLXYAX-SFHVURJKSA-N 1 0 361.442 2.410 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550190 557898183 /nfs/dbraw/zinc/89/81/83/557898183.db2.gz HPRUKOJYYVAODU-STQMWFEESA-N 1 0 362.352 2.207 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550189 557898300 /nfs/dbraw/zinc/89/83/00/557898300.db2.gz HPRUKOJYYVAODU-QWHCGFSZSA-N 1 0 362.352 2.207 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566655 557900578 /nfs/dbraw/zinc/90/05/78/557900578.db2.gz RMPPBYKRUGKAKL-YOEHRIQHSA-N 1 0 373.409 2.363 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521174855 562170881 /nfs/dbraw/zinc/17/08/81/562170881.db2.gz PNQUHBGMFBPTEF-CQSZACIVSA-N 1 0 350.419 2.277 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374907948 557949264 /nfs/dbraw/zinc/94/92/64/557949264.db2.gz DFWANLANCNUEBB-WBVHZDCISA-N 1 0 358.373 2.313 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000374907941 557949414 /nfs/dbraw/zinc/94/94/14/557949414.db2.gz DFWANLANCNUEBB-DOTOQJQBSA-N 1 0 358.373 2.313 20 5 FEBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967340 557957456 /nfs/dbraw/zinc/95/74/56/557957456.db2.gz AXXRAPNIRRJKJQ-OWCLPIDISA-N 1 0 369.425 2.348 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375035236 557967793 /nfs/dbraw/zinc/96/77/93/557967793.db2.gz BXPFKNRFCHMNCB-IAQYHMDHSA-N 1 0 373.862 2.271 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000375292199 558005060 /nfs/dbraw/zinc/00/50/60/558005060.db2.gz LXYVJAZNIISFNI-UHFFFAOYSA-N 1 0 351.357 2.282 20 5 FEBDRO COc1cc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C ZINC000521426528 562176028 /nfs/dbraw/zinc/17/60/28/562176028.db2.gz GQRJIZYBQQGEMX-QGZVFWFLSA-N 1 0 360.410 2.484 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000375635383 558060376 /nfs/dbraw/zinc/06/03/76/558060376.db2.gz CHJASMKOZHZPPY-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000375906661 558097645 /nfs/dbraw/zinc/09/76/45/558097645.db2.gz WEKBWOOSUZGFRV-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](C3CCOCC3)CC2)s1 ZINC000376176774 558136822 /nfs/dbraw/zinc/13/68/22/558136822.db2.gz YMYAMMACYMMWHL-UHFFFAOYSA-N 1 0 363.443 2.291 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376342277 558160342 /nfs/dbraw/zinc/16/03/42/558160342.db2.gz AEWXOUJZZHWSAP-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000521691657 562182328 /nfs/dbraw/zinc/18/23/28/562182328.db2.gz PZAHAFJVKHTFGQ-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1c(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000377489535 558350180 /nfs/dbraw/zinc/35/01/80/558350180.db2.gz ALOHCSMPPNGEPR-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000377663251 558389919 /nfs/dbraw/zinc/38/99/19/558389919.db2.gz UNJMQHXJJUBKRL-YOEHRIQHSA-N 1 0 374.441 2.399 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377750305 558411012 /nfs/dbraw/zinc/41/10/12/558411012.db2.gz MGJRIAODVLHRTR-OAHLLOKOSA-N 1 0 369.425 2.242 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377763844 558415271 /nfs/dbraw/zinc/41/52/71/558415271.db2.gz QJCBRMGTTHHKLJ-STQMWFEESA-N 1 0 365.434 2.017 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378224394 558506245 /nfs/dbraw/zinc/50/62/45/558506245.db2.gz IMGKVMNXOLYSPA-GDBMZVCRSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378224397 558506249 /nfs/dbraw/zinc/50/62/49/558506249.db2.gz IMGKVMNXOLYSPA-ZBFHGGJFSA-N 1 0 367.471 2.364 20 5 FEBDRO CCc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000378227592 558506544 /nfs/dbraw/zinc/50/65/44/558506544.db2.gz ORUGAUHOGPDHLF-JFIYKMOQSA-N 1 0 361.442 2.481 20 5 FEBDRO Cc1cn2c(n1)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CCC2 ZINC000378249031 558511236 /nfs/dbraw/zinc/51/12/36/558511236.db2.gz WSLGGGDRKZOQKI-ZDUSSCGKSA-N 1 0 357.414 2.473 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000378249605 558511511 /nfs/dbraw/zinc/51/15/11/558511511.db2.gz LDLLDHDXZLQDEW-GOSISDBHSA-N 1 0 374.485 2.073 20 5 FEBDRO Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000378265659 558515207 /nfs/dbraw/zinc/51/52/07/558515207.db2.gz VIECPWMPYWJJSN-JTQLQIEISA-N 1 0 370.818 2.160 20 5 FEBDRO COc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304025 558524641 /nfs/dbraw/zinc/52/46/41/558524641.db2.gz FSLLKHOCRXAVSU-CVEARBPZSA-N 1 0 355.394 2.431 20 5 FEBDRO COCCC[N@@H+]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000378349499 558535349 /nfs/dbraw/zinc/53/53/49/558535349.db2.gz JRGUNSUOZKXJPI-UHFFFAOYSA-N 1 0 367.446 2.156 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000378435877 558556279 /nfs/dbraw/zinc/55/62/79/558556279.db2.gz YKPOJKVXYMKNCD-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000409711008 558715388 /nfs/dbraw/zinc/71/53/88/558715388.db2.gz JFUDCZJJAQPBFT-ZDUSSCGKSA-N 1 0 355.822 2.071 20 5 FEBDRO COc1cc(C(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000411094024 558838383 /nfs/dbraw/zinc/83/83/83/558838383.db2.gz FESYSLUMCPVICQ-UHFFFAOYSA-N 1 0 361.345 2.275 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637392 558933472 /nfs/dbraw/zinc/93/34/72/558933472.db2.gz CULUNNIANNYRLF-UONOGXRCSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000411887030 558983208 /nfs/dbraw/zinc/98/32/08/558983208.db2.gz YLRDWLBLRBZSOX-HIFRSBDPSA-N 1 0 363.414 2.289 20 5 FEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411964372 558996171 /nfs/dbraw/zinc/99/61/71/558996171.db2.gz IODXVHYAASIOQO-IBGZPJMESA-N 1 0 355.394 2.103 20 5 FEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411975246 558998370 /nfs/dbraw/zinc/99/83/70/558998370.db2.gz ZZJUWYORIYTGPV-IBGZPJMESA-N 1 0 366.377 2.365 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1F ZINC000412028568 559004104 /nfs/dbraw/zinc/00/41/04/559004104.db2.gz AWKBQRDJYFIGOG-GFCCVEGCSA-N 1 0 365.405 2.418 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412038955 559005467 /nfs/dbraw/zinc/00/54/67/559005467.db2.gz HPVYFEJTBGMEBY-FQUUOJAGSA-N 1 0 363.414 2.023 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412067653 559009184 /nfs/dbraw/zinc/00/91/84/559009184.db2.gz DWGYNTNCCLMNKV-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1F ZINC000412169207 559018076 /nfs/dbraw/zinc/01/80/76/559018076.db2.gz IATVDDRDXQVMBS-QWRGUYRKSA-N 1 0 351.378 2.026 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)c2ccncc21 ZINC000413396247 559104917 /nfs/dbraw/zinc/10/49/17/559104917.db2.gz DLJGSWYXGWGCNL-UHFFFAOYSA-N 1 0 372.425 2.436 20 5 FEBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@H+](C)C1 ZINC000413497336 559112337 /nfs/dbraw/zinc/11/23/37/559112337.db2.gz LLDPSMKVBBHJDU-HNNXBMFYSA-N 1 0 370.409 2.198 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000413503553 559112423 /nfs/dbraw/zinc/11/24/23/559112423.db2.gz PDNIICPCZCVFHR-JSGCOSHPSA-N 1 0 367.421 2.474 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC ZINC000414765198 559186280 /nfs/dbraw/zinc/18/62/80/559186280.db2.gz ZKZILLAODNORHK-NSHDSACASA-N 1 0 354.407 2.497 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000414940932 559196246 /nfs/dbraw/zinc/19/62/46/559196246.db2.gz BYULDWAQZOBTON-MWLCHTKSSA-N 1 0 356.329 2.412 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000414940930 559196263 /nfs/dbraw/zinc/19/62/63/559196263.db2.gz BYULDWAQZOBTON-GXSJLCMTSA-N 1 0 356.329 2.412 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000415509155 559245062 /nfs/dbraw/zinc/24/50/62/559245062.db2.gz SURQINPXGXZXQI-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415591355 559253489 /nfs/dbraw/zinc/25/34/89/559253489.db2.gz ANAVMSBYJWPKNU-AAEUAGOBSA-N 1 0 364.402 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415591761 559253545 /nfs/dbraw/zinc/25/35/45/559253545.db2.gz BBLNGZTVSCVYGH-RYUDHWBXSA-N 1 0 350.375 2.081 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416497658 559317935 /nfs/dbraw/zinc/31/79/35/559317935.db2.gz UFFSXZQBKMAQNZ-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000416663096 559328457 /nfs/dbraw/zinc/32/84/57/559328457.db2.gz PRODMJBZHADZKU-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000417724877 559374069 /nfs/dbraw/zinc/37/40/69/559374069.db2.gz ZNBDNEGYZGNRCM-CQSZACIVSA-N 1 0 371.388 2.002 20 5 FEBDRO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417796203 559376804 /nfs/dbraw/zinc/37/68/04/559376804.db2.gz RUQJSHPSCLRBOP-OAHLLOKOSA-N 1 0 369.425 2.378 20 5 FEBDRO COC[C@]1(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000417858936 559379680 /nfs/dbraw/zinc/37/96/80/559379680.db2.gz VONKGXFGHWQBIE-SUMWQHHRSA-N 1 0 350.419 2.032 20 5 FEBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000419912247 559464241 /nfs/dbraw/zinc/46/42/41/559464241.db2.gz VVWCZAGGWRHQEI-UHFFFAOYSA-N 1 0 363.414 2.408 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420470568 559489309 /nfs/dbraw/zinc/48/93/09/559489309.db2.gz XBTCYADFMOKLIG-KRWDZBQOSA-N 1 0 363.439 2.277 20 5 FEBDRO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420651344 559495445 /nfs/dbraw/zinc/49/54/45/559495445.db2.gz JVDSKCUNJFKJRU-CQSZACIVSA-N 1 0 354.410 2.404 20 5 FEBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421029752 559520637 /nfs/dbraw/zinc/52/06/37/559520637.db2.gz IOPLDHSEYDGTEW-CYBMUJFWSA-N 1 0 351.403 2.097 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000421703086 559549785 /nfs/dbraw/zinc/54/97/85/559549785.db2.gz LLRZXSXYIJQALW-MRXNPFEDSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000421858149 559554860 /nfs/dbraw/zinc/55/48/60/559554860.db2.gz CSOHIUYDSKCDSG-UHFFFAOYSA-N 1 0 362.474 2.358 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422555308 559594763 /nfs/dbraw/zinc/59/47/63/559594763.db2.gz PAIZWQPCRRNJIE-DYEKYZERSA-N 1 0 355.460 2.206 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000422642530 559599674 /nfs/dbraw/zinc/59/96/74/559599674.db2.gz ZNTGZMZUCSAEHY-UTUOFQBUSA-N 1 0 354.838 2.492 20 5 FEBDRO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423821831 559640855 /nfs/dbraw/zinc/64/08/55/559640855.db2.gz FEEMBGWESLBWAT-GUYCJALGSA-N 1 0 357.414 2.291 20 5 FEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836435 559641949 /nfs/dbraw/zinc/64/19/49/559641949.db2.gz FUKIFTVZPJAOJX-BBRMVZONSA-N 1 0 355.822 2.397 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423938582 559647095 /nfs/dbraw/zinc/64/70/95/559647095.db2.gz JKPYMUGVNSQNQX-QGZVFWFLSA-N 1 0 371.393 2.374 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000423999898 559650276 /nfs/dbraw/zinc/65/02/76/559650276.db2.gz BJTLDSVWLMIKGR-RYUDHWBXSA-N 1 0 351.403 2.059 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000424014559 559650982 /nfs/dbraw/zinc/65/09/82/559650982.db2.gz LSUGSMBMAAQGRE-NXEZZACHSA-N 1 0 356.220 2.414 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnn(CC(F)(F)F)c3)CC2)n1 ZINC000425957784 559725887 /nfs/dbraw/zinc/72/58/87/559725887.db2.gz CWRLAGPHZZRDAH-UHFFFAOYSA-N 1 0 358.324 2.387 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000427575493 559758217 /nfs/dbraw/zinc/75/82/17/559758217.db2.gz UZYWEPNXVRYNGS-SJCJKPOMSA-N 1 0 371.441 2.184 20 5 FEBDRO CC1CC[NH+](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000427902437 559764933 /nfs/dbraw/zinc/76/49/33/559764933.db2.gz HGYQKZJAMVJYAQ-UHFFFAOYSA-N 1 0 372.425 2.370 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000428950551 559786475 /nfs/dbraw/zinc/78/64/75/559786475.db2.gz CHSWXGNJLGHDDU-GXTWGEPZSA-N 1 0 367.471 2.341 20 5 FEBDRO C[C@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000429353479 559796611 /nfs/dbraw/zinc/79/66/11/559796611.db2.gz KERHQIQGIYIDFW-LDYMZIIASA-N 1 0 358.192 2.063 20 5 FEBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429492822 559799820 /nfs/dbraw/zinc/79/98/20/559799820.db2.gz HAOPEWWCPJIHTO-QWHCGFSZSA-N 1 0 370.409 2.049 20 5 FEBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000429568474 559801746 /nfs/dbraw/zinc/80/17/46/559801746.db2.gz OIVJMRSKJMNVHK-SMDDNHRTSA-N 1 0 372.381 2.451 20 5 FEBDRO Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000431598378 559842278 /nfs/dbraw/zinc/84/22/78/559842278.db2.gz WNYTVZPIVRMRFM-UHFFFAOYSA-N 1 0 372.429 2.417 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000432459396 559859282 /nfs/dbraw/zinc/85/92/82/559859282.db2.gz JOHFIJLCQZKUSC-ZDUSSCGKSA-N 1 0 370.409 2.122 20 5 FEBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433280678 559875678 /nfs/dbraw/zinc/87/56/78/559875678.db2.gz DNTPXMMMAJFEAW-OAHLLOKOSA-N 1 0 355.460 2.235 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433315178 559876628 /nfs/dbraw/zinc/87/66/28/559876628.db2.gz AUKADVKRFSWTIR-MRXNPFEDSA-N 1 0 361.398 2.272 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434779909 559909201 /nfs/dbraw/zinc/90/92/01/559909201.db2.gz XYZGBWPRUDETFK-INIZCTEOSA-N 1 0 367.471 2.074 20 5 FEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000434791784 559909449 /nfs/dbraw/zinc/90/94/49/559909449.db2.gz BINYNLWPNAJTHJ-CVEARBPZSA-N 1 0 351.403 2.015 20 5 FEBDRO COc1cc(CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435380934 559921801 /nfs/dbraw/zinc/92/18/01/559921801.db2.gz QPVNQMIQNJREQS-LLVKDONJSA-N 1 0 363.336 2.468 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000435431672 559922784 /nfs/dbraw/zinc/92/27/84/559922784.db2.gz JWIROADIWCRIQX-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000440076841 560004342 /nfs/dbraw/zinc/00/43/42/560004342.db2.gz JEWPKWUPDOUEJZ-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000440508887 560012865 /nfs/dbraw/zinc/01/28/65/560012865.db2.gz UQZBGNCRRFLYFG-QGZVFWFLSA-N 1 0 361.423 2.023 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440522396 560013614 /nfs/dbraw/zinc/01/36/14/560013614.db2.gz ZFGRYBUDZVNPPI-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440593248 560014693 /nfs/dbraw/zinc/01/46/93/560014693.db2.gz DTDUJQUSNUJYGE-AWEZNQCLSA-N 1 0 356.373 2.228 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443626414 560088809 /nfs/dbraw/zinc/08/88/09/560088809.db2.gz PZIZAUGKKPMHPP-OCCSQVGLSA-N 1 0 350.419 2.085 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444159901 560103534 /nfs/dbraw/zinc/10/35/34/560103534.db2.gz VCKSFHHKQNPWRL-IAQYHMDHSA-N 1 0 372.347 2.141 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000444651403 560117577 /nfs/dbraw/zinc/11/75/77/560117577.db2.gz QVJSJPUOWFLLLF-CQSZACIVSA-N 1 0 359.430 2.015 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000444651395 560117661 /nfs/dbraw/zinc/11/76/61/560117661.db2.gz QVJSJPUOWFLLLF-AWEZNQCLSA-N 1 0 359.430 2.015 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000444936573 560125172 /nfs/dbraw/zinc/12/51/72/560125172.db2.gz LTAZEUVSOGHIJW-STQMWFEESA-N 1 0 366.418 2.224 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000445737938 560134503 /nfs/dbraw/zinc/13/45/03/560134503.db2.gz BOUMNERAXBIQNM-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446904661 560153382 /nfs/dbraw/zinc/15/33/82/560153382.db2.gz BSOHQTADJHTNRT-CHWSQXEVSA-N 1 0 374.445 2.485 20 5 FEBDRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447594520 560164976 /nfs/dbraw/zinc/16/49/76/560164976.db2.gz ZMCVFZFWOHLDSH-UONOGXRCSA-N 1 0 358.464 2.080 20 5 FEBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)CCn3cc([N+](=O)[O-])cn3)cccc21 ZINC000447723141 560167922 /nfs/dbraw/zinc/16/79/22/560167922.db2.gz NHAKTAKLAXFUQP-HNNXBMFYSA-N 1 0 359.386 2.205 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447926201 560173189 /nfs/dbraw/zinc/17/31/89/560173189.db2.gz ACZQERGXFLVUKH-HNNXBMFYSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000449098612 560215882 /nfs/dbraw/zinc/21/58/82/560215882.db2.gz KFWOQKDFYLZESX-AWEZNQCLSA-N 1 0 363.439 2.094 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000449322812 560225211 /nfs/dbraw/zinc/22/52/11/560225211.db2.gz QPAAWRCKNQNBIH-FVQBIDKESA-N 1 0 369.487 2.223 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000449619548 560235051 /nfs/dbraw/zinc/23/50/51/560235051.db2.gz PUMZMDSYXOKCCX-JPZVUWATSA-N 1 0 355.398 2.026 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000449711964 560237793 /nfs/dbraw/zinc/23/77/93/560237793.db2.gz PUNJLRVTESNPOP-NVXWUHKLSA-N 1 0 371.441 2.314 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000449730419 560238396 /nfs/dbraw/zinc/23/83/96/560238396.db2.gz QUNROKFMBLDBIR-VIFPVBQESA-N 1 0 370.125 2.367 20 5 FEBDRO O=C(NCCCOC1CCOCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449933639 560245658 /nfs/dbraw/zinc/24/56/58/560245658.db2.gz CUFKXFHIMZUUBS-UHFFFAOYSA-N 1 0 374.397 2.096 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000451305782 560299169 /nfs/dbraw/zinc/29/91/69/560299169.db2.gz WPKGEFUHCVOIJP-NUEKZKHPSA-N 1 0 374.397 2.007 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414358 560305455 /nfs/dbraw/zinc/30/54/55/560305455.db2.gz IFHCCORKGVCBRO-CGTJXYLNSA-N 1 0 359.426 2.109 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000451478927 560309411 /nfs/dbraw/zinc/30/94/11/560309411.db2.gz KNXRFOMDKUPWOF-QMCVQRASSA-N 1 0 350.415 2.128 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691014 560322251 /nfs/dbraw/zinc/32/22/51/560322251.db2.gz BCXXHBPCWHAJGF-LTCOOKNTSA-N 1 0 359.426 2.183 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451907973 560336394 /nfs/dbraw/zinc/33/63/94/560336394.db2.gz VSDXLIYHDAIGJG-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000452109288 560351637 /nfs/dbraw/zinc/35/16/37/560351637.db2.gz XMXCSILCDSHAEM-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452358051 560360092 /nfs/dbraw/zinc/36/00/92/560360092.db2.gz FSVCDOYLNSZMRH-AEFFLSMTSA-N 1 0 363.458 2.127 20 5 FEBDRO CNc1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000454418381 560443804 /nfs/dbraw/zinc/44/38/04/560443804.db2.gz HFEKPGKASMISPJ-UHFFFAOYSA-N 1 0 369.425 2.380 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456013779 560504454 /nfs/dbraw/zinc/50/44/54/560504454.db2.gz VWIWIXVGDKODJK-CHWSQXEVSA-N 1 0 361.446 2.414 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456695889 560529383 /nfs/dbraw/zinc/52/93/83/560529383.db2.gz PHBOTSPZGMMGGX-UHFFFAOYSA-N 1 0 365.478 2.459 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000457388147 560564622 /nfs/dbraw/zinc/56/46/22/560564622.db2.gz YMRSTTGKWUZPMT-UHFFFAOYSA-N 1 0 357.366 2.314 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457953664 560596192 /nfs/dbraw/zinc/59/61/92/560596192.db2.gz ZIZRFHPXKQVQBV-AWEZNQCLSA-N 1 0 350.419 2.228 20 5 FEBDRO CO[C@H](Cc1ccccc1)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459505588 560690466 /nfs/dbraw/zinc/69/04/66/560690466.db2.gz ITTPKOSWYITJJJ-QGZVFWFLSA-N 1 0 356.426 2.370 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000459674106 560701341 /nfs/dbraw/zinc/70/13/41/560701341.db2.gz BOXMPZRRRKJDKK-BMIGLBTASA-N 1 0 352.774 2.293 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000463737092 560822561 /nfs/dbraw/zinc/82/25/61/560822561.db2.gz DCCWXISGFMXXGG-MGPQQGTHSA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467050085 560902286 /nfs/dbraw/zinc/90/22/86/560902286.db2.gz WQASMQDKQMHCKO-NWDGAFQWSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000467078250 560903092 /nfs/dbraw/zinc/90/30/92/560903092.db2.gz GKGISEVWGKELLL-CYBMUJFWSA-N 1 0 373.500 2.317 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000467207639 560906384 /nfs/dbraw/zinc/90/63/84/560906384.db2.gz PLELQRDHASGRLC-GFCCVEGCSA-N 1 0 371.397 2.308 20 5 FEBDRO C[NH+](C)C1(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC000468440481 560930004 /nfs/dbraw/zinc/93/00/04/560930004.db2.gz WWAHUIVIQKLODA-UHFFFAOYSA-N 1 0 362.430 2.242 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000468617734 560934161 /nfs/dbraw/zinc/93/41/61/560934161.db2.gz JAYMTWOXAGAIIB-LRFDDAOPSA-N 1 0 353.444 2.012 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000468900477 560941821 /nfs/dbraw/zinc/94/18/21/560941821.db2.gz HQDKFMUGHKLWHV-KBMXLJTQSA-N 1 0 369.487 2.366 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469057850 560946100 /nfs/dbraw/zinc/94/61/00/560946100.db2.gz UHKUIRSBWROVNH-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000472627457 561031410 /nfs/dbraw/zinc/03/14/10/561031410.db2.gz FZCUBDRLPPGVEP-WBVHZDCISA-N 1 0 351.403 2.073 20 5 FEBDRO CNC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636580 561031654 /nfs/dbraw/zinc/03/16/54/561031654.db2.gz GGIYJDMOWHOTNY-JKSUJKDBSA-N 1 0 357.414 2.424 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000472770259 561035028 /nfs/dbraw/zinc/03/50/28/561035028.db2.gz ZMISRRSKMOWRIT-AWEZNQCLSA-N 1 0 366.487 2.289 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000473541264 561052272 /nfs/dbraw/zinc/05/22/72/561052272.db2.gz DKZNIDZRHXBPKR-GFCCVEGCSA-N 1 0 355.460 2.139 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345188 561071647 /nfs/dbraw/zinc/07/16/47/561071647.db2.gz AFPBWEPQHMMSKE-JCURWCKSSA-N 1 0 364.398 2.050 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000474572055 561077154 /nfs/dbraw/zinc/07/71/54/561077154.db2.gz DZDRGXQJNVJYQX-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000475115073 561090953 /nfs/dbraw/zinc/09/09/53/561090953.db2.gz BBPVZOUKFAZIGP-KCQAQPDRSA-N 1 0 366.414 2.128 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475555844 561099793 /nfs/dbraw/zinc/09/97/93/561099793.db2.gz YVGFJFHUEIFINT-OAHLLOKOSA-N 1 0 365.430 2.063 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000476071172 561110794 /nfs/dbraw/zinc/11/07/94/561110794.db2.gz HYQYUSCBEZTBSX-AWEZNQCLSA-N 1 0 371.441 2.490 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476076126 561110884 /nfs/dbraw/zinc/11/08/84/561110884.db2.gz CJUVHVMNCPHKKT-UHFFFAOYSA-N 1 0 357.414 2.244 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000476587335 561123522 /nfs/dbraw/zinc/12/35/22/561123522.db2.gz IJVAKIPDHGXSLG-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025049 561134614 /nfs/dbraw/zinc/13/46/14/561134614.db2.gz LRDNDSCWVCDYIJ-CQSZACIVSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000477032739 561134657 /nfs/dbraw/zinc/13/46/57/561134657.db2.gz RZCHRRIIPCLSAL-ZDUSSCGKSA-N 1 0 373.413 2.301 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530408413 562410115 /nfs/dbraw/zinc/41/01/15/562410115.db2.gz RJVRFLFOZBAZHA-UHFFFAOYSA-N 1 0 364.446 2.491 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530830672 562425576 /nfs/dbraw/zinc/42/55/76/562425576.db2.gz RZGXQQRAUJFMPP-CQSZACIVSA-N 1 0 365.821 2.172 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000532920864 562492586 /nfs/dbraw/zinc/49/25/86/562492586.db2.gz NLQDTEAJAOEHAA-ZDUSSCGKSA-N 1 0 364.446 2.204 20 5 FEBDRO CO[C@H](C)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000532971686 562494241 /nfs/dbraw/zinc/49/42/41/562494241.db2.gz OABLNQRJRMANBL-LLVKDONJSA-N 1 0 353.375 2.007 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000533264280 562503114 /nfs/dbraw/zinc/50/31/14/562503114.db2.gz QVFZEPWQJKNNGL-MRXNPFEDSA-N 1 0 374.441 2.453 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536856663 562581585 /nfs/dbraw/zinc/58/15/85/562581585.db2.gz GVYXVXQQNGCCKT-VIKVFOODSA-N 1 0 355.460 2.287 20 5 FEBDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000541055416 562601643 /nfs/dbraw/zinc/60/16/43/562601643.db2.gz YSBFCDPNMQEMHW-GOSISDBHSA-N 1 0 369.421 2.370 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000541282486 562607854 /nfs/dbraw/zinc/60/78/54/562607854.db2.gz QODJWMUUZOVWOY-ARFHVFGLSA-N 1 0 350.415 2.083 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000541649617 562617161 /nfs/dbraw/zinc/61/71/61/562617161.db2.gz MJAQCWYOTLHRKR-CHWSQXEVSA-N 1 0 351.403 2.337 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546164232 562634547 /nfs/dbraw/zinc/63/45/47/562634547.db2.gz CLYKGEYUVBGWCJ-VBNZEHGJSA-N 1 0 351.403 2.096 20 5 FEBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546206968 562635032 /nfs/dbraw/zinc/63/50/32/562635032.db2.gz OHEJHOGMSITDMI-HNNXBMFYSA-N 1 0 357.414 2.363 20 5 FEBDRO CS[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000541843663 567954631 /nfs/dbraw/zinc/95/46/31/567954631.db2.gz HXOLGFAFJGXLOW-CVEARBPZSA-N 1 0 364.471 2.045 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1Br ZINC000602646498 568004176 /nfs/dbraw/zinc/00/41/76/568004176.db2.gz ZZBQFYPSRBHAKX-RKDXNWHRSA-N 1 0 365.249 2.153 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000602785890 568040072 /nfs/dbraw/zinc/04/00/72/568040072.db2.gz WRNZSQFPEZSZLX-KRWDZBQOSA-N 1 0 371.441 2.384 20 5 FEBDRO CSC1(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000568575995 568061412 /nfs/dbraw/zinc/06/14/12/568061412.db2.gz IJFGHIAXBWCVPA-UHFFFAOYSA-N 1 0 373.500 2.238 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603143587 568067359 /nfs/dbraw/zinc/06/73/59/568067359.db2.gz HHHKGKGDOXTMMS-UKRRQHHQSA-N 1 0 372.347 2.224 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000569336124 568395161 /nfs/dbraw/zinc/39/51/61/568395161.db2.gz RSFQBDMDEKQTGX-ZFWWWQNUSA-N 1 0 367.471 2.405 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395285 568400506 /nfs/dbraw/zinc/40/05/06/568400506.db2.gz OKMDDMRGNYRCCM-QIIPPGSGSA-N 1 0 361.442 2.471 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000569474900 568401712 /nfs/dbraw/zinc/40/17/12/568401712.db2.gz VJAICJMEECPWRI-ZJUUUORDSA-N 1 0 373.356 2.452 20 5 FEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000569745846 568414547 /nfs/dbraw/zinc/41/45/47/568414547.db2.gz VKQRYCVNANDBNO-UHFFFAOYSA-N 1 0 362.167 2.156 20 5 FEBDRO C[C@H]1C[C@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570447000 568477355 /nfs/dbraw/zinc/47/73/55/568477355.db2.gz NWZJBOWWKNIHJF-UONOGXRCSA-N 1 0 356.444 2.163 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000570521598 568483954 /nfs/dbraw/zinc/48/39/54/568483954.db2.gz XABMCELZPVKVQG-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(CCO)CCCCC2)c1 ZINC000570720749 568503639 /nfs/dbraw/zinc/50/36/39/568503639.db2.gz MCPNIGJJQOQAMQ-INIZCTEOSA-N 1 0 352.431 2.257 20 5 FEBDRO CO[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000570833130 568539147 /nfs/dbraw/zinc/53/91/47/568539147.db2.gz NDVHJCTUCNQZSB-MRVWCRGKSA-N 1 0 353.444 2.040 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736239772 598498666 /nfs/dbraw/zinc/49/86/66/598498666.db2.gz XVJWBBUVLKPPFK-FRRDWIJNSA-N 1 0 372.433 2.012 20 5 FEBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821600382 599431488 /nfs/dbraw/zinc/43/14/88/599431488.db2.gz KBPMKRHMZWLJFL-UHFFFAOYSA-N 1 0 368.401 2.104 20 5 FEBDRO CC(C)[N@H+](C)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820111671 606123935 /nfs/dbraw/zinc/12/39/35/606123935.db2.gz GKBNDXDREGCLIJ-UHFFFAOYSA-N 1 0 356.390 2.075 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c1 ZINC000821165783 606701297 /nfs/dbraw/zinc/70/12/97/606701297.db2.gz VUPUHVDNUSPWLG-UHFFFAOYSA-N 1 0 368.401 2.234 20 5 FEBDRO CSC1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC[NH+](C)CC1 ZINC000812256414 674659406 /nfs/dbraw/zinc/65/94/06/674659406.db2.gz RBWXTKKGUQXSKN-UHFFFAOYSA-N 1 0 352.460 2.043 20 5 FEBDRO COc1cc(CC[NH2+]C[C@](C)(O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000561582844 674681844 /nfs/dbraw/zinc/68/18/44/674681844.db2.gz USTNKTXDJQGLDK-ZDUSSCGKSA-N 1 0 352.309 2.057 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(F)F ZINC000563115678 674848371 /nfs/dbraw/zinc/84/83/71/674848371.db2.gz IXLQTLUENOHWNI-SECBINFHSA-N 1 0 371.262 2.248 20 5 FEBDRO CCCN(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCCCCC1 ZINC000563477084 674893947 /nfs/dbraw/zinc/89/39/47/674893947.db2.gz ZLSHLMANTZKKLP-UHFFFAOYSA-N 1 0 350.463 2.345 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000564112178 674974628 /nfs/dbraw/zinc/97/46/28/674974628.db2.gz DWUNMKXOEKNRMB-GJZGRUSLSA-N 1 0 353.444 2.172 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000564250189 674988100 /nfs/dbraw/zinc/98/81/00/674988100.db2.gz BKALQEAHHFAGNW-UHFFFAOYSA-N 1 0 367.402 2.103 20 5 FEBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048607487 675011625 /nfs/dbraw/zinc/01/16/25/675011625.db2.gz DSJIPKVKBGMQOV-QHSBEEBCSA-N 1 0 359.417 2.209 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000817151668 675106234 /nfs/dbraw/zinc/10/62/34/675106234.db2.gz XHEOLFWEXHQYKV-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000072706078 670497464 /nfs/dbraw/zinc/49/74/64/670497464.db2.gz PFALHSVSIUEMRD-GFCCVEGCSA-N 1 0 350.375 2.497 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000110085776 670846961 /nfs/dbraw/zinc/84/69/61/670846961.db2.gz SJBONDSULPTFEY-GFCCVEGCSA-N 1 0 356.810 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)C2CCCCC2)cc1 ZINC000571403573 670869254 /nfs/dbraw/zinc/86/92/54/670869254.db2.gz LLUKAGNCAPVVET-HNNXBMFYSA-N 1 0 370.471 2.147 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400445 670890260 /nfs/dbraw/zinc/89/02/60/670890260.db2.gz IHGOWUGYSVJUKZ-NWDGAFQWSA-N 1 0 355.822 2.426 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000573346920 671112012 /nfs/dbraw/zinc/11/20/12/671112012.db2.gz DJZKGXKOWPITJT-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)cc1[N+](=O)[O-] ZINC000573863505 671174343 /nfs/dbraw/zinc/17/43/43/671174343.db2.gz RVOULAHHQLBMOC-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000574082329 671200007 /nfs/dbraw/zinc/20/00/07/671200007.db2.gz NSDPARYCYHPFKS-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000575401380 671312250 /nfs/dbraw/zinc/31/22/50/671312250.db2.gz WRBKZIJVWZRNOP-NVXWUHKLSA-N 1 0 352.431 2.255 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000575401379 671312254 /nfs/dbraw/zinc/31/22/54/671312254.db2.gz WRBKZIJVWZRNOP-DOTOQJQBSA-N 1 0 352.431 2.255 20 5 FEBDRO CC[N@H+](CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000576995659 671409846 /nfs/dbraw/zinc/40/98/46/671409846.db2.gz CKORUMOUVJAJDF-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000577486053 671599260 /nfs/dbraw/zinc/59/92/60/671599260.db2.gz WRMBHQONBUDMBT-NSHDSACASA-N 1 0 355.441 2.218 20 5 FEBDRO COc1ccc(C[N@H+](CCNC(C)=O)C2CCSCC2)cc1[N+](=O)[O-] ZINC000577511519 671601379 /nfs/dbraw/zinc/60/13/79/671601379.db2.gz NWACDWGXNGGITG-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000579344947 671728786 /nfs/dbraw/zinc/72/87/86/671728786.db2.gz QQUSSLUMEQXGJO-HUUCEWRRSA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[N@@H+](CCO)C2CC2)c1 ZINC000579650251 671750464 /nfs/dbraw/zinc/75/04/64/671750464.db2.gz XSIWBYHGUZFGBN-UHFFFAOYSA-N 1 0 362.167 2.156 20 5 FEBDRO O=C(CC[NH2+]CCCOC1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000580065422 671780402 /nfs/dbraw/zinc/78/04/02/671780402.db2.gz WCKJSTIBYKSDQJ-UHFFFAOYSA-N 1 0 351.403 2.099 20 5 FEBDRO C[NH+](C)CCOc1cnccc1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000580118123 671783730 /nfs/dbraw/zinc/78/37/30/671783730.db2.gz WXJXIOWAOLCCJX-UHFFFAOYSA-N 1 0 362.415 2.252 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609875260 675940888 /nfs/dbraw/zinc/94/08/88/675940888.db2.gz CCDMIPMHNQVZET-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000580710256 671826517 /nfs/dbraw/zinc/82/65/17/671826517.db2.gz XNXABFVMUZSYSR-CQSZACIVSA-N 1 0 359.213 2.291 20 5 FEBDRO CC(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000610247396 675960816 /nfs/dbraw/zinc/96/08/16/675960816.db2.gz GIBXZENOAOTGIW-SNVBAGLBSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1nn(CCC(=O)N(CCC[NH3+])CC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000582545618 672011800 /nfs/dbraw/zinc/01/18/00/672011800.db2.gz VTPAKQKBTABZAJ-UHFFFAOYSA-N 1 0 351.451 2.166 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000583747733 672122962 /nfs/dbraw/zinc/12/29/62/672122962.db2.gz CBYXABCBYSFWPG-AMUQQRLOSA-N 1 0 370.471 2.004 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653391 672125198 /nfs/dbraw/zinc/12/51/98/672125198.db2.gz LIXZVSXMCVDYTL-CHWSQXEVSA-N 1 0 353.423 2.169 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139388777 672146410 /nfs/dbraw/zinc/14/64/10/672146410.db2.gz KRBKNDSDQFCDJO-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO CCOc1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793053 672216457 /nfs/dbraw/zinc/21/64/57/672216457.db2.gz BHCRDXGLDSDELE-MSOLQXFVSA-N 1 0 350.415 2.403 20 5 FEBDRO CN1CCC[N@H+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587607348 672442194 /nfs/dbraw/zinc/44/21/94/672442194.db2.gz ARQHIVWRIQYXCX-UHFFFAOYSA-N 1 0 350.448 2.039 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+](CC)CC ZINC000590568282 672590853 /nfs/dbraw/zinc/59/08/53/672590853.db2.gz COIYSDXLALYUPZ-UHFFFAOYSA-N 1 0 358.464 2.037 20 5 FEBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591439697 672680932 /nfs/dbraw/zinc/68/09/32/672680932.db2.gz XXEFYBRHJMFCMO-KOLCDFICSA-N 1 0 373.194 2.388 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591677800 672700514 /nfs/dbraw/zinc/70/05/14/672700514.db2.gz DQRBGTMOBQZSBK-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193909509 672740588 /nfs/dbraw/zinc/74/05/88/672740588.db2.gz NVIKMTIGWZDTPE-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000592255935 672777810 /nfs/dbraw/zinc/77/78/10/672777810.db2.gz UVHGDXQAKOTJMJ-RYUDHWBXSA-N 1 0 350.394 2.168 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593315628 672908169 /nfs/dbraw/zinc/90/81/69/672908169.db2.gz JKSUMOQIURRBAJ-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733744 672984778 /nfs/dbraw/zinc/98/47/78/672984778.db2.gz ITTGZJOCJDLPRQ-FZMZJTMJSA-N 1 0 355.460 2.350 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733734 672984795 /nfs/dbraw/zinc/98/47/95/672984795.db2.gz ILOSLUXJEKRPHS-DOMZBBRYSA-N 1 0 355.460 2.295 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483531 673086987 /nfs/dbraw/zinc/08/69/87/673086987.db2.gz NCOHXUAZQXWTLM-HOCLYGCPSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594485003 673088820 /nfs/dbraw/zinc/08/88/20/673088820.db2.gz ZSVYZUUKXIISDF-GJZGRUSLSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603664 673131455 /nfs/dbraw/zinc/13/14/55/673131455.db2.gz YQYDHUHDBDPDHL-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768424 673135674 /nfs/dbraw/zinc/13/56/74/673135674.db2.gz WUTWLQVBVXNBNT-UHFFFAOYSA-N 1 0 370.475 2.313 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000727071607 673152991 /nfs/dbraw/zinc/15/29/91/673152991.db2.gz CUYPFORYNWDHEA-UHFFFAOYSA-N 1 0 353.492 2.059 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959821 673181173 /nfs/dbraw/zinc/18/11/73/673181173.db2.gz GVASJHXAWWLPCP-VXMWWYGOSA-N 1 0 356.444 2.391 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C(F)F ZINC000595016180 673186461 /nfs/dbraw/zinc/18/64/61/673186461.db2.gz RBLHYYPSJUWJGM-SNVBAGLBSA-N 1 0 365.402 2.143 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000595020473 673186578 /nfs/dbraw/zinc/18/65/78/673186578.db2.gz ZFJROZCCHSXVND-DVOMOZLQSA-N 1 0 367.471 2.287 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595116663 673196195 /nfs/dbraw/zinc/19/61/95/673196195.db2.gz XHDDZNWAMPJNAZ-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000595119799 673196845 /nfs/dbraw/zinc/19/68/45/673196845.db2.gz HVZHKWIRIWXXLO-IAGOWNOFSA-N 1 0 361.423 2.019 20 5 FEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595121299 673197534 /nfs/dbraw/zinc/19/75/34/673197534.db2.gz NSWDRZYZQHGMRQ-SNVBAGLBSA-N 1 0 369.365 2.265 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411734 673246021 /nfs/dbraw/zinc/24/60/21/673246021.db2.gz SKZPQIAMRBXMLU-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595412715 673246437 /nfs/dbraw/zinc/24/64/37/673246437.db2.gz SSHNBOIAVKFTTR-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462576547 673264798 /nfs/dbraw/zinc/26/47/98/673264798.db2.gz UNJIADJTUQIKKR-OAHLLOKOSA-N 1 0 367.471 2.446 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595588614 673270516 /nfs/dbraw/zinc/27/05/16/673270516.db2.gz OETQBOFJBJHBIY-KRWDZBQOSA-N 1 0 350.415 2.261 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780736 673324533 /nfs/dbraw/zinc/32/45/33/673324533.db2.gz MBDLCYKLPOHYLR-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000596065307 673355151 /nfs/dbraw/zinc/35/51/51/673355151.db2.gz QDSLWJZAEDISHZ-MRXNPFEDSA-N 1 0 356.444 2.163 20 5 FEBDRO COc1cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000596105227 673359295 /nfs/dbraw/zinc/35/92/95/673359295.db2.gz HOBZUWVKUQLEFF-GHMZBOCLSA-N 1 0 363.336 2.118 20 5 FEBDRO O=c1[nH]ccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596189096 673366348 /nfs/dbraw/zinc/36/63/48/673366348.db2.gz NUEFTPAJPIDOOK-UHFFFAOYSA-N 1 0 350.419 2.024 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596229248 673369941 /nfs/dbraw/zinc/36/99/41/673369941.db2.gz HQBXUKMYQMXTTG-UHFFFAOYSA-N 1 0 372.853 2.207 20 5 FEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537942770 673414803 /nfs/dbraw/zinc/41/48/03/673414803.db2.gz NZOJTPMWWFGACL-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@H](CC1CCCC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537969603 673415788 /nfs/dbraw/zinc/41/57/88/673415788.db2.gz HHULMWBQHMDZMA-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000538420665 673439458 /nfs/dbraw/zinc/43/94/58/673439458.db2.gz RNCRWVZJCWGHRV-LBPRGKRZSA-N 1 0 350.371 2.146 20 5 FEBDRO CS[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000597101429 673448067 /nfs/dbraw/zinc/44/80/67/673448067.db2.gz QMPRYGIXMWTKMY-RYUDHWBXSA-N 1 0 373.866 2.340 20 5 FEBDRO CS[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+](C)C ZINC000597101426 673448143 /nfs/dbraw/zinc/44/81/43/673448143.db2.gz QMPRYGIXMWTKMY-NWDGAFQWSA-N 1 0 373.866 2.340 20 5 FEBDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073654 673472557 /nfs/dbraw/zinc/47/25/57/673472557.db2.gz VYQJWDUSRUWMTL-UONOGXRCSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000597442973 673478118 /nfs/dbraw/zinc/47/81/18/673478118.db2.gz ZRQCMFLFMFEITK-AWEZNQCLSA-N 1 0 352.822 2.232 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000597710633 673501497 /nfs/dbraw/zinc/50/14/97/673501497.db2.gz XCMYCAXRHSIDGV-CYBMUJFWSA-N 1 0 365.455 2.254 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598451913 673571636 /nfs/dbraw/zinc/57/16/36/673571636.db2.gz FQBYZLCXTMCVKH-CQSZACIVSA-N 1 0 367.833 2.228 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000542498123 673586843 /nfs/dbraw/zinc/58/68/43/673586843.db2.gz OIHTZHJJLDNFDL-XJKCOSOUSA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598715283 673602613 /nfs/dbraw/zinc/60/26/13/673602613.db2.gz NXSXHNVIACRXPN-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000542769385 673604073 /nfs/dbraw/zinc/60/40/73/673604073.db2.gz WKGAHFLIFZLTCG-HOTGVXAUSA-N 1 0 365.455 2.012 20 5 FEBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543176604 673630359 /nfs/dbraw/zinc/63/03/59/673630359.db2.gz HEEJBRWVZSCTCW-KGLIPLIRSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000543248157 673635822 /nfs/dbraw/zinc/63/58/22/673635822.db2.gz RRAIMZRUZLNNJN-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599157072 673637255 /nfs/dbraw/zinc/63/72/55/673637255.db2.gz MQPRAPHDMDJIEA-SECBINFHSA-N 1 0 354.204 2.324 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000740840722 673656783 /nfs/dbraw/zinc/65/67/83/673656783.db2.gz CTLYEWVKKAJVNG-OLZOCXBDSA-N 1 0 353.394 2.444 20 5 FEBDRO CC[C@@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741032000 673667092 /nfs/dbraw/zinc/66/70/92/673667092.db2.gz CVNRSHDFQPKDDV-ZDUSSCGKSA-N 1 0 355.366 2.336 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000599390524 673668328 /nfs/dbraw/zinc/66/83/28/673668328.db2.gz JHXFUEPOZSRLNV-CQSZACIVSA-N 1 0 371.434 2.419 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464631 673678521 /nfs/dbraw/zinc/67/85/21/673678521.db2.gz OUJLJAIQHUPEKM-OAHLLOKOSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599464574 673678608 /nfs/dbraw/zinc/67/86/08/673678608.db2.gz OEUQIQZUGYVWOF-MRXNPFEDSA-N 1 0 353.444 2.031 20 5 FEBDRO CC1(C)CCC[C@](CO)([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599594760 673695348 /nfs/dbraw/zinc/69/53/48/673695348.db2.gz IVNUMIIIZWTZCH-YJBOKZPZSA-N 1 0 352.431 2.255 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599622583 673698415 /nfs/dbraw/zinc/69/84/15/673698415.db2.gz LQFWZXBYTLXEMJ-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626121 673699151 /nfs/dbraw/zinc/69/91/51/673699151.db2.gz UISXUJPADZQSIN-QLQJRFMMSA-N 1 0 351.403 2.334 20 5 FEBDRO Cc1c(NC(=O)CCN2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599667703 673704149 /nfs/dbraw/zinc/70/41/49/673704149.db2.gz IPJNWSOZMRCUCI-UHFFFAOYSA-N 1 0 352.410 2.209 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601310503 673841357 /nfs/dbraw/zinc/84/13/57/673841357.db2.gz QDEGHWSLCVLRSN-UHFFFAOYSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(F)cc1[N+](=O)[O-] ZINC000601342159 673845101 /nfs/dbraw/zinc/84/51/01/673845101.db2.gz RPEMIFWUNGEKJX-GFCCVEGCSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])s1 ZINC000601341320 673845166 /nfs/dbraw/zinc/84/51/66/673845166.db2.gz BFWGXWKOTPSZFS-SNVBAGLBSA-N 1 0 359.473 2.117 20 5 FEBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000547413285 673849253 /nfs/dbraw/zinc/84/92/53/673849253.db2.gz JLNKZIQPQSCRNU-UHFFFAOYSA-N 1 0 351.794 2.445 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601446135 673863955 /nfs/dbraw/zinc/86/39/55/673863955.db2.gz SZQCKRPRMNMDEF-UHFFFAOYSA-N 1 0 359.423 2.193 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601497497 673871112 /nfs/dbraw/zinc/87/11/12/673871112.db2.gz YUPZHJCVMLNDMP-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601502161 673871831 /nfs/dbraw/zinc/87/18/31/673871831.db2.gz MBVZZDBADXCZHC-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1Br ZINC000602669571 673909526 /nfs/dbraw/zinc/90/95/26/673909526.db2.gz JVPKUGMSMCTDKO-SFYZADRCSA-N 1 0 351.222 2.048 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555102 673908045 /nfs/dbraw/zinc/90/80/45/673908045.db2.gz OMSUMOZMJZDQDP-YPMHNXCESA-N 1 0 353.444 2.093 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602583074 673908265 /nfs/dbraw/zinc/90/82/65/673908265.db2.gz PFOPFKAAEAENTA-AWEZNQCLSA-N 1 0 367.833 2.479 20 5 FEBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602599646 673908727 /nfs/dbraw/zinc/90/87/27/673908727.db2.gz JVHKAENVSDAEQN-UHFFFAOYSA-N 1 0 351.451 2.189 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602650481 673909103 /nfs/dbraw/zinc/90/91/03/673909103.db2.gz MAJZMBCODRGRJR-UHFFFAOYSA-N 1 0 350.419 2.138 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(SC)CC2)cc1[N+](=O)[O-] ZINC000602727002 673909999 /nfs/dbraw/zinc/90/99/99/673909999.db2.gz VKQPECYKIRXVLA-UHFFFAOYSA-N 1 0 354.428 2.474 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000602805473 673911393 /nfs/dbraw/zinc/91/13/93/673911393.db2.gz KERUERVVJBRHIR-CYBMUJFWSA-N 1 0 358.320 2.442 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602853440 673912193 /nfs/dbraw/zinc/91/21/93/673912193.db2.gz YKXJRZDHJCFVEM-OCCSQVGLSA-N 1 0 352.435 2.399 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548496603 673963133 /nfs/dbraw/zinc/96/31/33/673963133.db2.gz YYMGNMCDWFRBEI-ZDUSSCGKSA-N 1 0 351.794 2.014 20 5 FEBDRO CC(C)OCCN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819128717 675263139 /nfs/dbraw/zinc/26/31/39/675263139.db2.gz QXUXURLULFNZQH-GOSISDBHSA-N 1 0 351.447 2.107 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000819315312 675280465 /nfs/dbraw/zinc/28/04/65/675280465.db2.gz WMTMMHGIRYXLPL-CQSZACIVSA-N 1 0 369.219 2.267 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782960 675322107 /nfs/dbraw/zinc/32/21/07/675322107.db2.gz HQUYMEPXTAGXOE-AAEUAGOBSA-N 1 0 353.444 2.061 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000567782853 675322132 /nfs/dbraw/zinc/32/21/32/675322132.db2.gz DPFLUDBGSXRFSK-GOEBONIOSA-N 1 0 367.471 2.262 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782962 675322249 /nfs/dbraw/zinc/32/22/49/675322249.db2.gz HQUYMEPXTAGXOE-WCQYABFASA-N 1 0 353.444 2.061 20 5 FEBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179905 675534608 /nfs/dbraw/zinc/53/46/08/675534608.db2.gz ZYSGCDHJVDZJFC-MRXNPFEDSA-N 1 0 352.410 2.335 20 5 FEBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccs2)CC1 ZINC000823875651 675575349 /nfs/dbraw/zinc/57/53/49/675575349.db2.gz DSGVNSRENVSAHZ-INIZCTEOSA-N 1 0 361.423 2.034 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000603659044 675800796 /nfs/dbraw/zinc/80/07/96/675800796.db2.gz SZNXUOPOTDUQME-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959026 675855217 /nfs/dbraw/zinc/85/52/17/675855217.db2.gz KMGXDTXEXGQIGQ-MNOVXSKESA-N 1 0 356.785 2.278 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000618455683 676340464 /nfs/dbraw/zinc/34/04/64/676340464.db2.gz CTQXRVJOTDAYHU-ZDUSSCGKSA-N 1 0 355.822 2.397 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619479310 676379588 /nfs/dbraw/zinc/37/95/88/676379588.db2.gz QYIMPRHIXOYKMW-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000830791492 677060973 /nfs/dbraw/zinc/06/09/73/677060973.db2.gz UKGUDMDHRBYPJP-UHFFFAOYSA-N 1 0 354.382 2.106 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839536587 680760158 /nfs/dbraw/zinc/76/01/58/680760158.db2.gz SDPHATKKORDSAR-UHFFFAOYSA-N 1 0 370.837 2.377 20 5 FEBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+]1CCO ZINC000839575247 680763212 /nfs/dbraw/zinc/76/32/12/680763212.db2.gz SJFWJLNMZUDWNT-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082404 680771691 /nfs/dbraw/zinc/77/16/91/680771691.db2.gz FVBGAQAQQUTNGC-UWVGGRQHSA-N 1 0 357.794 2.364 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000831494904 679992335 /nfs/dbraw/zinc/99/23/35/679992335.db2.gz ICJFDERBSCYUEA-SNVBAGLBSA-N 1 0 354.382 2.152 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000749146620 680023433 /nfs/dbraw/zinc/02/34/33/680023433.db2.gz IVWVBTFCCZPMFK-GFCCVEGCSA-N 1 0 352.391 2.082 20 5 FEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000831782663 680042849 /nfs/dbraw/zinc/04/28/49/680042849.db2.gz UAYUBSISASSHOB-LBPRGKRZSA-N 1 0 361.489 2.445 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140368 680101138 /nfs/dbraw/zinc/10/11/38/680101138.db2.gz CYEMZRWYXVNASH-NZHONMPCSA-N 1 0 358.225 2.395 20 5 FEBDRO CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064108 680193358 /nfs/dbraw/zinc/19/33/58/680193358.db2.gz WPHMRLLWLDXJJR-NWJSVONSSA-N 1 0 367.833 2.141 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063944 680193388 /nfs/dbraw/zinc/19/33/88/680193388.db2.gz QIVRHNKWRPGNHU-XJFOESAGSA-N 1 0 357.332 2.107 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000981136875 680217174 /nfs/dbraw/zinc/21/71/74/680217174.db2.gz JWCBHAYGKGFPSI-HUUCEWRRSA-N 1 0 353.369 2.324 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000752246572 680231772 /nfs/dbraw/zinc/23/17/72/680231772.db2.gz GVRBDSIDRCDMHA-GFCCVEGCSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752255554 680232278 /nfs/dbraw/zinc/23/22/78/680232278.db2.gz RJAAJVHLIFFLJF-WDEREUQCSA-N 1 0 361.851 2.318 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000996428699 680332310 /nfs/dbraw/zinc/33/23/10/680332310.db2.gz GLFHCXNUKTWHPN-UKRRQHHQSA-N 1 0 355.797 2.225 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC000996443066 680332668 /nfs/dbraw/zinc/33/26/68/680332668.db2.gz YUCAJKXBIIERCX-CZUORRHYSA-N 1 0 369.824 2.267 20 5 FEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775993 680337147 /nfs/dbraw/zinc/33/71/47/680337147.db2.gz SXNBNQVREYUSAL-NOLYXNQESA-N 1 0 361.829 2.065 20 5 FEBDRO Cc1cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001029964674 680394303 /nfs/dbraw/zinc/39/43/03/680394303.db2.gz VECIHHPGRZGWGS-HZPDHXFCSA-N 1 0 351.472 2.392 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000837224553 680570933 /nfs/dbraw/zinc/57/09/33/680570933.db2.gz GKWCGNRLNHBYBT-UHFFFAOYSA-N 1 0 352.410 2.404 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160270 680866612 /nfs/dbraw/zinc/86/66/12/680866612.db2.gz BIBGUKUUFQGHJT-KCJUWKMLSA-N 1 0 357.208 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000842892918 680974015 /nfs/dbraw/zinc/97/40/15/680974015.db2.gz IMYIRSUDXTUDPC-STQMWFEESA-N 1 0 371.434 2.053 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000842893116 680974018 /nfs/dbraw/zinc/97/40/18/680974018.db2.gz JYEMBRDNNIFMTO-NWDGAFQWSA-N 1 0 373.862 2.258 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000843105443 680988099 /nfs/dbraw/zinc/98/80/99/680988099.db2.gz FOCCXWUFQAEUJP-RDJZCZTQSA-N 1 0 366.801 2.311 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000843279891 680995155 /nfs/dbraw/zinc/99/51/55/680995155.db2.gz MVEAFTDBIJPKEM-BETUJISGSA-N 1 0 352.460 2.333 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000772156659 681088102 /nfs/dbraw/zinc/08/81/02/681088102.db2.gz SDYDITLJCUWUES-QWHCGFSZSA-N 1 0 353.806 2.150 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000912595670 685402894 /nfs/dbraw/zinc/40/28/94/685402894.db2.gz ZKPUHFRTAXZZRB-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773101246 681125622 /nfs/dbraw/zinc/12/56/22/681125622.db2.gz OCONEHOTPSLDFH-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1COC3(CCCC3)O1)OCCO2 ZINC000773419564 681141035 /nfs/dbraw/zinc/14/10/35/681141035.db2.gz XFAGVDZWXGLIPR-ZDUSSCGKSA-N 1 0 350.371 2.141 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774641140 681214167 /nfs/dbraw/zinc/21/41/67/681214167.db2.gz YCSJBRSKXSDXEU-GFCCVEGCSA-N 1 0 365.821 2.356 20 5 FEBDRO O=C1NCC[C@H]1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895136 681304642 /nfs/dbraw/zinc/30/46/42/681304642.db2.gz LUMRFTMSERCETO-JTQLQIEISA-N 1 0 368.231 2.242 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775815107 681338499 /nfs/dbraw/zinc/33/84/99/681338499.db2.gz ISOBJUJWOPFGCA-NOLJZWGESA-N 1 0 351.403 2.085 20 5 FEBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000775820938 681339306 /nfs/dbraw/zinc/33/93/06/681339306.db2.gz XXZAOGGPNPDUGH-UONOGXRCSA-N 1 0 351.403 2.430 20 5 FEBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000775820939 681339317 /nfs/dbraw/zinc/33/93/17/681339317.db2.gz XXZAOGGPNPDUGH-ZIAGYGMSSA-N 1 0 351.403 2.430 20 5 FEBDRO C[C@@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCCC1 ZINC000847960263 681456137 /nfs/dbraw/zinc/45/61/37/681456137.db2.gz ZWBIEQKYOMDYNJ-LBPRGKRZSA-N 1 0 350.371 2.397 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000912812776 685446193 /nfs/dbraw/zinc/44/61/93/685446193.db2.gz AVALEBCVLLPMBS-DZGCQCFKSA-N 1 0 351.451 2.069 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580217 681581813 /nfs/dbraw/zinc/58/18/13/681581813.db2.gz KPASCKRCQKDOJD-NSHDSACASA-N 1 0 355.341 2.167 20 5 FEBDRO CCCCCCNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849081948 681651052 /nfs/dbraw/zinc/65/10/52/681651052.db2.gz REPKRZKIEBYQHJ-UHFFFAOYSA-N 1 0 356.448 2.063 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+](C)C ZINC000849429112 681731170 /nfs/dbraw/zinc/73/11/70/681731170.db2.gz JDHDGDDNQHVDLQ-MRVPVSSYSA-N 1 0 353.803 2.006 20 5 FEBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654542 681736583 /nfs/dbraw/zinc/73/65/83/681736583.db2.gz OVGZCXNQHILMEI-AWEZNQCLSA-N 1 0 356.810 2.356 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1C ZINC000780720476 681866117 /nfs/dbraw/zinc/86/61/17/681866117.db2.gz RXQDLRJNDRNOAT-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000936015819 681876923 /nfs/dbraw/zinc/87/69/23/681876923.db2.gz ZMASMQYHTTYEDD-UHFFFAOYSA-N 1 0 368.503 2.272 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000850455128 681903859 /nfs/dbraw/zinc/90/38/59/681903859.db2.gz VYPSTVRSFLRDSM-JSGCOSHPSA-N 1 0 352.387 2.176 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781623306 681953666 /nfs/dbraw/zinc/95/36/66/681953666.db2.gz DCVUCFMOSROCKR-LBPRGKRZSA-N 1 0 352.391 2.282 20 5 FEBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(C2CC2)C1 ZINC000782492748 682049211 /nfs/dbraw/zinc/04/92/11/682049211.db2.gz PKEOBOMQZPEUIL-AWEZNQCLSA-N 1 0 350.394 2.231 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783620324 682159754 /nfs/dbraw/zinc/15/97/54/682159754.db2.gz LOCBTLMBQUARHD-UHFFFAOYSA-N 1 0 368.865 2.281 20 5 FEBDRO COc1ccc(OCCOC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000785738094 682322172 /nfs/dbraw/zinc/32/21/72/682322172.db2.gz ZYANBZADVBONEI-STQMWFEESA-N 1 0 352.387 2.398 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000852762227 682338725 /nfs/dbraw/zinc/33/87/25/682338725.db2.gz KBOBYJSTGSUHBG-OAHLLOKOSA-N 1 0 352.391 2.046 20 5 FEBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437706 682529917 /nfs/dbraw/zinc/52/99/17/682529917.db2.gz SXTAFGDNIHLCHC-QWHCGFSZSA-N 1 0 358.464 2.078 20 5 FEBDRO COc1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000788683996 682550478 /nfs/dbraw/zinc/55/04/78/682550478.db2.gz WICIYSWTGZDILU-UHFFFAOYSA-N 1 0 366.395 2.433 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000790451435 682678433 /nfs/dbraw/zinc/67/84/33/682678433.db2.gz RUDJXDZAAARQNU-AWEZNQCLSA-N 1 0 373.450 2.441 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cn1 ZINC000790597644 682687246 /nfs/dbraw/zinc/68/72/46/682687246.db2.gz DAOZOEUDJKRDHF-UHFFFAOYSA-N 1 0 369.784 2.327 20 5 FEBDRO CCC[N@@H+]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856073406 682739386 /nfs/dbraw/zinc/73/93/86/682739386.db2.gz PFIZHHQLHPDYOQ-ZDUSSCGKSA-N 1 0 350.375 2.036 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000792016942 682781258 /nfs/dbraw/zinc/78/12/58/682781258.db2.gz QUSIBIRBWSVJLE-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000857228374 682866807 /nfs/dbraw/zinc/86/68/07/682866807.db2.gz LENBVKWJGCJJTC-UHFFFAOYSA-N 1 0 353.444 2.156 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000858615771 682985470 /nfs/dbraw/zinc/98/54/70/682985470.db2.gz LFBZKGFNZQZXOS-CYBMUJFWSA-N 1 0 361.851 2.175 20 5 FEBDRO C[C@@H](C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096256 683201245 /nfs/dbraw/zinc/20/12/45/683201245.db2.gz VVADICQQQRBVAV-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228008 683325656 /nfs/dbraw/zinc/32/56/56/683325656.db2.gz CZMMRTLGEMAFQZ-VIFPVBQESA-N 1 0 367.830 2.396 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294663 683332377 /nfs/dbraw/zinc/33/23/77/683332377.db2.gz HPJXXODAFPHDBJ-CABZTGNLSA-N 1 0 371.235 2.165 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171159 683556681 /nfs/dbraw/zinc/55/66/81/683556681.db2.gz GXHAFDMQKLIQPH-STQMWFEESA-N 1 0 360.336 2.222 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000929832715 683644318 /nfs/dbraw/zinc/64/43/18/683644318.db2.gz DZBSSPGTYLUKGR-CABZTGNLSA-N 1 0 356.329 2.364 20 5 FEBDRO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294535 683699504 /nfs/dbraw/zinc/69/95/04/683699504.db2.gz HIVHKPRYECTKRU-HLLBOEOZSA-N 1 0 363.439 2.459 20 5 FEBDRO CN1CC[C@H]([NH+]2CCC(Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1=O ZINC000865886805 684040927 /nfs/dbraw/zinc/04/09/27/684040927.db2.gz MWSWFUKNJSGGCJ-HNNXBMFYSA-N 1 0 352.822 2.355 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000866020571 684061421 /nfs/dbraw/zinc/06/14/21/684061421.db2.gz NSCQQCSDLVIMSB-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866820844 684160762 /nfs/dbraw/zinc/16/07/62/684160762.db2.gz WVKVOJJWNCKPBJ-AAEUAGOBSA-N 1 0 373.862 2.319 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931309609 684259030 /nfs/dbraw/zinc/25/90/30/684259030.db2.gz DVPIUYYAGSAVSW-IAGOWNOFSA-N 1 0 366.849 2.460 20 5 FEBDRO CCOc1ccc(NC(=O)CN2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000923443772 684281957 /nfs/dbraw/zinc/28/19/57/684281957.db2.gz RGEPTFPBTMOMRU-AGIUHOORSA-N 1 0 350.419 2.003 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000931664514 684323393 /nfs/dbraw/zinc/32/33/93/684323393.db2.gz SQBGHBPMCOSGPE-SNVBAGLBSA-N 1 0 371.235 2.106 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931990587 684383866 /nfs/dbraw/zinc/38/38/66/684383866.db2.gz RNOQTBAONSBBBA-ZDUSSCGKSA-N 1 0 353.444 2.157 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022088 684915996 /nfs/dbraw/zinc/91/59/96/684915996.db2.gz SXUJPZMLIUPRCF-NSHDSACASA-N 1 0 359.423 2.199 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000872085889 684918471 /nfs/dbraw/zinc/91/84/71/684918471.db2.gz RSUYUULCOBNHKB-BLLLJJGKSA-N 1 0 356.444 2.135 20 5 FEBDRO Cc1c(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873051287 685059613 /nfs/dbraw/zinc/05/96/13/685059613.db2.gz HHSPITBTJJTSTN-AWEZNQCLSA-N 1 0 358.320 2.176 20 5 FEBDRO COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1[N+](=O)[O-] ZINC000873171680 685087552 /nfs/dbraw/zinc/08/75/52/685087552.db2.gz UPSCGCHQOCACIE-AGUYFDCRSA-N 1 0 354.428 2.049 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)n1 ZINC000878525031 686601411 /nfs/dbraw/zinc/60/14/11/686601411.db2.gz XBLIAZUUWMPUES-HNNXBMFYSA-N 1 0 350.419 2.156 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878650200 686628287 /nfs/dbraw/zinc/62/82/87/686628287.db2.gz HWSCRPIAUCUMAM-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879575509 686860899 /nfs/dbraw/zinc/86/08/99/686860899.db2.gz LCHOTKKFNVWXCM-SMDDNHRTSA-N 1 0 352.822 2.213 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000882768445 687479962 /nfs/dbraw/zinc/47/99/62/687479962.db2.gz FAFGGEPZOHMUPE-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000882811613 687499816 /nfs/dbraw/zinc/49/98/16/687499816.db2.gz AYTPNCOMXFNSNH-UHFFFAOYSA-N 1 0 350.394 2.044 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000883307095 687605690 /nfs/dbraw/zinc/60/56/90/687605690.db2.gz MBSRRZYDHAHFMZ-HZPDHXFCSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884954311 687973448 /nfs/dbraw/zinc/97/34/48/687973448.db2.gz CBUKGNJGJZDYLE-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000885456124 688077198 /nfs/dbraw/zinc/07/71/98/688077198.db2.gz YLDIXZRIPHMWHI-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895601 688180916 /nfs/dbraw/zinc/18/09/16/688180916.db2.gz IESGXUKQCJRQTK-AWEZNQCLSA-N 1 0 365.455 2.300 20 5 FEBDRO CSCc1n[nH]c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000886753430 688301893 /nfs/dbraw/zinc/30/18/93/688301893.db2.gz KNVDCIVHVCHRCK-UHFFFAOYSA-N 1 0 362.459 2.335 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000886901091 688336826 /nfs/dbraw/zinc/33/68/26/688336826.db2.gz PNTVFVZTMAGQIT-QGZVFWFLSA-N 1 0 367.471 2.366 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@H]1CCCC[NH2+]1 ZINC000891972556 689134291 /nfs/dbraw/zinc/13/42/91/689134291.db2.gz IECJRVYWLZOKRV-GFCCVEGCSA-N 1 0 371.235 2.299 20 5 FEBDRO C[C@@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000892293906 689176451 /nfs/dbraw/zinc/17/64/51/689176451.db2.gz HBSGANQUCSBBOC-SKDRFNHKSA-N 1 0 371.235 2.297 20 5 FEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCC[N@@H+](CCO)CC1 ZINC000892338493 689182844 /nfs/dbraw/zinc/18/28/44/689182844.db2.gz ZBUBCJBGIVRDLF-UHFFFAOYSA-N 1 0 350.806 2.301 20 5 FEBDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892564518 689212635 /nfs/dbraw/zinc/21/26/35/689212635.db2.gz UUDVEWOHHRNCSJ-UHFFFAOYSA-N 1 0 368.865 2.328 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898124279 690131689 /nfs/dbraw/zinc/13/16/89/690131689.db2.gz JCWPQJWSQWPBLF-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837399 690571836 /nfs/dbraw/zinc/57/18/36/690571836.db2.gz GICOIBBJOLIYRX-SJORKVTESA-N 1 0 365.455 2.016 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903200759 690865568 /nfs/dbraw/zinc/86/55/68/690865568.db2.gz TYVSJTGFPBHUPX-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000905477031 691123839 /nfs/dbraw/zinc/12/38/39/691123839.db2.gz DARFPDWSYNHTTE-LSDHHAIUSA-N 1 0 350.415 2.273 20 5 FEBDRO CC1(C)CO[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905480104 691124172 /nfs/dbraw/zinc/12/41/72/691124172.db2.gz VZDIPRUSTCZEOX-AWEZNQCLSA-N 1 0 356.444 2.163 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907935553 691586363 /nfs/dbraw/zinc/58/63/63/691586363.db2.gz UBKZQCYNIRBUQZ-NSHDSACASA-N 1 0 361.801 2.210 20 5 FEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C2 ZINC000908534737 691694698 /nfs/dbraw/zinc/69/46/98/691694698.db2.gz FQINRUINUAQIJI-INIZCTEOSA-N 1 0 352.822 2.388 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)nc1Cl ZINC001164403290 718862059 /nfs/dbraw/zinc/86/20/59/718862059.db2.gz MCHJUMSGFMLQOO-KOLCDFICSA-N 1 0 362.764 2.003 20 5 FEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001164728507 720508661 /nfs/dbraw/zinc/50/86/61/720508661.db2.gz GCAGYEBNVKZLEK-NSHDSACASA-N 1 0 350.810 2.038 20 5 FEBDRO Cc1ccnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1[N+](=O)[O-] ZINC001164734178 720555550 /nfs/dbraw/zinc/55/55/50/720555550.db2.gz XOXUKXNBIHNNTE-UHFFFAOYSA-N 1 0 356.430 2.153 20 5 FEBDRO Nc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906329 721540153 /nfs/dbraw/zinc/54/01/53/721540153.db2.gz JVLKKUYLCDOHHS-DZGCQCFKSA-N 1 0 373.388 2.053 20 5 FEBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907537 721551973 /nfs/dbraw/zinc/55/19/73/721551973.db2.gz OCUDDDXAOTZDLZ-GOEBONIOSA-N 1 0 373.388 2.053 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164927599 721858577 /nfs/dbraw/zinc/85/85/77/721858577.db2.gz LNUSJQTVQYUVSL-ZIAGYGMSSA-N 1 0 353.854 2.166 20 5 FEBDRO Nc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164955845 722019167 /nfs/dbraw/zinc/01/91/67/722019167.db2.gz OYWNIKRRSCJXRY-UHFFFAOYSA-N 1 0 368.441 2.460 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800542026 674060936 /nfs/dbraw/zinc/06/09/36/674060936.db2.gz YTUZSRYSFLKDMH-AAEUAGOBSA-N 1 0 361.851 2.056 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026852809 539794583 /nfs/dbraw/zinc/79/45/83/539794583.db2.gz FCNZXZPLIWREBM-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO COc1cccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000027594945 539811023 /nfs/dbraw/zinc/81/10/23/539811023.db2.gz JAOLJFWGLWRCTQ-SFHVURJKSA-N 1 0 373.409 2.401 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441263 539939451 /nfs/dbraw/zinc/93/94/51/539939451.db2.gz QQSXLMUWOIFNNX-STQMWFEESA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000041651450 540029745 /nfs/dbraw/zinc/02/97/45/540029745.db2.gz RVGUJJVWMJRMLO-GXTWGEPZSA-N 1 0 362.430 2.078 20 5 FEBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000045851939 540231368 /nfs/dbraw/zinc/23/13/68/540231368.db2.gz ABDNJDMFVSIQPH-INIZCTEOSA-N 1 0 351.407 2.187 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000046034338 540238611 /nfs/dbraw/zinc/23/86/11/540238611.db2.gz XWHZKFVXGYHFEB-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000046388163 540255329 /nfs/dbraw/zinc/25/53/29/540255329.db2.gz KWHVYWSJOKVKNJ-INIZCTEOSA-N 1 0 372.425 2.296 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000048427732 540361690 /nfs/dbraw/zinc/36/16/90/540361690.db2.gz YNNZEMMXJZXNMW-UHFFFAOYSA-N 1 0 353.444 2.111 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000048847733 540375050 /nfs/dbraw/zinc/37/50/50/540375050.db2.gz BIALNFTZGBGJAP-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000052247434 540460497 /nfs/dbraw/zinc/46/04/97/540460497.db2.gz DVSODEDVWCBGHV-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000052247433 540460606 /nfs/dbraw/zinc/46/06/06/540460606.db2.gz DVSODEDVWCBGHV-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000054647099 540599658 /nfs/dbraw/zinc/59/96/58/540599658.db2.gz SYKFZLJCJSPQPV-UHFFFAOYSA-N 1 0 368.437 2.495 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000055281236 540643027 /nfs/dbraw/zinc/64/30/27/540643027.db2.gz CJZQFTZWUBTVMC-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055298065 540645009 /nfs/dbraw/zinc/64/50/09/540645009.db2.gz BFYVHEUSASQPQM-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1OC ZINC000055719125 540672905 /nfs/dbraw/zinc/67/29/05/540672905.db2.gz JBDWSKUMLVLXEB-CQSZACIVSA-N 1 0 351.403 2.072 20 5 FEBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056330270 540719121 /nfs/dbraw/zinc/71/91/21/540719121.db2.gz BCYQEAVPBQSLIX-UHFFFAOYSA-N 1 0 371.441 2.255 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000057148210 540772254 /nfs/dbraw/zinc/77/22/54/540772254.db2.gz JTJFNLWQYXPQDI-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000057839571 540818946 /nfs/dbraw/zinc/81/89/46/540818946.db2.gz WCESUDUMFKQDOT-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cn1 ZINC000061635865 541135636 /nfs/dbraw/zinc/13/56/36/541135636.db2.gz SIJLIZXNYQYYBF-UHFFFAOYSA-N 1 0 372.429 2.205 20 5 FEBDRO CC1CCC([NH+]2CCC(N(C)C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000061291020 541129000 /nfs/dbraw/zinc/12/90/00/541129000.db2.gz UXTHGFKQYOEVED-UHFFFAOYSA-N 1 0 363.462 2.293 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000065774110 541260897 /nfs/dbraw/zinc/26/08/97/541260897.db2.gz QMOSSICTTWKJOK-KRWDZBQOSA-N 1 0 359.430 2.381 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000066725935 541366101 /nfs/dbraw/zinc/36/61/01/541366101.db2.gz KJWLYQPMCUIOMN-UHFFFAOYSA-N 1 0 359.430 2.210 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067206554 541432891 /nfs/dbraw/zinc/43/28/91/541432891.db2.gz ALGIFJVPLJFLJF-OAHLLOKOSA-N 1 0 357.414 2.009 20 5 FEBDRO CC[NH+]1CCC(Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000067382995 541452429 /nfs/dbraw/zinc/45/24/29/541452429.db2.gz NNNJSCHOTOQDLZ-UHFFFAOYSA-N 1 0 357.414 2.456 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC2CC[NH+](CC)CC2)cc([N+](=O)[O-])c1 ZINC000067682904 541498764 /nfs/dbraw/zinc/49/87/64/541498764.db2.gz LXTIFGGMWPUQTA-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000068753398 541625016 /nfs/dbraw/zinc/62/50/16/541625016.db2.gz UPKOLDJQYRYMJR-QGZVFWFLSA-N 1 0 373.409 2.401 20 5 FEBDRO COc1cc(OCC(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000068899608 541638266 /nfs/dbraw/zinc/63/82/66/541638266.db2.gz YNMIQGFRXFGQNB-UHFFFAOYSA-N 1 0 365.430 2.363 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069745962 541710808 /nfs/dbraw/zinc/71/08/08/541710808.db2.gz KZFUFWUCMOJUPC-LXXRFIIISA-N 1 0 359.426 2.179 20 5 FEBDRO Cn1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053213401 205189762 /nfs/dbraw/zinc/18/97/62/205189762.db2.gz XRMKSKQMFLLFIZ-UHFFFAOYSA-N 1 0 369.425 2.352 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000072898441 541890199 /nfs/dbraw/zinc/89/01/99/541890199.db2.gz SWKDNRXHFKEHKQ-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000072904588 541892333 /nfs/dbraw/zinc/89/23/33/541892333.db2.gz DUNSKBZKRWHGDC-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000074136759 542041949 /nfs/dbraw/zinc/04/19/49/542041949.db2.gz MFFUNAPEHNVNOA-QGZVFWFLSA-N 1 0 359.430 2.487 20 5 FEBDRO COc1ccccc1C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075711447 542199340 /nfs/dbraw/zinc/19/93/40/542199340.db2.gz JEMHPXZOVVLOSW-QAPCUYQASA-N 1 0 374.441 2.116 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000801546642 674134753 /nfs/dbraw/zinc/13/47/53/674134753.db2.gz NRVDOGAJZOHNKO-RYUDHWBXSA-N 1 0 372.263 2.244 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078427972 542461502 /nfs/dbraw/zinc/46/15/02/542461502.db2.gz QYPOXTKLZRPNCD-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000551594684 674153257 /nfs/dbraw/zinc/15/32/57/674153257.db2.gz UQNUDUIBYUVQRE-HNNXBMFYSA-N 1 0 351.447 2.189 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000078969149 542491706 /nfs/dbraw/zinc/49/17/06/542491706.db2.gz IGHCOBKYEDQGFU-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000080702725 542602239 /nfs/dbraw/zinc/60/22/39/542602239.db2.gz KTFRHIOZGLHINO-UHFFFAOYSA-N 1 0 364.446 2.021 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc(OC)c1 ZINC000088751426 542755585 /nfs/dbraw/zinc/75/55/85/542755585.db2.gz FNCHSTUQYXNPNL-ZDUSSCGKSA-N 1 0 361.402 2.032 20 5 FEBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000089961823 542778429 /nfs/dbraw/zinc/77/84/29/542778429.db2.gz LSWPRIKQNFOSHX-HUUCEWRRSA-N 1 0 361.423 2.022 20 5 FEBDRO CCC[N@H+](CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092382074 542861095 /nfs/dbraw/zinc/86/10/95/542861095.db2.gz QRKUJMGZZQBSDI-UHFFFAOYSA-N 1 0 359.430 2.296 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000101951107 543050893 /nfs/dbraw/zinc/05/08/93/543050893.db2.gz QDIQUFCDMKTQRP-CQSZACIVSA-N 1 0 362.430 2.280 20 5 FEBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000102246059 543063556 /nfs/dbraw/zinc/06/35/56/543063556.db2.gz XFCFUOTYYPBOAY-UHFFFAOYSA-N 1 0 359.430 2.393 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000106088638 543193537 /nfs/dbraw/zinc/19/35/37/543193537.db2.gz WGYPENCCOBNGPE-MRXNPFEDSA-N 1 0 357.414 2.494 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107283672 543265924 /nfs/dbraw/zinc/26/59/24/543265924.db2.gz CVDPMQZAZQJDIR-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000107894206 543281014 /nfs/dbraw/zinc/28/10/14/543281014.db2.gz BYLOBHDIUQBAGE-HNNXBMFYSA-N 1 0 360.458 2.269 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108403870 543288994 /nfs/dbraw/zinc/28/89/94/543288994.db2.gz CNGBBUDLBWJZST-GFCCVEGCSA-N 1 0 373.862 2.319 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109980977 543345513 /nfs/dbraw/zinc/34/55/13/543345513.db2.gz BUZSUCQDOHSHAH-OAHLLOKOSA-N 1 0 351.451 2.261 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CCCC2)CC1 ZINC000110049805 543347542 /nfs/dbraw/zinc/34/75/42/543347542.db2.gz ARUJJBNWGMSWEC-UHFFFAOYSA-N 1 0 370.409 2.137 20 5 FEBDRO O=C(NCCCCC[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000111920000 543425672 /nfs/dbraw/zinc/42/56/72/543425672.db2.gz ZVDINEWGIMVMLX-UHFFFAOYSA-N 1 0 362.430 2.306 20 5 FEBDRO COCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112354122 543443503 /nfs/dbraw/zinc/44/35/03/543443503.db2.gz WNVQELVPLYEXIQ-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000116372435 543607743 /nfs/dbraw/zinc/60/77/43/543607743.db2.gz YJEZFHHSSRSPNN-AWEZNQCLSA-N 1 0 361.439 2.379 20 5 FEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000247483884 549341188 /nfs/dbraw/zinc/34/11/88/549341188.db2.gz KKKAENQIWAEOMM-PBHICJAKSA-N 1 0 362.430 2.114 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000120056303 543674725 /nfs/dbraw/zinc/67/47/25/543674725.db2.gz WXNVASKAKQMTPS-UHFFFAOYSA-N 1 0 363.462 2.361 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000123845580 543786804 /nfs/dbraw/zinc/78/68/04/543786804.db2.gz LGILFBLXOZIYES-UHFFFAOYSA-N 1 0 351.447 2.264 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1 ZINC000124315671 543813561 /nfs/dbraw/zinc/81/35/61/543813561.db2.gz OMTZUVWARIJSHX-CYBMUJFWSA-N 1 0 361.402 2.149 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024662 543856892 /nfs/dbraw/zinc/85/68/92/543856892.db2.gz JOCKNMWYSHTQFQ-RKDXNWHRSA-N 1 0 367.349 2.162 20 5 FEBDRO O=[N+]([O-])c1cnn(CCN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127550754 543999875 /nfs/dbraw/zinc/99/98/75/543999875.db2.gz NIASDCTUBDYBGG-OAHLLOKOSA-N 1 0 368.340 2.466 20 5 FEBDRO CCN(CC)C(=O)C[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129222356 544098582 /nfs/dbraw/zinc/09/85/82/544098582.db2.gz NOSHYHKBYCXZLJ-JXMROGBWSA-N 1 0 374.485 2.484 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130312365 544146190 /nfs/dbraw/zinc/14/61/90/544146190.db2.gz GEIBJIYLBIFAJJ-UHFFFAOYSA-N 1 0 358.354 2.329 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131400943 544188850 /nfs/dbraw/zinc/18/88/50/544188850.db2.gz RERBFJHNCDTSBI-SECBINFHSA-N 1 0 352.309 2.263 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131665651 544200640 /nfs/dbraw/zinc/20/06/40/544200640.db2.gz HBQPEWXRGVQPMJ-OAHLLOKOSA-N 1 0 367.471 2.040 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](COC)Cc1ccccc1 ZINC000132372785 544228900 /nfs/dbraw/zinc/22/89/00/544228900.db2.gz MKJIONUJSQIGPI-GOSISDBHSA-N 1 0 359.426 2.336 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000134914019 544326981 /nfs/dbraw/zinc/32/69/81/544326981.db2.gz GZQVPKQFSQVAIT-GDBMZVCRSA-N 1 0 371.441 2.306 20 5 FEBDRO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452664 544347510 /nfs/dbraw/zinc/34/75/10/544347510.db2.gz GOCCZKMUQRWVGK-HOTGVXAUSA-N 1 0 358.398 2.070 20 5 FEBDRO CC[NH+](CC)CCn1c(NC(=O)c2cc([N+](=O)[O-])n[nH]2)nc2ccccc21 ZINC000140247156 544407636 /nfs/dbraw/zinc/40/76/36/544407636.db2.gz HOUDHSZKVUDNDO-UHFFFAOYSA-N 1 0 371.401 2.262 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141443360 544412856 /nfs/dbraw/zinc/41/28/56/544412856.db2.gz MCFFARQEAQXONM-MRXNPFEDSA-N 1 0 355.398 2.091 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000136874716 544380517 /nfs/dbraw/zinc/38/05/17/544380517.db2.gz PVCHHOSZZPTTJQ-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO COC(=O)CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000143850796 544425277 /nfs/dbraw/zinc/42/52/77/544425277.db2.gz PESGBWXUZZVQMM-UHFFFAOYSA-N 1 0 351.403 2.363 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152505165 544662836 /nfs/dbraw/zinc/66/28/36/544662836.db2.gz MFQKPKORXFXCLV-UONOGXRCSA-N 1 0 364.446 2.204 20 5 FEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[N@H+](C)C1 ZINC000153443996 544776469 /nfs/dbraw/zinc/77/64/69/544776469.db2.gz QQFRPTLHLLRWMR-INIZCTEOSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000153848672 544831596 /nfs/dbraw/zinc/83/15/96/544831596.db2.gz CUPOFELTEZACAP-OAHLLOKOSA-N 1 0 350.419 2.262 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153981293 544848415 /nfs/dbraw/zinc/84/84/15/544848415.db2.gz ZEKPSWUBNLHITJ-ZBFHGGJFSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1occc1C(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153937709 544842833 /nfs/dbraw/zinc/84/28/33/544842833.db2.gz IJOQRJJJCVZILQ-GOSISDBHSA-N 1 0 373.409 2.424 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1F ZINC000154588482 544924980 /nfs/dbraw/zinc/92/49/80/544924980.db2.gz AFSAVLLOHQLWKN-UHFFFAOYSA-N 1 0 361.373 2.491 20 5 FEBDRO COC(=O)c1cc(C)nc(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000553067884 674236430 /nfs/dbraw/zinc/23/64/30/674236430.db2.gz LGVLRURXBXNJRD-CYBMUJFWSA-N 1 0 350.419 2.395 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182136183 327762562 /nfs/dbraw/zinc/76/25/62/327762562.db2.gz VKKQIHQXCUFTLF-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000183646917 327828390 /nfs/dbraw/zinc/82/83/90/327828390.db2.gz QBKPZEPBJLMTEN-UHFFFAOYSA-N 1 0 363.418 2.099 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183696517 327831107 /nfs/dbraw/zinc/83/11/07/327831107.db2.gz RMSJMRANHCJFPI-OAHLLOKOSA-N 1 0 353.419 2.319 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000184500920 327870530 /nfs/dbraw/zinc/87/05/30/327870530.db2.gz KKFOCNOYNLIWFT-OAHLLOKOSA-N 1 0 357.476 2.381 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000186342282 327958033 /nfs/dbraw/zinc/95/80/33/327958033.db2.gz SXUAROPUHISKBZ-UHFFFAOYSA-N 1 0 372.347 2.452 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188229185 328074474 /nfs/dbraw/zinc/07/44/74/328074474.db2.gz OJVJNYMPFVQLQH-UONOGXRCSA-N 1 0 355.460 2.135 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000188261759 328076424 /nfs/dbraw/zinc/07/64/24/328076424.db2.gz OKRJFQDVVAMGIX-UHFFFAOYSA-N 1 0 359.423 2.230 20 5 FEBDRO COC(=O)c1ccc(OCCCN2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000188265997 328076825 /nfs/dbraw/zinc/07/68/25/328076825.db2.gz WDSXLUUPDDQDGB-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000188825507 328112745 /nfs/dbraw/zinc/11/27/45/328112745.db2.gz GRDNTSXRAKOVIG-HNNXBMFYSA-N 1 0 350.419 2.382 20 5 FEBDRO COCCO[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000188823662 328112845 /nfs/dbraw/zinc/11/28/45/328112845.db2.gz QKBHXWTYDKBPFO-KRWDZBQOSA-N 1 0 360.414 2.233 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189131598 328130390 /nfs/dbraw/zinc/13/03/90/328130390.db2.gz WHEXRGJIUOEINX-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189410959 328146300 /nfs/dbraw/zinc/14/63/00/328146300.db2.gz HXICWQQPHWPLJG-HNNXBMFYSA-N 1 0 351.447 2.141 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000189867474 328172350 /nfs/dbraw/zinc/17/23/50/328172350.db2.gz BMWPHSQQMHWLHI-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000190022862 328182918 /nfs/dbraw/zinc/18/29/18/328182918.db2.gz FPVNIZIAMSVSEV-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191257316 328256967 /nfs/dbraw/zinc/25/69/67/328256967.db2.gz ASYRGLOQASMEGZ-DYVFJYSZSA-N 1 0 370.409 2.341 20 5 FEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191639413 328275183 /nfs/dbraw/zinc/27/51/83/328275183.db2.gz JTZPXSCDFIPYLA-IBGZPJMESA-N 1 0 361.442 2.357 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191656739 328275984 /nfs/dbraw/zinc/27/59/84/328275984.db2.gz ZCKVDDSCLHEDLT-GOSISDBHSA-N 1 0 365.430 2.415 20 5 FEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191665331 328276516 /nfs/dbraw/zinc/27/65/16/328276516.db2.gz KDTRXIGZLUGBJS-WMZOPIPTSA-N 1 0 352.431 2.208 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000192758084 328337868 /nfs/dbraw/zinc/33/78/68/328337868.db2.gz VFTUPZUOAIJLNU-MRXNPFEDSA-N 1 0 359.430 2.298 20 5 FEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193265102 328365951 /nfs/dbraw/zinc/36/59/51/328365951.db2.gz MLTMWYZAXIOSDB-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000193631752 328386907 /nfs/dbraw/zinc/38/69/07/328386907.db2.gz JJHFQJUTLZNHLB-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193640398 328387196 /nfs/dbraw/zinc/38/71/96/328387196.db2.gz MDQHPWFJSLBVOY-SDDRHHMPSA-N 1 0 352.822 2.069 20 5 FEBDRO COc1cc(OCC(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000195091225 328455847 /nfs/dbraw/zinc/45/58/47/328455847.db2.gz JRVJEGCIEBLYBY-UHFFFAOYSA-N 1 0 365.430 2.361 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000041604670 324511259 /nfs/dbraw/zinc/51/12/59/324511259.db2.gz SEUQQXWSDBYTNH-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH2+]C)CC2)cc1OC ZINC000237049873 328502599 /nfs/dbraw/zinc/50/25/99/328502599.db2.gz BTXFNRADUVQMPE-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237353460 328513308 /nfs/dbraw/zinc/51/33/08/328513308.db2.gz ZNXJCJLRHAHUSI-ZDUSSCGKSA-N 1 0 357.414 2.454 20 5 FEBDRO C[C@@]([NH3+])(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237364215 328514023 /nfs/dbraw/zinc/51/40/23/328514023.db2.gz TTYULLLPMMOGOB-IBGZPJMESA-N 1 0 354.410 2.118 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035789 325156052 /nfs/dbraw/zinc/15/60/52/325156052.db2.gz CQAYPYNDWHXIOE-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000081337219 325170459 /nfs/dbraw/zinc/17/04/59/325170459.db2.gz DPRPVUWYGKPDPY-ZDUSSCGKSA-N 1 0 372.425 2.240 20 5 FEBDRO [NH3+][C@@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237878496 328532613 /nfs/dbraw/zinc/53/26/13/328532613.db2.gz NTDJPBTXPLKKQM-ZBFHGGJFSA-N 1 0 355.398 2.093 20 5 FEBDRO CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000090526635 325362132 /nfs/dbraw/zinc/36/21/32/325362132.db2.gz LSRIERXWFMEVNG-UHFFFAOYSA-N 1 0 370.453 2.353 20 5 FEBDRO CCC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796196 325368122 /nfs/dbraw/zinc/36/81/22/325368122.db2.gz WHSGQMKZEFQUPS-CZUORRHYSA-N 1 0 355.460 2.307 20 5 FEBDRO Cc1cccc(C)c1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000091058271 325371950 /nfs/dbraw/zinc/37/19/50/325371950.db2.gz DLSZHWXKRNBJCU-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO Cc1nn(CCC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000107529588 325629655 /nfs/dbraw/zinc/62/96/55/325629655.db2.gz DJLJGFHMLALAJG-MRXNPFEDSA-N 1 0 363.462 2.275 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000109275622 325663452 /nfs/dbraw/zinc/66/34/52/325663452.db2.gz BKXQDJKGNVTTSK-LBPRGKRZSA-N 1 0 359.430 2.496 20 5 FEBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000109987490 325681489 /nfs/dbraw/zinc/68/14/89/325681489.db2.gz OLEILMHNTIQBDU-CYBMUJFWSA-N 1 0 372.425 2.287 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000117806048 326071704 /nfs/dbraw/zinc/07/17/04/326071704.db2.gz RJPSRNHCLJJGDJ-UHFFFAOYSA-N 1 0 355.822 2.018 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000118099133 326081562 /nfs/dbraw/zinc/08/15/62/326081562.db2.gz ROZAWFVMOVCILO-INIZCTEOSA-N 1 0 364.446 2.324 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000119060700 326123406 /nfs/dbraw/zinc/12/34/06/326123406.db2.gz ZZYUIGZLZPDLSI-AWEZNQCLSA-N 1 0 370.475 2.165 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000119446075 326163351 /nfs/dbraw/zinc/16/33/51/326163351.db2.gz CMZZOSWLZAMXMP-CYBMUJFWSA-N 1 0 363.414 2.089 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119841623 326204200 /nfs/dbraw/zinc/20/42/00/326204200.db2.gz QIMKUMPJAKWJGH-SFHVURJKSA-N 1 0 359.426 2.123 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000120204700 326240616 /nfs/dbraw/zinc/24/06/16/326240616.db2.gz KJGUWNAWVLWKIH-AWEZNQCLSA-N 1 0 355.460 2.241 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000121354697 326332269 /nfs/dbraw/zinc/33/22/69/326332269.db2.gz FIKVMFOQROVYPD-KBPBESRZSA-N 1 0 372.425 2.372 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000121765974 326365161 /nfs/dbraw/zinc/36/51/61/326365161.db2.gz FTRGAXCRYINGHZ-CYBMUJFWSA-N 1 0 360.414 2.009 20 5 FEBDRO Cc1sc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000123249698 326425152 /nfs/dbraw/zinc/42/51/52/326425152.db2.gz QQILTBZVEQIBEN-NSHDSACASA-N 1 0 361.489 2.365 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153477532 326733952 /nfs/dbraw/zinc/73/39/52/326733952.db2.gz DNVRQGIJIWJCFN-UHFFFAOYSA-N 1 0 360.414 2.138 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000154068102 326750410 /nfs/dbraw/zinc/75/04/10/326750410.db2.gz JOBCEPOKNGTACZ-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1F ZINC000154599562 326764328 /nfs/dbraw/zinc/76/43/28/326764328.db2.gz XHTXQLXRMBBHFI-UHFFFAOYSA-N 1 0 364.352 2.447 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000158155827 326886721 /nfs/dbraw/zinc/88/67/21/326886721.db2.gz JUIUMVXMDUKLNP-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159231364 326923614 /nfs/dbraw/zinc/92/36/14/326923614.db2.gz ALOZAWJFCOGWCM-INIZCTEOSA-N 1 0 353.806 2.229 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000162589247 327029214 /nfs/dbraw/zinc/02/92/14/327029214.db2.gz RPWFWPBEEDOXMU-UHFFFAOYSA-N 1 0 353.467 2.212 20 5 FEBDRO C[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000163436673 327051570 /nfs/dbraw/zinc/05/15/70/327051570.db2.gz FTCNWZZEQXTNPV-IBGZPJMESA-N 1 0 371.441 2.352 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000166273950 327081218 /nfs/dbraw/zinc/08/12/18/327081218.db2.gz QLJZEDWJPLADOB-UHFFFAOYSA-N 1 0 355.460 2.337 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000171796700 327161995 /nfs/dbraw/zinc/16/19/95/327161995.db2.gz YKWMEHHXBQNAIA-UHFFFAOYSA-N 1 0 369.425 2.014 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172581954 327209523 /nfs/dbraw/zinc/20/95/23/327209523.db2.gz KXUMEFADJAPZGQ-SFHVURJKSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172667453 327214004 /nfs/dbraw/zinc/21/40/04/327214004.db2.gz IPSPZBXDHKCVMY-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472792 327259694 /nfs/dbraw/zinc/25/96/94/327259694.db2.gz MHUNFQXDKMMYRM-DOTOQJQBSA-N 1 0 372.425 2.224 20 5 FEBDRO COc1cccc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173594479 327269781 /nfs/dbraw/zinc/26/97/81/327269781.db2.gz MOSKDQVMRKOPIB-QGZVFWFLSA-N 1 0 360.414 2.040 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173669252 327275246 /nfs/dbraw/zinc/27/52/46/327275246.db2.gz DQRFIPBBYSHHSH-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000173822252 327286492 /nfs/dbraw/zinc/28/64/92/327286492.db2.gz VBKCXOUPLWQIAW-WDEREUQCSA-N 1 0 359.835 2.105 20 5 FEBDRO CCc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000174099315 327306098 /nfs/dbraw/zinc/30/60/98/327306098.db2.gz AOEBKEKMLJXZHH-UHFFFAOYSA-N 1 0 361.442 2.342 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000174142686 327308595 /nfs/dbraw/zinc/30/85/95/327308595.db2.gz QLSACOCVDONMHI-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CCc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000174255453 327315605 /nfs/dbraw/zinc/31/56/05/327315605.db2.gz YQOOYAUHRHEWJU-AWEZNQCLSA-N 1 0 361.442 2.388 20 5 FEBDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715900 327345287 /nfs/dbraw/zinc/34/52/87/327345287.db2.gz AKAZAJLJBZTWKO-CYBMUJFWSA-N 1 0 358.320 2.303 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175149307 327376985 /nfs/dbraw/zinc/37/69/85/327376985.db2.gz SYNGDZYEKMEROM-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000175280273 327384370 /nfs/dbraw/zinc/38/43/70/327384370.db2.gz IBWGYLOABXOEAL-KGLIPLIRSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176691020 327470349 /nfs/dbraw/zinc/47/03/49/327470349.db2.gz CYSJGSKASQASRK-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177003233 327489859 /nfs/dbraw/zinc/48/98/59/327489859.db2.gz LBKMSWLEPPMTBN-UHFFFAOYSA-N 1 0 374.441 2.447 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000177499432 327526699 /nfs/dbraw/zinc/52/66/99/327526699.db2.gz KDBFWSYALHOQBC-WMLDXEAASA-N 1 0 357.414 2.383 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000248435763 328718484 /nfs/dbraw/zinc/71/84/84/328718484.db2.gz AIWVWQSOLWQKNY-DLBZAZTESA-N 1 0 363.458 2.285 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]12 ZINC000248611346 328729628 /nfs/dbraw/zinc/72/96/28/328729628.db2.gz KWTKUUJCTXTFDB-RRQGHBQHSA-N 1 0 358.442 2.394 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000253159111 328796211 /nfs/dbraw/zinc/79/62/11/328796211.db2.gz QYCMHZNKDAJQPT-UFGOTCBOSA-N 1 0 368.821 2.209 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000261671399 328810487 /nfs/dbraw/zinc/81/04/87/328810487.db2.gz HCMLJTNDRSWWRR-NSHDSACASA-N 1 0 361.851 2.449 20 5 FEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261680036 328811020 /nfs/dbraw/zinc/81/10/20/328811020.db2.gz HTPVDLYALMODTK-SFYZADRCSA-N 1 0 360.183 2.306 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000261690091 328811910 /nfs/dbraw/zinc/81/19/10/328811910.db2.gz IWLCBXNSHYZMOP-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261747400 328816292 /nfs/dbraw/zinc/81/62/92/328816292.db2.gz OPOIHWLRAZOCDV-YMTOWFKASA-N 1 0 361.851 2.305 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262392435 328863057 /nfs/dbraw/zinc/86/30/57/328863057.db2.gz OJVJNOHDMFEQRM-RHSMWYFYSA-N 1 0 358.373 2.192 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262649933 328878853 /nfs/dbraw/zinc/87/88/53/328878853.db2.gz UWCBWSWPDPYGHS-NEPJUHHUSA-N 1 0 368.231 2.253 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262836617 328893511 /nfs/dbraw/zinc/89/35/11/328893511.db2.gz WJAONUFFWURRSW-NEPJUHHUSA-N 1 0 353.444 2.045 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265922103 329173118 /nfs/dbraw/zinc/17/31/18/329173118.db2.gz CGVOWKZEDYSLBV-CYBMUJFWSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980822 329178931 /nfs/dbraw/zinc/17/89/31/329178931.db2.gz YXSQRJHKRGRKHO-OLZOCXBDSA-N 1 0 365.430 2.462 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266158390 329195971 /nfs/dbraw/zinc/19/59/71/329195971.db2.gz ONVRBDWCLNGTDX-OAHLLOKOSA-N 1 0 363.414 2.119 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266207031 329200588 /nfs/dbraw/zinc/20/05/88/329200588.db2.gz PMTFKOATKGDHED-YPMHNXCESA-N 1 0 359.423 2.085 20 5 FEBDRO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266212418 329200999 /nfs/dbraw/zinc/20/09/99/329200999.db2.gz KAANXZSHALRLLR-HNNXBMFYSA-N 1 0 361.442 2.053 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000266348198 329213649 /nfs/dbraw/zinc/21/36/49/329213649.db2.gz JBSFPERJLMKFSM-AWEZNQCLSA-N 1 0 370.400 2.412 20 5 FEBDRO COc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000266441593 329223292 /nfs/dbraw/zinc/22/32/92/329223292.db2.gz AOSQDVSAZBOWST-GOOCMWNKSA-N 1 0 362.430 2.418 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266666767 329247627 /nfs/dbraw/zinc/24/76/27/329247627.db2.gz TWEJBMUTVNPIHA-UHFFFAOYSA-N 1 0 353.444 2.373 20 5 FEBDRO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269155742 329491286 /nfs/dbraw/zinc/49/12/86/329491286.db2.gz UZJNQPXVTBMPRE-NSHDSACASA-N 1 0 358.354 2.084 20 5 FEBDRO [NH3+][C@H]1CC[C@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269213667 329496979 /nfs/dbraw/zinc/49/69/79/329496979.db2.gz SLNBEUBZINVKLN-ONGXEEELSA-N 1 0 360.336 2.269 20 5 FEBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269281437 329503726 /nfs/dbraw/zinc/50/37/26/329503726.db2.gz QPXLNCSJYMAVIX-XVKPBYJWSA-N 1 0 360.183 2.354 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269362269 329511393 /nfs/dbraw/zinc/51/13/93/329511393.db2.gz PHDAYLUUSZYXGG-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1=O ZINC000270223090 329583276 /nfs/dbraw/zinc/58/32/76/329583276.db2.gz MYQRFQKEWANQEM-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO COc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270563788 329610606 /nfs/dbraw/zinc/61/06/06/329610606.db2.gz LXXJLSXLUHUXSE-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO CS[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1[NH+](C)C ZINC000270671316 329620836 /nfs/dbraw/zinc/62/08/36/329620836.db2.gz RMWOIASFIHTCEY-ZIAGYGMSSA-N 1 0 363.443 2.122 20 5 FEBDRO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000272421089 329779806 /nfs/dbraw/zinc/77/98/06/329779806.db2.gz DXOJORYBBFLDTB-UHFFFAOYSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862891 329818944 /nfs/dbraw/zinc/81/89/44/329818944.db2.gz SEWVSVBIEFOTJJ-UGSOOPFHSA-N 1 0 374.441 2.277 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000272970230 329827139 /nfs/dbraw/zinc/82/71/39/329827139.db2.gz CAYNZLSQBPLOBJ-HNNXBMFYSA-N 1 0 350.346 2.445 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273647523 329881448 /nfs/dbraw/zinc/88/14/48/329881448.db2.gz VVTLKQRWTUYFCS-KURKYZTESA-N 1 0 366.414 2.428 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853171 330096493 /nfs/dbraw/zinc/09/64/93/330096493.db2.gz SCQJYSLQMWQNPX-ZIAGYGMSSA-N 1 0 364.446 2.142 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000276344737 330143105 /nfs/dbraw/zinc/14/31/05/330143105.db2.gz SVDBOHSSPUIQEM-CQSZACIVSA-N 1 0 367.471 2.453 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000276386990 330147470 /nfs/dbraw/zinc/14/74/70/330147470.db2.gz FBTWOCBHWVETCT-UHFFFAOYSA-N 1 0 363.414 2.121 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000299697074 330199257 /nfs/dbraw/zinc/19/92/57/330199257.db2.gz OLVLWHILIAXMON-KBPBESRZSA-N 1 0 362.430 2.091 20 5 FEBDRO Cn1cc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929944 330252584 /nfs/dbraw/zinc/25/25/84/330252584.db2.gz BBCVCFHXFMVRBD-ZBFHGGJFSA-N 1 0 369.425 2.133 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000268780653 518023783 /nfs/dbraw/zinc/02/37/83/518023783.db2.gz CFLIGYCGJUZUNU-LLVKDONJSA-N 1 0 351.790 2.485 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1SC ZINC000158962346 545909279 /nfs/dbraw/zinc/90/92/79/545909279.db2.gz RTKMKQFPYLWDCU-MRXNPFEDSA-N 1 0 351.428 2.151 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000478491383 561168282 /nfs/dbraw/zinc/16/82/82/561168282.db2.gz RTPDZXIVLWSDND-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000480011428 561201300 /nfs/dbraw/zinc/20/13/00/561201300.db2.gz GQHCRLYCEHXFHE-SFHVURJKSA-N 1 0 359.430 2.169 20 5 FEBDRO CSc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000480288107 561206446 /nfs/dbraw/zinc/20/64/46/561206446.db2.gz HHXIRGBEUABJOJ-HNNXBMFYSA-N 1 0 355.485 2.484 20 5 FEBDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000176315769 546430604 /nfs/dbraw/zinc/43/06/04/546430604.db2.gz JMULHQJPIMRFOV-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000480513089 561211078 /nfs/dbraw/zinc/21/10/78/561211078.db2.gz ORKKFPKQITYAMB-CQSZACIVSA-N 1 0 370.475 2.309 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000177521441 546636417 /nfs/dbraw/zinc/63/64/17/546636417.db2.gz WIJPAQUVMRXDGJ-BBRMVZONSA-N 1 0 357.414 2.383 20 5 FEBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481166780 561226894 /nfs/dbraw/zinc/22/68/94/561226894.db2.gz KIHZCAORZQCCHI-ZDUSSCGKSA-N 1 0 362.430 2.160 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178307653 546773129 /nfs/dbraw/zinc/77/31/29/546773129.db2.gz GJSCUXJNEYMIQI-CVEARBPZSA-N 1 0 369.425 2.337 20 5 FEBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979191 546882826 /nfs/dbraw/zinc/88/28/26/546882826.db2.gz VVTPSQYFNIDWQL-QMTHXVAHSA-N 1 0 361.851 2.434 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000481978431 561246654 /nfs/dbraw/zinc/24/66/54/561246654.db2.gz QKVRCJPTCHWEOD-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179850959 547021055 /nfs/dbraw/zinc/02/10/55/547021055.db2.gz YHKGKYJAYLLKRR-LBPRGKRZSA-N 1 0 351.403 2.337 20 5 FEBDRO CS(=O)(=O)NCCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180035100 547042126 /nfs/dbraw/zinc/04/21/26/547042126.db2.gz QSQGATLKNFBNMP-KRWDZBQOSA-N 1 0 363.439 2.213 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180103853 547052592 /nfs/dbraw/zinc/05/25/92/547052592.db2.gz LSRYTQRVKXNOCN-XJKSGUPXSA-N 1 0 357.414 2.446 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180437268 547108143 /nfs/dbraw/zinc/10/81/43/547108143.db2.gz PRPVXVMRGQTTTG-OAHLLOKOSA-N 1 0 368.437 2.424 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000483207419 561270432 /nfs/dbraw/zinc/27/04/32/561270432.db2.gz ZQSXLDRNZFKYMR-UHFFFAOYSA-N 1 0 369.381 2.462 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]CCC2CCCCC2)c1 ZINC000483252186 561271851 /nfs/dbraw/zinc/27/18/51/561271851.db2.gz VVGPXLKZCUJUGY-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181547841 547332359 /nfs/dbraw/zinc/33/23/59/547332359.db2.gz AQXJJXWIRVSROR-XJKSGUPXSA-N 1 0 355.460 2.307 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000181641170 547350723 /nfs/dbraw/zinc/35/07/23/547350723.db2.gz AOMHKWQGQWNCPD-FZMZJTMJSA-N 1 0 370.452 2.142 20 5 FEBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190409 547450444 /nfs/dbraw/zinc/45/04/44/547450444.db2.gz XVVVFVFXWAOSJC-HNNXBMFYSA-N 1 0 364.373 2.484 20 5 FEBDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000182385908 547482993 /nfs/dbraw/zinc/48/29/93/547482993.db2.gz VYSSEWNIFVQVIL-HNNXBMFYSA-N 1 0 359.382 2.255 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)nc1 ZINC000182524623 547508221 /nfs/dbraw/zinc/50/82/21/547508221.db2.gz LNWSSGLSTMUDCD-WMZOPIPTSA-N 1 0 356.426 2.470 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182579246 547516357 /nfs/dbraw/zinc/51/63/57/547516357.db2.gz AJVQFWXRPLIBKZ-CYBMUJFWSA-N 1 0 363.414 2.421 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000182960664 547579621 /nfs/dbraw/zinc/57/96/21/547579621.db2.gz MSAUMQCBPQJKBF-AAEUAGOBSA-N 1 0 359.423 2.003 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000183114495 547603893 /nfs/dbraw/zinc/60/38/93/547603893.db2.gz ZQQJLZRADNALAQ-UHFFFAOYSA-N 1 0 366.374 2.082 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000183254660 547627911 /nfs/dbraw/zinc/62/79/11/547627911.db2.gz YAVAPSUWJUVMHC-UHFFFAOYSA-N 1 0 360.458 2.033 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000183404513 547651876 /nfs/dbraw/zinc/65/18/76/547651876.db2.gz MCPLBCWZHZAJDS-OAHLLOKOSA-N 1 0 361.423 2.153 20 5 FEBDRO NS(=O)(=O)c1cccc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000183907909 547737339 /nfs/dbraw/zinc/73/73/39/547737339.db2.gz MCGYZKUKPFOAFO-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000184134818 547775395 /nfs/dbraw/zinc/77/53/95/547775395.db2.gz XOPBOPPIULCCHA-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000184567627 547847247 /nfs/dbraw/zinc/84/72/47/547847247.db2.gz HVOJZKAGMKFTOM-IBGZPJMESA-N 1 0 370.453 2.446 20 5 FEBDRO C[C@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184914096 547899645 /nfs/dbraw/zinc/89/96/45/547899645.db2.gz FTAFYWRLRYWXIQ-MJBXVCDLSA-N 1 0 367.421 2.453 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000185097766 547933028 /nfs/dbraw/zinc/93/30/28/547933028.db2.gz MXJSMLXXSBSGCR-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000185112822 547935086 /nfs/dbraw/zinc/93/50/86/547935086.db2.gz UEHFHDIDCAGCPL-RAIGVLPGSA-N 1 0 353.806 2.213 20 5 FEBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185889103 548053240 /nfs/dbraw/zinc/05/32/40/548053240.db2.gz NWOHGRGJZAQAFJ-UHFFFAOYSA-N 1 0 358.398 2.336 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000185896742 548054249 /nfs/dbraw/zinc/05/42/49/548054249.db2.gz WCAFRFQWLNGURX-UHFFFAOYSA-N 1 0 370.409 2.386 20 5 FEBDRO C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000485701000 561326132 /nfs/dbraw/zinc/32/61/32/561326132.db2.gz HSELMISVPIYNAU-NSHDSACASA-N 1 0 351.403 2.196 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186250195 548106662 /nfs/dbraw/zinc/10/66/62/548106662.db2.gz ITNQMWBNDVSFPK-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000186752968 548185582 /nfs/dbraw/zinc/18/55/82/548185582.db2.gz IPRBBLYBESLMCE-ZDUSSCGKSA-N 1 0 350.419 2.212 20 5 FEBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000486633735 561352846 /nfs/dbraw/zinc/35/28/46/561352846.db2.gz VGOAVQCEBIPGAQ-ZDUSSCGKSA-N 1 0 361.851 2.209 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194800352 548533293 /nfs/dbraw/zinc/53/32/93/548533293.db2.gz TUICOYIPAMKFHV-UHFFFAOYSA-N 1 0 357.414 2.012 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[NH+]2CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486873959 561358761 /nfs/dbraw/zinc/35/87/61/561358761.db2.gz VNHBSCWLLFGEDM-UHFFFAOYSA-N 1 0 364.402 2.297 20 5 FEBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000195356115 548630321 /nfs/dbraw/zinc/63/03/21/548630321.db2.gz NXDKMAWZPIWSRD-UHFFFAOYSA-N 1 0 358.442 2.118 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000237831086 548856827 /nfs/dbraw/zinc/85/68/27/548856827.db2.gz MJUQOBFNHWOVIF-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000237942699 548867158 /nfs/dbraw/zinc/86/71/58/548867158.db2.gz TYCRJEKBPLDQRO-UHFFFAOYSA-N 1 0 374.422 2.144 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000245439954 548919819 /nfs/dbraw/zinc/91/98/19/548919819.db2.gz UBCJNIZAXKFXQY-QGZVFWFLSA-N 1 0 363.458 2.285 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000245601233 548955215 /nfs/dbraw/zinc/95/52/15/548955215.db2.gz VRJWSNUPQXQUFR-HOTGVXAUSA-N 1 0 373.384 2.099 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245789684 548994266 /nfs/dbraw/zinc/99/42/66/548994266.db2.gz NNJIRRLODZIWLL-HZPDHXFCSA-N 1 0 369.425 2.445 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245840400 549001923 /nfs/dbraw/zinc/00/19/23/549001923.db2.gz CIEGBDOEMZYYAN-KKUMJFAQSA-N 1 0 364.446 2.061 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246054303 549042180 /nfs/dbraw/zinc/04/21/80/549042180.db2.gz XQGUWSZBQZVXJT-SMDDNHRTSA-N 1 0 363.443 2.203 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000246155853 549064796 /nfs/dbraw/zinc/06/47/96/549064796.db2.gz LGKKFYTUJMGATM-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246177966 549070236 /nfs/dbraw/zinc/07/02/36/549070236.db2.gz GVIAUUMTGUSRAI-IUODEOHRSA-N 1 0 350.419 2.085 20 5 FEBDRO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000246753051 549204464 /nfs/dbraw/zinc/20/44/64/549204464.db2.gz HAKUHPYIFJHRKE-RYUDHWBXSA-N 1 0 355.822 2.165 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488904767 561399201 /nfs/dbraw/zinc/39/92/01/561399201.db2.gz ZNDDSYWDJXNWHH-UHFFFAOYSA-N 1 0 361.446 2.443 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000247076131 549278436 /nfs/dbraw/zinc/27/84/36/549278436.db2.gz YVARICPIZZZAMI-CABCVRRESA-N 1 0 361.398 2.080 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000247210789 549300124 /nfs/dbraw/zinc/30/01/24/549300124.db2.gz WYANPQNHHCETDT-DGCLKSJQSA-N 1 0 373.862 2.353 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000248740778 549494223 /nfs/dbraw/zinc/49/42/23/549494223.db2.gz DIMFEYNWFSOPRS-UONOGXRCSA-N 1 0 362.430 2.422 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000489602459 561415303 /nfs/dbraw/zinc/41/53/03/561415303.db2.gz JBHZOUWLSZXXEJ-ZDUSSCGKSA-N 1 0 352.460 2.312 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249431393 549591549 /nfs/dbraw/zinc/59/15/49/549591549.db2.gz ITIWKHBXDDKQGP-KGLIPLIRSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000253358744 549683739 /nfs/dbraw/zinc/68/37/39/549683739.db2.gz RTLDUQBARJXQEQ-TZMCWYRMSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253544399 549692733 /nfs/dbraw/zinc/69/27/33/549692733.db2.gz RCXMFGWHDWOUFU-BDJLRTHQSA-N 1 0 358.398 2.261 20 5 FEBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000261608438 549734221 /nfs/dbraw/zinc/73/42/21/549734221.db2.gz AWXMUPDKILWBRY-GFCCVEGCSA-N 1 0 368.242 2.261 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000261869863 549764209 /nfs/dbraw/zinc/76/42/09/549764209.db2.gz ZOWPJBITQNMCOM-HWKANZROSA-N 1 0 368.441 2.182 20 5 FEBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000262646084 549835036 /nfs/dbraw/zinc/83/50/36/549835036.db2.gz KAZSWADFHZNVBO-SFHVURJKSA-N 1 0 354.410 2.252 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000490626532 561436255 /nfs/dbraw/zinc/43/62/55/561436255.db2.gz JRDGCXDQOJKDJS-ZDUSSCGKSA-N 1 0 363.414 2.233 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000263889609 549951401 /nfs/dbraw/zinc/95/14/01/549951401.db2.gz RWKAELGYQOYMSK-UHFFFAOYSA-N 1 0 374.363 2.214 20 5 FEBDRO CSC[C@@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268974380 550139269 /nfs/dbraw/zinc/13/92/69/550139269.db2.gz OLWZLNMUGRWWOH-JTQLQIEISA-N 1 0 353.400 2.089 20 5 FEBDRO CCOc1cc(CN2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492583453 561451996 /nfs/dbraw/zinc/45/19/96/561451996.db2.gz OUUYMCAMKQPOID-AWEZNQCLSA-N 1 0 365.430 2.063 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147484 550160626 /nfs/dbraw/zinc/16/06/26/550160626.db2.gz QBLHMMYQYJMXBQ-AAEUAGOBSA-N 1 0 373.862 2.353 20 5 FEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000269207263 550167760 /nfs/dbraw/zinc/16/77/60/550167760.db2.gz OKMVBQICFJVTPK-NXEZZACHSA-N 1 0 356.220 2.475 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000269523023 550203645 /nfs/dbraw/zinc/20/36/45/550203645.db2.gz QQIBACANISTMQA-UHFFFAOYSA-N 1 0 371.441 2.270 20 5 FEBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000270340345 550263608 /nfs/dbraw/zinc/26/36/08/550263608.db2.gz DTYSLTAQGJHJCW-QWRGUYRKSA-N 1 0 361.265 2.234 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270361012 550265195 /nfs/dbraw/zinc/26/51/95/550265195.db2.gz IYRXGQUOBZSBBG-UHFFFAOYSA-N 1 0 363.458 2.178 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000493953909 561459795 /nfs/dbraw/zinc/45/97/95/561459795.db2.gz XTJLKLYAKNEZEQ-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000270773074 550305510 /nfs/dbraw/zinc/30/55/10/550305510.db2.gz FFOKXRAEHFILIA-LBPRGKRZSA-N 1 0 355.460 2.403 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000270986165 550328915 /nfs/dbraw/zinc/32/89/15/550328915.db2.gz JZZPNYKDJTVFAA-GFCCVEGCSA-N 1 0 363.414 2.184 20 5 FEBDRO COc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390684 /nfs/dbraw/zinc/39/06/84/550390684.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 1 0 350.463 2.061 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000272177245 550427541 /nfs/dbraw/zinc/42/75/41/550427541.db2.gz JNODGUPJOCATIK-KDOFPFPSSA-N 1 0 358.442 2.361 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497585 550452992 /nfs/dbraw/zinc/45/29/92/550452992.db2.gz GHPSLKJQRPMXPD-FSPWUOQZSA-N 1 0 355.442 2.490 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000272550203 550457395 /nfs/dbraw/zinc/45/73/95/550457395.db2.gz CYJCTYSUUQNRHX-HNAYVOBHSA-N 1 0 372.469 2.364 20 5 FEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000272646644 550462958 /nfs/dbraw/zinc/46/29/58/550462958.db2.gz YKEOPZOODRWTEJ-JGVFFNPUSA-N 1 0 360.183 2.319 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272698255 550465638 /nfs/dbraw/zinc/46/56/38/550465638.db2.gz YEYNZGRDEPRWBH-KBXCAEBGSA-N 1 0 358.442 2.361 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272735892 550467936 /nfs/dbraw/zinc/46/79/36/550467936.db2.gz CGDXAIKQEHMPIC-GFCCVEGCSA-N 1 0 361.398 2.152 20 5 FEBDRO CCc1nn(C)c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273266039 550492103 /nfs/dbraw/zinc/49/21/03/550492103.db2.gz WIICZLKPJZEKQV-OAHLLOKOSA-N 1 0 359.430 2.069 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273458228 550499219 /nfs/dbraw/zinc/49/92/19/550499219.db2.gz HTFROYXOTVYTSV-ZDUSSCGKSA-N 1 0 370.475 2.022 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273492076 550500425 /nfs/dbraw/zinc/50/04/25/550500425.db2.gz SQWMNRWQSPRFPS-ZDUSSCGKSA-N 1 0 364.446 2.475 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000273953152 550517078 /nfs/dbraw/zinc/51/70/78/550517078.db2.gz MZQKVJORDLLMEK-CYBMUJFWSA-N 1 0 359.386 2.088 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669567 561473802 /nfs/dbraw/zinc/47/38/02/561473802.db2.gz CDPHSUGUCPTMQI-CHWSQXEVSA-N 1 0 352.412 2.028 20 5 FEBDRO CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C[NH+]1CCCC1 ZINC000276704040 550587207 /nfs/dbraw/zinc/58/72/07/550587207.db2.gz JARUABZOACBAJQ-UHFFFAOYSA-N 1 0 353.394 2.351 20 5 FEBDRO CC(C)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068667 550628161 /nfs/dbraw/zinc/62/81/61/550628161.db2.gz DRRCMGKHVPJQFA-SWLSCSKDSA-N 1 0 358.485 2.488 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277286839 550651989 /nfs/dbraw/zinc/65/19/89/550651989.db2.gz SOXWVDFZWHIVKB-UHFFFAOYSA-N 1 0 364.402 2.249 20 5 FEBDRO CC(C)[NH+](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000277693508 550702358 /nfs/dbraw/zinc/70/23/58/550702358.db2.gz CEQBXRSTJYGMJS-UHFFFAOYSA-N 1 0 362.434 2.389 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000277941984 550731565 /nfs/dbraw/zinc/73/15/65/550731565.db2.gz AFKVVUKDEAGMOS-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278027251 550740539 /nfs/dbraw/zinc/74/05/39/550740539.db2.gz QTJJGPJVDZJYOS-ZDUSSCGKSA-N 1 0 367.833 2.351 20 5 FEBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278191881 550759306 /nfs/dbraw/zinc/75/93/06/550759306.db2.gz OWRBSLRAWDRLKQ-OAHLLOKOSA-N 1 0 356.382 2.042 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000278371731 550778662 /nfs/dbraw/zinc/77/86/62/550778662.db2.gz BYUOGDKHAYXQHG-UXIGCNINSA-N 1 0 351.403 2.478 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355261 550984235 /nfs/dbraw/zinc/98/42/35/550984235.db2.gz JJPZAFVWYWDYEC-FZKQIMNGSA-N 1 0 363.414 2.112 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000496261026 561493237 /nfs/dbraw/zinc/49/32/37/561493237.db2.gz HBIMUZITMNQOFK-OAHLLOKOSA-N 1 0 357.414 2.445 20 5 FEBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281010083 551054723 /nfs/dbraw/zinc/05/47/23/551054723.db2.gz OOTOEAXCRBUESK-QGZVFWFLSA-N 1 0 374.441 2.447 20 5 FEBDRO CN(C(=O)C[NH2+][C@]1(CO)CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000281711543 551133688 /nfs/dbraw/zinc/13/36/88/551133688.db2.gz OOFAOUXVJVUMDW-FQEVSTJZSA-N 1 0 369.421 2.371 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000281832995 551145617 /nfs/dbraw/zinc/14/56/17/551145617.db2.gz WOFJIVQMKHBELQ-UHFFFAOYSA-N 1 0 358.398 2.407 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000283049707 551303225 /nfs/dbraw/zinc/30/32/25/551303225.db2.gz SDUWDHUEJABDPJ-CYBMUJFWSA-N 1 0 366.393 2.310 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295479 551343342 /nfs/dbraw/zinc/34/33/42/551343342.db2.gz MZKUTHMEIBOVKS-GJZGRUSLSA-N 1 0 351.428 2.130 20 5 FEBDRO [NH3+][C@@H](CC(F)F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498204384 561518343 /nfs/dbraw/zinc/51/83/43/561518343.db2.gz HRHBHWHWYFUZMK-QMMMGPOBSA-N 1 0 370.278 2.124 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)CC1 ZINC000284335236 551526594 /nfs/dbraw/zinc/52/65/94/551526594.db2.gz IZOOYXKQYWJCPN-LBPRGKRZSA-N 1 0 350.394 2.120 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285208425 551720920 /nfs/dbraw/zinc/72/09/20/551720920.db2.gz DLEDUFCDVBYFJF-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417459 551753108 /nfs/dbraw/zinc/75/31/08/551753108.db2.gz BRNMXFJRMWULDT-JYJNAYRXSA-N 1 0 352.431 2.350 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285456632 551759528 /nfs/dbraw/zinc/75/95/28/551759528.db2.gz YXXFXUVKNMFRAD-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508408 551767423 /nfs/dbraw/zinc/76/74/23/551767423.db2.gz NUOBKRLAFGDXCM-JKSUJKDBSA-N 1 0 351.403 2.181 20 5 FEBDRO CCOC1CC2(C1)CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285560396 551774686 /nfs/dbraw/zinc/77/46/86/551774686.db2.gz SMZIIYJGWGCNSH-FAEJEUNOSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285840771 551817563 /nfs/dbraw/zinc/81/75/63/551817563.db2.gz YJQRZWQMDUMFTC-HZTRTUMWSA-N 1 0 360.458 2.329 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000498887414 561536879 /nfs/dbraw/zinc/53/68/79/561536879.db2.gz GPDRKWMHBWYLSX-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286174664 551857485 /nfs/dbraw/zinc/85/74/85/551857485.db2.gz ACKKJJCZHOZNRB-CHWSQXEVSA-N 1 0 353.444 2.061 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000286258155 551866639 /nfs/dbraw/zinc/86/66/39/551866639.db2.gz FIWPOGCJUXWRCX-UHFFFAOYSA-N 1 0 367.446 2.167 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287224038 551978052 /nfs/dbraw/zinc/97/80/52/551978052.db2.gz FQLUKKHBQDVSJD-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394417 551998324 /nfs/dbraw/zinc/99/83/24/551998324.db2.gz YLPAMGUJVUOIHT-KBXCAEBGSA-N 1 0 369.425 2.479 20 5 FEBDRO CCOC1CC(CNc2c(F)cccc2[N+](=O)[O-])(N2CCOCC2)C1 ZINC000287830730 552052337 /nfs/dbraw/zinc/05/23/37/552052337.db2.gz QYJCSEVHXDWNKD-UHFFFAOYSA-N 1 0 353.394 2.416 20 5 FEBDRO CCC[C@]1(CO)CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723516 552200867 /nfs/dbraw/zinc/20/08/67/552200867.db2.gz GALNQQRANQOJQV-ACJLOTCBSA-N 1 0 365.430 2.415 20 5 FEBDRO COCCOCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000289087089 552263953 /nfs/dbraw/zinc/26/39/53/552263953.db2.gz UCTKQYODVJPJPO-NSHDSACASA-N 1 0 359.810 2.170 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289343414 552304409 /nfs/dbraw/zinc/30/44/09/552304409.db2.gz XERMDPPLHBZFKW-IBGZPJMESA-N 1 0 358.442 2.411 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1SC ZINC000289538437 552337238 /nfs/dbraw/zinc/33/72/38/552337238.db2.gz BNNDSEQYQJJAKY-GHMZBOCLSA-N 1 0 351.428 2.007 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289771066 552375970 /nfs/dbraw/zinc/37/59/70/552375970.db2.gz GLBLNMGPVFLCPY-CABCVRRESA-N 1 0 366.805 2.131 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289858413 552389981 /nfs/dbraw/zinc/38/99/81/552389981.db2.gz CNLNAONVAJRCGK-VHSXEESVSA-N 1 0 354.204 2.039 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000290407435 552474644 /nfs/dbraw/zinc/47/46/44/552474644.db2.gz GAMQYQICKDZHDW-GUYCJALGSA-N 1 0 374.441 2.181 20 5 FEBDRO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000291004392 552574999 /nfs/dbraw/zinc/57/49/99/552574999.db2.gz CDKWKOFJFXLKKI-UHFFFAOYSA-N 1 0 371.349 2.100 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291666460 552648920 /nfs/dbraw/zinc/64/89/20/552648920.db2.gz GBOOMNSKFSMZIF-ZDUSSCGKSA-N 1 0 359.386 2.076 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000291714044 552654302 /nfs/dbraw/zinc/65/43/02/552654302.db2.gz ZECRLDLMTYJDHR-GFCCVEGCSA-N 1 0 362.434 2.391 20 5 FEBDRO CN(C(=O)CN1CC[C@@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291889567 552671957 /nfs/dbraw/zinc/67/19/57/552671957.db2.gz QPZOEGMSSHQWGC-HXUWFJFHSA-N 1 0 369.421 2.194 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291984701 552681592 /nfs/dbraw/zinc/68/15/92/552681592.db2.gz ZJDNHJRMHPMQHH-IUODEOHRSA-N 1 0 357.414 2.273 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000292324381 552715963 /nfs/dbraw/zinc/71/59/63/552715963.db2.gz JKLKJKMSEIXCFH-VIFPVBQESA-N 1 0 361.345 2.132 20 5 FEBDRO O=C(CC[N@H+]1CC[C@H](O)C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000292782314 552757900 /nfs/dbraw/zinc/75/79/00/552757900.db2.gz QARUJRDRQIOKQW-HNNXBMFYSA-N 1 0 351.378 2.442 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292836057 552763421 /nfs/dbraw/zinc/76/34/21/552763421.db2.gz BVOMOXXDHIJPCV-YJBOKZPZSA-N 1 0 361.445 2.365 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293069361 552785655 /nfs/dbraw/zinc/78/56/55/552785655.db2.gz IXOQOVZRMVMFRF-INIZCTEOSA-N 1 0 360.458 2.227 20 5 FEBDRO COCC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000293709985 552849174 /nfs/dbraw/zinc/84/91/74/552849174.db2.gz OWRHLGUGUSLGSZ-AWEZNQCLSA-N 1 0 365.430 2.345 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000293806306 552857915 /nfs/dbraw/zinc/85/79/15/552857915.db2.gz DTZQASLOJQUFIX-GOEBONIOSA-N 1 0 359.382 2.276 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000294079255 552880222 /nfs/dbraw/zinc/88/02/22/552880222.db2.gz JPADXBOSGAYABY-LJQANCHMSA-N 1 0 370.409 2.407 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000294327091 552897559 /nfs/dbraw/zinc/89/75/59/552897559.db2.gz XGXFZIXHPFKLIX-SFHVURJKSA-N 1 0 363.414 2.170 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295440162 553007060 /nfs/dbraw/zinc/00/70/60/553007060.db2.gz JWNPJFMSURGOLO-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000295458018 553009879 /nfs/dbraw/zinc/00/98/79/553009879.db2.gz LAHJQVJYCZSCBR-UHFFFAOYSA-N 1 0 356.854 2.170 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295482907 553014105 /nfs/dbraw/zinc/01/41/05/553014105.db2.gz ODTHMIJJWIKPJG-KGLIPLIRSA-N 1 0 367.471 2.038 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000295988336 553085656 /nfs/dbraw/zinc/08/56/56/553085656.db2.gz KMVJQYUEPKDAKA-WMZOPIPTSA-N 1 0 362.426 2.226 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000296352704 553146248 /nfs/dbraw/zinc/14/62/48/553146248.db2.gz RUASWKRQNMFUNN-UHFFFAOYSA-N 1 0 368.865 2.312 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000296888889 553225814 /nfs/dbraw/zinc/22/58/14/553225814.db2.gz VHQJJPVVEBCURF-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000296955673 553234691 /nfs/dbraw/zinc/23/46/91/553234691.db2.gz CIMHFBPDRVHQGT-VIFPVBQESA-N 1 0 359.415 2.218 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000297852482 553347584 /nfs/dbraw/zinc/34/75/84/553347584.db2.gz LJBXGSXOKOMVKD-UHFFFAOYSA-N 1 0 362.430 2.142 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297947003 553360955 /nfs/dbraw/zinc/36/09/55/553360955.db2.gz SLEJEELIYRQMCK-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000503517223 561643463 /nfs/dbraw/zinc/64/34/63/561643463.db2.gz PSEJAJRUWMPOBP-TZMCWYRMSA-N 1 0 355.341 2.234 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000298384308 553419083 /nfs/dbraw/zinc/41/90/83/553419083.db2.gz FCQZFRAZKCKNAI-QGZVFWFLSA-N 1 0 363.462 2.297 20 5 FEBDRO Cc1cc(F)ccc1C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000298414769 553422323 /nfs/dbraw/zinc/42/23/23/553422323.db2.gz XHDOZGRCCAUHTN-QGZVFWFLSA-N 1 0 362.405 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3ccncn3)CC2)c1 ZINC000298425606 553423683 /nfs/dbraw/zinc/42/36/83/553423683.db2.gz PTQNETHWQRXXJH-INIZCTEOSA-N 1 0 358.398 2.004 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000298620778 553450118 /nfs/dbraw/zinc/45/01/18/553450118.db2.gz PECPJWUWNBYNPV-ZDUSSCGKSA-N 1 0 355.822 2.133 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000298978268 553498167 /nfs/dbraw/zinc/49/81/67/553498167.db2.gz PJISNRDNCXAKBF-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299130956 553519582 /nfs/dbraw/zinc/51/95/82/553519582.db2.gz NOPZYRVDQGRXFP-KRWDZBQOSA-N 1 0 357.414 2.135 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000299628313 553591794 /nfs/dbraw/zinc/59/17/94/553591794.db2.gz JUPMLVUACFBHNA-GOEBONIOSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000299628324 553591846 /nfs/dbraw/zinc/59/18/46/553591846.db2.gz JUPMLVUACFBHNA-ZBFHGGJFSA-N 1 0 374.441 2.093 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000301113662 553622944 /nfs/dbraw/zinc/62/29/44/553622944.db2.gz PAQBBBODHBHKTP-UHFFFAOYSA-N 1 0 361.446 2.181 20 5 FEBDRO Cc1nn(C)c(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549008 553660161 /nfs/dbraw/zinc/66/01/61/553660161.db2.gz LTGIAMPOSYJJSX-OKILXGFUSA-N 1 0 365.478 2.352 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572233 553662286 /nfs/dbraw/zinc/66/22/86/553662286.db2.gz LETMUGXUWSEPBU-DYVFJYSZSA-N 1 0 369.425 2.411 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000504895421 561663694 /nfs/dbraw/zinc/66/36/94/561663694.db2.gz TYXHYLOHVITMDY-CYBMUJFWSA-N 1 0 373.475 2.316 20 5 FEBDRO Nc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301712739 553673564 /nfs/dbraw/zinc/67/35/64/553673564.db2.gz LJXLLOPJESZYCY-HZPDHXFCSA-N 1 0 368.441 2.458 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CN3CCCC[C@H]3CO2)c(Br)c1 ZINC000301847971 553685201 /nfs/dbraw/zinc/68/52/01/553685201.db2.gz CENIOLGHDBPABY-JQWIXIFHSA-N 1 0 371.235 2.418 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897641 553689603 /nfs/dbraw/zinc/68/96/03/553689603.db2.gz RKEILMZRJWHWHL-NSHDSACASA-N 1 0 373.251 2.257 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000302047182 553700525 /nfs/dbraw/zinc/70/05/25/553700525.db2.gz LMHUCVKBRJGQKQ-GFCCVEGCSA-N 1 0 357.357 2.355 20 5 FEBDRO Cc1cc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302479488 553718022 /nfs/dbraw/zinc/71/80/22/553718022.db2.gz WBCNQUMEMLZYLC-IBGZPJMESA-N 1 0 356.426 2.371 20 5 FEBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000505485832 561672028 /nfs/dbraw/zinc/67/20/28/561672028.db2.gz FTJITOAKVZXSBG-HNNXBMFYSA-N 1 0 360.414 2.362 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000323364613 553769240 /nfs/dbraw/zinc/76/92/40/553769240.db2.gz YAQLVINKGIVCDS-YMTOWFKASA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324215866 553771367 /nfs/dbraw/zinc/77/13/67/553771367.db2.gz QMIYRAVMFJXDBF-UONOGXRCSA-N 1 0 353.444 2.056 20 5 FEBDRO COC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000327246979 553787227 /nfs/dbraw/zinc/78/72/27/553787227.db2.gz RXNVMQVWOAXIJM-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000328002257 553792429 /nfs/dbraw/zinc/79/24/29/553792429.db2.gz JLUIJHHYUGIFAF-NSHDSACASA-N 1 0 365.386 2.375 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000507493212 561730893 /nfs/dbraw/zinc/73/08/93/561730893.db2.gz HBMHOKFQUURJCC-LSDHHAIUSA-N 1 0 367.471 2.432 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000330613207 554146016 /nfs/dbraw/zinc/14/60/16/554146016.db2.gz YMPBXYBWVPEWQO-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000331039882 554205110 /nfs/dbraw/zinc/20/51/10/554205110.db2.gz CLCNTAMSWAKIIP-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508518451 561764526 /nfs/dbraw/zinc/76/45/26/561764526.db2.gz DZFSYBLOOKPKSD-INIZCTEOSA-N 1 0 356.430 2.455 20 5 FEBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000331279000 554240753 /nfs/dbraw/zinc/24/07/53/554240753.db2.gz JVZCIUVUIKOWBR-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO COC(=O)C[C@@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000509124119 561785654 /nfs/dbraw/zinc/78/56/54/561785654.db2.gz IAQDFCIZIRHBRO-GOSISDBHSA-N 1 0 359.382 2.437 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081030 554375797 /nfs/dbraw/zinc/37/57/97/554375797.db2.gz LAVNPDNHABXLIH-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1C ZINC000332089435 554378275 /nfs/dbraw/zinc/37/82/75/554378275.db2.gz UQQJZFJWONSMAO-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332445843 554447496 /nfs/dbraw/zinc/44/74/96/554447496.db2.gz KUPBWLBVYZFPFK-KZULUSFZSA-N 1 0 360.414 2.274 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589461 554477586 /nfs/dbraw/zinc/47/75/86/554477586.db2.gz MSORCXGCRCYEBT-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510720086 561844377 /nfs/dbraw/zinc/84/43/77/561844377.db2.gz LZORSWNXCSFVMA-KBPBESRZSA-N 1 0 353.444 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000510665369 561842656 /nfs/dbraw/zinc/84/26/56/561842656.db2.gz NRYWVWBBZCZXRP-BBRMVZONSA-N 1 0 373.450 2.381 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000361776393 554934279 /nfs/dbraw/zinc/93/42/79/554934279.db2.gz UFOPNAWTHRBALN-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000362970634 555003885 /nfs/dbraw/zinc/00/38/85/555003885.db2.gz MJOZBZMXTSSMCB-CQSZACIVSA-N 1 0 361.402 2.049 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363343224 555081605 /nfs/dbraw/zinc/08/16/05/555081605.db2.gz PPVPWQDARHYWMR-ZDUSSCGKSA-N 1 0 351.378 2.200 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000363489209 555118920 /nfs/dbraw/zinc/11/89/20/555118920.db2.gz SRYVRLWZZRXNKO-GXTWGEPZSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000363680232 555162409 /nfs/dbraw/zinc/16/24/09/555162409.db2.gz YHJIXEZNBQVPJQ-HNNXBMFYSA-N 1 0 374.441 2.319 20 5 FEBDRO O=C([C@H]1CCCO1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363714615 555170205 /nfs/dbraw/zinc/17/02/05/555170205.db2.gz QVGZMJJROJTIDQ-MRXNPFEDSA-N 1 0 367.833 2.462 20 5 FEBDRO CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)C[NH+](Cc2ccccc2)C1 ZINC000363972455 555224654 /nfs/dbraw/zinc/22/46/54/555224654.db2.gz HYLVEIRRVXTNED-UHFFFAOYSA-N 1 0 354.410 2.429 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364181182 555264391 /nfs/dbraw/zinc/26/43/91/555264391.db2.gz KKQCKEAOEXIPHM-YOEHRIQHSA-N 1 0 362.386 2.463 20 5 FEBDRO Nc1c(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204394 555269062 /nfs/dbraw/zinc/26/90/62/555269062.db2.gz KLBQSBHBZGAXDB-ZIAGYGMSSA-N 1 0 362.336 2.022 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1ccc([N+](=O)[O-])cc1 ZINC000364298603 555286995 /nfs/dbraw/zinc/28/69/95/555286995.db2.gz GXKLELSVVKMJBR-UHFFFAOYSA-N 1 0 358.446 2.391 20 5 FEBDRO Cc1c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000364646626 555361480 /nfs/dbraw/zinc/36/14/80/555361480.db2.gz MZQREUNQLKNRND-HOCLYGCPSA-N 1 0 360.414 2.214 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000364914209 555436118 /nfs/dbraw/zinc/43/61/18/555436118.db2.gz MZNMCOVLZWCVGD-MQVJKMGUSA-N 1 0 359.426 2.147 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000365047753 555473137 /nfs/dbraw/zinc/47/31/37/555473137.db2.gz YELBKDFZHFJPQF-HZPDHXFCSA-N 1 0 350.415 2.083 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000512888583 561919067 /nfs/dbraw/zinc/91/90/67/561919067.db2.gz AOTVEALGSQKZOZ-UHFFFAOYSA-N 1 0 370.365 2.084 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365204511 555510590 /nfs/dbraw/zinc/51/05/90/555510590.db2.gz RPMIMOCNVRSPLY-YQVWRLOYSA-N 1 0 373.384 2.329 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221789 555514940 /nfs/dbraw/zinc/51/49/40/555514940.db2.gz HRYCYTXTZIRVLG-RYUDHWBXSA-N 1 0 356.382 2.205 20 5 FEBDRO CCCc1n[nH]c(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000365301634 555536626 /nfs/dbraw/zinc/53/66/26/555536626.db2.gz WUMHWNXDDLHVGB-UHFFFAOYSA-N 1 0 372.429 2.406 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365326607 555543458 /nfs/dbraw/zinc/54/34/58/555543458.db2.gz NKXUXVQJMVFGTJ-RHSMWYFYSA-N 1 0 358.442 2.409 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365333645 555545592 /nfs/dbraw/zinc/54/55/92/555545592.db2.gz YKWPLCSBYHXXJI-IINYFYTJSA-N 1 0 368.231 2.110 20 5 FEBDRO COc1cc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000365396697 555563626 /nfs/dbraw/zinc/56/36/26/555563626.db2.gz RNDXFULLSMOUME-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365792253 555668368 /nfs/dbraw/zinc/66/83/68/555668368.db2.gz BEKUTUODMXSAFU-UHFFFAOYSA-N 1 0 364.402 2.190 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365859412 555685504 /nfs/dbraw/zinc/68/55/04/555685504.db2.gz GCZFUKAFCQJSHK-CJNGLKHVSA-N 1 0 364.471 2.045 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513912625 561954328 /nfs/dbraw/zinc/95/43/28/561954328.db2.gz FVXVVGLDKRRRIK-MRXNPFEDSA-N 1 0 371.441 2.359 20 5 FEBDRO O=C(Nc1ccccn1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366699066 555912200 /nfs/dbraw/zinc/91/22/00/555912200.db2.gz IPWBEAOYUHRVQI-KRWDZBQOSA-N 1 0 370.409 2.374 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)no1 ZINC000366700618 555912543 /nfs/dbraw/zinc/91/25/43/555912543.db2.gz XMSXTBLFXZTCDH-GJZGRUSLSA-N 1 0 357.414 2.104 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000366829071 555945623 /nfs/dbraw/zinc/94/56/23/555945623.db2.gz ZUDAIKCRQPRVES-UHFFFAOYSA-N 1 0 353.444 2.091 20 5 FEBDRO Nc1nccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990254 555990696 /nfs/dbraw/zinc/99/06/96/555990696.db2.gz SHSBAWACZDMZBR-CYBMUJFWSA-N 1 0 370.413 2.175 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367270836 556004702 /nfs/dbraw/zinc/00/47/02/556004702.db2.gz MKLGQYJKINTUMG-AWEZNQCLSA-N 1 0 363.414 2.355 20 5 FEBDRO Cc1c([C@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332857 556020727 /nfs/dbraw/zinc/02/07/27/556020727.db2.gz JUVSWTURYIUUMT-MAUKXSAKSA-N 1 0 360.414 2.214 20 5 FEBDRO Cn1ccnc1[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348274 556024602 /nfs/dbraw/zinc/02/46/02/556024602.db2.gz GYKKXLSIEZWHDV-XYJFISCASA-N 1 0 369.425 2.161 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CCO1 ZINC000367496073 556066444 /nfs/dbraw/zinc/06/64/44/556066444.db2.gz BPXIXUZKDCAANR-NSHDSACASA-N 1 0 363.443 2.289 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000367548542 556079794 /nfs/dbraw/zinc/07/97/94/556079794.db2.gz CQAFNJXFRAAVQL-IAQYHMDHSA-N 1 0 363.443 2.203 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000367883693 556164413 /nfs/dbraw/zinc/16/44/13/556164413.db2.gz CZQZPOSQLKKEBF-GDBMZVCRSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367934083 556176334 /nfs/dbraw/zinc/17/63/34/556176334.db2.gz FPGRCOULURNLFW-CQSZACIVSA-N 1 0 360.458 2.402 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368371267 556290403 /nfs/dbraw/zinc/29/04/03/556290403.db2.gz UVRMNHGMHAWZPU-BXUZGUMPSA-N 1 0 368.231 2.110 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000368389380 556294627 /nfs/dbraw/zinc/29/46/27/556294627.db2.gz WHFXOSNCIFPUPG-AWEZNQCLSA-N 1 0 352.822 2.167 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000515415810 562009807 /nfs/dbraw/zinc/00/98/07/562009807.db2.gz VSIHMURMJSGEMY-CYBMUJFWSA-N 1 0 358.320 2.003 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368964548 556460596 /nfs/dbraw/zinc/46/05/96/556460596.db2.gz GLXMHBGNIQKJER-RDJZCZTQSA-N 1 0 363.458 2.079 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368967330 556461385 /nfs/dbraw/zinc/46/13/85/556461385.db2.gz WTSXZQAOHQCRHO-OAHLLOKOSA-N 1 0 351.447 2.271 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000368994914 556471140 /nfs/dbraw/zinc/47/11/40/556471140.db2.gz FVZZZECLZRMEOH-UHFFFAOYSA-N 1 0 363.462 2.259 20 5 FEBDRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000369053014 556490263 /nfs/dbraw/zinc/49/02/63/556490263.db2.gz WYHLZOJXIUAEKH-UHFFFAOYSA-N 1 0 365.411 2.108 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000369079918 556499199 /nfs/dbraw/zinc/49/91/99/556499199.db2.gz ZBUSVTFQDKQKPM-BBRMVZONSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc1C ZINC000369533370 556623003 /nfs/dbraw/zinc/62/30/03/556623003.db2.gz SJBBTVFRBSFOQN-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000369573315 556635563 /nfs/dbraw/zinc/63/55/63/556635563.db2.gz KPLTURRCWDJFQX-BLLLJJGKSA-N 1 0 363.443 2.052 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721390 556677962 /nfs/dbraw/zinc/67/79/62/556677962.db2.gz DQPXCONIIGYFBU-FVQBIDKESA-N 1 0 373.457 2.450 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000369929799 556733491 /nfs/dbraw/zinc/73/34/91/556733491.db2.gz JBEJMJJBRIRMRY-YOGCLGLASA-N 1 0 365.817 2.021 20 5 FEBDRO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370059798 556769938 /nfs/dbraw/zinc/76/99/38/556769938.db2.gz LASGLJHKHAFFSU-KRWDZBQOSA-N 1 0 357.414 2.258 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000370094322 556779215 /nfs/dbraw/zinc/77/92/15/556779215.db2.gz XTDHLWKYEVWZBK-CYBMUJFWSA-N 1 0 372.385 2.299 20 5 FEBDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516367 562045578 /nfs/dbraw/zinc/04/55/78/562045578.db2.gz QGQYINRINJNEDT-HIFRSBDPSA-N 1 0 367.471 2.455 20 5 FEBDRO [NH3+][C@H]1CCCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000370138973 556791236 /nfs/dbraw/zinc/79/12/36/556791236.db2.gz ASEGSIWCVZKOCB-QILLFSRXSA-N 1 0 358.442 2.076 20 5 FEBDRO CCn1ccnc1CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC12CC[NH2+]CC2 ZINC000370157818 556796913 /nfs/dbraw/zinc/79/69/13/556796913.db2.gz ANAQYADLBSVTDJ-AWEZNQCLSA-N 1 0 373.413 2.189 20 5 FEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000370195431 556807729 /nfs/dbraw/zinc/80/77/29/556807729.db2.gz UYIXTSMHIUCWKI-JRSKDTKFSA-N 1 0 372.425 2.221 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370502172 556892812 /nfs/dbraw/zinc/89/28/12/556892812.db2.gz APDMFGZVSDJUSK-INIZCTEOSA-N 1 0 371.393 2.329 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000370764202 556961209 /nfs/dbraw/zinc/96/12/09/556961209.db2.gz WYNHMTHGVRSEOJ-SWLSCSKDSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000370819169 556978761 /nfs/dbraw/zinc/97/87/61/556978761.db2.gz JHCARHHVTLFGRP-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370820513 556979229 /nfs/dbraw/zinc/97/92/29/556979229.db2.gz PKOIUHISEQSJSK-LKGOPFMKSA-N 1 0 372.469 2.235 20 5 FEBDRO Cc1cnn([C@@H]2CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000516999391 562070223 /nfs/dbraw/zinc/07/02/23/562070223.db2.gz PSVCVFCQUVFDRU-OAHLLOKOSA-N 1 0 371.397 2.345 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000517231178 562081204 /nfs/dbraw/zinc/08/12/04/562081204.db2.gz VAXLOTHOADGUDJ-KVSKMBFKSA-N 1 0 373.409 2.239 20 5 FEBDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491997 557198978 /nfs/dbraw/zinc/19/89/78/557198978.db2.gz ZRCAUQKUKJZWMS-ZIAGYGMSSA-N 1 0 357.414 2.340 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371533082 557212354 /nfs/dbraw/zinc/21/23/54/557212354.db2.gz DDBSQRBRMYHZLZ-OUCADQQQSA-N 1 0 373.438 2.156 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371692399 557265309 /nfs/dbraw/zinc/26/53/09/557265309.db2.gz IZSJZEULPMYQLX-IAGOWNOFSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCN(Cc2ccnc(C)n2)C1=O ZINC000371952416 557337513 /nfs/dbraw/zinc/33/75/13/557337513.db2.gz FSOTULKEZQOTEC-GOSISDBHSA-N 1 0 369.425 2.282 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000371960213 557340150 /nfs/dbraw/zinc/34/01/50/557340150.db2.gz NQMNHISKZVBSJE-AWEZNQCLSA-N 1 0 367.471 2.373 20 5 FEBDRO CC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047415 557365654 /nfs/dbraw/zinc/36/56/54/557365654.db2.gz QNIPERXCKYSECA-PKOBYXMFSA-N 1 0 362.474 2.042 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372126723 557386752 /nfs/dbraw/zinc/38/67/52/557386752.db2.gz PSLBHCGEKHMIPB-CYBMUJFWSA-N 1 0 355.398 2.340 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558141 557504599 /nfs/dbraw/zinc/50/45/99/557504599.db2.gz RINQHSXJNNTAEV-AUUYWEPGSA-N 1 0 374.441 2.175 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372907054 557585758 /nfs/dbraw/zinc/58/57/58/557585758.db2.gz PADJROPFSCMWLM-RNCFNFMXSA-N 1 0 354.204 2.181 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000519828506 562145804 /nfs/dbraw/zinc/14/58/04/562145804.db2.gz TZDIAQCVSZFKSG-NSHDSACASA-N 1 0 365.789 2.454 20 5 FEBDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000373207216 557649723 /nfs/dbraw/zinc/64/97/23/557649723.db2.gz COTXNAPNLOQNTA-LMMKCTJWSA-N 1 0 369.425 2.315 20 5 FEBDRO [NH3+]C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000520408465 562155801 /nfs/dbraw/zinc/15/58/01/562155801.db2.gz SKMPQNRRSOXGLQ-INIZCTEOSA-N 1 0 360.458 2.445 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520377924 562154973 /nfs/dbraw/zinc/15/49/73/562154973.db2.gz WEBJCXKUAQPVGR-OAHLLOKOSA-N 1 0 350.419 2.147 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000373607476 557728550 /nfs/dbraw/zinc/72/85/50/557728550.db2.gz AOKPKUINOPYECP-AEFFLSMTSA-N 1 0 355.398 2.124 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000373747249 557750646 /nfs/dbraw/zinc/75/06/46/557750646.db2.gz TZFKXOZGEJQTDU-AWEZNQCLSA-N 1 0 350.419 2.132 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000373811623 557764558 /nfs/dbraw/zinc/76/45/58/557764558.db2.gz FQPBDCMXDHGGBW-UHFFFAOYSA-N 1 0 353.338 2.114 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520562499 562159009 /nfs/dbraw/zinc/15/90/09/562159009.db2.gz VHVCIJDKFZWUBH-LBPRGKRZSA-N 1 0 373.837 2.052 20 5 FEBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC000373951719 557794623 /nfs/dbraw/zinc/79/46/23/557794623.db2.gz VNWYZWABODTNDH-UHFFFAOYSA-N 1 0 350.394 2.264 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000374114870 557825983 /nfs/dbraw/zinc/82/59/83/557825983.db2.gz NZYWKRQCAIEOET-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000374115906 557826161 /nfs/dbraw/zinc/82/61/61/557826161.db2.gz UTKAQQDVPOEXJX-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000555865937 674379381 /nfs/dbraw/zinc/37/93/81/674379381.db2.gz AZAGYAPZEXEIPF-JTQLQIEISA-N 1 0 356.220 2.490 20 5 FEBDRO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CC[NH+](C)CC1 ZINC000374253860 557851826 /nfs/dbraw/zinc/85/18/26/557851826.db2.gz KMPZOZOSXMOXPC-LBPRGKRZSA-N 1 0 354.401 2.478 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](c2ccccc2)C1 ZINC000374315861 557863978 /nfs/dbraw/zinc/86/39/78/557863978.db2.gz ZTSHPEASARICOT-NVXWUHKLSA-N 1 0 373.384 2.327 20 5 FEBDRO O=C1[C@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366432 557872623 /nfs/dbraw/zinc/87/26/23/557872623.db2.gz NUBWWCLGPASVNM-MAUKXSAKSA-N 1 0 359.426 2.449 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783052 557930732 /nfs/dbraw/zinc/93/07/32/557930732.db2.gz VPKFJOULUQOLHV-MRXNPFEDSA-N 1 0 350.438 2.334 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)ccc1Cl ZINC000374830680 557937496 /nfs/dbraw/zinc/93/74/96/557937496.db2.gz SCKUEPUKHCHMTD-UHFFFAOYSA-N 1 0 373.862 2.248 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374922506 557951927 /nfs/dbraw/zinc/95/19/27/557951927.db2.gz ASYJPAZYFSNUPG-QAPCUYQASA-N 1 0 358.394 2.274 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C1 ZINC000375523045 558042599 /nfs/dbraw/zinc/04/25/99/558042599.db2.gz WEEDUVDPABYAQI-LBPRGKRZSA-N 1 0 373.379 2.225 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000375617612 558057527 /nfs/dbraw/zinc/05/75/27/558057527.db2.gz JLJBDYZRXADZSV-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000521570025 562178925 /nfs/dbraw/zinc/17/89/25/562178925.db2.gz XMFHJMJMGHZKQE-UHFFFAOYSA-N 1 0 366.368 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1OC(F)F ZINC000375902035 558096180 /nfs/dbraw/zinc/09/61/80/558096180.db2.gz DZHPFZUHFWQCJI-GXTWGEPZSA-N 1 0 357.357 2.232 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000376397062 558167983 /nfs/dbraw/zinc/16/79/83/558167983.db2.gz QOUKETULDHAYBK-AWEZNQCLSA-N 1 0 362.430 2.253 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000377243837 558297112 /nfs/dbraw/zinc/29/71/12/558297112.db2.gz KDDRCTBGCCWDQN-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000377479998 558348220 /nfs/dbraw/zinc/34/82/20/558348220.db2.gz AJVKTBGXTGPKAV-UHFFFAOYSA-N 1 0 364.402 2.442 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000522136829 562192205 /nfs/dbraw/zinc/19/22/05/562192205.db2.gz UFVVPVAMSTUSFZ-ZDUSSCGKSA-N 1 0 351.451 2.117 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377647840 558386165 /nfs/dbraw/zinc/38/61/65/558386165.db2.gz TZEUVKCLQGMQSK-GOSISDBHSA-N 1 0 365.430 2.272 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535188 562199535 /nfs/dbraw/zinc/19/95/35/562199535.db2.gz VBLJIABGXCLCQW-QWHCGFSZSA-N 1 0 351.451 2.177 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522903732 562205860 /nfs/dbraw/zinc/20/58/60/562205860.db2.gz PMYGNIILWJGCJM-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246535 558510865 /nfs/dbraw/zinc/51/08/65/558510865.db2.gz ICTHVZGOWKPJDL-MSOLQXFVSA-N 1 0 359.430 2.391 20 5 FEBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000523392436 562212224 /nfs/dbraw/zinc/21/22/24/562212224.db2.gz HLWPCTYCPOYCQX-UHFFFAOYSA-N 1 0 365.430 2.249 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369644 558542002 /nfs/dbraw/zinc/54/20/02/558542002.db2.gz YWKGERUABXYNNR-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO CN(C(=O)[C@H]1CC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000378510521 558572534 /nfs/dbraw/zinc/57/25/34/558572534.db2.gz WYRQWJXRKDMXBG-MSOLQXFVSA-N 1 0 373.453 2.351 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000523757286 562219221 /nfs/dbraw/zinc/21/92/21/562219221.db2.gz BMMWXUPQGKQRQC-OKILXGFUSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000523947682 562221974 /nfs/dbraw/zinc/22/19/74/562221974.db2.gz MEPXYTJFPANIRV-MRXNPFEDSA-N 1 0 359.430 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C ZINC000405307683 558632402 /nfs/dbraw/zinc/63/24/02/558632402.db2.gz NCOXXVOZIJBSNL-BXUZGUMPSA-N 1 0 355.460 2.350 20 5 FEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183026 558654637 /nfs/dbraw/zinc/65/46/37/558654637.db2.gz OUYAGVXAVZMZCE-YOEHRIQHSA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182444 558654718 /nfs/dbraw/zinc/65/47/18/558654718.db2.gz KRVWHBQBBWHGCU-WMLDXEAASA-N 1 0 358.442 2.043 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000411140296 558843978 /nfs/dbraw/zinc/84/39/78/558843978.db2.gz MSRAPJXTEAUOKJ-CQSZACIVSA-N 1 0 364.446 2.243 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000525323817 562246060 /nfs/dbraw/zinc/24/60/60/562246060.db2.gz OZOYHFPTYXPCPM-CQSZACIVSA-N 1 0 351.451 2.345 20 5 FEBDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411681206 558942970 /nfs/dbraw/zinc/94/29/70/558942970.db2.gz OGNBJDULIRXQDO-INIZCTEOSA-N 1 0 370.409 2.390 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411943296 558992676 /nfs/dbraw/zinc/99/26/76/558992676.db2.gz QGZYFVNKTYJJGS-SNVBAGLBSA-N 1 0 373.356 2.115 20 5 FEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411958679 558995399 /nfs/dbraw/zinc/99/53/99/558995399.db2.gz CIOKIRDGKPAGFF-LJQANCHMSA-N 1 0 365.393 2.100 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411964291 558996152 /nfs/dbraw/zinc/99/61/52/558996152.db2.gz DBEZMWCKTQGWPN-PIGZYNQJSA-N 1 0 351.403 2.335 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976342 558998230 /nfs/dbraw/zinc/99/82/30/558998230.db2.gz CZTCKZKPFZIYLA-QZTJIDSGSA-N 1 0 356.426 2.422 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412147696 559017008 /nfs/dbraw/zinc/01/70/08/559017008.db2.gz HFMDRNXEZKKRGD-LBPRGKRZSA-N 1 0 353.394 2.228 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412147695 559017064 /nfs/dbraw/zinc/01/70/64/559017064.db2.gz HFMDRNXEZKKRGD-GFCCVEGCSA-N 1 0 353.394 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000412186461 559018977 /nfs/dbraw/zinc/01/89/77/559018977.db2.gz SCFFZJLZGGYJEP-WCQYABFASA-N 1 0 353.394 2.130 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412210490 559020247 /nfs/dbraw/zinc/02/02/47/559020247.db2.gz DNLYDVBOJKVEEL-FGTMMUONSA-N 1 0 361.442 2.051 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCC23CC[NH+](C)CC3)c1F ZINC000412226626 559021232 /nfs/dbraw/zinc/02/12/32/559021232.db2.gz MEXKYMFGHPCICN-UHFFFAOYSA-N 1 0 365.405 2.372 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000413189637 559087141 /nfs/dbraw/zinc/08/71/41/559087141.db2.gz CHTHJZOOSLBUDC-YOEHRIQHSA-N 1 0 360.389 2.424 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000413537495 559115071 /nfs/dbraw/zinc/11/50/71/559115071.db2.gz RUVBWZSFCKHMHJ-SJLPKXTDSA-N 1 0 356.426 2.939 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000414178799 559151776 /nfs/dbraw/zinc/15/17/76/559151776.db2.gz JTCUIHCQFOFJIQ-MRXNPFEDSA-N 1 0 363.458 2.435 20 5 FEBDRO CO[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000414949602 559196677 /nfs/dbraw/zinc/19/66/77/559196677.db2.gz NVHODRYLZMPZNX-QWRGUYRKSA-N 1 0 374.344 2.166 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000415098946 559205139 /nfs/dbraw/zinc/20/51/39/559205139.db2.gz XBMBQXPEXMYKKZ-UHFFFAOYSA-N 1 0 368.393 2.183 20 5 FEBDRO COc1ccc(-c2ccc(CN3CCCO[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415103417 559205262 /nfs/dbraw/zinc/20/52/62/559205262.db2.gz FOBGLRAHPZFMLF-HNNXBMFYSA-N 1 0 361.398 2.413 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cccc1[N+](=O)[O-] ZINC000415457447 559239210 /nfs/dbraw/zinc/23/92/10/559239210.db2.gz XUKHTJZBXMGPNT-UHFFFAOYSA-N 1 0 362.430 2.270 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])C(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415597283 559254048 /nfs/dbraw/zinc/25/40/48/559254048.db2.gz IYIKAECCBHOLLI-ZDUSSCGKSA-N 1 0 352.391 2.185 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606392 559254759 /nfs/dbraw/zinc/25/47/59/559254759.db2.gz YVQVCBSSCPBHSY-DGCLKSJQSA-N 1 0 364.402 2.329 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415657141 559258783 /nfs/dbraw/zinc/25/87/83/559258783.db2.gz JRHYKUOJFWQXMT-DGCLKSJQSA-N 1 0 362.430 2.088 20 5 FEBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1(O)CCOCC1 ZINC000417382391 559360266 /nfs/dbraw/zinc/36/02/66/559360266.db2.gz NTKJBGXFJUBZTK-HUUCEWRRSA-N 1 0 366.462 2.432 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000417720883 559373991 /nfs/dbraw/zinc/37/39/91/559373991.db2.gz SLDOSPUNSXNUQO-CQSZACIVSA-N 1 0 363.462 2.474 20 5 FEBDRO [NH3+][C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418405180 559400438 /nfs/dbraw/zinc/40/04/38/559400438.db2.gz AYNWHCYGBFSJON-MRXNPFEDSA-N 1 0 356.382 2.199 20 5 FEBDRO [NH3+]C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC12CCOCC2 ZINC000420285755 559478748 /nfs/dbraw/zinc/47/87/48/559478748.db2.gz ZRGGQVQVCGDKKE-JTQLQIEISA-N 1 0 360.336 2.200 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420395779 559485142 /nfs/dbraw/zinc/48/51/42/559485142.db2.gz CEVXTISDIJGRRX-OCCSQVGLSA-N 1 0 370.409 2.320 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420406267 559486010 /nfs/dbraw/zinc/48/60/10/559486010.db2.gz NLHZNJWLKVPMJP-QGZVFWFLSA-N 1 0 354.410 2.488 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000420478086 559489574 /nfs/dbraw/zinc/48/95/74/559489574.db2.gz VZBIXACJZQKODF-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO COc1ccc(CNC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420773253 559503658 /nfs/dbraw/zinc/50/36/58/559503658.db2.gz AQHDYNLVCWHLJY-UHFFFAOYSA-N 1 0 350.419 2.275 20 5 FEBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](CO)O1 ZINC000420932097 559512343 /nfs/dbraw/zinc/51/23/43/559512343.db2.gz HBCJALKUQDKFBI-HNNXBMFYSA-N 1 0 361.398 2.264 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420998875 559518500 /nfs/dbraw/zinc/51/85/00/559518500.db2.gz ULCCZRPZWPSCAK-CQSZACIVSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011795 559519302 /nfs/dbraw/zinc/51/93/02/559519302.db2.gz HMKJGZIIIRTVTD-KGLIPLIRSA-N 1 0 365.430 2.415 20 5 FEBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421029753 559520837 /nfs/dbraw/zinc/52/08/37/559520837.db2.gz IOPLDHSEYDGTEW-ZDUSSCGKSA-N 1 0 351.403 2.097 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421289936 559536181 /nfs/dbraw/zinc/53/61/81/559536181.db2.gz RMXPQPPACZTLTC-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO [NH3+][C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000423482675 559630056 /nfs/dbraw/zinc/63/00/56/559630056.db2.gz RTXRWHBFKKBDFB-HNNXBMFYSA-N 1 0 357.360 2.427 20 5 FEBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000423951580 559647844 /nfs/dbraw/zinc/64/78/44/559647844.db2.gz KECOQIZQMTUFIJ-GFCCVEGCSA-N 1 0 358.236 2.389 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423969790 559648483 /nfs/dbraw/zinc/64/84/83/559648483.db2.gz JEYQIELPISCXRE-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@]1(C)C[NH3+] ZINC000423983344 559648904 /nfs/dbraw/zinc/64/89/04/559648904.db2.gz MIWNPIUYWYOQAG-MEBBXXQBSA-N 1 0 370.247 2.343 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C[NH3+] ZINC000424075783 559653843 /nfs/dbraw/zinc/65/38/43/559653843.db2.gz PROUCWPBPRDENH-RDBSUJKOSA-N 1 0 357.414 2.226 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000424074357 559653876 /nfs/dbraw/zinc/65/38/76/559653876.db2.gz JYLCTQODJABEAP-HNNXBMFYSA-N 1 0 369.377 2.302 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C[NH3+] ZINC000424075776 559653943 /nfs/dbraw/zinc/65/39/43/559653943.db2.gz PROUCWPBPRDENH-MCIONIFRSA-N 1 0 357.414 2.226 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000425497208 559705576 /nfs/dbraw/zinc/70/55/76/559705576.db2.gz WGRYSBOJTOTLRA-TXEJJXNPSA-N 1 0 372.263 2.244 20 5 FEBDRO CCc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000429044810 559789965 /nfs/dbraw/zinc/78/99/65/559789965.db2.gz FHCLRBYHDANLLR-UHFFFAOYSA-N 1 0 355.398 2.214 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429544039 559800863 /nfs/dbraw/zinc/80/08/63/559800863.db2.gz ZUNTWKHKEUHEGC-ZDUSSCGKSA-N 1 0 362.430 2.160 20 5 FEBDRO O=C1[C@H](N2CCC([NH2+]CC3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430561021 559822570 /nfs/dbraw/zinc/82/25/70/559822570.db2.gz YJRVPJJMQRRIAM-GOSISDBHSA-N 1 0 358.442 2.164 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430591780 559823874 /nfs/dbraw/zinc/82/38/74/559823874.db2.gz FWWGXYBOEKUJCJ-TZMCWYRMSA-N 1 0 352.435 2.236 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000431172266 559835438 /nfs/dbraw/zinc/83/54/38/559835438.db2.gz WHYFMIFLDWTRQM-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO CCOc1cc(NCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431491738 559840147 /nfs/dbraw/zinc/84/01/47/559840147.db2.gz XZQFHLQCDQCPKB-UHFFFAOYSA-N 1 0 364.446 2.398 20 5 FEBDRO COCCn1nnc2c1CCN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000432173382 559853415 /nfs/dbraw/zinc/85/34/15/559853415.db2.gz BRFPCZXIVWGREW-UHFFFAOYSA-N 1 0 368.397 2.252 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180028 559853490 /nfs/dbraw/zinc/85/34/90/559853490.db2.gz TXRJDOXHQGUFOZ-HIFRSBDPSA-N 1 0 372.425 2.320 20 5 FEBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433302535 559876491 /nfs/dbraw/zinc/87/64/91/559876491.db2.gz XVMIJUKOQNQPHY-CJNGLKHVSA-N 1 0 367.471 2.331 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434703250 559906963 /nfs/dbraw/zinc/90/69/63/559906963.db2.gz RENAYIQRGCZIIC-YVEFUNNKSA-N 1 0 371.441 2.327 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000439048711 559987713 /nfs/dbraw/zinc/98/77/13/559987713.db2.gz UTVSLFNRQLXAJJ-CQSZACIVSA-N 1 0 352.435 2.426 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439114246 559988737 /nfs/dbraw/zinc/98/87/37/559988737.db2.gz BGSCIDFROKODCY-INIZCTEOSA-N 1 0 373.457 2.287 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444089125 560101131 /nfs/dbraw/zinc/10/11/31/560101131.db2.gz UWFHYHVLZJFMQI-UHFFFAOYSA-N 1 0 367.449 2.379 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445023411 560126843 /nfs/dbraw/zinc/12/68/43/560126843.db2.gz LJZANTUSHBHBIH-UHFFFAOYSA-N 1 0 374.445 2.392 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445217519 560130791 /nfs/dbraw/zinc/13/07/91/560130791.db2.gz HFPIHFLRXVGDOP-UHFFFAOYSA-N 1 0 374.445 2.391 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000445706475 560134072 /nfs/dbraw/zinc/13/40/72/560134072.db2.gz DZTKEPKAFWIUBS-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CN(C)C1(C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1 ZINC000445868594 560135928 /nfs/dbraw/zinc/13/59/28/560135928.db2.gz ICWICELPVVLUCF-UHFFFAOYSA-N 1 0 362.430 2.309 20 5 FEBDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589602 560164988 /nfs/dbraw/zinc/16/49/88/560164988.db2.gz YMENMVBREDUYDI-LSDHHAIUSA-N 1 0 362.434 2.369 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448325850 560184724 /nfs/dbraw/zinc/18/47/24/560184724.db2.gz SZXNKDFAYPKLLG-HNNXBMFYSA-N 1 0 362.430 2.078 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448594024 560191735 /nfs/dbraw/zinc/19/17/35/560191735.db2.gz IGVWUXGFEWNSOS-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000449217693 560220692 /nfs/dbraw/zinc/22/06/92/560220692.db2.gz BAJBBSPUOPKEHD-ZDUSSCGKSA-N 1 0 363.439 2.006 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449443737 560230565 /nfs/dbraw/zinc/23/05/65/560230565.db2.gz VJGWYQGZEHAGCC-IMJJTQAJSA-N 1 0 369.487 2.223 20 5 FEBDRO Cn1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449641704 560235242 /nfs/dbraw/zinc/23/52/42/560235242.db2.gz DRPGGYYHWPWLLM-GXTWGEPZSA-N 1 0 357.414 2.243 20 5 FEBDRO CCOc1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000449687341 560236942 /nfs/dbraw/zinc/23/69/42/560236942.db2.gz PCNAKNBSIHAFQH-GFCCVEGCSA-N 1 0 351.403 2.264 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884292 560244100 /nfs/dbraw/zinc/24/41/00/560244100.db2.gz OOZSODLSBWXBMG-GDBMZVCRSA-N 1 0 369.425 2.479 20 5 FEBDRO COC(=O)Cc1ccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450245031 560255498 /nfs/dbraw/zinc/25/54/98/560255498.db2.gz QPQDDDUVMBXVQK-ZIAGYGMSSA-N 1 0 365.430 2.222 20 5 FEBDRO Nc1nc(-n2cccn2)cc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000450771903 560272852 /nfs/dbraw/zinc/27/28/52/560272852.db2.gz ZGLPHFQMIMWJLI-CQSZACIVSA-N 1 0 365.397 2.537 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450959397 560280024 /nfs/dbraw/zinc/28/00/24/560280024.db2.gz YENWFUSOFBZNFZ-CYBMUJFWSA-N 1 0 360.389 2.299 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)n2)c1 ZINC000451305781 560299199 /nfs/dbraw/zinc/29/91/99/560299199.db2.gz WPKGEFUHCVOIJP-IMJJTQAJSA-N 1 0 374.397 2.007 20 5 FEBDRO O=C1[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419599 560305849 /nfs/dbraw/zinc/30/58/49/560305849.db2.gz LSICWUSEHOBQGH-BSDSXHPESA-N 1 0 359.426 2.326 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451464706 560308504 /nfs/dbraw/zinc/30/85/04/560308504.db2.gz FUWUBAVMSWFAMN-JLZZUVOBSA-N 1 0 363.414 2.335 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@@H]21 ZINC000451480819 560309625 /nfs/dbraw/zinc/30/96/25/560309625.db2.gz RGBSKUMGLHFNGH-OLMNPRSZSA-N 1 0 359.426 2.277 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496057 560310330 /nfs/dbraw/zinc/31/03/30/560310330.db2.gz LQQKMDJKLLGMHE-GJZGRUSLSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501276 560310705 /nfs/dbraw/zinc/31/07/05/560310705.db2.gz OSBPHOQGNAMEBY-COLVAYQJSA-N 1 0 351.403 2.334 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451637758 560318452 /nfs/dbraw/zinc/31/84/52/560318452.db2.gz YKBSXANZYMQYJZ-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000452184194 560355004 /nfs/dbraw/zinc/35/50/04/560355004.db2.gz QTCWCPMHPCJTLN-ZDUSSCGKSA-N 1 0 358.398 2.421 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389494 560362969 /nfs/dbraw/zinc/36/29/69/560362969.db2.gz MAOLWHJVCIQDEX-ZFWWWQNUSA-N 1 0 367.471 2.038 20 5 FEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000453099169 560383256 /nfs/dbraw/zinc/38/32/56/560383256.db2.gz YLDVTTSQSYHSEE-MRXNPFEDSA-N 1 0 364.427 2.009 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453257999 560384875 /nfs/dbraw/zinc/38/48/75/560384875.db2.gz HLAZRFJHONBKCV-GOEBONIOSA-N 1 0 351.447 2.491 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454097264 560428976 /nfs/dbraw/zinc/42/89/76/560428976.db2.gz MJMQOSLMXDMMGH-CQSZACIVSA-N 1 0 362.430 2.091 20 5 FEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000455113629 560470698 /nfs/dbraw/zinc/47/06/98/560470698.db2.gz UWTKLGKTLCIYOJ-RCBQFDQVSA-N 1 0 350.419 2.016 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455134364 560471295 /nfs/dbraw/zinc/47/12/95/560471295.db2.gz DEADROWYAWIYRV-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO COC(=O)c1cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000456165912 560509409 /nfs/dbraw/zinc/50/94/09/560509409.db2.gz FFRNCVITMVGGGP-UHFFFAOYSA-N 1 0 351.403 2.232 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000457203249 560555507 /nfs/dbraw/zinc/55/55/07/560555507.db2.gz NTLJWGJOHMIJPQ-UHFFFAOYSA-N 1 0 358.398 2.453 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000457899281 560593024 /nfs/dbraw/zinc/59/30/24/560593024.db2.gz JSFUAKJHTBKAFY-CYBMUJFWSA-N 1 0 350.419 2.229 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000458178195 560607223 /nfs/dbraw/zinc/60/72/23/560607223.db2.gz WEHNYBKBUAKHQE-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000459704880 560703377 /nfs/dbraw/zinc/70/33/77/560703377.db2.gz MKXREACAUPMGBT-BEFAXECRSA-N 1 0 357.410 2.148 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459759016 560706743 /nfs/dbraw/zinc/70/67/43/560706743.db2.gz LQZTVLDDISSALK-UVBJJODRSA-N 1 0 363.414 2.478 20 5 FEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000461031660 560759950 /nfs/dbraw/zinc/75/99/50/560759950.db2.gz AYEBOXTVELPKII-CYBMUJFWSA-N 1 0 359.430 2.454 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000462191671 560800993 /nfs/dbraw/zinc/80/09/93/560800993.db2.gz WAPVYQCESJFZOP-RHSMWYFYSA-N 1 0 371.441 2.163 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000465994034 560877494 /nfs/dbraw/zinc/87/74/94/560877494.db2.gz YTEKBIIIBAONDB-HNNXBMFYSA-N 1 0 363.462 2.489 20 5 FEBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1NC(=O)CC[NH+](C)C ZINC000466458516 560887252 /nfs/dbraw/zinc/88/72/52/560887252.db2.gz PARNMVJFXAEHGH-UHFFFAOYSA-N 1 0 359.386 2.374 20 5 FEBDRO COc1cc(C(=O)N(CC[NH3+])Cc2ccccc2)cc([N+](=O)[O-])c1OC ZINC000467708440 560915376 /nfs/dbraw/zinc/91/53/76/560915376.db2.gz FRSZRJVUBJAWAI-UHFFFAOYSA-N 1 0 359.382 2.213 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000468899690 560941680 /nfs/dbraw/zinc/94/16/80/560941680.db2.gz HQDKFMUGHKLWHV-BMFZPTHFSA-N 1 0 369.487 2.366 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000469049426 560945707 /nfs/dbraw/zinc/94/57/07/560945707.db2.gz PBQMZLHNCUDNFB-AWEZNQCLSA-N 1 0 359.386 2.124 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000469188491 560949472 /nfs/dbraw/zinc/94/94/72/560949472.db2.gz WWHIIKOQNXMVPT-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000471205740 561000293 /nfs/dbraw/zinc/00/02/93/561000293.db2.gz WKKAVTWCCPHINK-INIZCTEOSA-N 1 0 364.446 2.204 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472566599 561029324 /nfs/dbraw/zinc/02/93/24/561029324.db2.gz DDFOLOCUPJERCD-UHFFFAOYSA-N 1 0 366.393 2.055 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000472631372 561031457 /nfs/dbraw/zinc/03/14/57/561031457.db2.gz MRFJPHRBAOYICI-JHSOUAKNSA-N 1 0 353.444 2.058 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000472770268 561035002 /nfs/dbraw/zinc/03/50/02/561035002.db2.gz ZMISRRSKMOWRIT-CQSZACIVSA-N 1 0 366.487 2.289 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985006 561062926 /nfs/dbraw/zinc/06/29/26/561062926.db2.gz RHOAOBYDKDNWFK-DOMZBBRYSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000473990446 561063033 /nfs/dbraw/zinc/06/30/33/561063033.db2.gz VOXAFWTVWKXSJW-ZDUSSCGKSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345190 561071680 /nfs/dbraw/zinc/07/16/80/561071680.db2.gz AFPBWEPQHMMSKE-VUCTXSBTSA-N 1 0 364.398 2.050 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000474577068 561077277 /nfs/dbraw/zinc/07/72/77/561077277.db2.gz LMNVQYNHVZQUIQ-UHFFFAOYSA-N 1 0 357.414 2.162 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000476418672 561118941 /nfs/dbraw/zinc/11/89/41/561118941.db2.gz NRZVZHDEJUUBAG-UHFFFAOYSA-N 1 0 357.414 2.244 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000476662807 561125543 /nfs/dbraw/zinc/12/55/43/561125543.db2.gz PMWKFXFJTMJIJN-UHFFFAOYSA-N 1 0 373.413 2.080 20 5 FEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)CC1 ZINC000476662421 561125610 /nfs/dbraw/zinc/12/56/10/561125610.db2.gz NRGHRXABLPRBMW-UHFFFAOYSA-N 1 0 363.462 2.301 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000530547104 562415531 /nfs/dbraw/zinc/41/55/31/562415531.db2.gz APQBEGGJLXLFBX-INIZCTEOSA-N 1 0 374.393 2.278 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530715778 562421673 /nfs/dbraw/zinc/42/16/73/562421673.db2.gz AHJDCVALUWNCDR-OLZOCXBDSA-N 1 0 361.398 2.065 20 5 FEBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000531775215 562456335 /nfs/dbraw/zinc/45/63/35/562456335.db2.gz DAONRAGINJQNSG-UHFFFAOYSA-N 1 0 361.398 2.329 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000531949679 562462437 /nfs/dbraw/zinc/46/24/37/562462437.db2.gz UXQUJOKWQGUYJL-UHFFFAOYSA-N 1 0 370.409 2.392 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000532202769 562470473 /nfs/dbraw/zinc/47/04/73/562470473.db2.gz ATKHDNBAHSYKQI-CYBMUJFWSA-N 1 0 374.441 2.303 20 5 FEBDRO C[NH+](C)CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000532922021 562492525 /nfs/dbraw/zinc/49/25/25/562492525.db2.gz FAELLDGWCUPTSL-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000533469333 562509983 /nfs/dbraw/zinc/50/99/83/562509983.db2.gz UOPYCOFWARGUPN-WMLDXEAASA-N 1 0 364.446 2.345 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000536828076 562581122 /nfs/dbraw/zinc/58/11/22/562581122.db2.gz QDYQHPNSGSCAHY-HUUCEWRRSA-N 1 0 367.471 2.432 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540827190 562593993 /nfs/dbraw/zinc/59/39/93/562593993.db2.gz IGQYXEZEEBAIKY-MRXNPFEDSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000568975455 568259948 /nfs/dbraw/zinc/25/99/48/568259948.db2.gz HHTYYOPYHUGAKO-CYBMUJFWSA-N 1 0 350.346 2.272 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000569361824 568396187 /nfs/dbraw/zinc/39/61/87/568396187.db2.gz VAFYAHOKGQXUHU-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569802228 568425827 /nfs/dbraw/zinc/42/58/27/568425827.db2.gz SFCFAYAXSXVVHA-ZDUSSCGKSA-N 1 0 357.414 2.220 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000569847466 568428402 /nfs/dbraw/zinc/42/84/02/568428402.db2.gz ZVANDQWQTYQUBQ-QGZVFWFLSA-N 1 0 370.409 2.100 20 5 FEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244578 568466015 /nfs/dbraw/zinc/46/60/15/568466015.db2.gz PVHYTGLHBVOAKD-UONOGXRCSA-N 1 0 367.471 2.450 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000563158644 568498499 /nfs/dbraw/zinc/49/84/99/568498499.db2.gz HSRHJYQPKLZOOC-BRWVUGGUSA-N 1 0 372.469 2.397 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925373 674428228 /nfs/dbraw/zinc/42/82/28/674428228.db2.gz RSQCPRCMSGNCFH-DOTOQJQBSA-N 1 0 367.471 2.376 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568617 607530923 /nfs/dbraw/zinc/53/09/23/607530923.db2.gz BCIXZOQBMXUNCW-BZNIZROVSA-N 1 0 354.370 2.159 20 5 FEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809815074 674511636 /nfs/dbraw/zinc/51/16/36/674511636.db2.gz OQANXRAHHQWUBE-UHFFFAOYSA-N 1 0 365.814 2.104 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821065692 606704661 /nfs/dbraw/zinc/70/46/61/606704661.db2.gz LXEKKKDGOIZEGI-GFCCVEGCSA-N 1 0 360.422 2.236 20 5 FEBDRO C[C@@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824669550 609316297 /nfs/dbraw/zinc/31/62/97/609316297.db2.gz DZQFKIQQXZQMGV-NEPJUHHUSA-N 1 0 372.433 2.235 20 5 FEBDRO CS(=O)(=O)C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000559858251 674558831 /nfs/dbraw/zinc/55/88/31/674558831.db2.gz UYXPCFGVGNSKJV-MRXNPFEDSA-N 1 0 351.428 2.031 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000562547039 674768517 /nfs/dbraw/zinc/76/85/17/674768517.db2.gz OZTXJGPCVJGJHV-CQSZACIVSA-N 1 0 364.789 2.382 20 5 FEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018450 674898060 /nfs/dbraw/zinc/89/80/60/674898060.db2.gz QBSFRIFGFXYWGN-BDAKNGLRSA-N 1 0 365.814 2.148 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000563574675 674910498 /nfs/dbraw/zinc/91/04/98/674910498.db2.gz SKHFAXVWVQNQNK-CQSZACIVSA-N 1 0 352.435 2.372 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000564131843 674976081 /nfs/dbraw/zinc/97/60/81/674976081.db2.gz ITADQHLQQFAQNK-UHFFFAOYSA-N 1 0 357.476 2.477 20 5 FEBDRO O=C(CNCc1cc([N+](=O)[O-])ccc1Cl)NCC[NH+]1CCCCCC1 ZINC000816620478 675068956 /nfs/dbraw/zinc/06/89/56/675068956.db2.gz XFUGSGFOBPIAOI-UHFFFAOYSA-N 1 0 368.865 2.330 20 5 FEBDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000041321909 670144626 /nfs/dbraw/zinc/14/46/26/670144626.db2.gz YTWFQEIKKDZFRN-GFCCVEGCSA-N 1 0 370.837 2.279 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000565109724 675095205 /nfs/dbraw/zinc/09/52/05/675095205.db2.gz KYNXURNBPOHXPB-UHFFFAOYSA-N 1 0 350.419 2.390 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000067121823 670453701 /nfs/dbraw/zinc/45/37/01/670453701.db2.gz FVHYPMIDIAODTE-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000565362937 675115224 /nfs/dbraw/zinc/11/52/24/675115224.db2.gz VKVGCCRVFOMMOS-INIZCTEOSA-N 1 0 361.423 2.150 20 5 FEBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452248 675122565 /nfs/dbraw/zinc/12/25/65/675122565.db2.gz ZRPDHFHQARHJOX-KCPJHIHWSA-N 1 0 356.444 2.018 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817419676 675131294 /nfs/dbraw/zinc/13/12/94/675131294.db2.gz JTWDVHVHEHZYRX-JTQLQIEISA-N 1 0 357.201 2.383 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000571282977 670848685 /nfs/dbraw/zinc/84/86/85/670848685.db2.gz CFWOYXFKWURXNI-IUCAKERBSA-N 1 0 359.329 2.062 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000571282978 670849057 /nfs/dbraw/zinc/84/90/57/670849057.db2.gz CFWOYXFKWURXNI-RKDXNWHRSA-N 1 0 359.329 2.062 20 5 FEBDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804827 671046057 /nfs/dbraw/zinc/04/60/57/671046057.db2.gz ZVKGMKDFMKLBKN-LBPRGKRZSA-N 1 0 364.183 2.306 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000566107659 675181306 /nfs/dbraw/zinc/18/13/06/675181306.db2.gz NMCMJBPRXKYAKM-HNNXBMFYSA-N 1 0 351.447 2.189 20 5 FEBDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000566117914 675183279 /nfs/dbraw/zinc/18/32/79/675183279.db2.gz YKFCMUOMQJYFAX-UHFFFAOYSA-N 1 0 364.423 2.475 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000575097280 671298179 /nfs/dbraw/zinc/29/81/79/671298179.db2.gz CKUSQCCFINYMQA-ZJUUUORDSA-N 1 0 354.204 2.039 20 5 FEBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575248219 671307513 /nfs/dbraw/zinc/30/75/13/671307513.db2.gz COUFWTWXDVARFZ-HOCLYGCPSA-N 1 0 352.822 2.417 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000576157205 671347932 /nfs/dbraw/zinc/34/79/32/671347932.db2.gz HOXKBNOMKQZJBP-LBPRGKRZSA-N 1 0 351.403 2.230 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cccc(F)c2)cc1 ZINC000576696085 671387383 /nfs/dbraw/zinc/38/73/83/671387383.db2.gz COOBZGOMIAIHQE-UHFFFAOYSA-N 1 0 352.387 2.340 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000576819511 671397006 /nfs/dbraw/zinc/39/70/06/671397006.db2.gz JTASHCMNLBZIDB-JSGCOSHPSA-N 1 0 355.460 2.260 20 5 FEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H](C)[N@H+]1C ZINC000577528219 671602353 /nfs/dbraw/zinc/60/23/53/671602353.db2.gz GKRJGJHFUFQERZ-BETUJISGSA-N 1 0 352.410 2.099 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609353344 675919848 /nfs/dbraw/zinc/91/98/48/675919848.db2.gz XVMBOETVHGYBIP-OKILXGFUSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609353497 675920246 /nfs/dbraw/zinc/92/02/46/675920246.db2.gz SHEXTMMLHBQHQB-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1ncc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000578350512 671658913 /nfs/dbraw/zinc/65/89/13/671658913.db2.gz PMENMYRUAJCWKL-CYBMUJFWSA-N 1 0 367.789 2.181 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793408 675936421 /nfs/dbraw/zinc/93/64/21/675936421.db2.gz PFAWEJMOCLWURQ-ZDUSSCGKSA-N 1 0 355.822 2.018 20 5 FEBDRO CO[C@]1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130255 671784623 /nfs/dbraw/zinc/78/46/23/671784623.db2.gz LJTNUXFMXDMHGE-GOEBONIOSA-N 1 0 356.444 2.162 20 5 FEBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580900060 671844671 /nfs/dbraw/zinc/84/46/71/671844671.db2.gz GCZAHSZMWVASRT-PSASIEDQSA-N 1 0 367.349 2.114 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000581040960 671857892 /nfs/dbraw/zinc/85/78/92/671857892.db2.gz XQSHMIDUGZJFJO-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000118119635 671883675 /nfs/dbraw/zinc/88/36/75/671883675.db2.gz REXKXSOZRVTOSL-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cs1 ZINC000119800070 671908993 /nfs/dbraw/zinc/90/89/93/671908993.db2.gz ZTNHCNHKSBCXDU-GFCCVEGCSA-N 1 0 359.473 2.295 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000610133761 675955905 /nfs/dbraw/zinc/95/59/05/675955905.db2.gz TWURPKONSDLKTE-STQMWFEESA-N 1 0 350.419 2.476 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135144 675956355 /nfs/dbraw/zinc/95/63/55/675956355.db2.gz KFRZMQVSKTWMGJ-ZIAGYGMSSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208722 675959153 /nfs/dbraw/zinc/95/91/53/675959153.db2.gz JJHJJGYOHGDFHU-OCCSQVGLSA-N 1 0 367.471 2.436 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000131540128 672089113 /nfs/dbraw/zinc/08/91/13/672089113.db2.gz CRZSDZHINYFWOP-HNNXBMFYSA-N 1 0 366.849 2.162 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639301 672125019 /nfs/dbraw/zinc/12/50/19/672125019.db2.gz AIXAUCRMMOSJGJ-STQMWFEESA-N 1 0 353.423 2.169 20 5 FEBDRO CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000159978667 672287528 /nfs/dbraw/zinc/28/75/28/672287528.db2.gz YBQGRNYKWGPIJW-KRWDZBQOSA-N 1 0 369.487 2.145 20 5 FEBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221797 672374465 /nfs/dbraw/zinc/37/44/65/672374465.db2.gz ZXTTUEVKHKQPJL-OAHLLOKOSA-N 1 0 351.451 2.200 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000591667313 672699022 /nfs/dbraw/zinc/69/90/22/672699022.db2.gz KOAUIKWDPQFGFD-CYBMUJFWSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc(Br)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591734792 672706262 /nfs/dbraw/zinc/70/62/62/672706262.db2.gz FEIGIRPASRQKIF-AWEZNQCLSA-N 1 0 369.219 2.013 20 5 FEBDRO CCOc1ccc(Cl)cc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591757278 672708476 /nfs/dbraw/zinc/70/84/76/672708476.db2.gz INTVIBIKBGYQMA-OAHLLOKOSA-N 1 0 368.821 2.037 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193959804 672742732 /nfs/dbraw/zinc/74/27/32/672742732.db2.gz ASIIYGMWEGIQKL-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356611 672791344 /nfs/dbraw/zinc/79/13/44/672791344.db2.gz ANFSNRSZWGVOGR-UWVGGRQHSA-N 1 0 363.399 2.441 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000250757008 672876377 /nfs/dbraw/zinc/87/63/77/672876377.db2.gz GIZMVFQZTPADJA-GXSJLCMTSA-N 1 0 357.208 2.027 20 5 FEBDRO COc1cc(C(=O)NCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000593210516 672892715 /nfs/dbraw/zinc/89/27/15/672892715.db2.gz WBKDMTHNLWQGAV-UHFFFAOYSA-N 1 0 353.419 2.320 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534727 672936296 /nfs/dbraw/zinc/93/62/96/672936296.db2.gz RJWZHERYLZHWSD-NFAWXSAZSA-N 1 0 368.459 2.016 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594017066 673021121 /nfs/dbraw/zinc/02/11/21/673021121.db2.gz PVLWSYDLMJSJSU-CYBMUJFWSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799276 673146841 /nfs/dbraw/zinc/14/68/41/673146841.db2.gz LMKURQAIJGLSEH-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594800465 673147548 /nfs/dbraw/zinc/14/75/48/673147548.db2.gz GBHDMAMYLWYLBZ-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595075202 673190859 /nfs/dbraw/zinc/19/08/59/673190859.db2.gz XHKQCQWTAKAUJO-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595113466 673195264 /nfs/dbraw/zinc/19/52/64/673195264.db2.gz OAEHNVYVWSDLKE-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595112968 673195296 /nfs/dbraw/zinc/19/52/96/673195296.db2.gz HUJYHOOXKVHQSZ-MRXNPFEDSA-N 1 0 367.471 2.136 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595114378 673195707 /nfs/dbraw/zinc/19/57/07/673195707.db2.gz YWCDYPDHGSCFHQ-CYBMUJFWSA-N 1 0 371.434 2.134 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000595115842 673195883 /nfs/dbraw/zinc/19/58/83/673195883.db2.gz LKSDZOMUAQINCB-INIZCTEOSA-N 1 0 367.471 2.136 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595346771 673228863 /nfs/dbraw/zinc/22/88/63/673228863.db2.gz WHTXSQHBIWYMLX-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681824 673243342 /nfs/dbraw/zinc/24/33/42/673243342.db2.gz KFPJMVNKXRMEBZ-LLVKDONJSA-N 1 0 363.336 2.338 20 5 FEBDRO CNS(=O)(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000595476753 673255950 /nfs/dbraw/zinc/25/59/50/673255950.db2.gz OSYSUKLNBPJLGI-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000732034444 673351284 /nfs/dbraw/zinc/35/12/84/673351284.db2.gz FWNBDYALJYIWSH-VIFPVBQESA-N 1 0 363.386 2.486 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000732037648 673351394 /nfs/dbraw/zinc/35/13/94/673351394.db2.gz CAGOQFHAFKDSFH-ZDUSSCGKSA-N 1 0 363.386 2.343 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596077327 673356657 /nfs/dbraw/zinc/35/66/57/673356657.db2.gz TWZBEBFIHFQXJR-ZDUSSCGKSA-N 1 0 370.475 2.166 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733154594 673400704 /nfs/dbraw/zinc/40/07/04/673400704.db2.gz RMPOSPJQNUKMKB-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000538116589 673422523 /nfs/dbraw/zinc/42/25/23/673422523.db2.gz MXUIZIQERGDMDC-KGLIPLIRSA-N 1 0 353.444 2.041 20 5 FEBDRO CSc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942236 673521809 /nfs/dbraw/zinc/52/18/09/673521809.db2.gz HXYPKWQPNNJGIN-ZDUSSCGKSA-N 1 0 368.503 2.319 20 5 FEBDRO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000597994448 673527868 /nfs/dbraw/zinc/52/78/68/673527868.db2.gz YPDIRVJOXBSQEI-SNVBAGLBSA-N 1 0 358.236 2.356 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540476418 673541419 /nfs/dbraw/zinc/54/14/19/673541419.db2.gz NMGHOXRSDQXYMF-IVSAIRAKSA-N 1 0 351.447 2.024 20 5 FEBDRO CCOc1cc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000598577078 673585709 /nfs/dbraw/zinc/58/57/09/673585709.db2.gz UZOLOVOWTJTXEJ-ZDUSSCGKSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598617354 673591012 /nfs/dbraw/zinc/59/10/12/673591012.db2.gz SCEJXCBRUBKZID-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1cc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c([N+](=O)[O-])cc1O ZINC000599005463 673628002 /nfs/dbraw/zinc/62/80/02/673628002.db2.gz AHIOTNMSSJFRNS-UHFFFAOYSA-N 1 0 351.403 2.047 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599622577 673698360 /nfs/dbraw/zinc/69/83/60/673698360.db2.gz LQFWZXBYTLXEMJ-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599667730 673704241 /nfs/dbraw/zinc/70/42/41/673704241.db2.gz IUEMUITUBUHUPU-CQSZACIVSA-N 1 0 352.410 2.207 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000544663219 673724415 /nfs/dbraw/zinc/72/44/15/673724415.db2.gz QEJGKINISKNRKJ-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Nc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600229947 673750260 /nfs/dbraw/zinc/75/02/60/673750260.db2.gz YQVRMEIZCNEGEG-ZDUSSCGKSA-N 1 0 350.394 2.453 20 5 FEBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808792 673800832 /nfs/dbraw/zinc/80/08/32/673800832.db2.gz QSZUWUNGCMBZSP-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601338501 673844548 /nfs/dbraw/zinc/84/45/48/673844548.db2.gz XMNBMJAIRSRAMX-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601356612 673847594 /nfs/dbraw/zinc/84/75/94/673847594.db2.gz SJPUQRBKWKVQIC-JQWIXIFHSA-N 1 0 361.489 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601414968 673858466 /nfs/dbraw/zinc/85/84/66/673858466.db2.gz NNAJXADLQCLGFZ-VXGBXAGGSA-N 1 0 359.473 2.212 20 5 FEBDRO CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(F)(F)F ZINC000602549412 673908103 /nfs/dbraw/zinc/90/81/03/673908103.db2.gz VGXBZIIKWQPNJR-UHFFFAOYSA-N 1 0 361.368 2.042 20 5 FEBDRO COCCc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000602637186 673909228 /nfs/dbraw/zinc/90/92/28/673909228.db2.gz MIVRTIQPXPNJNM-UHFFFAOYSA-N 1 0 351.432 2.274 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1 ZINC000602880477 673912764 /nfs/dbraw/zinc/91/27/64/673912764.db2.gz GGICSOMSKREBAG-QGZVFWFLSA-N 1 0 351.472 2.235 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602891182 673913237 /nfs/dbraw/zinc/91/32/37/673913237.db2.gz LUUIZPHFYVDJLS-IRXDYDNUSA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602891183 673913284 /nfs/dbraw/zinc/91/32/84/673913284.db2.gz LUUIZPHFYVDJLS-SJORKVTESA-N 1 0 350.415 2.273 20 5 FEBDRO COc1cc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891729 673913290 /nfs/dbraw/zinc/91/32/90/673913290.db2.gz OKWJRODJJBOHEF-DOTOQJQBSA-N 1 0 350.415 2.403 20 5 FEBDRO CNc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000548188485 673931565 /nfs/dbraw/zinc/93/15/65/673931565.db2.gz HQUSRRHGOJFWHU-CVEARBPZSA-N 1 0 364.471 2.288 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000566494162 675218998 /nfs/dbraw/zinc/21/89/98/675218998.db2.gz LMYYSSNHBZNMGK-GFCCVEGCSA-N 1 0 359.423 2.133 20 5 FEBDRO Cc1c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818589586 675226472 /nfs/dbraw/zinc/22/64/72/675226472.db2.gz DLRQHXQQDDPXLV-OLXJLDBKSA-N 1 0 350.375 2.236 20 5 FEBDRO COCC1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000818591854 675226509 /nfs/dbraw/zinc/22/65/09/675226509.db2.gz ZDCDOCMNLVCPEV-UHFFFAOYSA-N 1 0 373.812 2.062 20 5 FEBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850652 675247641 /nfs/dbraw/zinc/24/76/41/675247641.db2.gz MNWNWQUTYKKQSV-OWCLPIDISA-N 1 0 351.447 2.045 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000818981059 675249467 /nfs/dbraw/zinc/24/94/67/675249467.db2.gz NTIWENSMTILQBD-KRWDZBQOSA-N 1 0 364.423 2.082 20 5 FEBDRO CCN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000819007346 675252242 /nfs/dbraw/zinc/25/22/42/675252242.db2.gz WKNYFHNEMJSVSQ-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO COc1ccc([C@H](C[NH3+])Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000566971470 675257066 /nfs/dbraw/zinc/25/70/66/675257066.db2.gz QAEGFSDYXGOEJN-SNVBAGLBSA-N 1 0 355.192 2.305 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225034 675271440 /nfs/dbraw/zinc/27/14/40/675271440.db2.gz SIHIOTIFNWCZNO-MBVDDHJVSA-N 1 0 351.403 2.299 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000819246670 675273877 /nfs/dbraw/zinc/27/38/77/675273877.db2.gz ONGRFBJREOFJES-OAHLLOKOSA-N 1 0 361.364 2.492 20 5 FEBDRO CCN(CCC[NH+](C)C)c1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000819931886 675325363 /nfs/dbraw/zinc/32/53/63/675325363.db2.gz VCUNTVSDDQDPPB-UHFFFAOYSA-N 1 0 354.363 2.068 20 5 FEBDRO CN(C[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000822717960 675502511 /nfs/dbraw/zinc/50/25/11/675502511.db2.gz VXRMNHQMBPTEEB-HNNXBMFYSA-N 1 0 353.419 2.254 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000827291838 675745906 /nfs/dbraw/zinc/74/59/06/675745906.db2.gz XHEDFCDQPIWSDH-GXFFZTMASA-N 1 0 355.341 2.362 20 5 FEBDRO C[NH+](C)C1(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CCCCCC1 ZINC000603929508 675802049 /nfs/dbraw/zinc/80/20/49/675802049.db2.gz ORXXLKWMSKSMEW-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000619251732 676368840 /nfs/dbraw/zinc/36/88/40/676368840.db2.gz OGCSIENDUCQBBV-UHFFFAOYSA-N 1 0 368.231 2.064 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000619871985 676398029 /nfs/dbraw/zinc/39/80/29/676398029.db2.gz QIGGCHKQSIAFHS-ZDUSSCGKSA-N 1 0 353.444 2.292 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1Cl ZINC000839164570 680742306 /nfs/dbraw/zinc/74/23/06/680742306.db2.gz AUMBJMMKGHSGOR-UHFFFAOYSA-N 1 0 369.849 2.219 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000839488143 680756100 /nfs/dbraw/zinc/75/61/00/680756100.db2.gz YHCPDGNEUUMKCD-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO C[N@H+](C[C@@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653682 680769215 /nfs/dbraw/zinc/76/92/15/680769215.db2.gz BZKKIOBWAWVGFN-HZMBPMFUSA-N 1 0 365.327 2.382 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000749999857 680094562 /nfs/dbraw/zinc/09/45/62/680094562.db2.gz MKDNBRGKAONFAJ-CYBMUJFWSA-N 1 0 366.849 2.100 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140025 680100954 /nfs/dbraw/zinc/10/09/54/680100954.db2.gz VAPWAMSMZHLONA-HKUMRIAESA-N 1 0 358.225 2.395 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000833226085 680190990 /nfs/dbraw/zinc/19/09/90/680190990.db2.gz JOKKPORXXQXERS-VIFPVBQESA-N 1 0 356.810 2.134 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000834853848 680277689 /nfs/dbraw/zinc/27/76/89/680277689.db2.gz MYMOFWUHDUPUOQ-NSHDSACASA-N 1 0 353.806 2.076 20 5 FEBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000754539056 680362133 /nfs/dbraw/zinc/36/21/33/680362133.db2.gz LVRJYQNOSGFXSR-LBPRGKRZSA-N 1 0 355.778 2.118 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000997772226 680365877 /nfs/dbraw/zinc/36/58/77/680365877.db2.gz MLMAGALGOWOLLQ-GDBMZVCRSA-N 1 0 369.824 2.473 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000997772033 680365913 /nfs/dbraw/zinc/36/59/13/680365913.db2.gz KNOYUUAABXPMGM-MLGOLLRUSA-N 1 0 369.824 2.473 20 5 FEBDRO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424865 680446817 /nfs/dbraw/zinc/44/68/17/680446817.db2.gz BOPIDKRKBCLPEE-HZPDHXFCSA-N 1 0 351.834 2.428 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000912320934 685352412 /nfs/dbraw/zinc/35/24/12/685352412.db2.gz FKMYDJCEPGYDQT-UHFFFAOYSA-N 1 0 368.231 2.206 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000758267223 680566782 /nfs/dbraw/zinc/56/67/82/680566782.db2.gz XCKBCYYTTHPFAA-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000838150785 680676252 /nfs/dbraw/zinc/67/62/52/680676252.db2.gz YGXPIUAIMJBGPC-LBPRGKRZSA-N 1 0 352.410 2.262 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162271 680866900 /nfs/dbraw/zinc/86/69/00/680866900.db2.gz RVLUPESSPDGCAZ-KCJUWKMLSA-N 1 0 357.208 2.477 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767689796 680922263 /nfs/dbraw/zinc/92/22/63/680922263.db2.gz PDAIVSABAFMHGV-HOTGVXAUSA-N 1 0 364.471 2.259 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842701728 680960550 /nfs/dbraw/zinc/96/05/50/680960550.db2.gz VQPGGJRICLMSCP-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768839338 680960641 /nfs/dbraw/zinc/96/06/41/680960641.db2.gz QCPKFYKXUBBBBF-UHFFFAOYSA-N 1 0 361.489 2.397 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1[N+](=O)[O-] ZINC000842795519 680967406 /nfs/dbraw/zinc/96/74/06/680967406.db2.gz RJHRCNKWZWVKOE-UHFFFAOYSA-N 1 0 359.835 2.105 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000842837978 680970754 /nfs/dbraw/zinc/97/07/54/680970754.db2.gz CXRMRCRDUWFWOB-NSHDSACASA-N 1 0 361.851 2.306 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769301347 680977092 /nfs/dbraw/zinc/97/70/92/680977092.db2.gz NJZOUJMOFKTPOS-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000769396040 680980857 /nfs/dbraw/zinc/98/08/57/680980857.db2.gz UQGFVZICYZGHIR-UHFFFAOYSA-N 1 0 359.373 2.086 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843363138 680999768 /nfs/dbraw/zinc/99/97/68/680999768.db2.gz ODGCDTMHYRYLQC-QYJAPNMZSA-N 1 0 352.822 2.402 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775812909 681338000 /nfs/dbraw/zinc/33/80/00/681338000.db2.gz DFYCVAGXBLXNMT-KGLIPLIRSA-N 1 0 351.403 2.430 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933059937 681356191 /nfs/dbraw/zinc/35/61/91/681356191.db2.gz CMSPMHXCKYYLNP-INIZCTEOSA-N 1 0 350.415 2.499 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776274331 681378394 /nfs/dbraw/zinc/37/83/94/681378394.db2.gz GXNOGRBEBNOURY-JKIFEVAISA-N 1 0 351.447 2.106 20 5 FEBDRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776809533 681437966 /nfs/dbraw/zinc/43/79/66/681437966.db2.gz FBKHRINLJLJLST-BLLLJJGKSA-N 1 0 351.403 2.085 20 5 FEBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000777799886 681531342 /nfs/dbraw/zinc/53/13/42/681531342.db2.gz URUNVTFVOZEWBI-GHMZBOCLSA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000777998907 681554836 /nfs/dbraw/zinc/55/48/36/681554836.db2.gz FZXWSILVEALQLK-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000935112653 681690253 /nfs/dbraw/zinc/69/02/53/681690253.db2.gz GDTCOQDAGIWRAE-HUUCEWRRSA-N 1 0 355.435 2.171 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849420113 681726058 /nfs/dbraw/zinc/72/60/58/681726058.db2.gz RBWHUWFQJQPYMV-NSHDSACASA-N 1 0 361.851 2.399 20 5 FEBDRO CC(C)N(CC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781748491 681969039 /nfs/dbraw/zinc/96/90/39/681969039.db2.gz YJDDTFASYIYRNW-UHFFFAOYSA-N 1 0 352.391 2.234 20 5 FEBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000781973623 681994055 /nfs/dbraw/zinc/99/40/55/681994055.db2.gz JLGLHVAHZMRQHW-UHFFFAOYSA-N 1 0 353.423 2.171 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000915297527 685514065 /nfs/dbraw/zinc/51/40/65/685514065.db2.gz PBYAZPGVJYQHIM-VXGBXAGGSA-N 1 0 350.375 2.496 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000782482592 682047573 /nfs/dbraw/zinc/04/75/73/682047573.db2.gz KSJSUAWVTVIDHH-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO CC(C)(NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000915846089 685518883 /nfs/dbraw/zinc/51/88/83/685518883.db2.gz SNOUGJBTWYWBMP-KRWDZBQOSA-N 1 0 367.471 2.235 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000783651300 682162954 /nfs/dbraw/zinc/16/29/54/682162954.db2.gz CBHODVMBYRIDBR-IUODEOHRSA-N 1 0 374.846 2.074 20 5 FEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000852166963 682231337 /nfs/dbraw/zinc/23/13/37/682231337.db2.gz KOARAXIMIJPVAX-ZDUSSCGKSA-N 1 0 352.410 2.479 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917656174 685533627 /nfs/dbraw/zinc/53/36/27/685533627.db2.gz XOSXWZVGGJKKOP-NWDGAFQWSA-N 1 0 373.862 2.462 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918352048 685538674 /nfs/dbraw/zinc/53/86/74/685538674.db2.gz RMMWLRCXELWLEU-GJZGRUSLSA-N 1 0 373.862 2.211 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853447201 682414142 /nfs/dbraw/zinc/41/41/42/682414142.db2.gz KIFVZGRQHXDMQR-UHFFFAOYSA-N 1 0 356.373 2.133 20 5 FEBDRO CCOC(=O)c1cc(C(=O)OCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000787984300 682495237 /nfs/dbraw/zinc/49/52/37/682495237.db2.gz XZJNVOYQAOEBNT-UHFFFAOYSA-N 1 0 350.371 2.414 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000788913354 682565515 /nfs/dbraw/zinc/56/55/15/682565515.db2.gz NWFFQQJOTFOANE-DGCLKSJQSA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000854643862 682574391 /nfs/dbraw/zinc/57/43/91/682574391.db2.gz ZJDMWAVLHSNAOO-GOEBONIOSA-N 1 0 367.833 2.492 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855164182 682634371 /nfs/dbraw/zinc/63/43/71/682634371.db2.gz JDUQZZYUIFWLLU-VIFPVBQESA-N 1 0 371.235 2.355 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000791354375 682737359 /nfs/dbraw/zinc/73/73/59/682737359.db2.gz ZZSPSQFXSNUYNQ-UHFFFAOYSA-N 1 0 352.410 2.404 20 5 FEBDRO C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000856763974 682807671 /nfs/dbraw/zinc/80/76/71/682807671.db2.gz MAYUALSNMHYZNW-PHIMTYICSA-N 1 0 358.236 2.249 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857303924 682874768 /nfs/dbraw/zinc/87/47/68/682874768.db2.gz AYYNDXNFRFVZFO-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO O=C(N1CCC2(C1)CC[NH2+]CC2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767323 682911086 /nfs/dbraw/zinc/91/10/86/682911086.db2.gz ANNBYHKETUGNFC-UHFFFAOYSA-N 1 0 355.341 2.169 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857768058 682911195 /nfs/dbraw/zinc/91/11/95/682911195.db2.gz LMHIABUOCPSKMR-HAQNSBGRSA-N 1 0 357.357 2.448 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000858619049 682985667 /nfs/dbraw/zinc/98/56/67/682985667.db2.gz JVIUEAJNFZIKFU-CYBMUJFWSA-N 1 0 359.835 2.120 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000858687320 682992972 /nfs/dbraw/zinc/99/29/72/682992972.db2.gz CVQPHFSSQIFLBQ-LBPRGKRZSA-N 1 0 371.235 2.109 20 5 FEBDRO Cc1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1Br ZINC000798216487 683322306 /nfs/dbraw/zinc/32/23/06/683322306.db2.gz QETRNYOJGATYGJ-UHFFFAOYSA-N 1 0 358.236 2.170 20 5 FEBDRO CCO[C@H](CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000921334596 683429059 /nfs/dbraw/zinc/42/90/59/683429059.db2.gz OSAFFUCAWLREJV-CVEARBPZSA-N 1 0 352.435 2.312 20 5 FEBDRO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000928438449 683451774 /nfs/dbraw/zinc/45/17/74/683451774.db2.gz JXLISZQOJFBOOE-OIBJUYFYSA-N 1 0 360.183 2.319 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928446099 683453246 /nfs/dbraw/zinc/45/32/46/683453246.db2.gz VDHVHERKRCQDQE-RISCZKNCSA-N 1 0 353.444 2.156 20 5 FEBDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000922455624 683726776 /nfs/dbraw/zinc/72/67/76/683726776.db2.gz FNVYVBFTOZIXDN-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000930715030 683775002 /nfs/dbraw/zinc/77/50/02/683775002.db2.gz MTLURBAGGDVVLV-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO COc1cc(C[NH2+][C@H]2C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000923007375 683818393 /nfs/dbraw/zinc/81/83/93/683818393.db2.gz LJEMCDDYIQQTJK-HOMQSWHASA-N 1 0 364.320 2.405 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865531513 683994291 /nfs/dbraw/zinc/99/42/91/683994291.db2.gz NRZMJDWORWHWQX-UHFFFAOYSA-N 1 0 356.373 2.497 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000865789644 684029004 /nfs/dbraw/zinc/02/90/04/684029004.db2.gz LHXXBFMJJMSMDJ-ZDUSSCGKSA-N 1 0 351.378 2.107 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866271473 684087280 /nfs/dbraw/zinc/08/72/80/684087280.db2.gz LUDODQZBGSXOPQ-LLVKDONJSA-N 1 0 370.247 2.358 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866832100 684163307 /nfs/dbraw/zinc/16/33/07/684163307.db2.gz YLXPJCJECFCUQY-QWHCGFSZSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000867373764 684262345 /nfs/dbraw/zinc/26/23/45/684262345.db2.gz RIHVDMMZOKLLPI-LBPRGKRZSA-N 1 0 359.423 2.146 20 5 FEBDRO C[NH+](C)CC1(O)CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000931481248 684289982 /nfs/dbraw/zinc/28/99/82/684289982.db2.gz ODTYSSJVFSZQJQ-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923537270 684301177 /nfs/dbraw/zinc/30/11/77/684301177.db2.gz VESLRWNBWNXJSW-MRXNPFEDSA-N 1 0 352.822 2.405 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931610391 684312871 /nfs/dbraw/zinc/31/28/71/684312871.db2.gz ONWHGMJRCCYXFW-ZDUSSCGKSA-N 1 0 352.366 2.109 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000867618597 684333443 /nfs/dbraw/zinc/33/34/43/684333443.db2.gz FHLZLIVSJCDUJC-UHFFFAOYSA-N 1 0 353.444 2.091 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923730708 684341330 /nfs/dbraw/zinc/34/13/30/684341330.db2.gz HKWSVPMLLONWJQ-MRXNPFEDSA-N 1 0 353.444 2.064 20 5 FEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000931898173 684366694 /nfs/dbraw/zinc/36/66/94/684366694.db2.gz ZYKISKNBPVYQHW-UHFFFAOYSA-N 1 0 371.235 2.107 20 5 FEBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867743812 684370254 /nfs/dbraw/zinc/37/02/54/684370254.db2.gz HTQQQCZVRVGFMP-UHFFFAOYSA-N 1 0 359.423 2.275 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813576 684397478 /nfs/dbraw/zinc/39/74/78/684397478.db2.gz XYJVRVAEFGTUPX-YPMHNXCESA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000868007111 684438363 /nfs/dbraw/zinc/43/83/63/684438363.db2.gz JLENTURCVLCHHW-SECBINFHSA-N 1 0 356.220 2.475 20 5 FEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000925245824 684543808 /nfs/dbraw/zinc/54/38/08/684543808.db2.gz UWTKLGKTLCIYOJ-KCXAZCMYSA-N 1 0 350.419 2.016 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC23CCOCC3)cc1 ZINC000872228321 684929629 /nfs/dbraw/zinc/92/96/29/684929629.db2.gz DEWXFKUUQONTBV-CQSZACIVSA-N 1 0 368.455 2.165 20 5 FEBDRO Cc1cc(N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872656053 684997419 /nfs/dbraw/zinc/99/74/19/684997419.db2.gz RCTWCKWSNULOSG-STQMWFEESA-N 1 0 361.423 2.322 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872661846 684999036 /nfs/dbraw/zinc/99/90/36/684999036.db2.gz DEKDQFXSGYSFBU-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(F)(F)F ZINC000877368511 686366374 /nfs/dbraw/zinc/36/63/74/686366374.db2.gz UVVXFAMNCJOMAD-XVKPBYJWSA-N 1 0 351.712 2.457 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877395341 686371806 /nfs/dbraw/zinc/37/18/06/686371806.db2.gz XRHGQEJLVRAUTC-HIFRSBDPSA-N 1 0 368.231 2.301 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C(C)C ZINC000878629110 686623682 /nfs/dbraw/zinc/62/36/82/686623682.db2.gz BHXUJQRTLBPWKR-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CC[C@@H]1COCCN1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899538 686686471 /nfs/dbraw/zinc/68/64/71/686686471.db2.gz KNMHUMXUOGZFFC-CQSZACIVSA-N 1 0 350.419 2.444 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768769 687480125 /nfs/dbraw/zinc/48/01/25/687480125.db2.gz RNKPHARQHMRALY-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883374673 687618286 /nfs/dbraw/zinc/61/82/86/687618286.db2.gz LPABJOZZTKZDFW-DTZQCDIJSA-N 1 0 352.456 2.471 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000885457027 688077809 /nfs/dbraw/zinc/07/78/09/688077809.db2.gz KQPHVIKCGCPUKO-CVEARBPZSA-N 1 0 367.471 2.026 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885858016 688170284 /nfs/dbraw/zinc/17/02/84/688170284.db2.gz KABRIFHBMSOAFH-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885858014 688170526 /nfs/dbraw/zinc/17/05/26/688170526.db2.gz KABRIFHBMSOAFH-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886321194 688230928 /nfs/dbraw/zinc/23/09/28/688230928.db2.gz WHCHIKUEWCUTDT-UKTHLTGXSA-N 1 0 353.444 2.012 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886739226 688299550 /nfs/dbraw/zinc/29/95/50/688299550.db2.gz SVTCMDCVWVDUQB-NSHDSACASA-N 1 0 373.500 2.391 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000886900823 688336951 /nfs/dbraw/zinc/33/69/51/688336951.db2.gz IUABZQSYPIGHJF-MRXNPFEDSA-N 1 0 371.434 2.197 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751772 688816568 /nfs/dbraw/zinc/81/65/68/688816568.db2.gz SBZRYNLAPQVGJO-GJZGRUSLSA-N 1 0 367.833 2.228 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892090114 689148417 /nfs/dbraw/zinc/14/84/17/689148417.db2.gz DEPKWXBVFPNFQD-BXKDBHETSA-N 1 0 371.235 2.155 20 5 FEBDRO C[C@H](O)C[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC000892315554 689178682 /nfs/dbraw/zinc/17/86/82/689178682.db2.gz OTNQRCSWIFLDEI-NSHDSACASA-N 1 0 350.806 2.299 20 5 FEBDRO CC[N@H+](CCO)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897416205 690020258 /nfs/dbraw/zinc/02/02/58/690020258.db2.gz SIWPBGHGFKKOAC-UHFFFAOYSA-N 1 0 368.192 2.085 20 5 FEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000898630063 690219665 /nfs/dbraw/zinc/21/96/65/690219665.db2.gz BUFDDVDFVCGUMS-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901058704 690606230 /nfs/dbraw/zinc/60/62/30/690606230.db2.gz XJPIYYQAUZGUOS-GFCCVEGCSA-N 1 0 371.796 2.370 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000905424336 691116990 /nfs/dbraw/zinc/11/69/90/691116990.db2.gz DEISBQMZJYRHIJ-IRXDYDNUSA-N 1 0 350.415 2.194 20 5 FEBDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905425691 691117389 /nfs/dbraw/zinc/11/73/89/691117389.db2.gz ADKVECNDPFEGJZ-CYBMUJFWSA-N 1 0 361.236 2.480 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000905598711 691149068 /nfs/dbraw/zinc/14/90/68/691149068.db2.gz WTIDTBCHRFDWRX-HUUCEWRRSA-N 1 0 350.415 2.416 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907782075 691559587 /nfs/dbraw/zinc/55/95/87/691559587.db2.gz ZIRKQRYALUGLKH-KRWDZBQOSA-N 1 0 369.849 2.096 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)cnc1Cl ZINC001164402689 718860990 /nfs/dbraw/zinc/86/09/90/718860990.db2.gz LGIDOCXBYDXKEI-SKDRFNHKSA-N 1 0 362.764 2.003 20 5 FEBDRO CCOc1nc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001164682070 719632982 /nfs/dbraw/zinc/63/29/82/719632982.db2.gz LTIWMAIXKYJAJX-UHFFFAOYSA-N 1 0 374.445 2.060 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807994 720087180 /nfs/dbraw/zinc/08/71/80/720087180.db2.gz GUMQKKPBRVQHLY-KSSFIOAISA-N 1 0 364.421 2.314 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)nc1Cl ZINC001164727942 720511523 /nfs/dbraw/zinc/51/15/23/720511523.db2.gz FCFRUHJRIXLKEU-LBPRGKRZSA-N 1 0 364.837 2.346 20 5 FEBDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC001164863152 721016207 /nfs/dbraw/zinc/01/62/07/721016207.db2.gz UBQCPHKFFBUIDY-CYBMUJFWSA-N 1 0 359.434 2.311 20 5 FEBDRO Nc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164909332 721541496 /nfs/dbraw/zinc/54/14/96/721541496.db2.gz RMJSKYNZDCGVNW-ZFWWWQNUSA-N 1 0 373.388 2.053 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473510049 887209481 /nfs/dbraw/zinc/20/94/81/887209481.db2.gz FCHDQFOQBUSTBI-MRXNPFEDSA-N 1 0 371.441 2.498 20 5 FEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834794 889257902 /nfs/dbraw/zinc/25/79/02/889257902.db2.gz UYXMBEMSOICVLV-WCQYABFASA-N 1 0 361.402 2.484 20 5 FEBDRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000012612770 539567567 /nfs/dbraw/zinc/56/75/67/539567567.db2.gz GEDMWEAWYTXIFT-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO Cc1cccc(C[NH+]2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000027358546 539805798 /nfs/dbraw/zinc/80/57/98/539805798.db2.gz DYTKXMOQECRDNG-UHFFFAOYSA-N 1 0 368.437 2.320 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccsc1 ZINC000031985867 539925346 /nfs/dbraw/zinc/92/53/46/539925346.db2.gz MFSRSSOCMOSNDJ-CQSZACIVSA-N 1 0 364.427 2.158 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441116 539939518 /nfs/dbraw/zinc/93/95/18/539939518.db2.gz ISYLGAQFYKQYQX-QWHCGFSZSA-N 1 0 371.459 2.145 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041443357 540021867 /nfs/dbraw/zinc/02/18/67/540021867.db2.gz BDKGWLCYPYYKAN-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000041644052 540028466 /nfs/dbraw/zinc/02/84/66/540028466.db2.gz GGZSIXXPZDXOGP-UONOGXRCSA-N 1 0 362.430 2.221 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000041651444 540029653 /nfs/dbraw/zinc/02/96/53/540029653.db2.gz JUHDRTIKAOMDCG-JSGCOSHPSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000041669652 540030452 /nfs/dbraw/zinc/03/04/52/540030452.db2.gz CDMOPNWGUBNQIB-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000042590777 540068640 /nfs/dbraw/zinc/06/86/40/540068640.db2.gz OGBHGEKBVQESMO-UHFFFAOYSA-N 1 0 362.474 2.260 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000044533790 540129770 /nfs/dbraw/zinc/12/97/70/540129770.db2.gz FFHRVZLVRDKZEE-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CCNC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000046502764 540260450 /nfs/dbraw/zinc/26/04/50/540260450.db2.gz XNOFMTCQTXLLJT-UHFFFAOYSA-N 1 0 374.363 2.262 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000046948019 540278961 /nfs/dbraw/zinc/27/89/61/540278961.db2.gz WYMIAWGTTAZDCP-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+]1CCCC1 ZINC000047920115 540334414 /nfs/dbraw/zinc/33/44/14/540334414.db2.gz GZBTVAIWOBMSGL-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000051236051 540427973 /nfs/dbraw/zinc/42/79/73/540427973.db2.gz YGNBWQGXWPCBFH-UHFFFAOYSA-N 1 0 361.446 2.275 20 5 FEBDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000053990307 540562779 /nfs/dbraw/zinc/56/27/79/540562779.db2.gz YBAINUIBTONMKH-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000054645367 540599998 /nfs/dbraw/zinc/59/99/98/540599998.db2.gz CKKKZFMZDYGOIG-UHFFFAOYSA-N 1 0 355.398 2.064 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166593 540774377 /nfs/dbraw/zinc/77/43/77/540774377.db2.gz JTJPSUKAXQDXJL-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000057843593 540819091 /nfs/dbraw/zinc/81/90/91/540819091.db2.gz PIHFIZPWCHEMAD-CYBMUJFWSA-N 1 0 363.439 2.478 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000058176274 540831425 /nfs/dbraw/zinc/83/14/25/540831425.db2.gz YSHWIIDCCSFYMN-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648181 541137119 /nfs/dbraw/zinc/13/71/19/541137119.db2.gz FTWCGBONJSPBDD-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063574754 541174124 /nfs/dbraw/zinc/17/41/24/541174124.db2.gz LVXOOWZVYMOENS-AEFFLSMTSA-N 1 0 369.425 2.324 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000063656486 541177542 /nfs/dbraw/zinc/17/75/42/541177542.db2.gz ZBINQUKSIAJZLE-UHFFFAOYSA-N 1 0 353.394 2.446 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000065791701 541261872 /nfs/dbraw/zinc/26/18/72/541261872.db2.gz PORLUSQUSWMDMY-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO CC[N@H+](C)CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000066373534 541309466 /nfs/dbraw/zinc/30/94/66/541309466.db2.gz BLBCYDHJFZQGQX-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066630144 541350989 /nfs/dbraw/zinc/35/09/89/541350989.db2.gz JLHCYYFASSPPFO-QWHCGFSZSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000067825333 541517423 /nfs/dbraw/zinc/51/74/23/541517423.db2.gz RWKNZQZNHQVJGI-RDJZCZTQSA-N 1 0 369.425 2.243 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068311652 541575175 /nfs/dbraw/zinc/57/51/75/541575175.db2.gz XAMYQIIBPDSENJ-HNNXBMFYSA-N 1 0 363.414 2.023 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068391025 541585547 /nfs/dbraw/zinc/58/55/47/541585547.db2.gz PLLFPRLIAVEXTL-NSHDSACASA-N 1 0 351.432 2.365 20 5 FEBDRO C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000068901937 541638696 /nfs/dbraw/zinc/63/86/96/541638696.db2.gz TWCSMNDYCSPLFJ-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1OC ZINC000069138635 541662470 /nfs/dbraw/zinc/66/24/70/541662470.db2.gz NACJPAVFUKNZJV-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069423895 541685674 /nfs/dbraw/zinc/68/56/74/541685674.db2.gz BREWBIMWCBAEOT-LSDHHAIUSA-N 1 0 364.446 2.393 20 5 FEBDRO CC(C)[NH+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000070871523 541747713 /nfs/dbraw/zinc/74/77/13/541747713.db2.gz VUYOFSLWWFUCRC-UHFFFAOYSA-N 1 0 351.403 2.215 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072796359 541866376 /nfs/dbraw/zinc/86/63/76/541866376.db2.gz JRMHHBLBHAOSKQ-OAHLLOKOSA-N 1 0 365.430 2.217 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858552 541882881 /nfs/dbraw/zinc/88/28/81/541882881.db2.gz UKZWMTNTPUVWTF-CQSZACIVSA-N 1 0 362.430 2.166 20 5 FEBDRO CC(C)[NH+](CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000072936582 541894785 /nfs/dbraw/zinc/89/47/85/541894785.db2.gz XNQOSHDLVQKHTQ-UHFFFAOYSA-N 1 0 365.430 2.144 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447268 542084907 /nfs/dbraw/zinc/08/49/07/542084907.db2.gz GTRHTPBJJHAGHT-OAHLLOKOSA-N 1 0 357.414 2.363 20 5 FEBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000076751999 542321184 /nfs/dbraw/zinc/32/11/84/542321184.db2.gz RHWAVXWSDKRRDI-UHFFFAOYSA-N 1 0 360.458 2.413 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000077819841 542423718 /nfs/dbraw/zinc/42/37/18/542423718.db2.gz XWLJSDMTEIDONY-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO COC(=O)c1cc(C(=O)NCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000045574710 220972322 /nfs/dbraw/zinc/97/23/22/220972322.db2.gz IPAYOMQKUVLWQJ-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079776165 542541776 /nfs/dbraw/zinc/54/17/76/542541776.db2.gz WSGCRCAMZDGNOX-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000081017209 542624885 /nfs/dbraw/zinc/62/48/85/542624885.db2.gz HEGJZEUHDQXHEI-UHFFFAOYSA-N 1 0 371.441 2.253 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000085857440 542733404 /nfs/dbraw/zinc/73/34/04/542733404.db2.gz VJOJOIMOJLAFBV-ZWKOTPCHSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089960001 542776845 /nfs/dbraw/zinc/77/68/45/542776845.db2.gz ITDNAKQUSUVSPN-RBUKOAKNSA-N 1 0 369.421 2.268 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000090819565 542788376 /nfs/dbraw/zinc/78/83/76/542788376.db2.gz KJFMMYGJWNRKIF-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247423758 549332846 /nfs/dbraw/zinc/33/28/46/549332846.db2.gz OEUNFMUHNOSKBY-QMTHXVAHSA-N 1 0 350.375 2.224 20 5 FEBDRO CC(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093821186 542942050 /nfs/dbraw/zinc/94/20/50/542942050.db2.gz UASFBJYLBTXVMX-SFHVURJKSA-N 1 0 374.485 2.457 20 5 FEBDRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC000053744294 136124993 /nfs/dbraw/zinc/12/49/93/136124993.db2.gz SLLWPQOXIGPTGK-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000101518349 543027546 /nfs/dbraw/zinc/02/75/46/543027546.db2.gz HNWIRWKNQSDRHV-UHFFFAOYSA-N 1 0 369.393 2.079 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490212 543071780 /nfs/dbraw/zinc/07/17/80/543071780.db2.gz ZXXAEULTSCGFPQ-CYBMUJFWSA-N 1 0 351.451 2.153 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748830 543141504 /nfs/dbraw/zinc/14/15/04/543141504.db2.gz IEPXHPQBFBYGIB-NSHDSACASA-N 1 0 361.851 2.129 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000108340725 543287031 /nfs/dbraw/zinc/28/70/31/543287031.db2.gz JQCCICKKCSXBDQ-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)CC(C)(C)C ZINC000109747707 543335900 /nfs/dbraw/zinc/33/59/00/543335900.db2.gz SWZAQTQBNNRPAD-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751215 543336239 /nfs/dbraw/zinc/33/62/39/543336239.db2.gz UONASYNDYQMCIK-GOSISDBHSA-N 1 0 362.474 2.076 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000109848807 543341997 /nfs/dbraw/zinc/34/19/97/543341997.db2.gz DJBIMYJGBQFRHP-LLVKDONJSA-N 1 0 374.363 2.484 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000110487915 543359279 /nfs/dbraw/zinc/35/92/79/543359279.db2.gz PEDWXELGEKXAGS-UHFFFAOYSA-N 1 0 361.402 2.220 20 5 FEBDRO Nc1c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000112919056 543468919 /nfs/dbraw/zinc/46/89/19/543468919.db2.gz FHWPRCXVVYFOJW-UHFFFAOYSA-N 1 0 350.394 2.264 20 5 FEBDRO CNC(=O)CC[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000114215993 543508152 /nfs/dbraw/zinc/50/81/52/543508152.db2.gz RPLVMAGFGGHJCN-UHFFFAOYSA-N 1 0 373.409 2.408 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115432660 543566861 /nfs/dbraw/zinc/56/68/61/543566861.db2.gz WGQIDUMTCQHGLR-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO C[NH+](C)Cc1cc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1F ZINC000115880402 543592515 /nfs/dbraw/zinc/59/25/15/543592515.db2.gz GDZGTYXVYUKVBA-UHFFFAOYSA-N 1 0 374.372 2.050 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000123011547 543737572 /nfs/dbraw/zinc/73/75/72/543737572.db2.gz BQBSWLFZMPOSQW-UHFFFAOYSA-N 1 0 374.397 2.025 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000124407877 543819445 /nfs/dbraw/zinc/81/94/45/543819445.db2.gz OWVNHCURBOAARH-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(CC[NH+]1CCN(Cc2ccncc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000124504603 543826514 /nfs/dbraw/zinc/82/65/14/543826514.db2.gz BCJFAGZVBQAKJW-UHFFFAOYSA-N 1 0 369.425 2.136 20 5 FEBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000125479485 543883991 /nfs/dbraw/zinc/88/39/91/543883991.db2.gz PXFZXNKLTNEPBO-UKRRQHHQSA-N 1 0 371.397 2.135 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000126941120 543964866 /nfs/dbraw/zinc/96/48/66/543964866.db2.gz IGIWKGGMAUFTJU-ZDUSSCGKSA-N 1 0 363.414 2.170 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@@H+]1C1CC1 ZINC000127614250 544003721 /nfs/dbraw/zinc/00/37/21/544003721.db2.gz LWTVYKQKGABEPT-CABCVRRESA-N 1 0 373.457 2.052 20 5 FEBDRO CC(C)C[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000128466401 544054282 /nfs/dbraw/zinc/05/42/82/544054282.db2.gz OCFNWFBTJOOFQH-CYBMUJFWSA-N 1 0 372.491 2.281 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129208784 544096818 /nfs/dbraw/zinc/09/68/18/544096818.db2.gz PJQAAVOCDHLMIU-NSHDSACASA-N 1 0 361.489 2.228 20 5 FEBDRO Cn1cnnc1[C@@H]1CCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129645563 544121787 /nfs/dbraw/zinc/12/17/87/544121787.db2.gz JDMKNRJLTODYIU-AWEZNQCLSA-N 1 0 362.365 2.028 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000130016985 544135856 /nfs/dbraw/zinc/13/58/56/544135856.db2.gz UYONCBLYPPMYLQ-UHFFFAOYSA-N 1 0 359.373 2.085 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)CCCn2ccnc2C)c([N+](=O)[O-])c1 ZINC000130349194 544147761 /nfs/dbraw/zinc/14/77/61/544147761.db2.gz BUSOKHVZVSRLIN-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000131604190 544197811 /nfs/dbraw/zinc/19/78/11/544197811.db2.gz OMSRCZVJUVBKRO-CYBMUJFWSA-N 1 0 367.471 2.283 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131674306 544201434 /nfs/dbraw/zinc/20/14/34/544201434.db2.gz KRRSYJIEYVCJAB-ZDUSSCGKSA-N 1 0 355.822 2.215 20 5 FEBDRO CCC[C@@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131688037 544201759 /nfs/dbraw/zinc/20/17/59/544201759.db2.gz VBQVNOGQKGTMNQ-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000131814403 544207826 /nfs/dbraw/zinc/20/78/26/544207826.db2.gz BNYKJHUUWVMWNU-CQSZACIVSA-N 1 0 371.441 2.373 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132545512 544235400 /nfs/dbraw/zinc/23/54/00/544235400.db2.gz QMAUNGYHTFVROG-IBGZPJMESA-N 1 0 355.394 2.265 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000134616748 544315250 /nfs/dbraw/zinc/31/52/50/544315250.db2.gz GKFNRNJFVRBTJB-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151429072 544540033 /nfs/dbraw/zinc/54/00/33/544540033.db2.gz NMZIFMIKTSGDOG-GFCCVEGCSA-N 1 0 356.220 2.062 20 5 FEBDRO C[C@H](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000151203328 544516326 /nfs/dbraw/zinc/51/63/26/544516326.db2.gz LYWZBQKCLRRFMI-OAHLLOKOSA-N 1 0 374.445 2.001 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000151624836 544563718 /nfs/dbraw/zinc/56/37/18/544563718.db2.gz ANLFFPFMIORHNY-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000152250750 544630339 /nfs/dbraw/zinc/63/03/39/544630339.db2.gz NJKHGXIJBPQUJY-UHFFFAOYSA-N 1 0 370.247 2.358 20 5 FEBDRO O=C(CN1CCC[C@@H](c2nncn2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152478899 544658905 /nfs/dbraw/zinc/65/89/05/544658905.db2.gz ZYEWMXFENSTOLZ-CYBMUJFWSA-N 1 0 370.413 2.339 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)Cc1cccnc1 ZINC000152316133 544638026 /nfs/dbraw/zinc/63/80/26/544638026.db2.gz YEPOENUVWBXBGD-UHFFFAOYSA-N 1 0 358.398 2.121 20 5 FEBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000153281281 544756224 /nfs/dbraw/zinc/75/62/24/544756224.db2.gz RKKTXGHPWAFHIB-ROUUACIJSA-N 1 0 359.426 2.123 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153421961 544773519 /nfs/dbraw/zinc/77/35/19/544773519.db2.gz BDFVJCRUMRFARN-KDOFPFPSSA-N 1 0 359.426 2.449 20 5 FEBDRO O=C(CN1CCN(Cc2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000154022179 544854034 /nfs/dbraw/zinc/85/40/34/544854034.db2.gz OPFMGPFWXNIIJK-UHFFFAOYSA-N 1 0 370.409 2.057 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247530796 549351607 /nfs/dbraw/zinc/35/16/07/549351607.db2.gz OZTATBUCZXKHTJ-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS1(=O)=O ZINC000552579112 674215578 /nfs/dbraw/zinc/21/55/78/674215578.db2.gz SMKNLVCANQROQQ-NUEKZKHPSA-N 1 0 352.456 2.473 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179875806 327663225 /nfs/dbraw/zinc/66/32/25/327663225.db2.gz AEWAFZDLCWSVMF-GFCCVEGCSA-N 1 0 351.403 2.337 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCOC2=O)c1 ZINC000181301154 327724194 /nfs/dbraw/zinc/72/41/94/327724194.db2.gz HJVOLXWDYZWNIQ-ZDUSSCGKSA-N 1 0 372.381 2.064 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000181828243 327748486 /nfs/dbraw/zinc/74/84/86/327748486.db2.gz HCQLOCOVGUKTHT-KBPBESRZSA-N 1 0 355.460 2.225 20 5 FEBDRO C[C@@H](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000182260664 327768045 /nfs/dbraw/zinc/76/80/45/327768045.db2.gz AGHIZSMKTRDFJX-ZDUSSCGKSA-N 1 0 372.425 2.431 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000182677861 327784344 /nfs/dbraw/zinc/78/43/44/327784344.db2.gz YFWWQNWUMWENTL-LBPRGKRZSA-N 1 0 370.837 2.279 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000183458291 327819198 /nfs/dbraw/zinc/81/91/98/327819198.db2.gz DOYVTMJNNYNHKV-UHFFFAOYSA-N 1 0 369.425 2.009 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1 ZINC000183669699 327829744 /nfs/dbraw/zinc/82/97/44/327829744.db2.gz BDMWTDBZMWFXOQ-MRXNPFEDSA-N 1 0 359.382 2.255 20 5 FEBDRO CC(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000184860081 327885907 /nfs/dbraw/zinc/88/59/07/327885907.db2.gz SFNHRLOGIZVNDY-ZDUSSCGKSA-N 1 0 373.373 2.129 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188008633 328059969 /nfs/dbraw/zinc/05/99/69/328059969.db2.gz IFCPUAIJNZFBAU-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000188255064 328076026 /nfs/dbraw/zinc/07/60/26/328076026.db2.gz DDRRHYJEXVKWML-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO C[C@@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000188377082 328083251 /nfs/dbraw/zinc/08/32/51/328083251.db2.gz FOWRZMQYJOFUMB-SNVBAGLBSA-N 1 0 360.336 2.236 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188813088 328112399 /nfs/dbraw/zinc/11/23/99/328112399.db2.gz WCBTVYXAXJEQAF-UHFFFAOYSA-N 1 0 374.441 2.242 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)C(F)(F)F ZINC000189456841 328149388 /nfs/dbraw/zinc/14/93/88/328149388.db2.gz SFHGOBNOYSGJDH-CYBMUJFWSA-N 1 0 363.336 2.477 20 5 FEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191645486 328275591 /nfs/dbraw/zinc/27/55/91/328275591.db2.gz RJNGXPDFLBWEJN-YJBOKZPZSA-N 1 0 352.431 2.208 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191813402 328283374 /nfs/dbraw/zinc/28/33/74/328283374.db2.gz VRQAFVISBPPSRP-UHFFFAOYSA-N 1 0 351.451 2.395 20 5 FEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000191991402 328292198 /nfs/dbraw/zinc/29/21/98/328292198.db2.gz CJNBFTQRXNLUDD-WDEREUQCSA-N 1 0 374.363 2.246 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000192546232 328324904 /nfs/dbraw/zinc/32/49/04/328324904.db2.gz WEORJMZXGYLXBW-UHFFFAOYSA-N 1 0 350.467 2.090 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000192822526 328341638 /nfs/dbraw/zinc/34/16/38/328341638.db2.gz ANLXBUBTRLRTAK-LSDHHAIUSA-N 1 0 374.441 2.179 20 5 FEBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000192883543 328345122 /nfs/dbraw/zinc/34/51/22/328345122.db2.gz DNSZJIRDIZFYEM-ZDUSSCGKSA-N 1 0 362.430 2.158 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019667 328352466 /nfs/dbraw/zinc/35/24/66/328352466.db2.gz CHHNQOZLOFMRIV-CZUORRHYSA-N 1 0 357.414 2.315 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000193322010 328368556 /nfs/dbraw/zinc/36/85/56/328368556.db2.gz GEIYUOHKAIBEJO-NSHDSACASA-N 1 0 361.851 2.352 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000193377807 328371529 /nfs/dbraw/zinc/37/15/29/328371529.db2.gz UEIITMIUAHJSQP-UHFFFAOYSA-N 1 0 361.851 2.225 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000193632638 328386711 /nfs/dbraw/zinc/38/67/11/328386711.db2.gz CTWUVZCHFXMMTG-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194820911 328441960 /nfs/dbraw/zinc/44/19/60/328441960.db2.gz PYHLHDVMAVGQMH-UHFFFAOYSA-N 1 0 363.439 2.347 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195213574 328462511 /nfs/dbraw/zinc/46/25/11/328462511.db2.gz VSYMCMGGWDURPI-MRXNPFEDSA-N 1 0 353.423 2.028 20 5 FEBDRO CC(C)(C[NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236598295 328489591 /nfs/dbraw/zinc/48/95/91/328489591.db2.gz XQPNAMVUSUNISK-UHFFFAOYSA-N 1 0 374.363 2.247 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000236892283 328497348 /nfs/dbraw/zinc/49/73/48/328497348.db2.gz SNQDUZBOIDICLK-CQSZACIVSA-N 1 0 359.382 2.432 20 5 FEBDRO C[NH2+]C[C@H](C)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237108818 328504919 /nfs/dbraw/zinc/50/49/19/328504919.db2.gz JAFVLZGQTXSRLY-JTQLQIEISA-N 1 0 362.352 2.387 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081572268 325185190 /nfs/dbraw/zinc/18/51/90/325185190.db2.gz VOUIMRSBPQMIER-MAUKXSAKSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237613524 328522038 /nfs/dbraw/zinc/52/20/38/328522038.db2.gz JWYAYFYHQOWKBJ-GWCFXTLKSA-N 1 0 361.851 2.352 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000085634685 325256765 /nfs/dbraw/zinc/25/67/65/325256765.db2.gz FCZPJKYYKKDRQF-CQSZACIVSA-N 1 0 350.419 2.132 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237821338 328529952 /nfs/dbraw/zinc/52/99/52/328529952.db2.gz FIPIBRFTZLTOMS-UHFFFAOYSA-N 1 0 355.822 2.147 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237851613 328531665 /nfs/dbraw/zinc/53/16/65/328531665.db2.gz JYZRTCYQKJJDFK-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410442 325358313 /nfs/dbraw/zinc/35/83/13/325358313.db2.gz YHEJJCBUFWBSKI-JSGCOSHPSA-N 1 0 350.419 2.448 20 5 FEBDRO COc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000090539703 325362517 /nfs/dbraw/zinc/36/25/17/325362517.db2.gz LFPQZZGKMTWENR-NSHDSACASA-N 1 0 350.375 2.168 20 5 FEBDRO CC(C)[C@@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090551816 325362631 /nfs/dbraw/zinc/36/26/31/325362631.db2.gz NZDOUPRJJMHWOP-GOSISDBHSA-N 1 0 359.426 2.276 20 5 FEBDRO CCc1nn(C)c(N2CCC(CCC[N@H+](C)CCOC)CC2)c1[N+](=O)[O-] ZINC000091680779 325389434 /nfs/dbraw/zinc/38/94/34/325389434.db2.gz PPIQZWCFDTWSSG-UHFFFAOYSA-N 1 0 367.494 2.466 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104413435 325538747 /nfs/dbraw/zinc/53/87/47/325538747.db2.gz ISFYRGMPEMURSM-INIZCTEOSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000109816952 325678083 /nfs/dbraw/zinc/67/80/83/325678083.db2.gz NRAISCNKCKSGBC-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000109840081 325679009 /nfs/dbraw/zinc/67/90/09/325679009.db2.gz IULCURIAZPPZFX-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000112324709 325772466 /nfs/dbraw/zinc/77/24/66/325772466.db2.gz MMYONBOINUXZAE-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118117668 326082874 /nfs/dbraw/zinc/08/28/74/326082874.db2.gz OUMYRUAFVDGLAU-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118126409 326084137 /nfs/dbraw/zinc/08/41/37/326084137.db2.gz QCHSPRWHRQRFEP-LBPRGKRZSA-N 1 0 368.821 2.177 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119319186 326148974 /nfs/dbraw/zinc/14/89/74/326148974.db2.gz PTTHMLJHQMFZOW-HNNXBMFYSA-N 1 0 371.441 2.488 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000119944282 326214841 /nfs/dbraw/zinc/21/48/41/326214841.db2.gz RELARHHIXNMWGS-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000121339025 326330576 /nfs/dbraw/zinc/33/05/76/326330576.db2.gz XBKBWMATJZUAST-SNVBAGLBSA-N 1 0 373.356 2.276 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000121649409 326355107 /nfs/dbraw/zinc/35/51/07/326355107.db2.gz QOAUUHXPNNTJMN-DYVFJYSZSA-N 1 0 365.455 2.232 20 5 FEBDRO O=C(CN1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000121844389 326371228 /nfs/dbraw/zinc/37/12/28/326371228.db2.gz MMTNOQIXNKRRQC-SOFGYWHQSA-N 1 0 372.469 2.238 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000125928262 326480215 /nfs/dbraw/zinc/48/02/15/326480215.db2.gz JLJWQOGYFWPOHM-UHFFFAOYSA-N 1 0 357.414 2.065 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126862314 326496411 /nfs/dbraw/zinc/49/64/11/326496411.db2.gz XIGSUKOFKCCKDG-HNNXBMFYSA-N 1 0 369.425 2.338 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000126917942 326497344 /nfs/dbraw/zinc/49/73/44/326497344.db2.gz ZLJOAPJFKVVMHQ-MRXNPFEDSA-N 1 0 373.409 2.457 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000132383343 326591797 /nfs/dbraw/zinc/59/17/97/326591797.db2.gz IMXBTERXDSYADF-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134820230 326631958 /nfs/dbraw/zinc/63/19/58/326631958.db2.gz HMKDHIHALIEQEE-KBPBESRZSA-N 1 0 357.414 2.383 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[NH+](C2CCCC2)CC1 ZINC000135057336 326635561 /nfs/dbraw/zinc/63/55/61/326635561.db2.gz OSFMWBMBVOGKQY-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO O=C1NCCCN1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000135435367 326641265 /nfs/dbraw/zinc/64/12/65/326641265.db2.gz XQMAEIPFRWVIOM-UHFFFAOYSA-N 1 0 362.430 2.243 20 5 FEBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000141849383 326665195 /nfs/dbraw/zinc/66/51/95/326665195.db2.gz QTTWVPMAMSFLMV-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO O=C1[C@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000150830267 326668945 /nfs/dbraw/zinc/66/89/45/326668945.db2.gz VVGFTWAXSOEANU-CRAIPNDOSA-N 1 0 358.442 2.118 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169087 326676433 /nfs/dbraw/zinc/67/64/33/326676433.db2.gz QCDVQPQMTCYAHY-XKVFNRALSA-N 1 0 363.414 2.478 20 5 FEBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895641 326718877 /nfs/dbraw/zinc/71/88/77/326718877.db2.gz VRKSLJPYTDVALW-SJORKVTESA-N 1 0 350.415 2.226 20 5 FEBDRO CCc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000161975572 327013802 /nfs/dbraw/zinc/01/38/02/327013802.db2.gz YWFASNVYCMLDRN-LBPRGKRZSA-N 1 0 367.427 2.379 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000162899061 327037525 /nfs/dbraw/zinc/03/75/25/327037525.db2.gz OSIPYXNDLHHTQI-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163809587 327059437 /nfs/dbraw/zinc/05/94/37/327059437.db2.gz AXXLFYUBXZLUJT-MRXNPFEDSA-N 1 0 369.487 2.273 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163873866 327060211 /nfs/dbraw/zinc/06/02/11/327060211.db2.gz ZQJIWUJQHDJGDH-TXEJJXNPSA-N 1 0 354.204 2.324 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000164813612 327074463 /nfs/dbraw/zinc/07/44/63/327074463.db2.gz ICYAHVXZNFZFKR-QGZVFWFLSA-N 1 0 373.409 2.457 20 5 FEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165889227 327079525 /nfs/dbraw/zinc/07/95/25/327079525.db2.gz CRQZCBSCVDLRPY-JTQLQIEISA-N 1 0 356.220 2.477 20 5 FEBDRO [NH3+][C@H](CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000169187497 327088054 /nfs/dbraw/zinc/08/80/54/327088054.db2.gz WOQQCDYLMHVSGP-DOTOQJQBSA-N 1 0 369.425 2.483 20 5 FEBDRO Cn1cc(C[NH2+]CCN2CCOCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000170874399 327104409 /nfs/dbraw/zinc/10/44/09/327104409.db2.gz UJORNUGFVIGOIE-UHFFFAOYSA-N 1 0 373.457 2.196 20 5 FEBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171050849 327114434 /nfs/dbraw/zinc/11/44/34/327114434.db2.gz INRMYENOSFPOID-CYBMUJFWSA-N 1 0 357.414 2.096 20 5 FEBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000171065165 327115248 /nfs/dbraw/zinc/11/52/48/327115248.db2.gz IFFUULWUOFGEPS-UHFFFAOYSA-N 1 0 356.382 2.221 20 5 FEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171367279 327135041 /nfs/dbraw/zinc/13/50/41/327135041.db2.gz CITHRDUBUKAMGX-UHFFFAOYSA-N 1 0 357.414 2.275 20 5 FEBDRO CC[NH+]1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171979437 327174086 /nfs/dbraw/zinc/17/40/86/327174086.db2.gz ZLTHVSFOVBMIOA-UHFFFAOYSA-N 1 0 362.455 2.177 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000171995680 327175207 /nfs/dbraw/zinc/17/52/07/327175207.db2.gz UHXUUZDURTWWGT-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172076929 327179507 /nfs/dbraw/zinc/17/95/07/327179507.db2.gz MZXKZNBDFBEGDR-NSHDSACASA-N 1 0 361.851 2.129 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000172076925 327179593 /nfs/dbraw/zinc/17/95/93/327179593.db2.gz MZXKZNBDFBEGDR-LLVKDONJSA-N 1 0 361.851 2.129 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000173239843 327243385 /nfs/dbraw/zinc/24/33/85/327243385.db2.gz ZNJPWGVKOZQXKQ-SWLSCSKDSA-N 1 0 355.460 2.118 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000173260654 327244820 /nfs/dbraw/zinc/24/48/20/327244820.db2.gz IQGROOFXCAQVST-OCCSQVGLSA-N 1 0 355.460 2.254 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000173474887 327259993 /nfs/dbraw/zinc/25/99/93/327259993.db2.gz FYZROLDOGDUHQQ-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000173785021 327283955 /nfs/dbraw/zinc/28/39/55/327283955.db2.gz HRVMJPDVOIIUOS-OAHLLOKOSA-N 1 0 360.458 2.148 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173951634 327297248 /nfs/dbraw/zinc/29/72/48/327297248.db2.gz ZRVJAOQCPVFMAD-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173991899 327300111 /nfs/dbraw/zinc/30/01/11/327300111.db2.gz SVFCLYFAMAKCIS-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000173999399 327300756 /nfs/dbraw/zinc/30/07/56/327300756.db2.gz UDBZBBPRZMSWHH-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000174119949 327307330 /nfs/dbraw/zinc/30/73/30/327307330.db2.gz WPQDVGPOHBGPEL-ZDUSSCGKSA-N 1 0 362.386 2.130 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174370523 327322635 /nfs/dbraw/zinc/32/26/35/327322635.db2.gz KSSHPORYZQSPKQ-KRWDZBQOSA-N 1 0 361.446 2.229 20 5 FEBDRO C[N@H+](CCCOc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743543 327347705 /nfs/dbraw/zinc/34/77/05/327347705.db2.gz QNEDJWOUIKJZDF-HNNXBMFYSA-N 1 0 368.821 2.207 20 5 FEBDRO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743259 327347728 /nfs/dbraw/zinc/34/77/28/327347728.db2.gz FASLVGGUMFLVFH-OAHLLOKOSA-N 1 0 368.821 2.207 20 5 FEBDRO C[C@@](CO)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000174792526 327351470 /nfs/dbraw/zinc/35/14/70/327351470.db2.gz YYGZXLPMGCWHEW-IBGZPJMESA-N 1 0 361.442 2.405 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000175083327 327372857 /nfs/dbraw/zinc/37/28/57/327372857.db2.gz YAGIOJZLTGTQAT-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175100928 327374015 /nfs/dbraw/zinc/37/40/15/327374015.db2.gz LNJUBHKSIGEWFC-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000175279798 327384059 /nfs/dbraw/zinc/38/40/59/327384059.db2.gz IKQVSAVFXJFUAI-UKRRQHHQSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175804924 327414481 /nfs/dbraw/zinc/41/44/81/327414481.db2.gz LYBWBTUEDZNKGA-OAHLLOKOSA-N 1 0 364.446 2.376 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000175840896 327416987 /nfs/dbraw/zinc/41/69/87/327416987.db2.gz DEDXJKOFHRITAS-UHFFFAOYSA-N 1 0 367.833 2.114 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000249425585 328769313 /nfs/dbraw/zinc/76/93/13/328769313.db2.gz DOPDWQZBYUGHAU-WDEREUQCSA-N 1 0 361.851 2.305 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1c1ccccc1 ZINC000262203600 328850800 /nfs/dbraw/zinc/85/08/00/328850800.db2.gz KRMTVTYWDGNGDP-GOEBONIOSA-N 1 0 359.357 2.066 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000262244391 328853665 /nfs/dbraw/zinc/85/36/65/328853665.db2.gz RUSDFOCYWAMODC-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262272333 328855428 /nfs/dbraw/zinc/85/54/28/328855428.db2.gz SOXJJMXPKJWUFT-OAHLLOKOSA-N 1 0 361.423 2.069 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000264207714 328999987 /nfs/dbraw/zinc/99/99/87/328999987.db2.gz SLTVLQPLIKSVOP-VMPITWQZSA-N 1 0 359.426 2.369 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000264595488 329039091 /nfs/dbraw/zinc/03/90/91/329039091.db2.gz WUXGJWXTRIGVAJ-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1C ZINC000264769050 329058563 /nfs/dbraw/zinc/05/85/63/329058563.db2.gz QMMJJJFIIGBDMH-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920795 329172821 /nfs/dbraw/zinc/17/28/21/329172821.db2.gz BPTZWJQAQQGNPF-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265975384 329178380 /nfs/dbraw/zinc/17/83/80/329178380.db2.gz XDBOBNNBGBFPPK-CYBMUJFWSA-N 1 0 353.419 2.318 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(C)ccc3[N+](=O)[O-])CC2)c1 ZINC000265994655 329180176 /nfs/dbraw/zinc/18/01/76/329180176.db2.gz FLCZTBIEWNOZAG-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000266292175 329208591 /nfs/dbraw/zinc/20/85/91/329208591.db2.gz IPJFUMHXNQHTPB-NSHDSACASA-N 1 0 361.320 2.016 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266341194 329213325 /nfs/dbraw/zinc/21/33/25/329213325.db2.gz LOTBWTNLOSIXGU-LLVKDONJSA-N 1 0 361.320 2.064 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864745 329267150 /nfs/dbraw/zinc/26/71/50/329267150.db2.gz LXMMODGKLJRKJC-DOMZBBRYSA-N 1 0 360.366 2.414 20 5 FEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267063009 329287758 /nfs/dbraw/zinc/28/77/58/329287758.db2.gz JCQDMKPGHXKPEC-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO CNC(=O)c1ccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912097 329367766 /nfs/dbraw/zinc/36/77/66/329367766.db2.gz GHMMLNFOJFFKMC-ZIAGYGMSSA-N 1 0 364.446 2.256 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178574 329393840 /nfs/dbraw/zinc/39/38/40/329393840.db2.gz KYGINXLRIXOSDC-CZUORRHYSA-N 1 0 358.442 2.408 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000268518634 329430129 /nfs/dbraw/zinc/43/01/29/329430129.db2.gz ZKYPHEWZHUWPPP-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000269146176 329490335 /nfs/dbraw/zinc/49/03/35/329490335.db2.gz KALRYQRVFOPRBG-MSOLQXFVSA-N 1 0 361.442 2.401 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269416724 329517638 /nfs/dbraw/zinc/51/76/38/329517638.db2.gz YHIJBAZZZMOUHA-UHFFFAOYSA-N 1 0 356.810 2.330 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270190585 329580836 /nfs/dbraw/zinc/58/08/36/329580836.db2.gz HKKRKTCSEYIEKI-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000271760356 329722888 /nfs/dbraw/zinc/72/28/88/329722888.db2.gz HOJSYERXHWDMJA-MJGOQNOKSA-N 1 0 360.410 2.438 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273007566 329829699 /nfs/dbraw/zinc/82/96/99/329829699.db2.gz VKZGTCPRNQNKKT-GOSISDBHSA-N 1 0 374.441 2.419 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000273371158 329859554 /nfs/dbraw/zinc/85/95/54/329859554.db2.gz GRZMTLGENTXNKT-HZPDHXFCSA-N 1 0 366.393 2.233 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458550 329866416 /nfs/dbraw/zinc/86/64/16/329866416.db2.gz QDEUPOFBJVEGTN-HUUCEWRRSA-N 1 0 356.444 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000276433637 330151238 /nfs/dbraw/zinc/15/12/38/330151238.db2.gz QBVKNOGJOYLHHX-UHFFFAOYSA-N 1 0 350.419 2.132 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084933 330174107 /nfs/dbraw/zinc/17/41/07/330174107.db2.gz MZBZAFNRAHZZEG-IAGOWNOFSA-N 1 0 360.458 2.247 20 5 FEBDRO CC(C)[C@H](C[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000433142649 330272945 /nfs/dbraw/zinc/27/29/45/330272945.db2.gz FBSJXDOCYFWMMR-NSHDSACASA-N 1 0 362.352 2.373 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000440849985 330276972 /nfs/dbraw/zinc/27/69/72/330276972.db2.gz BTNLHHPYTGRPLV-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186766772 518140190 /nfs/dbraw/zinc/14/01/90/518140190.db2.gz KUGDGJGVENFPPU-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC1CC[NH+](CCOC)CC1 ZINC000156532174 545633651 /nfs/dbraw/zinc/63/36/51/545633651.db2.gz NSOVEKHCPCXCKC-UHFFFAOYSA-N 1 0 369.393 2.433 20 5 FEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000157346451 545731354 /nfs/dbraw/zinc/73/13/54/545731354.db2.gz CNLXEONROLDOCI-KRWDZBQOSA-N 1 0 372.469 2.434 20 5 FEBDRO Cc1c(CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000478374300 561165331 /nfs/dbraw/zinc/16/53/31/561165331.db2.gz ADGPETINSSXSDU-ZIAGYGMSSA-N 1 0 364.446 2.202 20 5 FEBDRO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1C(=O)c2ccccc2C1=O ZINC000158909578 545904748 /nfs/dbraw/zinc/90/47/48/545904748.db2.gz VVIICFRPDSNFEP-UHFFFAOYSA-N 1 0 353.378 2.365 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000479756542 561196322 /nfs/dbraw/zinc/19/63/22/561196322.db2.gz OSQHMSGNPCVFAF-NSHDSACASA-N 1 0 353.419 2.318 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000479943781 561200004 /nfs/dbraw/zinc/20/00/04/561200004.db2.gz XESIAOBCEKPNIX-AWEZNQCLSA-N 1 0 371.441 2.409 20 5 FEBDRO COc1cc(OCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000175809134 546354494 /nfs/dbraw/zinc/35/44/94/546354494.db2.gz RAOSYPQCGBQDCQ-GFCCVEGCSA-N 1 0 353.419 2.075 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NCCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000176073179 546401861 /nfs/dbraw/zinc/40/18/61/546401861.db2.gz UFBVAFQVCORYHL-AWEZNQCLSA-N 1 0 364.446 2.374 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000176674410 546476082 /nfs/dbraw/zinc/47/60/82/546476082.db2.gz ITVIGBCCLABDOK-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000177135987 546552526 /nfs/dbraw/zinc/55/25/26/546552526.db2.gz BWJHENGIPCYFBF-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217245 546572064 /nfs/dbraw/zinc/57/20/64/546572064.db2.gz XPSXTWCAXCLLHS-JOYOIKCWSA-N 1 0 362.386 2.475 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000481069390 561224281 /nfs/dbraw/zinc/22/42/81/561224281.db2.gz JOJTUAVGYWGIFH-UHFFFAOYSA-N 1 0 366.381 2.268 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000178001325 546721214 /nfs/dbraw/zinc/72/12/14/546721214.db2.gz ASDUOOAQRQLQJO-LBPRGKRZSA-N 1 0 353.400 2.125 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178013144 546722846 /nfs/dbraw/zinc/72/28/46/546722846.db2.gz YSOPVYZVGFYLPC-CMPLNLGQSA-N 1 0 368.821 2.176 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O ZINC000178029320 546726582 /nfs/dbraw/zinc/72/65/82/546726582.db2.gz RFOIDNACLOLQTQ-LBPRGKRZSA-N 1 0 359.382 2.318 20 5 FEBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000178799988 546851366 /nfs/dbraw/zinc/85/13/66/546851366.db2.gz YMNNPOWMPFGONO-RUZDIDTESA-N 1 0 361.423 2.403 20 5 FEBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980285 546882708 /nfs/dbraw/zinc/88/27/08/546882708.db2.gz FGVTXJQSQCRVFV-IINYFYTJSA-N 1 0 361.851 2.434 20 5 FEBDRO CCC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000179659213 546994076 /nfs/dbraw/zinc/99/40/76/546994076.db2.gz DMWZPQHITXGPMX-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180410237 547104085 /nfs/dbraw/zinc/10/40/85/547104085.db2.gz RNPAHYMQHKFQDY-UONOGXRCSA-N 1 0 374.441 2.303 20 5 FEBDRO O=C(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1CCOCC1 ZINC000181032174 547234965 /nfs/dbraw/zinc/23/49/65/547234965.db2.gz JPLNRTZKFZROTL-UHFFFAOYSA-N 1 0 361.423 2.272 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000181386027 547304723 /nfs/dbraw/zinc/30/47/23/547304723.db2.gz XPZACWBWONOFJW-UHFFFAOYSA-N 1 0 355.460 2.088 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181424899 547313423 /nfs/dbraw/zinc/31/34/23/547313423.db2.gz HUVUHOBDDVFFHP-CJNGLKHVSA-N 1 0 365.430 2.415 20 5 FEBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCCCC[NH+]1CCCCC1 ZINC000181601020 547342624 /nfs/dbraw/zinc/34/26/24/547342624.db2.gz YJBVPJWRFZHHOQ-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181919450 547405406 /nfs/dbraw/zinc/40/54/06/547405406.db2.gz LDQFDIKEAFYLJX-HNNXBMFYSA-N 1 0 369.487 2.175 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182008890 547421601 /nfs/dbraw/zinc/42/16/01/547421601.db2.gz AGOUHWMQMFERPR-GFCCVEGCSA-N 1 0 366.381 2.125 20 5 FEBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000182218277 547455893 /nfs/dbraw/zinc/45/58/93/547455893.db2.gz JUQJNNLSBQFNIE-ZOBUZTSGSA-N 1 0 360.414 2.114 20 5 FEBDRO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249701 547461661 /nfs/dbraw/zinc/46/16/61/547461661.db2.gz AMYOTCOARAXVEL-CYBMUJFWSA-N 1 0 351.428 2.356 20 5 FEBDRO CC[C@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000182694682 547536118 /nfs/dbraw/zinc/53/61/18/547536118.db2.gz XZOKOUAFGBHOQJ-SNVBAGLBSA-N 1 0 352.309 2.405 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182746229 547545277 /nfs/dbraw/zinc/54/52/77/547545277.db2.gz XDYUUJRITHKEBE-MRXNPFEDSA-N 1 0 362.474 2.450 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000184192040 547784391 /nfs/dbraw/zinc/78/43/91/547784391.db2.gz IEIDEPSRASAIQT-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO COc1cc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184250537 547794405 /nfs/dbraw/zinc/79/44/05/547794405.db2.gz UTCBQRSRXZZNKH-ZDUSSCGKSA-N 1 0 367.421 2.428 20 5 FEBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000184350442 547811457 /nfs/dbraw/zinc/81/14/57/547811457.db2.gz YUHMHJSEDGIXDT-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184600651 547852024 /nfs/dbraw/zinc/85/20/24/547852024.db2.gz TWQCHRZPDWVXDX-CQSZACIVSA-N 1 0 355.460 2.088 20 5 FEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1CCO ZINC000485421207 561318829 /nfs/dbraw/zinc/31/88/29/561318829.db2.gz YQNAOZIOALSEJO-CYBMUJFWSA-N 1 0 360.389 2.299 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000185764268 548032718 /nfs/dbraw/zinc/03/27/18/548032718.db2.gz ZPNCUFUIWBLQAG-CQSZACIVSA-N 1 0 370.409 2.432 20 5 FEBDRO COc1ccccc1C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000185866752 548048250 /nfs/dbraw/zinc/04/82/50/548048250.db2.gz HKBBHFKVXJRWKB-IRXDYDNUSA-N 1 0 362.430 2.018 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000193944684 548410791 /nfs/dbraw/zinc/41/07/91/548410791.db2.gz VMGMNPLYRBQTBV-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000194418860 548478781 /nfs/dbraw/zinc/47/87/81/548478781.db2.gz XCVAHWHTVYXGGJ-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCC[NH2+]C1 ZINC000236567868 548767332 /nfs/dbraw/zinc/76/73/32/548767332.db2.gz FAAVIGCIYNBDML-JTQLQIEISA-N 1 0 356.220 2.016 20 5 FEBDRO CC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000237058509 548796908 /nfs/dbraw/zinc/79/69/08/548796908.db2.gz FSYUMXIUUJTXDL-KBPBESRZSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237214269 548808865 /nfs/dbraw/zinc/80/88/65/548808865.db2.gz BJTCODNXEZSKOG-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000245431640 548916987 /nfs/dbraw/zinc/91/69/87/548916987.db2.gz AVZWNCZAEPXFPX-ZIAGYGMSSA-N 1 0 364.446 2.204 20 5 FEBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000245463606 548927418 /nfs/dbraw/zinc/92/74/18/548927418.db2.gz HGEWRRHFWOFNOM-BZUAXINKSA-N 1 0 354.451 2.068 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487998461 561380758 /nfs/dbraw/zinc/38/07/58/561380758.db2.gz HSHLIKAWVOSXBF-MRXNPFEDSA-N 1 0 364.446 2.204 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245539703 548942494 /nfs/dbraw/zinc/94/24/94/548942494.db2.gz HUVUHOBDDVFFHP-CZUORRHYSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000245553328 548945252 /nfs/dbraw/zinc/94/52/52/548945252.db2.gz RGUWDMQMAFEZFM-AHIWAGSCSA-N 1 0 365.430 2.413 20 5 FEBDRO CN1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644501 548965175 /nfs/dbraw/zinc/96/51/75/548965175.db2.gz LFKUIUVBCGSMED-WMLDXEAASA-N 1 0 361.423 2.319 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246445312 549134812 /nfs/dbraw/zinc/13/48/12/549134812.db2.gz BOHPKWISTYWBHB-GUYCJALGSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000246698926 549191199 /nfs/dbraw/zinc/19/11/99/549191199.db2.gz ZHEBPYISKVYLDU-UONOGXRCSA-N 1 0 355.460 2.315 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000246927473 549244320 /nfs/dbraw/zinc/24/43/20/549244320.db2.gz JPTKEIWYNHMEHL-KBPBESRZSA-N 1 0 363.414 2.067 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000246952791 549250320 /nfs/dbraw/zinc/25/03/20/549250320.db2.gz DEMVOHUDEJORMD-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO 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C[C@@H]([NH3+])C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000261703920 549744917 /nfs/dbraw/zinc/74/49/17/549744917.db2.gz CWRIFHOGROPSAK-CYBMUJFWSA-N 1 0 374.466 2.315 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261947244 549772701 /nfs/dbraw/zinc/77/27/01/549772701.db2.gz YLSBWYKFDUQCFU-BFYDXBDKSA-N 1 0 360.458 2.236 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000490437272 561433104 /nfs/dbraw/zinc/43/31/04/561433104.db2.gz IBVYQAPBCVSIAN-CQSZACIVSA-N 1 0 367.471 2.231 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264185860 549989224 /nfs/dbraw/zinc/98/92/24/549989224.db2.gz MKHYVPPOXDKTGP-UHFFFAOYSA-N 1 0 358.402 2.385 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NCCCC[NH+]1CCOCC1 ZINC000268488416 550074629 /nfs/dbraw/zinc/07/46/29/550074629.db2.gz NLEWKNCTQPDUQJ-UHFFFAOYSA-N 1 0 359.224 2.277 20 5 FEBDRO COC(=O)CC1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000269053567 550149548 /nfs/dbraw/zinc/14/95/48/550149548.db2.gz ULDYSKRNPYZUOV-UHFFFAOYSA-N 1 0 352.387 2.066 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269666082 550215101 /nfs/dbraw/zinc/21/51/01/550215101.db2.gz JLEGGPSEQZZORW-UKRRQHHQSA-N 1 0 364.446 2.475 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000270852256 550313703 /nfs/dbraw/zinc/31/37/03/550313703.db2.gz YCBPIDOLBFVACJ-HNNXBMFYSA-N 1 0 357.414 2.113 20 5 FEBDRO Cn1cc(C[NH+]2CCC(CCC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271161519 550347168 /nfs/dbraw/zinc/34/71/68/550347168.db2.gz AVIVNCVMFBTYNN-UHFFFAOYSA-N 1 0 371.441 2.473 20 5 FEBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538941 550456672 /nfs/dbraw/zinc/45/66/72/550456672.db2.gz RONGCKMOZDWFHZ-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000276920139 550611119 /nfs/dbraw/zinc/61/11/19/550611119.db2.gz HACKKBKYXKOUBF-GDBMZVCRSA-N 1 0 351.403 2.479 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000277381974 550663760 /nfs/dbraw/zinc/66/37/60/550663760.db2.gz WNQCOYVOWRYMDW-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277480078 550675915 /nfs/dbraw/zinc/67/59/15/550675915.db2.gz IQGGKJNNIAHKEL-CYBMUJFWSA-N 1 0 351.378 2.246 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494892386 561478571 /nfs/dbraw/zinc/47/85/71/561478571.db2.gz MBFLMDAMQSLMBB-GWCFXTLKSA-N 1 0 373.331 2.360 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277629724 550694319 /nfs/dbraw/zinc/69/43/19/550694319.db2.gz JHBAYJUEDVHQTC-HNNXBMFYSA-N 1 0 364.446 2.237 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278731771 550815987 /nfs/dbraw/zinc/81/59/87/550815987.db2.gz WHLBSTGOQCREJM-ZDUSSCGKSA-N 1 0 369.849 2.408 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CCc2ccccc2C1 ZINC000279254629 550870083 /nfs/dbraw/zinc/87/00/83/550870083.db2.gz SHBXCIATZOKMQS-UHFFFAOYSA-N 1 0 358.373 2.104 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279324192 550877796 /nfs/dbraw/zinc/87/77/96/550877796.db2.gz OJIOSCMORWEKMC-PXAZEXFGSA-N 1 0 363.414 2.431 20 5 FEBDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000279388383 550884563 /nfs/dbraw/zinc/88/45/63/550884563.db2.gz KAIJFBAPNLFVMV-HNNXBMFYSA-N 1 0 373.457 2.148 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280701216 551023253 /nfs/dbraw/zinc/02/32/53/551023253.db2.gz AMSYOIDOOGKHAG-UHFFFAOYSA-N 1 0 361.402 2.173 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280943234 551048146 /nfs/dbraw/zinc/04/81/46/551048146.db2.gz IBDCGLLHXRUYNE-IEBWSBKVSA-N 1 0 373.409 2.021 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] 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LMGJGIHEKZZXJK-GOSISDBHSA-N 1 0 361.442 2.239 20 5 FEBDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746350 551265861 /nfs/dbraw/zinc/26/58/61/551265861.db2.gz NLWFKIVPSBWRAQ-XJKSGUPXSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)n1 ZINC000282748143 551266249 /nfs/dbraw/zinc/26/62/49/551266249.db2.gz NQINGBAIDWLYOE-MRXNPFEDSA-N 1 0 350.806 2.436 20 5 FEBDRO O=C(CC[NH+]1CCN(c2cccc(O)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000282804798 551272166 /nfs/dbraw/zinc/27/21/66/551272166.db2.gz XKMYNHOZRIVARS-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000283121518 551314993 /nfs/dbraw/zinc/31/49/93/551314993.db2.gz MZMNBDAOLOCVIV-VXGBXAGGSA-N 1 0 367.402 2.109 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497957989 561512381 /nfs/dbraw/zinc/51/23/81/561512381.db2.gz GGARNHZXIAUNIA-UKRRQHHQSA-N 1 0 370.409 2.336 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000284115490 551486475 /nfs/dbraw/zinc/48/64/75/551486475.db2.gz OZIRASQLVMOERT-CYBMUJFWSA-N 1 0 354.401 2.085 20 5 FEBDRO CN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271749 551512459 /nfs/dbraw/zinc/51/24/59/551512459.db2.gz MUXWWSDOZLCLJW-WMZOPIPTSA-N 1 0 354.410 2.229 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000284433835 551548462 /nfs/dbraw/zinc/54/84/62/551548462.db2.gz YTTAEWMLLLVZFE-YZGWKJHDSA-N 1 0 371.437 2.370 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000284668950 551603788 /nfs/dbraw/zinc/60/37/88/551603788.db2.gz WKPWQDDOFJEPEE-CRAIPNDOSA-N 1 0 357.414 2.088 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000498566276 561528598 /nfs/dbraw/zinc/52/85/98/561528598.db2.gz DQFWDDXETAGUKE-NWDGAFQWSA-N 1 0 358.398 2.403 20 5 FEBDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000284939190 551671956 /nfs/dbraw/zinc/67/19/56/551671956.db2.gz BBXFCQGJWCBFLA-ZVRJUHEZSA-N 1 0 360.458 2.329 20 5 FEBDRO COc1ccc(C(=O)[N-]C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285370095 551745047 /nfs/dbraw/zinc/74/50/47/551745047.db2.gz QWFQSBDRTOYLOV-UHFFFAOYSA-N 1 0 371.393 2.034 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285493882 551765293 /nfs/dbraw/zinc/76/52/93/551765293.db2.gz IWLDOBMQHUBKCB-WMLDXEAASA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860680 551819926 /nfs/dbraw/zinc/81/99/26/551819926.db2.gz PQRAJPBNWHBZRH-CJNGLKHVSA-N 1 0 374.441 2.104 20 5 FEBDRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860675 551819976 /nfs/dbraw/zinc/81/99/76/551819976.db2.gz PQRAJPBNWHBZRH-BBRMVZONSA-N 1 0 374.441 2.104 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000286333983 551875424 /nfs/dbraw/zinc/87/54/24/551875424.db2.gz KKXPMUDTJULKEW-UHFFFAOYSA-N 1 0 351.447 2.467 20 5 FEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286368626 551879605 /nfs/dbraw/zinc/87/96/05/551879605.db2.gz HVXULFUWUZUDJS-OAHLLOKOSA-N 1 0 363.414 2.342 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000287436435 552003786 /nfs/dbraw/zinc/00/37/86/552003786.db2.gz QWDJROVHDYSHIO-ZBFHGGJFSA-N 1 0 361.442 2.455 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499690393 561556259 /nfs/dbraw/zinc/55/62/59/561556259.db2.gz IDFAUBRZVVWAIS-OAHLLOKOSA-N 1 0 363.414 2.376 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288864688 552227175 /nfs/dbraw/zinc/22/71/75/552227175.db2.gz LHQKZELLPZDGSY-IAGOWNOFSA-N 1 0 373.457 2.415 20 5 FEBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288867649 552227550 /nfs/dbraw/zinc/22/75/50/552227550.db2.gz QHIABAWLXHDJBK-SFHVURJKSA-N 1 0 365.430 2.417 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000289515759 552333687 /nfs/dbraw/zinc/33/36/87/552333687.db2.gz NKTKSQCHPSRZEO-VXGBXAGGSA-N 1 0 362.167 2.202 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500466295 561573944 /nfs/dbraw/zinc/57/39/44/561573944.db2.gz WZCBJTGTIMURCJ-NSBLKUNKSA-N 1 0 367.471 2.306 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289677959 552360614 /nfs/dbraw/zinc/36/06/14/552360614.db2.gz WWNBNONODYEPSO-OAHLLOKOSA-N 1 0 351.403 2.073 20 5 FEBDRO CO[C@H]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289689915 552362461 /nfs/dbraw/zinc/36/24/61/552362461.db2.gz DUSMKJHNSMOTJV-LBPRGKRZSA-N 1 0 362.167 2.420 20 5 FEBDRO CC(C)(CO)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000289751964 552372407 /nfs/dbraw/zinc/37/24/07/552372407.db2.gz LFDNOSLTYXKMGV-HNNXBMFYSA-N 1 0 351.428 2.167 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CCOCC2)c1 ZINC000289823369 552384276 /nfs/dbraw/zinc/38/42/76/552384276.db2.gz JJHVVVHEHACACF-UHFFFAOYSA-N 1 0 362.167 2.468 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc(CO)nn1 ZINC000289870715 552392144 /nfs/dbraw/zinc/39/21/44/552392144.db2.gz RLOBKQWGKXWXCA-CYBMUJFWSA-N 1 0 365.459 2.229 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000290407439 552474401 /nfs/dbraw/zinc/47/44/01/552474401.db2.gz GAMQYQICKDZHDW-SUMWQHHRSA-N 1 0 374.441 2.181 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000290510230 552490725 /nfs/dbraw/zinc/49/07/25/552490725.db2.gz VDWSYGULDOUDHL-LLVKDONJSA-N 1 0 368.409 2.217 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000290739683 552529094 /nfs/dbraw/zinc/52/90/94/552529094.db2.gz XIBAQJQWXIFBCI-AWEZNQCLSA-N 1 0 368.503 2.075 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000290904596 552559302 /nfs/dbraw/zinc/55/93/02/552559302.db2.gz OIAKHCZNHCAVSW-QMMMGPOBSA-N 1 0 353.227 2.426 20 5 FEBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290914119 552560775 /nfs/dbraw/zinc/56/07/75/552560775.db2.gz HHHOZPVECFCWIY-ZFWWWQNUSA-N 1 0 369.425 2.411 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291028486 552577885 /nfs/dbraw/zinc/57/78/85/552577885.db2.gz BCMZRJLEJROQSM-CQSZACIVSA-N 1 0 366.368 2.445 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000292711978 552751951 /nfs/dbraw/zinc/75/19/51/552751951.db2.gz FFNVJKXIHKILII-HNNXBMFYSA-N 1 0 373.862 2.355 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000292843524 552764216 /nfs/dbraw/zinc/76/42/16/552764216.db2.gz CKBQORMWHQBIOX-ONGXEEELSA-N 1 0 371.340 2.029 20 5 FEBDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000293957553 552870939 /nfs/dbraw/zinc/87/09/39/552870939.db2.gz JEXCAPPLXLHXFD-KRWDZBQOSA-N 1 0 350.415 2.261 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)[N@H+]1C ZINC000294046382 552877726 /nfs/dbraw/zinc/87/77/26/552877726.db2.gz SYFPKQJVXUQKMW-GASCZTMLSA-N 1 0 360.458 2.362 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295016115 552951449 /nfs/dbraw/zinc/95/14/49/552951449.db2.gz PXCZBJINCKLQCD-CYBMUJFWSA-N 1 0 368.865 2.312 20 5 FEBDRO Cc1ccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000502059436 561611095 /nfs/dbraw/zinc/61/10/95/561611095.db2.gz FGQGDCLWYZHKMR-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296077888 553101110 /nfs/dbraw/zinc/10/11/10/553101110.db2.gz OYXDXUVIFVBYEG-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000297612664 553315760 /nfs/dbraw/zinc/31/57/60/553315760.db2.gz VTCSFBWPYRFHOA-CQSZACIVSA-N 1 0 373.413 2.397 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000297612657 553315819 /nfs/dbraw/zinc/31/58/19/553315819.db2.gz VTCSFBWPYRFHOA-AWEZNQCLSA-N 1 0 373.413 2.397 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298047557 553376875 /nfs/dbraw/zinc/37/68/75/553376875.db2.gz HMKAAMBDZWMUEY-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)Cc1ccccc1 ZINC000298061843 553378774 /nfs/dbraw/zinc/37/87/74/553378774.db2.gz IUGJQBYOVMSYCO-UHFFFAOYSA-N 1 0 373.409 2.427 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298627413 553451092 /nfs/dbraw/zinc/45/10/92/553451092.db2.gz OBTAUABMCMUEGA-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccs1 ZINC000298715842 553462911 /nfs/dbraw/zinc/46/29/11/553462911.db2.gz YTBWSFHDSOTRRD-LBPRGKRZSA-N 1 0 352.391 2.410 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000298978261 553498150 /nfs/dbraw/zinc/49/81/50/553498150.db2.gz PJISNRDNCXAKBF-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299130970 553519452 /nfs/dbraw/zinc/51/94/52/553519452.db2.gz NOPZYRVDQGRXFP-QGZVFWFLSA-N 1 0 357.414 2.135 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000299167237 553524364 /nfs/dbraw/zinc/52/43/64/553524364.db2.gz XXEDTKFBMOIYHO-OAHLLOKOSA-N 1 0 374.441 2.283 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000299225135 553533015 /nfs/dbraw/zinc/53/30/15/553533015.db2.gz IYDUUHCDWMYKOK-CVEARBPZSA-N 1 0 374.441 2.315 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299300431 553544729 /nfs/dbraw/zinc/54/47/29/553544729.db2.gz NRMSEKZJHJGVOH-QGZVFWFLSA-N 1 0 371.441 2.271 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000299379167 553555401 /nfs/dbraw/zinc/55/54/01/553555401.db2.gz PFGXUWNGPUNFHH-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000299435430 553562871 /nfs/dbraw/zinc/56/28/71/553562871.db2.gz GVMCBEQOXGCFSX-HNNXBMFYSA-N 1 0 373.413 2.202 20 5 FEBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000301105917 553622428 /nfs/dbraw/zinc/62/24/28/553622428.db2.gz NFSFDUAVKCDCLV-OAHLLOKOSA-N 1 0 356.430 2.462 20 5 FEBDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000505293353 561669228 /nfs/dbraw/zinc/66/92/28/561669228.db2.gz HPCKYXYVVRCSMY-UHFFFAOYSA-N 1 0 350.419 2.111 20 5 FEBDRO Cc1cccc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1[N+](=O)[O-] ZINC000302488159 553718421 /nfs/dbraw/zinc/71/84/21/553718421.db2.gz IZGQIAZIMWCJFI-QGZVFWFLSA-N 1 0 362.474 2.134 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000507493207 561730804 /nfs/dbraw/zinc/73/08/04/561730804.db2.gz HBMHOKFQUURJCC-CABCVRRESA-N 1 0 367.471 2.432 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314272 554246001 /nfs/dbraw/zinc/24/60/01/554246001.db2.gz WVCUQOYIGNGZEY-UONOGXRCSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000509023507 561781861 /nfs/dbraw/zinc/78/18/61/561781861.db2.gz WLKOOVNHWWHJRS-ACJLOTCBSA-N 1 0 368.428 2.331 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000331824935 554326036 /nfs/dbraw/zinc/32/60/36/554326036.db2.gz WOOGGEIEKRWIJH-RBSFLKMASA-N 1 0 363.462 2.390 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000331906524 554344028 /nfs/dbraw/zinc/34/40/28/554344028.db2.gz KFBGKXSFOLFAFK-HDMKZQKVSA-N 1 0 350.415 2.355 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000331962891 554353504 /nfs/dbraw/zinc/35/35/04/554353504.db2.gz VGHLLVUPVRDDKC-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021950 554365277 /nfs/dbraw/zinc/36/52/77/554365277.db2.gz RCCSOYLWEISQLW-MLGOLLRUSA-N 1 0 367.471 2.331 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081027 554375692 /nfs/dbraw/zinc/37/56/92/554375692.db2.gz LAVNPDNHABXLIH-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1C ZINC000332083664 554376568 /nfs/dbraw/zinc/37/65/68/554376568.db2.gz PAXOLRUFMAPGBW-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000332224650 554404473 /nfs/dbraw/zinc/40/44/73/554404473.db2.gz LTGDEXAZJZJEEQ-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000332329937 554426906 /nfs/dbraw/zinc/42/69/06/554426906.db2.gz PETXDLDXFKSXIQ-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000332526351 554462913 /nfs/dbraw/zinc/46/29/13/554462913.db2.gz OUZZRNAOJKSGOI-WFASDCNBSA-N 1 0 361.398 2.080 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510668677 561842758 /nfs/dbraw/zinc/84/27/58/561842758.db2.gz SWFVLDFJZKBVAA-JKSUJKDBSA-N 1 0 353.444 2.041 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000360682341 554885318 /nfs/dbraw/zinc/88/53/18/554885318.db2.gz UEPTWHCREZNYGV-CABCVRRESA-N 1 0 355.398 2.197 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000360850900 554892641 /nfs/dbraw/zinc/89/26/41/554892641.db2.gz OUZPRFUBCCXATB-GOSISDBHSA-N 1 0 350.415 2.288 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853514 554893128 /nfs/dbraw/zinc/89/31/28/554893128.db2.gz YBZJFZAGLISLML-NVXWUHKLSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000361503832 554922132 /nfs/dbraw/zinc/92/21/32/554922132.db2.gz PYYZDMYATWKMCJ-XYPHTWIQSA-N 1 0 374.441 2.350 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000362709309 554982955 /nfs/dbraw/zinc/98/29/55/554982955.db2.gz DQFKXYVVHLQZKI-HNNXBMFYSA-N 1 0 367.409 2.443 20 5 FEBDRO COc1cc(OCC(=O)N2CCC[N@H+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000362739341 554985953 /nfs/dbraw/zinc/98/59/53/554985953.db2.gz ZPBQSJUVJYMUKY-UHFFFAOYSA-N 1 0 365.430 2.173 20 5 FEBDRO Cc1c(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000363161361 555043168 /nfs/dbraw/zinc/04/31/68/555043168.db2.gz UJXAIZWTZMRDNV-UHFFFAOYSA-N 1 0 361.442 2.364 20 5 FEBDRO O=C(CC[NH+]1CCC(NC(=O)C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000363193336 555050670 /nfs/dbraw/zinc/05/06/70/555050670.db2.gz VHICTWZRAWVMNQ-UHFFFAOYSA-N 1 0 374.441 2.304 20 5 FEBDRO 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Cc1c(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364181180 555264560 /nfs/dbraw/zinc/26/45/60/555264560.db2.gz KKQCKEAOEXIPHM-RHSMWYFYSA-N 1 0 362.386 2.463 20 5 FEBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451235 555316764 /nfs/dbraw/zinc/31/67/64/555316764.db2.gz XMDLDGNAIYCKNU-MJGOQNOKSA-N 1 0 353.378 2.224 20 5 FEBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000512389077 561903126 /nfs/dbraw/zinc/90/31/26/561903126.db2.gz FKLWNLJIRYOAIU-CYBMUJFWSA-N 1 0 363.439 2.386 20 5 FEBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458173 561905835 /nfs/dbraw/zinc/90/58/35/561905835.db2.gz YSFXABBFJOVFRO-ZBFHGGJFSA-N 1 0 361.442 2.499 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc2O1 ZINC000364897941 555430122 /nfs/dbraw/zinc/43/01/22/555430122.db2.gz UZTAKGDWYZRRSL-CYBMUJFWSA-N 1 0 356.382 2.146 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365026520 555467891 /nfs/dbraw/zinc/46/78/91/555467891.db2.gz LDGHKWSZIXAPMD-INIZCTEOSA-N 1 0 369.425 2.062 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000365083903 555481415 /nfs/dbraw/zinc/48/14/15/555481415.db2.gz JIRHIRSZJCJULQ-CRAIPNDOSA-N 1 0 356.382 2.192 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365356867 555552454 /nfs/dbraw/zinc/55/24/54/555552454.db2.gz MHCDXZFFPJBENZ-CRAIPNDOSA-N 1 0 361.445 2.365 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000365652220 555632896 /nfs/dbraw/zinc/63/28/96/555632896.db2.gz ZZDZJDDMXRJUDM-ZFWWWQNUSA-N 1 0 350.806 2.190 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117956 555757238 /nfs/dbraw/zinc/75/72/38/555757238.db2.gz GONYPCIZANEKEC-BBRMVZONSA-N 1 0 355.398 2.025 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366334997 555814711 /nfs/dbraw/zinc/81/47/11/555814711.db2.gz URAPGZZEBUUYRI-CZUORRHYSA-N 1 0 362.430 2.127 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366621971 555893103 /nfs/dbraw/zinc/89/31/03/555893103.db2.gz HRGHARDEODPOGW-JJTKIYQPSA-N 1 0 374.485 2.346 20 5 FEBDRO O=c1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763325 555927813 /nfs/dbraw/zinc/92/78/13/555927813.db2.gz ZDQSZFREDLRQTB-DLBZAZTESA-N 1 0 364.401 2.036 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366837456 555947512 /nfs/dbraw/zinc/94/75/12/555947512.db2.gz GBLBMVZZPPNUAZ-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367437472 556048437 /nfs/dbraw/zinc/04/84/37/556048437.db2.gz WNMUGOGPAWJRGI-KDOFPFPSSA-N 1 0 360.458 2.260 20 5 FEBDRO O=C1CC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C2CC2)N1 ZINC000367450687 556052749 /nfs/dbraw/zinc/05/27/49/556052749.db2.gz PAZKWAFKNUMQDJ-NVXWUHKLSA-N 1 0 356.382 2.397 20 5 FEBDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856335 561983549 /nfs/dbraw/zinc/98/35/49/561983549.db2.gz XVPFQXOXUQBASB-YOEHRIQHSA-N 1 0 362.430 2.428 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000367940223 556178191 /nfs/dbraw/zinc/17/81/91/556178191.db2.gz CWOHMJIHIIAIRY-JKSUJKDBSA-N 1 0 373.384 2.375 20 5 FEBDRO CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000368407335 556299349 /nfs/dbraw/zinc/29/93/49/556299349.db2.gz NGWSRLLVDRWETO-RDJZCZTQSA-N 1 0 363.462 2.465 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000368446156 556311567 /nfs/dbraw/zinc/31/15/67/556311567.db2.gz JIXOFXCCMKBPEZ-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO 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CCOc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000518756474 562117764 /nfs/dbraw/zinc/11/77/64/562117764.db2.gz NKASZXQCBTVXDR-GLKRBJQHSA-N 1 0 351.403 2.118 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518853614 562119837 /nfs/dbraw/zinc/11/98/37/562119837.db2.gz UYCWTMLXXUSWFS-XQQFMLRXSA-N 1 0 363.414 2.420 20 5 FEBDRO C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281460 557428331 /nfs/dbraw/zinc/42/83/31/557428331.db2.gz ITDXIZVHQXXOLT-CHWSQXEVSA-N 1 0 363.443 2.195 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372558196 557505019 /nfs/dbraw/zinc/50/50/19/557505019.db2.gz RQNVDKCQAKWKTL-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000519655958 562138843 /nfs/dbraw/zinc/13/88/43/562138843.db2.gz STDUBELZBXQABX-GJZGRUSLSA-N 1 0 367.471 2.167 20 5 FEBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112982 557631325 /nfs/dbraw/zinc/63/13/25/557631325.db2.gz PDPXOLLLLUIVHT-RHSMWYFYSA-N 1 0 373.413 2.189 20 5 FEBDRO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc21 ZINC000373227656 557653931 /nfs/dbraw/zinc/65/39/31/557653931.db2.gz GKBUEDNLBPVNGF-UHFFFAOYSA-N 1 0 369.425 2.408 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCCCC2)C1 ZINC000373418748 557689849 /nfs/dbraw/zinc/68/98/49/557689849.db2.gz SFINGGWNMJSVSU-UHFFFAOYSA-N 1 0 361.446 2.323 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(F)cc3)C2)c1 ZINC000373585147 557723065 /nfs/dbraw/zinc/72/30/65/557723065.db2.gz NCPZIGSZYOTGEA-GDBMZVCRSA-N 1 0 364.377 2.007 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000520639043 562160742 /nfs/dbraw/zinc/16/07/42/562160742.db2.gz QYDSAEWLEOOWQV-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000521030999 562168068 /nfs/dbraw/zinc/16/80/68/562168068.db2.gz LZMIYKGLPHEPLX-ZFWWWQNUSA-N 1 0 352.456 2.457 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000374439206 557884318 /nfs/dbraw/zinc/88/43/18/557884318.db2.gz JQTOTHWYDVLEPX-JKSUJKDBSA-N 1 0 356.338 2.070 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566654 557900454 /nfs/dbraw/zinc/90/04/54/557900454.db2.gz RMPPBYKRUGKAKL-WMLDXEAASA-N 1 0 373.409 2.363 20 5 FEBDRO Cn1ccnc1[C@@H](N[C@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717365 557920832 /nfs/dbraw/zinc/92/08/32/557920832.db2.gz MOBGDQZJPCKXPL-YOEHRIQHSA-N 1 0 352.398 2.288 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)C1CCN(c2cc[nH+]cc2)CC1 ZINC000374762001 557927070 /nfs/dbraw/zinc/92/70/70/557927070.db2.gz CMRRPCYTNWMXNF-UHFFFAOYSA-N 1 0 373.388 2.452 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000374763795 557927450 /nfs/dbraw/zinc/92/74/50/557927450.db2.gz QFTOTLAIPGHRFN-UOIKSKOESA-N 1 0 370.384 2.176 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375038735 557968096 /nfs/dbraw/zinc/96/80/96/557968096.db2.gz LVOPSONJDKXPAF-XHDPSFHLSA-N 1 0 352.822 2.213 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000521336072 562174526 /nfs/dbraw/zinc/17/45/26/562174526.db2.gz WKGUYJLFYFTJGI-ZDUSSCGKSA-N 1 0 370.837 2.463 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](n2cncn2)C1 ZINC000375326551 558009828 /nfs/dbraw/zinc/00/98/28/558009828.db2.gz DYYSWDDJQDCSMY-PWSUYJOCSA-N 1 0 364.793 2.114 20 5 FEBDRO C[N@H+](CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CCCCC1 ZINC000521385922 562175420 /nfs/dbraw/zinc/17/54/20/562175420.db2.gz NYEHXUYGAGUPHN-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO O=c1[nH]c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218956 558143342 /nfs/dbraw/zinc/14/33/42/558143342.db2.gz LWGVMNAJYQIDPT-PEYYIBSZSA-N 1 0 355.398 2.164 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000377411493 558335632 /nfs/dbraw/zinc/33/56/32/558335632.db2.gz LNFKTIQLXISASP-IEBWSBKVSA-N 1 0 355.442 2.434 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649450 562216608 /nfs/dbraw/zinc/21/66/08/562216608.db2.gz OLUBLODWZVOTNX-UKRRQHHQSA-N 1 0 363.414 2.046 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000408061672 558642162 /nfs/dbraw/zinc/64/21/62/558642162.db2.gz LJAQDDOLCCSSBW-GJZGRUSLSA-N 1 0 353.444 2.117 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000408371943 558671606 /nfs/dbraw/zinc/67/16/06/558671606.db2.gz GODUSSWQSKTECD-GDBMZVCRSA-N 1 0 367.471 2.262 20 5 FEBDRO COc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000411041757 558834727 /nfs/dbraw/zinc/83/47/27/558834727.db2.gz CTHFIWGRGUKSFX-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC[NH+](C(C)C)CC2)c1F ZINC000411200539 558852498 /nfs/dbraw/zinc/85/24/98/558852498.db2.gz IVVSXDIVGFKOAF-UHFFFAOYSA-N 1 0 353.394 2.274 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411401365 558888305 /nfs/dbraw/zinc/88/83/05/558888305.db2.gz XHYDFKMEGQXKRA-LRDDRELGSA-N 1 0 351.403 2.025 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000411448771 558896652 /nfs/dbraw/zinc/89/66/52/558896652.db2.gz RMNXTEIDBBMTKE-RBUKOAKNSA-N 1 0 373.453 2.269 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411549173 558915029 /nfs/dbraw/zinc/91/50/29/558915029.db2.gz ZUKMZFADZZABCA-AWEZNQCLSA-N 1 0 364.446 2.387 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687602 562252230 /nfs/dbraw/zinc/25/22/30/562252230.db2.gz BXCHEBQVQFYJHV-CYBMUJFWSA-N 1 0 370.475 2.169 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000411626475 558931480 /nfs/dbraw/zinc/93/14/80/558931480.db2.gz WTMYHNAUXKJHMH-XEZPLFJOSA-N 1 0 365.430 2.413 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000411652564 558936159 /nfs/dbraw/zinc/93/61/59/558936159.db2.gz UUTUXXCNLSYXER-UONOGXRCSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000411875855 558980606 /nfs/dbraw/zinc/98/06/06/558980606.db2.gz PIBJFSCMWQKBSM-HNNXBMFYSA-N 1 0 364.446 2.347 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000411891948 558983964 /nfs/dbraw/zinc/98/39/64/558983964.db2.gz IOYKMIKWUVXWHW-MJGOQNOKSA-N 1 0 355.394 2.460 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965594 558996455 /nfs/dbraw/zinc/99/64/55/558996455.db2.gz ANMRDNMCISRPDY-SJORKVTESA-N 1 0 355.394 2.304 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1[NH+](C)C ZINC000412218620 559020845 /nfs/dbraw/zinc/02/08/45/559020845.db2.gz RXVOKCSCBGCUKI-HOCLYGCPSA-N 1 0 367.471 2.500 20 5 FEBDRO COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+](C)C1 ZINC000414479917 559167924 /nfs/dbraw/zinc/16/79/24/559167924.db2.gz ADCZFQRUOKFUIG-AWEZNQCLSA-N 1 0 373.409 2.391 20 5 FEBDRO COC(=O)[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+](C)C1 ZINC000414484825 559168172 /nfs/dbraw/zinc/16/81/72/559168172.db2.gz HFNGJSBPLOWHDQ-HNNXBMFYSA-N 1 0 373.409 2.391 20 5 FEBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000414728736 559182756 /nfs/dbraw/zinc/18/27/56/559182756.db2.gz CTXXLUKDNFQDEV-UHFFFAOYSA-N 1 0 370.409 2.301 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414752339 559185049 /nfs/dbraw/zinc/18/50/49/559185049.db2.gz BRWNYTUSPDIQRR-NSHDSACASA-N 1 0 352.391 2.218 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000414949906 559196600 /nfs/dbraw/zinc/19/66/00/559196600.db2.gz OAAFKGNPEAWTBX-VHSXEESVSA-N 1 0 356.329 2.269 20 5 FEBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953359 559196936 /nfs/dbraw/zinc/19/69/36/559196936.db2.gz RLVJZLUJNQELKH-GZMMTYOYSA-N 1 0 374.344 2.431 20 5 FEBDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000415236147 559217166 /nfs/dbraw/zinc/21/71/66/559217166.db2.gz XQPBOIRPCUZUFM-ZDUSSCGKSA-N 1 0 370.409 2.254 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415597352 559254049 /nfs/dbraw/zinc/25/40/49/559254049.db2.gz JIVZQBQMSWFIDY-NEPJUHHUSA-N 1 0 364.402 2.281 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415709278 559264233 /nfs/dbraw/zinc/26/42/33/559264233.db2.gz YEVZTVIDKWGLIV-UFBFGSQYSA-N 1 0 357.208 2.477 20 5 FEBDRO Cc1c(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000415956751 559284874 /nfs/dbraw/zinc/28/48/74/559284874.db2.gz IYTRGCCDSPWYJD-AWEZNQCLSA-N 1 0 355.398 2.436 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421560 559311935 /nfs/dbraw/zinc/31/19/35/559311935.db2.gz DHNVQINQFXDBJM-QWHCGFSZSA-N 1 0 353.444 2.115 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1C ZINC000416428328 559312292 /nfs/dbraw/zinc/31/22/92/559312292.db2.gz UCIGBQCKOOJIOB-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000416991756 559342527 /nfs/dbraw/zinc/34/25/27/559342527.db2.gz CRGDZGSQABRUFA-KBPBESRZSA-N 1 0 350.419 2.130 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417198221 559352536 /nfs/dbraw/zinc/35/25/36/559352536.db2.gz QTJXSCXVWQNQKP-CABCVRRESA-N 1 0 362.430 2.135 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417198223 559352617 /nfs/dbraw/zinc/35/26/17/559352617.db2.gz QTJXSCXVWQNQKP-HUUCEWRRSA-N 1 0 362.430 2.135 20 5 FEBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303292 559356718 /nfs/dbraw/zinc/35/67/18/559356718.db2.gz AFUBBLQRRNYRJO-NVXWUHKLSA-N 1 0 367.471 2.376 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000418362404 559399156 /nfs/dbraw/zinc/39/91/56/559399156.db2.gz LZMFHKAPKNDSGS-OAHLLOKOSA-N 1 0 364.450 2.045 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775896 559415393 /nfs/dbraw/zinc/41/53/93/559415393.db2.gz WNLVKHCQCPFXJJ-CQSZACIVSA-N 1 0 354.357 2.266 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000420277121 559478384 /nfs/dbraw/zinc/47/83/84/559478384.db2.gz IFUWCTGEVDLCHD-JOUKPKRSSA-N 1 0 360.458 2.355 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279905 559478537 /nfs/dbraw/zinc/47/85/37/559478537.db2.gz XRJSHEHQOKYRDN-SWLSCSKDSA-N 1 0 350.419 2.134 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420395777 559485232 /nfs/dbraw/zinc/48/52/32/559485232.db2.gz CEVXTISDIJGRRX-GXTWGEPZSA-N 1 0 370.409 2.320 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420409760 559486244 /nfs/dbraw/zinc/48/62/44/559486244.db2.gz QTQCGPPALNVSMC-QGZVFWFLSA-N 1 0 370.409 2.188 20 5 FEBDRO CN(C(=O)CN1CC[NH2+]C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000420410891 559486340 /nfs/dbraw/zinc/48/63/40/559486340.db2.gz RMSUCKBWHNUNMM-SFHVURJKSA-N 1 0 354.410 2.204 20 5 FEBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420446196 559487796 /nfs/dbraw/zinc/48/77/96/559487796.db2.gz SXRCHULFLHOUCB-MRVPVSSYSA-N 1 0 355.338 2.019 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000420461246 559488627 /nfs/dbraw/zinc/48/86/27/559488627.db2.gz RVWISDKOPCIIFW-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421023079 559520303 /nfs/dbraw/zinc/52/03/03/559520303.db2.gz VVWFMKMRWZBPQZ-CQSZACIVSA-N 1 0 365.430 2.417 20 5 FEBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421032180 559521040 /nfs/dbraw/zinc/52/10/40/559521040.db2.gz LHEXUHOIJGWBFT-CYBMUJFWSA-N 1 0 351.403 2.015 20 5 FEBDRO COC1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOCC1 ZINC000421039014 559521433 /nfs/dbraw/zinc/52/14/33/559521433.db2.gz VBABEUQHHVVQTK-GFCCVEGCSA-N 1 0 352.387 2.135 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000421769087 559552666 /nfs/dbraw/zinc/55/26/66/559552666.db2.gz QMIAKFMHHJDPGR-INIZCTEOSA-N 1 0 361.442 2.396 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422632227 559598895 /nfs/dbraw/zinc/59/88/95/559598895.db2.gz GLLRUQBFTNAFBP-IHRRRGAJSA-N 1 0 364.446 2.237 20 5 FEBDRO CC(C)(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423956530 559647903 /nfs/dbraw/zinc/64/79/03/559647903.db2.gz URUAAZPKZKCRKU-UHFFFAOYSA-N 1 0 374.485 2.205 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423969793 559648403 /nfs/dbraw/zinc/64/84/03/559648403.db2.gz JEYQIELPISCXRE-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423993581 559649489 /nfs/dbraw/zinc/64/94/89/559649489.db2.gz AYOJPTRYFPLYMO-UHFFFAOYSA-N 1 0 370.409 2.131 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000423994456 559649798 /nfs/dbraw/zinc/64/97/98/559649798.db2.gz SREWKWXERFTTHW-OAHLLOKOSA-N 1 0 356.382 2.057 20 5 FEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000423999228 559649994 /nfs/dbraw/zinc/64/99/94/559649994.db2.gz AZTWIAMGMCJMEB-PWSUYJOCSA-N 1 0 370.247 2.343 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000424013253 559651058 /nfs/dbraw/zinc/65/10/58/559651058.db2.gz KIYPNFGCTLIHLI-VXGBXAGGSA-N 1 0 351.403 2.059 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424030358 559651913 /nfs/dbraw/zinc/65/19/13/559651913.db2.gz ZXNWGHSVKGNECY-SDDRHHMPSA-N 1 0 355.822 2.459 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000424081135 559654226 /nfs/dbraw/zinc/65/42/26/559654226.db2.gz WHVNPWWDFYYEMJ-MGPQQGTHSA-N 1 0 357.414 2.226 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424391452 559662745 /nfs/dbraw/zinc/66/27/45/559662745.db2.gz NBMZPWVJDGPHGQ-CYBMUJFWSA-N 1 0 353.444 2.056 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425044763 559684968 /nfs/dbraw/zinc/68/49/68/559684968.db2.gz RZDUVRHVQAPFEY-UHFFFAOYSA-N 1 0 364.431 2.194 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429630 559701979 /nfs/dbraw/zinc/70/19/79/559701979.db2.gz AFABFWSCUYGBQZ-RYUDHWBXSA-N 1 0 356.220 2.491 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000425478827 559704496 /nfs/dbraw/zinc/70/44/96/559704496.db2.gz NESYJJKXRBTIEW-INIZCTEOSA-N 1 0 364.446 2.204 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000425479552 559704539 /nfs/dbraw/zinc/70/45/39/559704539.db2.gz PXIYJSWYJQFLCU-WCQYABFASA-N 1 0 359.220 2.234 20 5 FEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000428951289 559786540 /nfs/dbraw/zinc/78/65/40/559786540.db2.gz ISYYQGDTSKJBNX-JQWIXIFHSA-N 1 0 370.247 2.404 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988668 559787506 /nfs/dbraw/zinc/78/75/06/559787506.db2.gz AKLUWSOZYNPPCB-VCBZYWHSSA-N 1 0 372.469 2.146 20 5 FEBDRO O=C1[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226496 559793190 /nfs/dbraw/zinc/79/31/90/559793190.db2.gz KUHYNZYOHGYBOC-DYVFJYSZSA-N 1 0 353.378 2.163 20 5 FEBDRO COC(=O)C[C@@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000429682078 559803821 /nfs/dbraw/zinc/80/38/21/559803821.db2.gz MNFRLZWDROTQEC-GOSISDBHSA-N 1 0 359.382 2.437 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774799 559805393 /nfs/dbraw/zinc/80/53/93/559805393.db2.gz VAQZHRJAQZAXHD-HONMWMINSA-N 1 0 359.386 2.210 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC([NH2+]CC2CC2)CC1 ZINC000430554343 559822435 /nfs/dbraw/zinc/82/24/35/559822435.db2.gz GBVJWEMIJQOCJU-UHFFFAOYSA-N 1 0 374.441 2.357 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180029 559853571 /nfs/dbraw/zinc/85/35/71/559853571.db2.gz TXRJDOXHQGUFOZ-UKRRQHHQSA-N 1 0 372.425 2.320 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000433058732 559870795 /nfs/dbraw/zinc/87/07/95/559870795.db2.gz RBOYOJBVLQMHCV-GOSISDBHSA-N 1 0 357.410 2.459 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000433749534 559887302 /nfs/dbraw/zinc/88/73/02/559887302.db2.gz WFMTVBPHZTYIIR-UHFFFAOYSA-N 1 0 360.418 2.040 20 5 FEBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435388625 559922036 /nfs/dbraw/zinc/92/20/36/559922036.db2.gz HWXNAUNQQPOXKG-UHFFFAOYSA-N 1 0 374.466 2.187 20 5 FEBDRO Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000435609111 559926106 /nfs/dbraw/zinc/92/61/06/559926106.db2.gz XTDNKSYGNFCRNY-LLVKDONJSA-N 1 0 350.400 2.205 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000439478802 559995036 /nfs/dbraw/zinc/99/50/36/559995036.db2.gz ODNAYIWWPPMOLI-GOSISDBHSA-N 1 0 350.415 2.429 20 5 FEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]2CCCO[C@@H]21 ZINC000439623480 559998196 /nfs/dbraw/zinc/99/81/96/559998196.db2.gz RJNHZSLTRGSELI-VQHPVUNQSA-N 1 0 359.426 2.493 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000440516864 560013294 /nfs/dbraw/zinc/01/32/94/560013294.db2.gz RTNXSHVHXMDKIE-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443869997 560095004 /nfs/dbraw/zinc/09/50/04/560095004.db2.gz RMJVOHHAADPQKV-OAHLLOKOSA-N 1 0 372.425 2.403 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447933926 560173878 /nfs/dbraw/zinc/17/38/78/560173878.db2.gz YSYWUGPWCGNHDP-OAHLLOKOSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447939356 560174059 /nfs/dbraw/zinc/17/40/59/560174059.db2.gz KAFLHKAQXUJQJV-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447941521 560174161 /nfs/dbraw/zinc/17/41/61/560174161.db2.gz KSAIEMRBQXIMPM-OAHLLOKOSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000448259692 560182247 /nfs/dbraw/zinc/18/22/47/560182247.db2.gz GGGNCHWQTOKDSW-OAHLLOKOSA-N 1 0 374.445 2.391 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448932454 560207494 /nfs/dbraw/zinc/20/74/94/560207494.db2.gz JATISFMYBVLPCZ-GFCCVEGCSA-N 1 0 351.378 2.443 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000449093847 560215703 /nfs/dbraw/zinc/21/57/03/560215703.db2.gz PUWUSEUQCCFDAB-YJBOKZPZSA-N 1 0 365.499 2.323 20 5 FEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449580480 560234058 /nfs/dbraw/zinc/23/40/58/560234058.db2.gz QTUWGCWOWVGKNP-CABCVRRESA-N 1 0 350.371 2.283 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000449638584 560235255 /nfs/dbraw/zinc/23/52/55/560235255.db2.gz LFWINVQSDXAMLM-NEPJUHHUSA-N 1 0 351.403 2.249 20 5 FEBDRO Cn1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449641706 560235369 /nfs/dbraw/zinc/23/53/69/560235369.db2.gz DRPGGYYHWPWLLM-OCCSQVGLSA-N 1 0 357.414 2.243 20 5 FEBDRO CC(C)(C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449669674 560236192 /nfs/dbraw/zinc/23/61/92/560236192.db2.gz NHYAOGMPONHSOJ-SJORKVTESA-N 1 0 361.442 2.227 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cn1 ZINC000449675537 560236301 /nfs/dbraw/zinc/23/63/01/560236301.db2.gz AKLIHNLNLQXQED-GFCCVEGCSA-N 1 0 362.386 2.214 20 5 FEBDRO CC(C)(C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000449689583 560236993 /nfs/dbraw/zinc/23/69/93/560236993.db2.gz KFFKCBUUWVUMJX-OAHLLOKOSA-N 1 0 361.442 2.086 20 5 FEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884293 560244084 /nfs/dbraw/zinc/24/40/84/560244084.db2.gz OOZSODLSBWXBMG-GOEBONIOSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450959398 560279992 /nfs/dbraw/zinc/27/99/92/560279992.db2.gz YENWFUSOFBZNFZ-ZDUSSCGKSA-N 1 0 360.389 2.299 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451003289 560281810 /nfs/dbraw/zinc/28/18/10/560281810.db2.gz DVLGESVHVJQNFX-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335600 560300987 /nfs/dbraw/zinc/30/09/87/560300987.db2.gz DEHZQZPQZRHRSJ-UHOSZYNNSA-N 1 0 373.453 2.499 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476448 560309301 /nfs/dbraw/zinc/30/93/01/560309301.db2.gz FUZWIVVTFHXFSG-JCURWCKSSA-N 1 0 363.414 2.335 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763678 560327315 /nfs/dbraw/zinc/32/73/15/560327315.db2.gz SXJGBOZAYJOHDX-GOEBONIOSA-N 1 0 369.425 2.479 20 5 FEBDRO CO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826201 560331053 /nfs/dbraw/zinc/33/10/53/560331053.db2.gz FENYPTNHAAPOGG-BHYGNILZSA-N 1 0 350.415 2.224 20 5 FEBDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452036256 560346988 /nfs/dbraw/zinc/34/69/88/560346988.db2.gz IMCBOZKSHTUOKQ-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452115272 560352131 /nfs/dbraw/zinc/35/21/31/560352131.db2.gz BHJWPOWTLDCGNS-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000453092460 560383019 /nfs/dbraw/zinc/38/30/19/560383019.db2.gz QTVCJBJJBVKFOF-MRXNPFEDSA-N 1 0 353.444 2.041 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000454530226 560448335 /nfs/dbraw/zinc/44/83/35/560448335.db2.gz XNBSGIHVGOCDBP-SKDRFNHKSA-N 1 0 356.329 2.364 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000454890332 560462422 /nfs/dbraw/zinc/46/24/22/560462422.db2.gz MQQWGIDGGFFDOX-RISCZKNCSA-N 1 0 372.347 2.459 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455094920 560469964 /nfs/dbraw/zinc/46/99/64/560469964.db2.gz POTDWDBZNJDKHZ-YOEHRIQHSA-N 1 0 364.446 2.312 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000455148829 560471818 /nfs/dbraw/zinc/47/18/18/560471818.db2.gz ABVQJTOPBYRFSI-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO CNc1nc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000455678577 560491513 /nfs/dbraw/zinc/49/15/13/560491513.db2.gz ZKJPXUBVXFRQCB-UHFFFAOYSA-N 1 0 361.446 2.368 20 5 FEBDRO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000456326724 560515588 /nfs/dbraw/zinc/51/55/88/560515588.db2.gz GRVLQDQMMOTMLI-MRXNPFEDSA-N 1 0 371.441 2.162 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456335242 560515773 /nfs/dbraw/zinc/51/57/73/560515773.db2.gz AHWSQFOHWFXHJQ-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457047760 560545698 /nfs/dbraw/zinc/54/56/98/560545698.db2.gz ICEVRULPABDZKI-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457386885 560564561 /nfs/dbraw/zinc/56/45/61/560564561.db2.gz UGIJUZNSIRSZRB-DOTOQJQBSA-N 1 0 358.373 2.394 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000458159323 560605988 /nfs/dbraw/zinc/60/59/88/560605988.db2.gz FAJBNEAMMYUSFJ-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c(C)nn(C)c1C ZINC000459577842 560695521 /nfs/dbraw/zinc/69/55/21/560695521.db2.gz WNVXVLXVILZKLM-UHFFFAOYSA-N 1 0 362.430 2.473 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459659511 560700405 /nfs/dbraw/zinc/70/04/05/560700405.db2.gz KJLUVNXXMDYWBK-GFCCVEGCSA-N 1 0 362.352 2.472 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750872 560706235 /nfs/dbraw/zinc/70/62/35/560706235.db2.gz HSGUCAKBYGOPTQ-JKSUJKDBSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459756098 560706342 /nfs/dbraw/zinc/70/63/42/560706342.db2.gz KCTFUUVHDCBMQR-CVEARBPZSA-N 1 0 363.414 2.479 20 5 FEBDRO CSC1(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000460978690 560757914 /nfs/dbraw/zinc/75/79/14/560757914.db2.gz PMUZPKSANCXTDR-UHFFFAOYSA-N 1 0 363.443 2.028 20 5 FEBDRO COC(=O)c1cc(C)nc(N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000461951380 560789410 /nfs/dbraw/zinc/78/94/10/560789410.db2.gz XCGJYYUDBUWSHW-UHFFFAOYSA-N 1 0 350.419 2.395 20 5 FEBDRO COc1cc(C[NH2+]CCc2cn3c(n2)SCC3)c([N+](=O)[O-])cc1OC ZINC000466471315 560887723 /nfs/dbraw/zinc/88/77/23/560887723.db2.gz CAXHNBDYCWBWRC-UHFFFAOYSA-N 1 0 364.427 2.247 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000470133315 560975082 /nfs/dbraw/zinc/97/50/82/560975082.db2.gz AXNQWQPTIVRKIK-HOTGVXAUSA-N 1 0 366.393 2.233 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000470555263 560984537 /nfs/dbraw/zinc/98/45/37/560984537.db2.gz FSVYIXAZEIRICI-UHFFFAOYSA-N 1 0 359.430 2.145 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000471564052 561007343 /nfs/dbraw/zinc/00/73/43/561007343.db2.gz REDJOOQULCUYOL-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802013 561012106 /nfs/dbraw/zinc/01/21/06/561012106.db2.gz YWIUUFWTKZTAIU-JKSUJKDBSA-N 1 0 371.441 2.439 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2OCCO)n1 ZINC000472620038 561031210 /nfs/dbraw/zinc/03/12/10/561031210.db2.gz GXEWEVOLHTYVKI-JKSUJKDBSA-N 1 0 360.414 2.436 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016475 561063581 /nfs/dbraw/zinc/06/35/81/561063581.db2.gz YHSIUYYXBIQNTB-QZTJIDSGSA-N 1 0 364.398 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016476 561063666 /nfs/dbraw/zinc/06/36/66/561063666.db2.gz YHSIUYYXBIQNTB-ROUUACIJSA-N 1 0 364.398 2.194 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000474190695 561068036 /nfs/dbraw/zinc/06/80/36/561068036.db2.gz RCOUXRYDKHDVHI-GFCCVEGCSA-N 1 0 353.448 2.241 20 5 FEBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926812 561085618 /nfs/dbraw/zinc/08/56/18/561085618.db2.gz BXUDEVMOGZBBFJ-BBRMVZONSA-N 1 0 356.444 2.163 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000475709464 561102880 /nfs/dbraw/zinc/10/28/80/561102880.db2.gz LRSGMMPFCQCSDW-UHFFFAOYSA-N 1 0 365.411 2.278 20 5 FEBDRO C[NH+](C)CCOc1ccccc1C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476182356 561112539 /nfs/dbraw/zinc/11/25/39/561112539.db2.gz POLBJLPFDTYSPE-UHFFFAOYSA-N 1 0 370.409 2.129 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477068915 561135769 /nfs/dbraw/zinc/13/57/69/561135769.db2.gz KACYIOMTCIUVCD-LJQANCHMSA-N 1 0 359.426 2.377 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000530547105 562415537 /nfs/dbraw/zinc/41/55/37/562415537.db2.gz APQBEGGJLXLFBX-MRXNPFEDSA-N 1 0 374.393 2.278 20 5 FEBDRO COc1cc(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291432 562441001 /nfs/dbraw/zinc/44/10/01/562441001.db2.gz XRPWUTUXBLSYPR-CHWSQXEVSA-N 1 0 365.430 2.144 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531296704 562441187 /nfs/dbraw/zinc/44/11/87/562441187.db2.gz NXKGNNPHSHDEPS-CYBMUJFWSA-N 1 0 361.398 2.127 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]CC2CCCCCC2)c1 ZINC000531489423 562447781 /nfs/dbraw/zinc/44/77/81/562447781.db2.gz LOTSKJMVQGPUBJ-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000531768410 562456096 /nfs/dbraw/zinc/45/60/96/562456096.db2.gz WLIJTZAIUQOJGV-KBPBESRZSA-N 1 0 361.398 2.346 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000533447320 562509217 /nfs/dbraw/zinc/50/92/17/562509217.db2.gz JSCSWVLUYUHFAY-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536509131 562577375 /nfs/dbraw/zinc/57/73/75/562577375.db2.gz DGTNQOSPJFWQFC-VMGRFDJRSA-N 1 0 372.425 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000541819135 562620470 /nfs/dbraw/zinc/62/04/70/562620470.db2.gz MHKXRLLMMRGVQZ-CYBMUJFWSA-N 1 0 355.460 2.222 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556201710 674391888 /nfs/dbraw/zinc/39/18/88/674391888.db2.gz VPWQLIKYMLQGER-RRFJBIMHSA-N 1 0 351.451 2.417 20 5 FEBDRO Cc1c(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000568620896 568099711 /nfs/dbraw/zinc/09/97/11/568099711.db2.gz QYLJBSTXJPADSG-AWEZNQCLSA-N 1 0 360.366 2.161 20 5 FEBDRO COc1cc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000568975389 568259947 /nfs/dbraw/zinc/25/99/47/568259947.db2.gz DSDGWJREPBVDBR-MRXNPFEDSA-N 1 0 360.410 2.484 20 5 FEBDRO Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568976687 568260003 /nfs/dbraw/zinc/26/00/03/568260003.db2.gz CLIUJKYOLMZEQC-HIFRSBDPSA-N 1 0 350.444 2.231 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395283 568400481 /nfs/dbraw/zinc/40/04/81/568400481.db2.gz OKMDDMRGNYRCCM-DHSIGJKJSA-N 1 0 361.442 2.471 20 5 FEBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000569920781 568436567 /nfs/dbraw/zinc/43/65/67/568436567.db2.gz MDHXDFMMRQOGEQ-JCGIZDLHSA-N 1 0 350.415 2.129 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000556571250 674406931 /nfs/dbraw/zinc/40/69/31/674406931.db2.gz CTCWXVRCAVCMHS-CQSZACIVSA-N 1 0 351.447 2.345 20 5 FEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CCCCC1 ZINC000736758771 598499441 /nfs/dbraw/zinc/49/94/41/598499441.db2.gz HZTPMTFMFNHLHF-CQSZACIVSA-N 1 0 360.422 2.092 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(O)CCC2)c1 ZINC000558491157 674499786 /nfs/dbraw/zinc/49/97/86/674499786.db2.gz YRPWTYXAYIBEIK-UHFFFAOYSA-N 1 0 362.167 2.204 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000559139627 674529531 /nfs/dbraw/zinc/52/95/31/674529531.db2.gz XSVYJFOMTUHBBZ-UHFFFAOYSA-N 1 0 355.460 2.280 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000810120785 674533679 /nfs/dbraw/zinc/53/36/79/674533679.db2.gz QOYRDLQPZSSVAF-LBPRGKRZSA-N 1 0 361.439 2.441 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000561750024 674695594 /nfs/dbraw/zinc/69/55/94/674695594.db2.gz NEFMEYHKOALFHT-CABCVRRESA-N 1 0 369.487 2.221 20 5 FEBDRO CSC1(CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000813281346 674733166 /nfs/dbraw/zinc/73/31/66/674733166.db2.gz CHEFIJVWBVOHPK-UHFFFAOYSA-N 1 0 359.398 2.430 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000564309141 674993314 /nfs/dbraw/zinc/99/33/14/674993314.db2.gz AEPVVKOBLJQGPV-LBPRGKRZSA-N 1 0 351.403 2.491 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000564309140 674993342 /nfs/dbraw/zinc/99/33/42/674993342.db2.gz AEPVVKOBLJQGPV-GFCCVEGCSA-N 1 0 351.403 2.491 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000564967192 675083057 /nfs/dbraw/zinc/08/30/57/675083057.db2.gz SWBQIDAJPRTYHZ-NWDGAFQWSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047144458 670235122 /nfs/dbraw/zinc/23/51/22/670235122.db2.gz BHSQVGUGDDOJBT-LLVKDONJSA-N 1 0 350.375 2.416 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816945545 675089573 /nfs/dbraw/zinc/08/95/73/675089573.db2.gz JHEHUVOZTJFKOT-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565417163 675119773 /nfs/dbraw/zinc/11/97/73/675119773.db2.gz OWYVMPZTJGOZKQ-OAHLLOKOSA-N 1 0 369.487 2.079 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000093008173 670747640 /nfs/dbraw/zinc/74/76/40/670747640.db2.gz UXLNJZHNGUANLP-NEPJUHHUSA-N 1 0 359.423 2.193 20 5 FEBDRO C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000571696816 670913198 /nfs/dbraw/zinc/91/31/98/670913198.db2.gz PJSHGMPSMZTRGH-UWVGGRQHSA-N 1 0 371.235 2.107 20 5 FEBDRO Cc1ccc(OCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000573040072 671074158 /nfs/dbraw/zinc/07/41/58/671074158.db2.gz PCGVTWUXLYUDHE-UHFFFAOYSA-N 1 0 364.423 2.346 20 5 FEBDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573041434 671074188 /nfs/dbraw/zinc/07/41/88/671074188.db2.gz MWIMHSSCBFRBDB-CQSZACIVSA-N 1 0 369.487 2.477 20 5 FEBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3n[nH]cc3[N+](=O)[O-])C2)s1 ZINC000566059654 675176538 /nfs/dbraw/zinc/17/65/38/675176538.db2.gz QULPPEAABAEQLO-LBPRGKRZSA-N 1 0 363.443 2.282 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566103449 675181048 /nfs/dbraw/zinc/18/10/48/675181048.db2.gz PMNDWXKCUXOYHX-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000817863488 675183483 /nfs/dbraw/zinc/18/34/83/675183483.db2.gz BVWBIFIQLIHMON-OUAUKWLOSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1cccc(OCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000574684244 671267949 /nfs/dbraw/zinc/26/79/49/671267949.db2.gz JODXFDSSELGJMK-UHFFFAOYSA-N 1 0 364.423 2.346 20 5 FEBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108206 675181264 /nfs/dbraw/zinc/18/12/64/675181264.db2.gz DMJYTVOHVHHFOC-VYDXJSESSA-N 1 0 351.447 2.045 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000818002788 675189792 /nfs/dbraw/zinc/18/97/92/675189792.db2.gz GETIEADOHNYCNL-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO CSc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000566212282 675194145 /nfs/dbraw/zinc/19/41/45/675194145.db2.gz PLWRIRUNJYIKLW-ZDUSSCGKSA-N 1 0 365.455 2.144 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000609138472 675911578 /nfs/dbraw/zinc/91/15/78/675911578.db2.gz NTVIQYGKBQHPPN-UHFFFAOYSA-N 1 0 361.489 2.397 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471165 675923324 /nfs/dbraw/zinc/92/33/24/675923324.db2.gz DNZWBLWTWJWZNU-CQSZACIVSA-N 1 0 350.419 2.147 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000578236986 671651007 /nfs/dbraw/zinc/65/10/07/671651007.db2.gz UJVABHNTCJYSRU-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000609564900 675926902 /nfs/dbraw/zinc/92/69/02/675926902.db2.gz MVPLAZZJHGUGRQ-UHFFFAOYSA-N 1 0 366.487 2.415 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578491951 671669011 /nfs/dbraw/zinc/66/90/11/671669011.db2.gz RNHHTINERNZHJZ-KBPBESRZSA-N 1 0 353.444 2.198 20 5 FEBDRO CSc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609624243 675929551 /nfs/dbraw/zinc/92/95/51/675929551.db2.gz VMHBJQDGHMPBED-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000579006768 671705678 /nfs/dbraw/zinc/70/56/78/671705678.db2.gz PXFTXEJANXSHLO-PBWFPOADSA-N 1 0 353.444 2.061 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000609673379 675931860 /nfs/dbraw/zinc/93/18/60/675931860.db2.gz DFXYPQLVFALPNY-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609793312 675936339 /nfs/dbraw/zinc/93/63/39/675936339.db2.gz HDQQIVDNWXBMLE-HNNXBMFYSA-N 1 0 369.849 2.360 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000580193500 671789399 /nfs/dbraw/zinc/78/93/99/671789399.db2.gz FNCRQVAUAPEPNT-LBPRGKRZSA-N 1 0 353.806 2.076 20 5 FEBDRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000580209947 671790591 /nfs/dbraw/zinc/79/05/91/671790591.db2.gz SEAKJKSHVPUGET-JKSUJKDBSA-N 1 0 366.487 2.209 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000580783899 671833454 /nfs/dbraw/zinc/83/34/54/671833454.db2.gz NVQZJPUMOITWMZ-INIZCTEOSA-N 1 0 367.471 2.376 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581477865 671901387 /nfs/dbraw/zinc/90/13/87/671901387.db2.gz IJJXZPLOGNVEAD-OAHLLOKOSA-N 1 0 350.419 2.051 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000610133848 675955884 /nfs/dbraw/zinc/95/58/84/675955884.db2.gz ZPUXDFBEVISYOL-CHWSQXEVSA-N 1 0 355.460 2.307 20 5 FEBDRO COCCN1[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000121824600 671958547 /nfs/dbraw/zinc/95/85/47/671958547.db2.gz XXXOMHVRWVRKSP-TXEJJXNPSA-N 1 0 355.822 2.429 20 5 FEBDRO Cc1nc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000582415642 672000328 /nfs/dbraw/zinc/00/03/28/672000328.db2.gz FDWYSYHQSCAQTQ-CYBMUJFWSA-N 1 0 351.428 2.240 20 5 FEBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610368489 675967988 /nfs/dbraw/zinc/96/79/88/675967988.db2.gz BURLATLWHWXKEZ-ZDUSSCGKSA-N 1 0 352.387 2.400 20 5 FEBDRO COC(=O)C[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610368487 675968144 /nfs/dbraw/zinc/96/81/44/675968144.db2.gz BURLATLWHWXKEZ-CYBMUJFWSA-N 1 0 352.387 2.400 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000582724381 672028599 /nfs/dbraw/zinc/02/85/99/672028599.db2.gz QOQDKEDTDJTEEH-CYBMUJFWSA-N 1 0 355.460 2.120 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582790404 672034318 /nfs/dbraw/zinc/03/43/18/672034318.db2.gz OPEYPVBXQRYWFW-CHWSQXEVSA-N 1 0 373.500 2.089 20 5 FEBDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129127021 672057504 /nfs/dbraw/zinc/05/75/04/672057504.db2.gz QPKOCZKHFLGVPA-MRXNPFEDSA-N 1 0 355.366 2.384 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000610576943 675982621 /nfs/dbraw/zinc/98/26/21/675982621.db2.gz KAXKJDTUFYQMKV-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1csc([C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000584586475 672202457 /nfs/dbraw/zinc/20/24/57/672202457.db2.gz BJDJLOZYZPONQS-YPMHNXCESA-N 1 0 351.428 2.493 20 5 FEBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000584587681 672202565 /nfs/dbraw/zinc/20/25/65/672202565.db2.gz VPYHKTYFDUBRGH-ONGXEEELSA-N 1 0 360.336 2.140 20 5 FEBDRO CC(C)(C)OC(=O)NCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882750 672396467 /nfs/dbraw/zinc/39/64/67/672396467.db2.gz YXUQNVNKIJERJV-LBPRGKRZSA-N 1 0 351.407 2.001 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2cncn2C1 ZINC000587036168 672439949 /nfs/dbraw/zinc/43/99/49/672439949.db2.gz MBUISCGLCRUHBZ-PWSUYJOCSA-N 1 0 364.789 2.343 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590043745 672555093 /nfs/dbraw/zinc/55/50/93/672555093.db2.gz FLFNMYFYBYJWPG-WFASDCNBSA-N 1 0 358.423 2.494 20 5 FEBDRO CSc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590398994 672578285 /nfs/dbraw/zinc/57/82/85/672578285.db2.gz BEISQTHAVKJSAJ-UKRRQHHQSA-N 1 0 365.455 2.252 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400450 672578663 /nfs/dbraw/zinc/57/86/63/672578663.db2.gz USAMLCQTXZVJBI-GJZGRUSLSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400454 672578818 /nfs/dbraw/zinc/57/88/18/672578818.db2.gz USAMLCQTXZVJBI-HUUCEWRRSA-N 1 0 353.806 2.183 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1SC ZINC000590445425 672583516 /nfs/dbraw/zinc/58/35/16/672583516.db2.gz LWHLAYJGNFOGCJ-GXFFZTMASA-N 1 0 351.428 2.101 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000590590238 672593394 /nfs/dbraw/zinc/59/33/94/672593394.db2.gz AWHUSSIKLXJETJ-GFCCVEGCSA-N 1 0 359.423 2.195 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519194 676042251 /nfs/dbraw/zinc/04/22/51/676042251.db2.gz CMRRQXQEXIVKEE-GFCCVEGCSA-N 1 0 359.373 2.431 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000591144287 672654281 /nfs/dbraw/zinc/65/42/81/672654281.db2.gz HQVMRKJJWFVAJT-QWHCGFSZSA-N 1 0 360.336 2.044 20 5 FEBDRO COc1cc(CN[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591278441 672664524 /nfs/dbraw/zinc/66/45/24/672664524.db2.gz BUXXSGLYMLEZEG-GFCCVEGCSA-N 1 0 359.373 2.479 20 5 FEBDRO COc1cc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000591448457 672682064 /nfs/dbraw/zinc/68/20/64/672682064.db2.gz ICXQBVGVFPVGFK-PWSUYJOCSA-N 1 0 357.357 2.389 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000591686015 672701520 /nfs/dbraw/zinc/70/15/20/672701520.db2.gz LNPICKQSSZARFW-HZMBPMFUSA-N 1 0 353.806 2.274 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)c([N+](=O)[O-])cc1OC ZINC000592331006 672788427 /nfs/dbraw/zinc/78/84/27/672788427.db2.gz GHUVLQDFSQXIDG-WCQYABFASA-N 1 0 351.403 2.202 20 5 FEBDRO COc1cc(C(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000592331543 672788432 /nfs/dbraw/zinc/78/84/32/672788432.db2.gz UTMHYZSDHGHMMJ-UHFFFAOYSA-N 1 0 359.329 2.158 20 5 FEBDRO CC(C)C[C@@H]([NH3+])c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000592353453 672790884 /nfs/dbraw/zinc/79/08/84/672790884.db2.gz WEFKGEDVXSTJCJ-SNVBAGLBSA-N 1 0 365.415 2.415 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCC(F)(F)CC1 ZINC000592365652 672792220 /nfs/dbraw/zinc/79/22/20/672792220.db2.gz MOEZXYFGMUNHLC-UHFFFAOYSA-N 1 0 363.386 2.041 20 5 FEBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@@]1(O)CCOC1 ZINC000592396128 672797098 /nfs/dbraw/zinc/79/70/98/672797098.db2.gz HNZKITVGRGXKEP-JKIFEVAISA-N 1 0 352.435 2.042 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])CCO2 ZINC000592898445 672852397 /nfs/dbraw/zinc/85/23/97/672852397.db2.gz HRHGSPRYNGCKFA-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066557 672871311 /nfs/dbraw/zinc/87/13/11/672871311.db2.gz NOYJIQAJPJWYMC-BLLLJJGKSA-N 1 0 364.833 2.467 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027708 673022213 /nfs/dbraw/zinc/02/22/13/673022213.db2.gz YPWOIYUAUNUGIT-CRAIPNDOSA-N 1 0 350.415 2.368 20 5 FEBDRO [NH3+]C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450872 673074116 /nfs/dbraw/zinc/07/41/16/673074116.db2.gz CFVKLUFIYDNQFS-VIFPVBQESA-N 1 0 357.741 2.346 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594484378 673088525 /nfs/dbraw/zinc/08/85/25/673088525.db2.gz QJUOVQVGWIICJW-ZIAGYGMSSA-N 1 0 357.407 2.029 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484778 673088638 /nfs/dbraw/zinc/08/86/38/673088638.db2.gz UJGOKUYLECJVGC-LSDHHAIUSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594485004 673088907 /nfs/dbraw/zinc/08/89/07/673088907.db2.gz ZSVYZUUKXIISDF-HUUCEWRRSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594484977 673089210 /nfs/dbraw/zinc/08/92/10/673089210.db2.gz ZSVYZUUKXIISDF-CABCVRRESA-N 1 0 353.444 2.198 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754085 673130207 /nfs/dbraw/zinc/13/02/07/673130207.db2.gz OELNINMGJJEJLC-ZDUSSCGKSA-N 1 0 370.475 2.169 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788072 673141987 /nfs/dbraw/zinc/14/19/87/673141987.db2.gz DDVHMWNGZOXIKJ-LBPRGKRZSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594788942 673143078 /nfs/dbraw/zinc/14/30/78/673143078.db2.gz IJCBLZJQJPDNPG-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594800464 673147630 /nfs/dbraw/zinc/14/76/30/673147630.db2.gz GBHDMAMYLWYLBZ-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000594820296 673152394 /nfs/dbraw/zinc/15/23/94/673152394.db2.gz ANHQRILQRKYDOK-SECBINFHSA-N 1 0 369.365 2.232 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595006181 673185498 /nfs/dbraw/zinc/18/54/98/673185498.db2.gz GJCZCVJVEMGALV-GFCCVEGCSA-N 1 0 371.459 2.068 20 5 FEBDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000595020474 673186711 /nfs/dbraw/zinc/18/67/11/673186711.db2.gz ZFJROZCCHSXVND-WWGRRREGSA-N 1 0 367.471 2.287 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000595120957 673197264 /nfs/dbraw/zinc/19/72/64/673197264.db2.gz QHKQZTLAHKWUMI-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000595121025 673197272 /nfs/dbraw/zinc/19/72/72/673197272.db2.gz TXAHZWPMJREHPJ-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595121066 673197575 /nfs/dbraw/zinc/19/75/75/673197575.db2.gz USPPSCZQJBXONC-ZDUSSCGKSA-N 1 0 353.444 2.110 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340354 673227875 /nfs/dbraw/zinc/22/78/75/673227875.db2.gz RWXANEWXSAPIAI-KRWDZBQOSA-N 1 0 350.438 2.334 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595344914 673228572 /nfs/dbraw/zinc/22/85/72/673228572.db2.gz KYPBMTLOVODRFF-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815330 673327262 /nfs/dbraw/zinc/32/72/62/673327262.db2.gz OEQSZMKDAHVZMU-GOEBONIOSA-N 1 0 350.415 2.368 20 5 FEBDRO NS(=O)(=O)c1ccc(NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000596153122 673363615 /nfs/dbraw/zinc/36/36/15/673363615.db2.gz GQSLENHDOAMLQQ-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000596290384 673374780 /nfs/dbraw/zinc/37/47/80/673374780.db2.gz YHKQAGFQSVCJOO-HNNXBMFYSA-N 1 0 350.419 2.099 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000732624616 673375636 /nfs/dbraw/zinc/37/56/36/673375636.db2.gz SGXPVNPBUMNMKI-UHFFFAOYSA-N 1 0 352.460 2.334 20 5 FEBDRO Cc1cc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596819526 673416770 /nfs/dbraw/zinc/41/67/70/673416770.db2.gz ASRPWLMOYXNIBQ-AWEZNQCLSA-N 1 0 351.451 2.297 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[C@H](C)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000596872759 673421346 /nfs/dbraw/zinc/42/13/46/673421346.db2.gz ZPIKIKCRVBVQFF-JTQLQIEISA-N 1 0 352.391 2.152 20 5 FEBDRO Nc1c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597104602 673448752 /nfs/dbraw/zinc/44/87/52/673448752.db2.gz RYRYIWYRZQXDCF-LLVKDONJSA-N 1 0 351.794 2.308 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693057 673499758 /nfs/dbraw/zinc/49/97/58/673499758.db2.gz ADLSFRBSWQXUGP-HZPDHXFCSA-N 1 0 365.455 2.009 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000597700944 673500545 /nfs/dbraw/zinc/50/05/45/673500545.db2.gz PGVNNJDAYWFMJQ-GXTWGEPZSA-N 1 0 367.471 2.388 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCOCC3)C2)c1 ZINC000597710634 673501472 /nfs/dbraw/zinc/50/14/72/673501472.db2.gz XCMYCAXRHSIDGV-ZDUSSCGKSA-N 1 0 365.455 2.254 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000541647494 673554529 /nfs/dbraw/zinc/55/45/29/673554529.db2.gz RSOGLPYGSSAAOK-STQMWFEESA-N 1 0 351.403 2.337 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598670580 673596715 /nfs/dbraw/zinc/59/67/15/673596715.db2.gz VEPCTLNFHAYORO-BDJLRTHQSA-N 1 0 353.806 2.357 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543838862 673673641 /nfs/dbraw/zinc/67/36/41/673673641.db2.gz HGKQHBXVTASGLM-HNNXBMFYSA-N 1 0 351.403 2.073 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000599464988 673678982 /nfs/dbraw/zinc/67/89/82/673678982.db2.gz ZNUKZHNYNSLFAK-QGZVFWFLSA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000544122462 673692465 /nfs/dbraw/zinc/69/24/65/673692465.db2.gz XEYKINPTMMUPKO-KRWDZBQOSA-N 1 0 364.423 2.082 20 5 FEBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572779 673718545 /nfs/dbraw/zinc/71/85/45/673718545.db2.gz OJUGYTQXVQJGGL-CJNGLKHVSA-N 1 0 356.444 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000544659437 673724094 /nfs/dbraw/zinc/72/40/94/673724094.db2.gz QOQJNXAAOZITGO-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO CC(C)(C)[C@H](CCO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000544897568 673739371 /nfs/dbraw/zinc/73/93/71/673739371.db2.gz NESWADPSYCPUNW-HNNXBMFYSA-N 1 0 351.403 2.280 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000600757844 673796897 /nfs/dbraw/zinc/79/68/97/673796897.db2.gz TYXUBQPFBUZRQN-HOCLYGCPSA-N 1 0 350.806 2.473 20 5 FEBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601335252 673844146 /nfs/dbraw/zinc/84/41/46/673844146.db2.gz SBDCKVZRFFMGCK-XHDPSFHLSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601342212 673845121 /nfs/dbraw/zinc/84/51/21/673845121.db2.gz TZVCOVACEKRASQ-OCCSQVGLSA-N 1 0 371.434 2.195 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601356443 673847314 /nfs/dbraw/zinc/84/73/14/673847314.db2.gz QMIOXXXLXNCXPW-UXIGCNINSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1ccc([C@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000601364007 673848872 /nfs/dbraw/zinc/84/88/72/673848872.db2.gz CSODDDOFDRVPQL-AWEZNQCLSA-N 1 0 355.460 2.370 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601404248 673856653 /nfs/dbraw/zinc/85/66/53/673856653.db2.gz VCOVQFLHDZILCV-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(n3cncc3C)CC2)c([N+](=O)[O-])s1 ZINC000601413965 673858202 /nfs/dbraw/zinc/85/82/02/673858202.db2.gz MLRKWFWUDSOEGD-UHFFFAOYSA-N 1 0 370.456 2.495 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601414851 673858430 /nfs/dbraw/zinc/85/84/30/673858430.db2.gz KNYZQRQPCKLHSF-CMPLNLGQSA-N 1 0 359.473 2.212 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000601414946 673858536 /nfs/dbraw/zinc/85/85/36/673858536.db2.gz MYZPPOOTJLYHII-FUNVUKJBSA-N 1 0 371.434 2.288 20 5 FEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000601555603 673880820 /nfs/dbraw/zinc/88/08/20/673880820.db2.gz YWBSWZLLUIXFIT-CYBMUJFWSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000602484444 673906668 /nfs/dbraw/zinc/90/66/68/673906668.db2.gz LRMXFDTXYUHUPG-CQSZACIVSA-N 1 0 356.220 2.477 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000602487882 673906934 /nfs/dbraw/zinc/90/69/34/673906934.db2.gz OOZTWXLBHIFJDW-AOOOYVTPSA-N 1 0 354.204 2.324 20 5 FEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602531694 673907257 /nfs/dbraw/zinc/90/72/57/673907257.db2.gz XBJOXVIJALPMJW-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547806 673907963 /nfs/dbraw/zinc/90/79/63/673907963.db2.gz PGPJRRPXWHBCCQ-SECBINFHSA-N 1 0 364.265 2.229 20 5 FEBDRO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566298922 675202177 /nfs/dbraw/zinc/20/21/77/675202177.db2.gz KDGVSPXGKIBPIB-UHFFFAOYSA-N 1 0 364.199 2.213 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818522491 675222762 /nfs/dbraw/zinc/22/27/62/675222762.db2.gz XPFNCZWVZBEXSG-YPMHNXCESA-N 1 0 350.375 2.367 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCSC(F)(F)F)cc1 ZINC000818962741 675246888 /nfs/dbraw/zinc/24/68/88/675246888.db2.gz XKANGVZURKEMAH-UHFFFAOYSA-N 1 0 358.363 2.211 20 5 FEBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850650 675247701 /nfs/dbraw/zinc/24/77/01/675247701.db2.gz MNWNWQUTYKKQSV-BZUAXINKSA-N 1 0 351.447 2.045 20 5 FEBDRO Cc1noc(C)c1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819143709 675264279 /nfs/dbraw/zinc/26/42/79/675264279.db2.gz KUPYTMRFRFWBRP-UHFFFAOYSA-N 1 0 367.427 2.196 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000567774607 675321265 /nfs/dbraw/zinc/32/12/65/675321265.db2.gz OKZRRIFCYPVROZ-UHFFFAOYSA-N 1 0 355.460 2.264 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCC[N@H+]1CCCO ZINC000820990308 675405165 /nfs/dbraw/zinc/40/51/65/675405165.db2.gz NLRSJRAGOQKGPS-ZDUSSCGKSA-N 1 0 369.849 2.144 20 5 FEBDRO CCN1CCc2nc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000823996367 675578912 /nfs/dbraw/zinc/57/89/12/675578912.db2.gz AWHXDQQQLMGWAD-AWEZNQCLSA-N 1 0 362.411 2.101 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000825915231 675674005 /nfs/dbraw/zinc/67/40/05/675674005.db2.gz MWCUWVFWHCGDCQ-NSHDSACASA-N 1 0 368.821 2.230 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])cc1OC(F)F)CCO2 ZINC000826767922 675704570 /nfs/dbraw/zinc/70/45/70/675704570.db2.gz WKHDMYGSJQCZKH-UHFFFAOYSA-N 1 0 357.357 2.497 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000826943249 675717093 /nfs/dbraw/zinc/71/70/93/675717093.db2.gz WHIKWACKBRMQFH-AWEZNQCLSA-N 1 0 365.213 2.159 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000603640504 675800461 /nfs/dbraw/zinc/80/04/61/675800461.db2.gz QQSXLMUWOIFNNX-QWHCGFSZSA-N 1 0 355.460 2.444 20 5 FEBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000604105382 675803541 /nfs/dbraw/zinc/80/35/41/675803541.db2.gz PORDOUSSOZLJMZ-CYBMUJFWSA-N 1 0 350.419 2.277 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000619487134 676380273 /nfs/dbraw/zinc/38/02/73/676380273.db2.gz DRZOKYPUWQYDNI-CYBMUJFWSA-N 1 0 371.459 2.098 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619486216 676380347 /nfs/dbraw/zinc/38/03/47/676380347.db2.gz ZJAQNNQNPCQSQZ-QWHCGFSZSA-N 1 0 371.459 2.097 20 5 FEBDRO CC[C@@H]([NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842005271 680921327 /nfs/dbraw/zinc/92/13/27/680921327.db2.gz JIVJRWGORTVMOD-SECBINFHSA-N 1 0 371.235 2.162 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839547504 680760720 /nfs/dbraw/zinc/76/07/20/680760720.db2.gz JFWKOBCVDGVFKH-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000748857274 680001051 /nfs/dbraw/zinc/00/10/51/680001051.db2.gz JCIUYSKEWGELBQ-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000831605856 680010169 /nfs/dbraw/zinc/01/01/69/680010169.db2.gz FSSZBPMBXRGWQA-QMMMGPOBSA-N 1 0 370.258 2.378 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000749661662 680065030 /nfs/dbraw/zinc/06/50/30/680065030.db2.gz GWKSOCFTNSBSJH-CPUCHLNUSA-N 1 0 351.447 2.106 20 5 FEBDRO CC(C)CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001020140439 680101167 /nfs/dbraw/zinc/10/11/67/680101167.db2.gz HOCZYEPQCVZJLV-QHSBEEBCSA-N 1 0 366.487 2.134 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832755942 680172977 /nfs/dbraw/zinc/17/29/77/680172977.db2.gz GZKLODSATJRULJ-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752109245 680224282 /nfs/dbraw/zinc/22/42/82/680224282.db2.gz ZDOCWZYGZSEWMZ-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754987651 680392401 /nfs/dbraw/zinc/39/24/01/680392401.db2.gz LUUAHYWVEIQTLD-SECBINFHSA-N 1 0 372.194 2.463 20 5 FEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000912347076 685357035 /nfs/dbraw/zinc/35/70/35/685357035.db2.gz LGMNEQXLHHILBO-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186093 680564915 /nfs/dbraw/zinc/56/49/15/680564915.db2.gz NCQQYVOBJRKSGC-GFCCVEGCSA-N 1 0 350.375 2.366 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000767689798 680922273 /nfs/dbraw/zinc/92/22/73/680922273.db2.gz PDAIVSABAFMHGV-HZPDHXFCSA-N 1 0 364.471 2.259 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842482635 680949976 /nfs/dbraw/zinc/94/99/76/680949976.db2.gz UDBWYTSXWFDFID-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000842776940 680965845 /nfs/dbraw/zinc/96/58/45/680965845.db2.gz UBAFPOCPZNAAME-LLVKDONJSA-N 1 0 361.851 2.175 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CC3(CC([NH3+])C3)C2)cc1[N+](=O)[O-] ZINC000842797472 680967623 /nfs/dbraw/zinc/96/76/23/680967623.db2.gz LCEMQLVXUNQYNN-UHFFFAOYSA-N 1 0 359.835 2.105 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850644 680971340 /nfs/dbraw/zinc/97/13/40/680971340.db2.gz WIIIXDRPMZQYET-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000843065271 680985469 /nfs/dbraw/zinc/98/54/69/680985469.db2.gz KIVYTCAYCKWHBV-SUMWQHHRSA-N 1 0 366.801 2.311 20 5 FEBDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099168 680987518 /nfs/dbraw/zinc/98/75/18/680987518.db2.gz CJUTXSVDAJLWOV-SWLSCSKDSA-N 1 0 368.411 2.063 20 5 FEBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843102483 680987804 /nfs/dbraw/zinc/98/78/04/680987804.db2.gz XBWPTJWPFYRVHQ-IVMMDQJWSA-N 1 0 350.371 2.029 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2C(F)F)ccc1Br ZINC000843124466 680989031 /nfs/dbraw/zinc/98/90/31/680989031.db2.gz BNHMHGBGPJAEIC-NSHDSACASA-N 1 0 350.163 2.396 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000843368633 681000157 /nfs/dbraw/zinc/00/01/57/681000157.db2.gz PYBCLIKVIYWPRW-ZBEGNZNMSA-N 1 0 352.822 2.261 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770016891 681003077 /nfs/dbraw/zinc/00/30/77/681003077.db2.gz RHCVCKXGWVNVKM-LBPRGKRZSA-N 1 0 356.810 2.481 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCCc1ccsc1)CC2 ZINC001050516820 681049130 /nfs/dbraw/zinc/04/91/30/681049130.db2.gz KMFJTUAXUAWFDW-HZPDHXFCSA-N 1 0 363.483 2.270 20 5 FEBDRO CCO[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000844905770 681092703 /nfs/dbraw/zinc/09/27/03/681092703.db2.gz NQRTVUZWOCGXFA-QMTHXVAHSA-N 1 0 358.236 2.153 20 5 FEBDRO C[C@@H]1[C@H](COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000845818819 681154717 /nfs/dbraw/zinc/15/47/17/681154717.db2.gz IMMBKNXGXRRPTK-YPMHNXCESA-N 1 0 351.359 2.319 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])c1F ZINC000846230986 681205578 /nfs/dbraw/zinc/20/55/78/681205578.db2.gz JFFDWWNPAIUWMX-GXFFZTMASA-N 1 0 359.423 2.180 20 5 FEBDRO CCOCC[NH+]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774625080 681211934 /nfs/dbraw/zinc/21/19/34/681211934.db2.gz ASQVCKOZHATJOA-UHFFFAOYSA-N 1 0 367.837 2.210 20 5 FEBDRO CSCC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932586828 681268648 /nfs/dbraw/zinc/26/86/48/681268648.db2.gz BFRBTIHFYWWSAP-UHFFFAOYSA-N 1 0 358.485 2.444 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000847004109 681319236 /nfs/dbraw/zinc/31/92/36/681319236.db2.gz XKLGSOPRJJNRIB-NSHDSACASA-N 1 0 359.373 2.004 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000932907409 681325944 /nfs/dbraw/zinc/32/59/44/681325944.db2.gz DJRZFZYFGBFRKV-SECBINFHSA-N 1 0 358.801 2.383 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433186 681410962 /nfs/dbraw/zinc/41/09/62/681410962.db2.gz CHBPMYMSGBWAMX-KCJUWKMLSA-N 1 0 358.801 2.382 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000934077433 681505832 /nfs/dbraw/zinc/50/58/32/681505832.db2.gz DMFRFTVMMDRITH-HNNXBMFYSA-N 1 0 355.485 2.484 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848591382 681585605 /nfs/dbraw/zinc/58/56/05/681585605.db2.gz LUCOSAYFUNCRRM-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000934761472 681626058 /nfs/dbraw/zinc/62/60/58/681626058.db2.gz YEDRFRVYURUDQE-XMMPIXPASA-N 1 0 354.476 2.381 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915188 685466637 /nfs/dbraw/zinc/46/66/37/685466637.db2.gz DBIZPQPHXBJYHH-LLVKDONJSA-N 1 0 354.204 2.278 20 5 FEBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[NH2+]1 ZINC000851895566 682180788 /nfs/dbraw/zinc/18/07/88/682180788.db2.gz CTMLJDPIQRWKIR-LLVKDONJSA-N 1 0 365.814 2.006 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917829217 685534854 /nfs/dbraw/zinc/53/48/54/685534854.db2.gz OZCIBMTWPBMYLK-CZUORRHYSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC(=O)OC(C)(C)C ZINC000785863236 682332414 /nfs/dbraw/zinc/33/24/14/682332414.db2.gz TXQAUARUYFEHHA-LBPRGKRZSA-N 1 0 353.423 2.341 20 5 FEBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCC1 ZINC000852906459 682355980 /nfs/dbraw/zinc/35/59/80/682355980.db2.gz ZYGDLGMMBIUJSD-UHFFFAOYSA-N 1 0 360.183 2.498 20 5 FEBDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563061 682539294 /nfs/dbraw/zinc/53/92/94/682539294.db2.gz JZULKGPTJVHHLZ-DYVFJYSZSA-N 1 0 366.487 2.036 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791210652 682728734 /nfs/dbraw/zinc/72/87/34/682728734.db2.gz XPNABROGOOBFKF-LBPRGKRZSA-N 1 0 352.410 2.404 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCO1 ZINC000856428441 682780837 /nfs/dbraw/zinc/78/08/37/682780837.db2.gz AYNDWTRRMWTZHQ-NSHDSACASA-N 1 0 357.357 2.056 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000856728802 682799277 /nfs/dbraw/zinc/79/92/77/682799277.db2.gz IRNCTBZEASZWLV-TZMCWYRMSA-N 1 0 370.247 2.393 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000857008191 682843016 /nfs/dbraw/zinc/84/30/16/682843016.db2.gz DDGRYDPTGRVXCZ-RTHLEPHNSA-N 1 0 372.194 2.450 20 5 FEBDRO Cc1ccc(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000926794538 683171379 /nfs/dbraw/zinc/17/13/79/683171379.db2.gz BPLSOIORMCFKOT-ZDUSSCGKSA-N 1 0 355.460 2.053 20 5 FEBDRO C[C@H](C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096255 683201198 /nfs/dbraw/zinc/20/11/98/683201198.db2.gz VVADICQQQRBVAV-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1Cl ZINC000860253644 683223110 /nfs/dbraw/zinc/22/31/10/683223110.db2.gz FIUNHIMZNVTBLS-GFCCVEGCSA-N 1 0 355.822 2.215 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000920597782 683354358 /nfs/dbraw/zinc/35/43/58/683354358.db2.gz AMVDPTMFDAKZAM-HOCLYGCPSA-N 1 0 364.471 2.016 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798297838 683332833 /nfs/dbraw/zinc/33/28/33/683332833.db2.gz SZZJVDIUJCJAIR-UWVGGRQHSA-N 1 0 371.235 2.355 20 5 FEBDRO CCO[C@@H](CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000921334599 683428872 /nfs/dbraw/zinc/42/88/72/683428872.db2.gz OSAFFUCAWLREJV-JKSUJKDBSA-N 1 0 352.435 2.312 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000861833093 683482500 /nfs/dbraw/zinc/48/25/00/683482500.db2.gz QTRWPTAXMRCBEF-UONOGXRCSA-N 1 0 353.806 2.183 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929212166 683562715 /nfs/dbraw/zinc/56/27/15/683562715.db2.gz NWNONXWUBPYVDR-UONOGXRCSA-N 1 0 368.821 2.311 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929216387 683563991 /nfs/dbraw/zinc/56/39/91/683563991.db2.gz BYSAIJUGIGGIDC-CABCVRRESA-N 1 0 368.821 2.311 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000921992229 683633161 /nfs/dbraw/zinc/63/31/61/683633161.db2.gz ZUUOOFJILMCTBD-SOUVJXGZSA-N 1 0 368.455 2.163 20 5 FEBDRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929955940 683661002 /nfs/dbraw/zinc/66/10/02/683661002.db2.gz OZOJSIACFIGZMM-UHFFFAOYSA-N 1 0 356.220 2.376 20 5 FEBDRO COc1cc(CN(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000863652398 683757109 /nfs/dbraw/zinc/75/71/09/683757109.db2.gz SNSOKMXCDTUFIH-SECBINFHSA-N 1 0 351.325 2.324 20 5 FEBDRO C[N@@H+]1CCn2nc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2C1 ZINC000865844243 684035904 /nfs/dbraw/zinc/03/59/04/684035904.db2.gz GKFYJFXNAUCNPI-UHFFFAOYSA-N 1 0 353.329 2.450 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000866326868 684092370 /nfs/dbraw/zinc/09/23/70/684092370.db2.gz NMWWULSIEROXHE-SWLSCSKDSA-N 1 0 354.378 2.177 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000866356548 684094319 /nfs/dbraw/zinc/09/43/19/684094319.db2.gz DVVIKKAQFVVHRU-WFASDCNBSA-N 1 0 373.450 2.069 20 5 FEBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866715307 684138535 /nfs/dbraw/zinc/13/85/35/684138535.db2.gz AQZGWJXOEPMWFW-RISCZKNCSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866820847 684160882 /nfs/dbraw/zinc/16/08/82/684160882.db2.gz WVKVOJJWNCKPBJ-YPMHNXCESA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1F ZINC000866937963 684183662 /nfs/dbraw/zinc/18/36/62/684183662.db2.gz MANISAOSIXLMHR-UHFFFAOYSA-N 1 0 366.374 2.082 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000867192198 684223408 /nfs/dbraw/zinc/22/34/08/684223408.db2.gz WXZVJCMFVCZKQS-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923736021 684342616 /nfs/dbraw/zinc/34/26/16/684342616.db2.gz OIEAHOUAQGCBRK-OAHLLOKOSA-N 1 0 373.862 2.463 20 5 FEBDRO Cn1cc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000931850896 684356461 /nfs/dbraw/zinc/35/64/61/684356461.db2.gz LBFXDALNCDPTLK-UONOGXRCSA-N 1 0 350.419 2.128 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000869763636 684652774 /nfs/dbraw/zinc/65/27/74/684652774.db2.gz ZPEXUKKXRPUNJE-UHFFFAOYSA-N 1 0 353.394 2.164 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246172 684931466 /nfs/dbraw/zinc/93/14/66/684931466.db2.gz BHQGOSJALWJASW-IRXDYDNUSA-N 1 0 350.802 2.475 20 5 FEBDRO Cc1c(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873101870 685070910 /nfs/dbraw/zinc/07/09/10/685070910.db2.gz DBMIURMCJCFSEI-UHFFFAOYSA-N 1 0 369.487 2.443 20 5 FEBDRO CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)O2 ZINC000877142864 686332314 /nfs/dbraw/zinc/33/23/14/686332314.db2.gz YASDXCYJCZWFSM-QUZGTJOHSA-N 1 0 350.419 2.406 20 5 FEBDRO C[NH2+]C[C@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000883449297 687632880 /nfs/dbraw/zinc/63/28/80/687632880.db2.gz JVCIGGJJJAGNCY-CQSZACIVSA-N 1 0 350.419 2.006 20 5 FEBDRO CCC1([NH+]2CCC2)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000884474887 687877457 /nfs/dbraw/zinc/87/74/57/687877457.db2.gz PAQHYJXADYVNIK-UHFFFAOYSA-N 1 0 372.267 2.462 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000884954482 687973148 /nfs/dbraw/zinc/97/31/48/687973148.db2.gz FNOZMBXJRDXROK-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000885455164 688076913 /nfs/dbraw/zinc/07/69/13/688076913.db2.gz GYBVLFLQVDSPGO-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000885459572 688078462 /nfs/dbraw/zinc/07/84/62/688078462.db2.gz KKUQIPAJJDYNJC-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO CSc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885879068 688176423 /nfs/dbraw/zinc/17/64/23/688176423.db2.gz CPYMNZJLQVWSGR-ZDUSSCGKSA-N 1 0 365.455 2.300 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1cc([N+](=O)[O-])ccc1F ZINC000886631824 688284962 /nfs/dbraw/zinc/28/49/62/688284962.db2.gz XJRGJYOGSMKMRM-NVXWUHKLSA-N 1 0 351.378 2.299 20 5 FEBDRO Cc1csc(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000886691611 688289874 /nfs/dbraw/zinc/28/98/74/688289874.db2.gz IOTPOAXJWYAWMT-AWEZNQCLSA-N 1 0 362.455 2.476 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CC[NH+](CCCO)CC1 ZINC000892165305 689159902 /nfs/dbraw/zinc/15/99/02/689159902.db2.gz STDLMWPRSKTULY-UHFFFAOYSA-N 1 0 350.806 2.301 20 5 FEBDRO C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000893412589 689344055 /nfs/dbraw/zinc/34/40/55/689344055.db2.gz NPOZINGEOBSVIC-SUMWQHHRSA-N 1 0 366.487 2.435 20 5 FEBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(F)F ZINC000894785847 689595916 /nfs/dbraw/zinc/59/59/16/689595916.db2.gz CJHQMIZGQZHONU-JSGCOSHPSA-N 1 0 353.325 2.263 20 5 FEBDRO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895248741 689683833 /nfs/dbraw/zinc/68/38/33/689683833.db2.gz MYPVXAYVPOJWBY-ABAIWWIYSA-N 1 0 363.849 2.265 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557899 689894074 /nfs/dbraw/zinc/89/40/74/689894074.db2.gz LQNQNNBRYAFYGF-CMPLNLGQSA-N 1 0 359.373 2.430 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219620 689989686 /nfs/dbraw/zinc/98/96/86/689989686.db2.gz MBASHQUWWORNJT-QWHCGFSZSA-N 1 0 370.247 2.393 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121943 690131211 /nfs/dbraw/zinc/13/12/11/690131211.db2.gz ATLMCHOWYMRAEF-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000898609869 690217882 /nfs/dbraw/zinc/21/78/82/690217882.db2.gz QURWCUUGHKIZOQ-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccnn1CC[NH+](C)C ZINC000900048624 690466961 /nfs/dbraw/zinc/46/69/61/690466961.db2.gz HHEACRBBOPLNOI-UHFFFAOYSA-N 1 0 365.821 2.279 20 5 FEBDRO COc1cc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc([N+](=O)[O-])c1 ZINC000903125665 690848670 /nfs/dbraw/zinc/84/86/70/690848670.db2.gz NFLLXQPIGXRMKO-ABAIWWIYSA-N 1 0 371.459 2.396 20 5 FEBDRO COc1cc([C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000903172378 690860485 /nfs/dbraw/zinc/86/04/85/690860485.db2.gz PIQZTJWRHBPJHH-ABAIWWIYSA-N 1 0 355.460 2.464 20 5 FEBDRO CO[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000903311441 690881247 /nfs/dbraw/zinc/88/12/47/690881247.db2.gz UDXXGTQDCFELCQ-LRDDRELGSA-N 1 0 353.444 2.424 20 5 FEBDRO CC(C)O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000903358001 690884888 /nfs/dbraw/zinc/88/48/88/690884888.db2.gz QYNXEFRISQVZSL-VYDXJSESSA-N 1 0 352.435 2.449 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000905633534 691154529 /nfs/dbraw/zinc/15/45/29/691154529.db2.gz LJMIFYPCGKDAFK-KGLIPLIRSA-N 1 0 352.485 2.461 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063917 691384930 /nfs/dbraw/zinc/38/49/30/691384930.db2.gz DRHBWOYJGXTVNI-ZWNOBZJWSA-N 1 0 352.822 2.387 20 5 FEBDRO O=C(Cc1cnc[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000908072849 691609880 /nfs/dbraw/zinc/60/98/80/691609880.db2.gz SQBAGJGVMYSZAJ-UHFFFAOYSA-N 1 0 365.187 2.208 20 5 FEBDRO CCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301623796 719459398 /nfs/dbraw/zinc/45/93/98/719459398.db2.gz ABBMJOZICIDHHA-SJORKVTESA-N 1 0 369.425 2.133 20 5 FEBDRO CC(C)N(C)Cc1nn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2c1CC[NH2+]C2 ZINC001164681228 719627523 /nfs/dbraw/zinc/62/75/23/719627523.db2.gz DPIFIZGCNONCOU-UHFFFAOYSA-N 1 0 369.429 2.143 20 5 FEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867769 721062050 /nfs/dbraw/zinc/06/20/50/721062050.db2.gz KHFBZZKQKBWFRB-JKSUJKDBSA-N 1 0 373.388 2.004 20 5 FEBDRO Nc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164909330 721541546 /nfs/dbraw/zinc/54/15/46/721541546.db2.gz RMJSKYNZDCGVNW-HIFRSBDPSA-N 1 0 373.388 2.053 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn2)cc1 ZINC001165038722 721917171 /nfs/dbraw/zinc/91/71/71/721917171.db2.gz PHNJEFYNDVVFDY-QGZVFWFLSA-N 1 0 369.425 2.353 20 5 FEBDRO C[NH+](C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)cc1 ZINC000549615264 674054039 /nfs/dbraw/zinc/05/40/39/674054039.db2.gz ALZRLFAOVPJFJY-AWEZNQCLSA-N 1 0 363.805 2.258 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000015624509 539620976 /nfs/dbraw/zinc/62/09/76/539620976.db2.gz CNURZGOUHYQRDU-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC000023380609 539713335 /nfs/dbraw/zinc/71/33/35/539713335.db2.gz FIAJCUWEIZWXRJ-UHFFFAOYSA-N 1 0 372.491 2.379 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026852956 539794783 /nfs/dbraw/zinc/79/47/83/539794783.db2.gz KJTJFZIESNKDDU-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO CCOc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000029092932 539843089 /nfs/dbraw/zinc/84/30/89/539843089.db2.gz PVSQQOOWUIDYFC-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCCC[C@H]1C ZINC000032732899 539949753 /nfs/dbraw/zinc/94/97/53/539949753.db2.gz GWLQCMAXZSSDMS-OLZOCXBDSA-N 1 0 363.414 2.359 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000033089352 539967328 /nfs/dbraw/zinc/96/73/28/539967328.db2.gz XAOAWIFGSBMOPD-UHFFFAOYSA-N 1 0 357.366 2.315 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000041644056 540028736 /nfs/dbraw/zinc/02/87/36/540028736.db2.gz YWKRYRKUADGDIC-UONOGXRCSA-N 1 0 362.430 2.221 20 5 FEBDRO CC(C)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000046813891 540271906 /nfs/dbraw/zinc/27/19/06/540271906.db2.gz YTRMDTORKQXEDM-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047460167 540312816 /nfs/dbraw/zinc/31/28/16/540312816.db2.gz FJXHUEBUMCCCCM-CYBMUJFWSA-N 1 0 370.409 2.413 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000049131701 540381810 /nfs/dbraw/zinc/38/18/10/540381810.db2.gz WSXVJMXPNLYNLT-ZDUSSCGKSA-N 1 0 362.430 2.222 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000050797345 540414389 /nfs/dbraw/zinc/41/43/89/540414389.db2.gz OGYWHZLPGIJYJZ-UHFFFAOYSA-N 1 0 364.421 2.022 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160023 540456298 /nfs/dbraw/zinc/45/62/98/540456298.db2.gz PXFKIQSLKQFPFR-OLZOCXBDSA-N 1 0 370.475 2.035 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052428332 540465555 /nfs/dbraw/zinc/46/55/55/540465555.db2.gz HBDNLMWDJLULDF-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000052931273 540500397 /nfs/dbraw/zinc/50/03/97/540500397.db2.gz IDQMOFHFADZRRC-OAHLLOKOSA-N 1 0 374.441 2.162 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CC)cc1OC ZINC000053274928 540523147 /nfs/dbraw/zinc/52/31/47/540523147.db2.gz DXULEIPPFARLKZ-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000053992245 540562957 /nfs/dbraw/zinc/56/29/57/540562957.db2.gz GGTHOYFJQIPUSS-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000055400802 540650682 /nfs/dbraw/zinc/65/06/82/540650682.db2.gz RHHLESJHIAMAIY-CHWSQXEVSA-N 1 0 363.414 2.232 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055538181 540657343 /nfs/dbraw/zinc/65/73/43/540657343.db2.gz GKYKOIVJKUYDGT-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000058273915 540837319 /nfs/dbraw/zinc/83/73/19/540837319.db2.gz LEVQXUYVUOOIPC-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000060950622 541123770 /nfs/dbraw/zinc/12/37/70/541123770.db2.gz LRXPQIBVXBGIEI-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000063282490 541162868 /nfs/dbraw/zinc/16/28/68/541162868.db2.gz VGSUTEIYFJDSAI-UHFFFAOYSA-N 1 0 372.429 2.300 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000065791850 541262228 /nfs/dbraw/zinc/26/22/28/541262228.db2.gz IPNGJDITFOMIHQ-ZDUSSCGKSA-N 1 0 355.460 2.310 20 5 FEBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066535700 541333235 /nfs/dbraw/zinc/33/32/35/541333235.db2.gz YGOMAYCRFXENGD-KRWDZBQOSA-N 1 0 358.442 2.044 20 5 FEBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)C ZINC000066602329 541344388 /nfs/dbraw/zinc/34/43/88/541344388.db2.gz WTBWCSQKEPHTIY-UHFFFAOYSA-N 1 0 351.403 2.215 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000067269320 541438381 /nfs/dbraw/zinc/43/83/81/541438381.db2.gz WHKZPYKPDUMAMP-CQSZACIVSA-N 1 0 365.430 2.219 20 5 FEBDRO C[C@@H]1CCC[C@](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000068110643 541550999 /nfs/dbraw/zinc/55/09/99/541550999.db2.gz CINIBZYDJPKWMM-DYVFJYSZSA-N 1 0 351.451 2.153 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000068346326 541579774 /nfs/dbraw/zinc/57/97/74/541579774.db2.gz GOXDKFKYQDZORT-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000069044354 541652463 /nfs/dbraw/zinc/65/24/63/541652463.db2.gz MVEZJQIPRFARAE-CYBMUJFWSA-N 1 0 363.414 2.216 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000069989517 541730116 /nfs/dbraw/zinc/73/01/16/541730116.db2.gz CAIBAULLMPFRPS-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410586 541765571 /nfs/dbraw/zinc/76/55/71/541765571.db2.gz SVZUGJYZAPSBKU-AWEZNQCLSA-N 1 0 358.446 2.224 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000071826309 541773439 /nfs/dbraw/zinc/77/34/39/541773439.db2.gz DFSIUADVKBPLHD-UHFFFAOYSA-N 1 0 359.448 2.001 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000072717393 541857180 /nfs/dbraw/zinc/85/71/80/541857180.db2.gz RAINKSKHCKONMG-UHFFFAOYSA-N 1 0 373.475 2.391 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072835447 541876850 /nfs/dbraw/zinc/87/68/50/541876850.db2.gz JXRBYNHLOQUTBJ-OAHLLOKOSA-N 1 0 364.446 2.348 20 5 FEBDRO CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000073394366 541949478 /nfs/dbraw/zinc/94/94/78/541949478.db2.gz UMSJYUOCOQQKKA-GFCCVEGCSA-N 1 0 358.464 2.035 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000073869229 542009248 /nfs/dbraw/zinc/00/92/48/542009248.db2.gz QADCURXXDYSJEL-UHFFFAOYSA-N 1 0 367.409 2.209 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000074136927 542042418 /nfs/dbraw/zinc/04/24/18/542042418.db2.gz RNSSZOZZJBNWIP-INIZCTEOSA-N 1 0 359.430 2.487 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000074320875 542069631 /nfs/dbraw/zinc/06/96/31/542069631.db2.gz VAIMAFWOKGGRHA-GFCCVEGCSA-N 1 0 350.394 2.120 20 5 FEBDRO C[N@H+](CCc1cccc2ccccc21)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075679985 542197938 /nfs/dbraw/zinc/19/79/38/542197938.db2.gz JVOBSXRUVSPBNQ-GOSISDBHSA-N 1 0 354.410 2.480 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000075768077 542203143 /nfs/dbraw/zinc/20/31/43/542203143.db2.gz NAOCYMSDVUHLMT-YESZJQIVSA-N 1 0 366.462 2.212 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000075922784 542215438 /nfs/dbraw/zinc/21/54/38/542215438.db2.gz KIMAMSYLHJRAHM-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555177 674134973 /nfs/dbraw/zinc/13/49/73/674134973.db2.gz GEQANYOWUPLBDC-GXFFZTMASA-N 1 0 359.220 2.329 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479310 542283214 /nfs/dbraw/zinc/28/32/14/542283214.db2.gz BMVSWHCTVYKWQN-OCCSQVGLSA-N 1 0 365.430 2.414 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000076505662 542286801 /nfs/dbraw/zinc/28/68/01/542286801.db2.gz WDNRBSVOASFJSZ-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CCN1CCC([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000077249594 542359884 /nfs/dbraw/zinc/35/98/84/542359884.db2.gz LMSJNANYACCZDS-UHFFFAOYSA-N 1 0 362.430 2.309 20 5 FEBDRO C[NH+](C)CC1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000077992363 542436728 /nfs/dbraw/zinc/43/67/28/542436728.db2.gz DQNHJUQJZHASLF-UHFFFAOYSA-N 1 0 371.445 2.489 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000078737107 542478294 /nfs/dbraw/zinc/47/82/94/542478294.db2.gz WOBQPBGOVRZSTL-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000079945561 542552045 /nfs/dbraw/zinc/55/20/45/542552045.db2.gz RMWMYZUPILEEHP-DOMZBBRYSA-N 1 0 357.414 2.409 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000080543907 542594297 /nfs/dbraw/zinc/59/42/97/542594297.db2.gz QCVWQNJLUAIDNE-MRXNPFEDSA-N 1 0 354.426 2.426 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000080543914 542594612 /nfs/dbraw/zinc/59/46/12/542594612.db2.gz HTFCKTLIGDQDEQ-GOSISDBHSA-N 1 0 350.463 2.425 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000080611648 542597140 /nfs/dbraw/zinc/59/71/40/542597140.db2.gz NULAFQUSAHJXIU-INIZCTEOSA-N 1 0 362.474 2.205 20 5 FEBDRO C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000085361061 542725207 /nfs/dbraw/zinc/72/52/07/542725207.db2.gz OQTOKIWHKHTRTP-ZDUSSCGKSA-N 1 0 352.435 2.249 20 5 FEBDRO C[NH+]1CCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)nc2)CC1 ZINC000087130616 542742500 /nfs/dbraw/zinc/74/25/00/542742500.db2.gz YKPAAYMIIMQSRM-UHFFFAOYSA-N 1 0 369.425 2.313 20 5 FEBDRO CCOc1cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000092622401 542875585 /nfs/dbraw/zinc/87/55/85/542875585.db2.gz SMWZUIIDKLIFJX-UHFFFAOYSA-N 1 0 362.474 2.457 20 5 FEBDRO CNC(=O)c1ccc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000057141418 136128238 /nfs/dbraw/zinc/12/82/38/136128238.db2.gz GEBFGWWBYKCDGJ-UHFFFAOYSA-N 1 0 374.466 2.381 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000098097786 543020499 /nfs/dbraw/zinc/02/04/99/543020499.db2.gz JBFVECZCQLXCSF-OAHLLOKOSA-N 1 0 357.414 2.204 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CC[NH+](C)CC1 ZINC000101522436 543028195 /nfs/dbraw/zinc/02/81/95/543028195.db2.gz GLEDMLRURJMEIC-NSHDSACASA-N 1 0 355.822 2.474 20 5 FEBDRO Cc1c(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000104092301 543123149 /nfs/dbraw/zinc/12/31/49/543123149.db2.gz DBJVPRMEGSENGE-UHFFFAOYSA-N 1 0 371.441 2.279 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000111273395 543391313 /nfs/dbraw/zinc/39/13/13/543391313.db2.gz ITQQMGXPWHERPN-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111541324 543405836 /nfs/dbraw/zinc/40/58/36/543405836.db2.gz XQSPCPXQPQCHRF-ZDUSSCGKSA-N 1 0 372.425 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000112583827 543453250 /nfs/dbraw/zinc/45/32/50/543453250.db2.gz VRJCGWUQSGMKCK-CYBMUJFWSA-N 1 0 351.403 2.169 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113231115 543478376 /nfs/dbraw/zinc/47/83/76/543478376.db2.gz PTJYGPFEXBXXML-XJKSGUPXSA-N 1 0 369.425 2.304 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073064 543503714 /nfs/dbraw/zinc/50/37/14/543503714.db2.gz JYYGPIOYSZWQJD-GOEBONIOSA-N 1 0 363.414 2.188 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000120303102 543678268 /nfs/dbraw/zinc/67/82/68/543678268.db2.gz UPCLJWAGKDYYPJ-OAHLLOKOSA-N 1 0 363.462 2.346 20 5 FEBDRO Cn1ccnc1CC1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000124326678 543814416 /nfs/dbraw/zinc/81/44/16/543814416.db2.gz HDWVHJUNSKFQHQ-UHFFFAOYSA-N 1 0 357.414 2.493 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000124110309 543801135 /nfs/dbraw/zinc/80/11/35/543801135.db2.gz ADICEIOQUSVTEO-NSHDSACASA-N 1 0 361.851 2.129 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000126058219 543915869 /nfs/dbraw/zinc/91/58/69/543915869.db2.gz FUGMMLWXOVJBHG-OCCSQVGLSA-N 1 0 355.398 2.255 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000126459018 543937069 /nfs/dbraw/zinc/93/70/69/543937069.db2.gz VLKKORCRJVLLSD-OAHLLOKOSA-N 1 0 363.393 2.048 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000127554851 544000270 /nfs/dbraw/zinc/00/02/70/544000270.db2.gz SYIJHCWQKKUYGT-HNNXBMFYSA-N 1 0 364.446 2.426 20 5 FEBDRO C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830350 544075576 /nfs/dbraw/zinc/07/55/76/544075576.db2.gz MIZILFIHSUADMV-QWHCGFSZSA-N 1 0 352.410 2.477 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000128553347 544059202 /nfs/dbraw/zinc/05/92/02/544059202.db2.gz UKIXOOXWDATOOZ-CJNGLKHVSA-N 1 0 364.446 2.475 20 5 FEBDRO CC1CC[NH+](C2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000129014303 544085986 /nfs/dbraw/zinc/08/59/86/544085986.db2.gz VVBFTYKBNNXASN-UHFFFAOYSA-N 1 0 363.462 2.341 20 5 FEBDRO C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000129424781 544111428 /nfs/dbraw/zinc/11/14/28/544111428.db2.gz PTDMCJOSZCHPPT-KSSFIOAISA-N 1 0 369.425 2.264 20 5 FEBDRO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000130586456 544156997 /nfs/dbraw/zinc/15/69/97/544156997.db2.gz FKKBPFUVNQELMC-PWSUYJOCSA-N 1 0 373.251 2.034 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130976674 544172822 /nfs/dbraw/zinc/17/28/22/544172822.db2.gz TWVDAJPHPZWXTL-LSDHHAIUSA-N 1 0 358.398 2.426 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131172130 544179281 /nfs/dbraw/zinc/17/92/81/544179281.db2.gz GJAHJENPCDOXCD-MRXNPFEDSA-N 1 0 369.487 2.477 20 5 FEBDRO CCC[C@H]1CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131688238 544201827 /nfs/dbraw/zinc/20/18/27/544201827.db2.gz VBQVNOGQKGTMNQ-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H]1C[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000131960598 544213519 /nfs/dbraw/zinc/21/35/19/544213519.db2.gz OMLBRBLDAXLLEB-NVXWUHKLSA-N 1 0 371.441 2.208 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000132524716 544234266 /nfs/dbraw/zinc/23/42/66/544234266.db2.gz XXVSXGLRUHWNEE-CQSZACIVSA-N 1 0 351.403 2.478 20 5 FEBDRO O=C(CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134872214 544324348 /nfs/dbraw/zinc/32/43/48/544324348.db2.gz WBLLTRQOKAHFFW-RHSMWYFYSA-N 1 0 358.442 2.482 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000138556221 544396932 /nfs/dbraw/zinc/39/69/32/544396932.db2.gz NIJOGBLMEGKCLA-ZDUSSCGKSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000146231263 544438491 /nfs/dbraw/zinc/43/84/91/544438491.db2.gz LTYCYQUVOPFTOJ-LBPRGKRZSA-N 1 0 373.862 2.497 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000150779568 544470765 /nfs/dbraw/zinc/47/07/65/544470765.db2.gz IFABXNWZYHFFMI-HIFRSBDPSA-N 1 0 363.414 2.236 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151629368 544564683 /nfs/dbraw/zinc/56/46/83/544564683.db2.gz YRDXLTKYSLYXRG-LBPRGKRZSA-N 1 0 373.862 2.355 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152297853 544635252 /nfs/dbraw/zinc/63/52/52/544635252.db2.gz SEMBTHSSKKTHNG-GFCCVEGCSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000152178620 544622012 /nfs/dbraw/zinc/62/20/12/544622012.db2.gz HTSLSVYFYHOBTA-GFCCVEGCSA-N 1 0 351.403 2.167 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@H+](C)C1 ZINC000153217233 544747620 /nfs/dbraw/zinc/74/76/20/544747620.db2.gz FHWASWPQFCGZBB-CYBMUJFWSA-N 1 0 370.247 2.452 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000153333990 544762420 /nfs/dbraw/zinc/76/24/20/544762420.db2.gz PXJYBHRAMGERPA-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000153590337 544795723 /nfs/dbraw/zinc/79/57/23/544795723.db2.gz ODRPUUDKFIYKPS-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153981192 544848891 /nfs/dbraw/zinc/84/88/91/544848891.db2.gz ZEKPSWUBNLHITJ-GDBMZVCRSA-N 1 0 359.426 2.449 20 5 FEBDRO CN(Cc1cn(C)nc1C(F)(F)F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000155184670 544999084 /nfs/dbraw/zinc/99/90/84/544999084.db2.gz ITVRORFXJZMQQY-UHFFFAOYSA-N 1 0 371.319 2.078 20 5 FEBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000154962250 544971259 /nfs/dbraw/zinc/97/12/59/544971259.db2.gz CXFANAKIZIYSFQ-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180398045 327684567 /nfs/dbraw/zinc/68/45/67/327684567.db2.gz CACMFQPTVFOPGI-CHWSQXEVSA-N 1 0 363.414 2.046 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180436943 327685884 /nfs/dbraw/zinc/68/58/84/327685884.db2.gz JZPPLKDASXPMMD-LLVKDONJSA-N 1 0 362.411 2.333 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000183662934 327829512 /nfs/dbraw/zinc/82/95/12/327829512.db2.gz GXHKEYCGQIYEAF-NSHDSACASA-N 1 0 361.851 2.129 20 5 FEBDRO COc1cccc(NCc2cccnc2N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000185253744 327908564 /nfs/dbraw/zinc/90/85/64/327908564.db2.gz IKAXTKWMQVBLQB-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO Cc1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000804447024 674287780 /nfs/dbraw/zinc/28/77/80/674287780.db2.gz VEUWIMBTJZLSIF-LLVKDONJSA-N 1 0 357.252 2.323 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188125154 328067926 /nfs/dbraw/zinc/06/79/26/328067926.db2.gz KRBDIRNZHQMUAL-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188189776 328072100 /nfs/dbraw/zinc/07/21/00/328072100.db2.gz PCQILSOLZHGIAI-LBPRGKRZSA-N 1 0 355.460 2.403 20 5 FEBDRO CSc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000188254827 328076061 /nfs/dbraw/zinc/07/60/61/328076061.db2.gz ZADDLNMXBMISJI-CYBMUJFWSA-N 1 0 367.471 2.283 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000188859334 328114681 /nfs/dbraw/zinc/11/46/81/328114681.db2.gz LVJNKTFPVWGNNA-UHFFFAOYSA-N 1 0 353.806 2.324 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189382562 328144456 /nfs/dbraw/zinc/14/44/56/328144456.db2.gz KXIWEMDNVLYJJL-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO CC(C)c1ccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189778096 328167335 /nfs/dbraw/zinc/16/73/35/328167335.db2.gz CVEVLTCZSDROCM-UHFFFAOYSA-N 1 0 362.474 2.428 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000189969690 328179439 /nfs/dbraw/zinc/17/94/39/328179439.db2.gz CMNOCDFFNSYAKA-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190042586 328184403 /nfs/dbraw/zinc/18/44/03/328184403.db2.gz FLIBQHIEGUXKAP-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000191498487 328268424 /nfs/dbraw/zinc/26/84/24/328268424.db2.gz KCMDIFIFAKGPRL-OAHLLOKOSA-N 1 0 357.414 2.378 20 5 FEBDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000191635748 328274842 /nfs/dbraw/zinc/27/48/42/328274842.db2.gz STOCESXCNPIKIU-OAHLLOKOSA-N 1 0 357.414 2.405 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191897227 328287515 /nfs/dbraw/zinc/28/75/15/328287515.db2.gz DZTPBVKBHYLNFW-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000192061983 328297647 /nfs/dbraw/zinc/29/76/47/328297647.db2.gz YYJUGOISSFARBA-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO COc1cccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000192507549 328322864 /nfs/dbraw/zinc/32/28/64/328322864.db2.gz DNJJKTDGYDKWFX-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000192549141 328325161 /nfs/dbraw/zinc/32/51/61/328325161.db2.gz UNSYLZLVHSXJLU-GJZGRUSLSA-N 1 0 364.494 2.114 20 5 FEBDRO COc1ccnc(NC2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000192868888 328344121 /nfs/dbraw/zinc/34/41/21/328344121.db2.gz RYEDTZFVUKXIFT-INIZCTEOSA-N 1 0 373.413 2.003 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1C ZINC000193434348 328375415 /nfs/dbraw/zinc/37/54/15/328375415.db2.gz ADEMIAHVRMLQML-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)N1 ZINC000193470924 328377185 /nfs/dbraw/zinc/37/71/85/328377185.db2.gz VRNNFZPUVNXBCP-SFHVURJKSA-N 1 0 370.365 2.029 20 5 FEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194417236 328423459 /nfs/dbraw/zinc/42/34/59/328423459.db2.gz JOAGIKNCAJWNFE-UHFFFAOYSA-N 1 0 369.425 2.454 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000045236362 324572502 /nfs/dbraw/zinc/57/25/02/324572502.db2.gz SHDQZVABCIDWOR-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237240144 328509497 /nfs/dbraw/zinc/50/94/97/328509497.db2.gz ZQCDNMPLZAKGIL-UWVGGRQHSA-N 1 0 373.356 2.404 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237239677 328509600 /nfs/dbraw/zinc/50/96/00/328509600.db2.gz ZQCDNMPLZAKGIL-ZJUUUORDSA-N 1 0 373.356 2.404 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096327 325159323 /nfs/dbraw/zinc/15/93/23/325159323.db2.gz UWFYOGDQETUCJM-CZUORRHYSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237660902 328523938 /nfs/dbraw/zinc/52/39/38/328523938.db2.gz FBWLIZNPAJRMSX-OLZOCXBDSA-N 1 0 371.441 2.279 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089906426 325341215 /nfs/dbraw/zinc/34/12/15/325341215.db2.gz KUALJFVJGQJZGY-MRXNPFEDSA-N 1 0 360.414 2.138 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000090511294 325361713 /nfs/dbraw/zinc/36/17/13/325361713.db2.gz OIRSLHCGRYJKDQ-UHFFFAOYSA-N 1 0 357.410 2.438 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000102331568 325490684 /nfs/dbraw/zinc/49/06/84/325490684.db2.gz JCAYKGIHWHSFAY-OAHLLOKOSA-N 1 0 351.451 2.153 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108401512 325641452 /nfs/dbraw/zinc/64/14/52/325641452.db2.gz HBKLJKKMRNCLPA-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000109987487 325681623 /nfs/dbraw/zinc/68/16/23/325681623.db2.gz OLEILMHNTIQBDU-ZDUSSCGKSA-N 1 0 372.425 2.287 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109984167 325681627 /nfs/dbraw/zinc/68/16/27/325681627.db2.gz DMMLOPWIXLJHPY-UHFFFAOYSA-N 1 0 358.398 2.041 20 5 FEBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113094906 325824166 /nfs/dbraw/zinc/82/41/66/325824166.db2.gz PWQXNOVWAOOQEJ-UHFFFAOYSA-N 1 0 371.441 2.304 20 5 FEBDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867112 326109658 /nfs/dbraw/zinc/10/96/58/326109658.db2.gz FEGMSIQSCVICIF-INIZCTEOSA-N 1 0 369.425 2.378 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000119777385 326197402 /nfs/dbraw/zinc/19/74/02/326197402.db2.gz FTBIORBQVVCDQF-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000119934687 326213534 /nfs/dbraw/zinc/21/35/34/326213534.db2.gz XSYHSVSCELBMHT-UHFFFAOYSA-N 1 0 350.419 2.132 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000120112869 326231443 /nfs/dbraw/zinc/23/14/43/326231443.db2.gz OSHYELLGBDBXCB-ZDUSSCGKSA-N 1 0 363.462 2.217 20 5 FEBDRO CCC[C@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120286778 326246813 /nfs/dbraw/zinc/24/68/13/326246813.db2.gz XIEVFAIVBULZDI-INIZCTEOSA-N 1 0 355.460 2.450 20 5 FEBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000120340631 326251016 /nfs/dbraw/zinc/25/10/16/326251016.db2.gz YQDMFWYXZYVVFB-HNNXBMFYSA-N 1 0 373.457 2.053 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121099775 326313180 /nfs/dbraw/zinc/31/31/80/326313180.db2.gz RSUYIGQDDBDERJ-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000121698027 326359121 /nfs/dbraw/zinc/35/91/21/326359121.db2.gz CUMCBNLWKBFPIT-HNNXBMFYSA-N 1 0 355.398 2.193 20 5 FEBDRO Cc1cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000124060571 326447089 /nfs/dbraw/zinc/44/70/89/326447089.db2.gz RGLNTLDXHLGFNR-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124747489 326459335 /nfs/dbraw/zinc/45/93/35/326459335.db2.gz OWGCCCWVRJHVDJ-FZKQIMNGSA-N 1 0 362.430 2.160 20 5 FEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000128598146 326526640 /nfs/dbraw/zinc/52/66/40/326526640.db2.gz NBTGSRFBMIKWRJ-UHFFFAOYSA-N 1 0 359.430 2.409 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000131366605 326573415 /nfs/dbraw/zinc/57/34/15/326573415.db2.gz DJAOWZVNOIQLTF-ZDUSSCGKSA-N 1 0 350.394 2.407 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000133005212 326601527 /nfs/dbraw/zinc/60/15/27/326601527.db2.gz JCPFFBQTXDFKAI-AEFFLSMTSA-N 1 0 352.431 2.255 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134820212 326631987 /nfs/dbraw/zinc/63/19/87/326631987.db2.gz HMKDHIHALIEQEE-UONOGXRCSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000151731150 326689656 /nfs/dbraw/zinc/68/96/56/326689656.db2.gz NSMPUCWENDQPTF-UHFFFAOYSA-N 1 0 371.459 2.002 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000154917166 326772479 /nfs/dbraw/zinc/77/24/79/326772479.db2.gz UTAGCGAYNLBZQU-MRXNPFEDSA-N 1 0 367.471 2.232 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000155400566 326786963 /nfs/dbraw/zinc/78/69/63/326786963.db2.gz IAOSQSIIBDMZRV-CYBMUJFWSA-N 1 0 355.460 2.326 20 5 FEBDRO COC(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159179655 326921666 /nfs/dbraw/zinc/92/16/66/326921666.db2.gz XMRHVOXICWJFPO-UHFFFAOYSA-N 1 0 358.398 2.380 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000171628781 327149590 /nfs/dbraw/zinc/14/95/90/327149590.db2.gz HALSSULCGMVGPA-JTQLQIEISA-N 1 0 361.851 2.305 20 5 FEBDRO NS(=O)(=O)c1ccc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000171944067 327171887 /nfs/dbraw/zinc/17/18/87/327171887.db2.gz IURORNCKSDLKFJ-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000172347079 327197313 /nfs/dbraw/zinc/19/73/13/327197313.db2.gz CAHDZIBSGMLLJX-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464068 327203005 /nfs/dbraw/zinc/20/30/05/327203005.db2.gz PYAWCNHEXCTQNK-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173046850 327232271 /nfs/dbraw/zinc/23/22/71/327232271.db2.gz PCFONOWVXZAHQT-CYBMUJFWSA-N 1 0 359.430 2.487 20 5 FEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000173088822 327234607 /nfs/dbraw/zinc/23/46/07/327234607.db2.gz CASVTARZPZPJDM-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000173208205 327241421 /nfs/dbraw/zinc/24/14/21/327241421.db2.gz TYRZRXJDARBJKQ-CQSZACIVSA-N 1 0 370.409 2.432 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173475407 327259862 /nfs/dbraw/zinc/25/98/62/327259862.db2.gz SSSKANJWWKKYTG-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000173512825 327262681 /nfs/dbraw/zinc/26/26/81/327262681.db2.gz FYKSNUAUOMRLQD-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173668486 327275149 /nfs/dbraw/zinc/27/51/49/327275149.db2.gz FJEYRLUHDBODGY-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173670636 327275395 /nfs/dbraw/zinc/27/53/95/327275395.db2.gz WXIOGQMAPNYOHY-ZDUSSCGKSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173952797 327297223 /nfs/dbraw/zinc/29/72/23/327297223.db2.gz ZGKLMPMXYAEECH-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000174657772 327341754 /nfs/dbraw/zinc/34/17/54/327341754.db2.gz ZISXCSPVYXMFPJ-OAHLLOKOSA-N 1 0 371.397 2.173 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000174793459 327351536 /nfs/dbraw/zinc/35/15/36/327351536.db2.gz SADIUTSJIAQEOA-GOSISDBHSA-N 1 0 365.430 2.463 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000174940648 327362666 /nfs/dbraw/zinc/36/26/66/327362666.db2.gz NFOPZTKZGDNVHO-KRWDZBQOSA-N 1 0 371.441 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000261897315 328827773 /nfs/dbraw/zinc/82/77/73/328827773.db2.gz WECSETYEIWEXIH-GHMZBOCLSA-N 1 0 361.851 2.447 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000262787406 328889535 /nfs/dbraw/zinc/88/95/35/328889535.db2.gz QRLRCBUPTVZMLV-MNOVXSKESA-N 1 0 359.835 2.072 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264522414 329032310 /nfs/dbraw/zinc/03/23/10/329032310.db2.gz MSGYVFPASYQZKF-QPGLYAHGSA-N 1 0 372.469 2.237 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264545497 329034301 /nfs/dbraw/zinc/03/43/01/329034301.db2.gz BMFJOJWUHQGTGF-INIZCTEOSA-N 1 0 369.425 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264635315 329043094 /nfs/dbraw/zinc/04/30/94/329043094.db2.gz UWWXYLPTPAOFLJ-ZDUSSCGKSA-N 1 0 373.862 2.497 20 5 FEBDRO O=C(c1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000264839642 329066322 /nfs/dbraw/zinc/06/63/22/329066322.db2.gz WPKVXOMJABEGIR-UHFFFAOYSA-N 1 0 364.471 2.292 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000265113449 329092371 /nfs/dbraw/zinc/09/23/71/329092371.db2.gz LHHXOJFEKRLWSU-LBPRGKRZSA-N 1 0 351.403 2.072 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265133978 329094862 /nfs/dbraw/zinc/09/48/62/329094862.db2.gz SFXHPXQEBIMBLN-UHFFFAOYSA-N 1 0 373.457 2.224 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000265998241 329180351 /nfs/dbraw/zinc/18/03/51/329180351.db2.gz KFDBMJYJCFBFBL-GOSISDBHSA-N 1 0 362.474 2.348 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000266256835 329205286 /nfs/dbraw/zinc/20/52/86/329205286.db2.gz UDFQAGKIRSVSLA-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000266818017 329262616 /nfs/dbraw/zinc/26/26/16/329262616.db2.gz XIABUWWWCQTWIJ-OCCSQVGLSA-N 1 0 350.419 2.228 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011338 329282912 /nfs/dbraw/zinc/28/29/12/329282912.db2.gz HLPRNRVSICADKX-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000267028883 329284831 /nfs/dbraw/zinc/28/48/31/329284831.db2.gz FFDFVUYJMMTDBU-UHFFFAOYSA-N 1 0 356.386 2.454 20 5 FEBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000269202667 329496219 /nfs/dbraw/zinc/49/62/19/329496219.db2.gz XNOWCVKSDWPTBB-UHFFFAOYSA-N 1 0 361.345 2.262 20 5 FEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000269605771 329533943 /nfs/dbraw/zinc/53/39/43/329533943.db2.gz CCLDVSFUGBNZGQ-LBPRGKRZSA-N 1 0 372.429 2.231 20 5 FEBDRO CS[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271609764 329707510 /nfs/dbraw/zinc/70/75/10/329707510.db2.gz KBQZAPHZYMHEAB-WDEREUQCSA-N 1 0 361.265 2.234 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272474563 329784331 /nfs/dbraw/zinc/78/43/31/329784331.db2.gz IRHFXUWZTHIAFM-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO COc1ccc(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272875422 329819867 /nfs/dbraw/zinc/81/98/67/329819867.db2.gz VSDZWEHDURBHDR-STQMWFEESA-N 1 0 366.418 2.224 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000273660087 329882584 /nfs/dbraw/zinc/88/25/84/329882584.db2.gz HWKPDNBSFAFTTH-TZMCWYRMSA-N 1 0 354.432 2.113 20 5 FEBDRO CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000273931224 329903267 /nfs/dbraw/zinc/90/32/67/329903267.db2.gz HUFLJZBVOTWFMY-UHFFFAOYSA-N 1 0 367.421 2.240 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000275501837 330056385 /nfs/dbraw/zinc/05/63/85/330056385.db2.gz DQJVKPFPYSHGCW-IAGOWNOFSA-N 1 0 362.430 2.403 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276222134 330130703 /nfs/dbraw/zinc/13/07/03/330130703.db2.gz IXXLYAXLKJTNPO-UHFFFAOYSA-N 1 0 359.430 2.475 20 5 FEBDRO COC(=O)c1cnc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000276593377 330168277 /nfs/dbraw/zinc/16/82/77/330168277.db2.gz QIKRZHGZFGCNKB-UHFFFAOYSA-N 1 0 371.397 2.248 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CCCN2CCC[C@@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084931 330173993 /nfs/dbraw/zinc/17/39/93/330173993.db2.gz MZBZAFNRAHZZEG-DLBZAZTESA-N 1 0 360.458 2.247 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000291405341 330191026 /nfs/dbraw/zinc/19/10/26/330191026.db2.gz WRURYOOJRBYOIG-WMLDXEAASA-N 1 0 374.441 2.038 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367219917 330232138 /nfs/dbraw/zinc/23/21/38/330232138.db2.gz PCXJTTXUPAOLQQ-CVEARBPZSA-N 1 0 358.394 2.318 20 5 FEBDRO CC(C)[C@@H](C[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000433142648 330272981 /nfs/dbraw/zinc/27/29/81/330272981.db2.gz FBSJXDOCYFWMMR-LLVKDONJSA-N 1 0 362.352 2.373 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433183110 330275307 /nfs/dbraw/zinc/27/53/07/330275307.db2.gz RJPVNBXYRYZDST-OAHLLOKOSA-N 1 0 367.471 2.422 20 5 FEBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247556400 549356424 /nfs/dbraw/zinc/35/64/24/549356424.db2.gz QJFKVISUWFYELI-QZTJIDSGSA-N 1 0 359.430 2.055 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCOCC1 ZINC000156164670 545604508 /nfs/dbraw/zinc/60/45/08/545604508.db2.gz IIALKINFQMLGPI-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000157721542 545773112 /nfs/dbraw/zinc/77/31/12/545773112.db2.gz BNJSNFRNZCYPOD-ZDUSSCGKSA-N 1 0 360.414 2.230 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158645465 545881137 /nfs/dbraw/zinc/88/11/37/545881137.db2.gz GVBLFINALIKIEX-AWEZNQCLSA-N 1 0 367.471 2.373 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159071528 545919302 /nfs/dbraw/zinc/91/93/02/545919302.db2.gz UVZBLSHWMZIZQD-HNNXBMFYSA-N 1 0 368.231 2.112 20 5 FEBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159386871 545948545 /nfs/dbraw/zinc/94/85/45/545948545.db2.gz UZBUDPOECWFCEM-IQIBNGDESA-N 1 0 367.471 2.402 20 5 FEBDRO O=C(NCCc1cn2ccccc2n1)NCCc1cccc([N+](=O)[O-])c1 ZINC000159466495 545956745 /nfs/dbraw/zinc/95/67/45/545956745.db2.gz YPPDJJNLWBHYPF-UHFFFAOYSA-N 1 0 353.382 2.327 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000160532490 546048879 /nfs/dbraw/zinc/04/88/79/546048879.db2.gz SLAVBVGKFBECSR-MSOLQXFVSA-N 1 0 361.442 2.401 20 5 FEBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000171565579 546213867 /nfs/dbraw/zinc/21/38/67/546213867.db2.gz KSHCZIZAGIODIE-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172344864 546248721 /nfs/dbraw/zinc/24/87/21/546248721.db2.gz UGMINDAUTVXEFI-UHFFFAOYSA-N 1 0 363.439 2.386 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000175804942 546354479 /nfs/dbraw/zinc/35/44/79/546354479.db2.gz LYBWBTUEDZNKGA-HNNXBMFYSA-N 1 0 364.446 2.376 20 5 FEBDRO Nc1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000175976646 546384469 /nfs/dbraw/zinc/38/44/69/546384469.db2.gz CHADHBTXUUFVNO-UHFFFAOYSA-N 1 0 364.471 2.268 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176219448 546420689 /nfs/dbraw/zinc/42/06/89/546420689.db2.gz AUTARXYVUWLAAI-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO CC[C@H](C)N(CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176247824 546423789 /nfs/dbraw/zinc/42/37/89/546423789.db2.gz WLXKLTSPJBETLC-ZDUSSCGKSA-N 1 0 370.413 2.329 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000177069535 546537823 /nfs/dbraw/zinc/53/78/23/546537823.db2.gz UKTWONDTJSPIGJ-UHFFFAOYSA-N 1 0 363.393 2.271 20 5 FEBDRO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217260 546572375 /nfs/dbraw/zinc/57/23/75/546572375.db2.gz XPSXTWCAXCLLHS-CABZTGNLSA-N 1 0 362.386 2.475 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481031226 561223397 /nfs/dbraw/zinc/22/33/97/561223397.db2.gz AMZIEOZSDIGHMR-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000481066882 561224417 /nfs/dbraw/zinc/22/44/17/561224417.db2.gz AMZWZQYYMDOUCZ-UHFFFAOYSA-N 1 0 372.381 2.112 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859118 546861960 /nfs/dbraw/zinc/86/19/60/546861960.db2.gz LYXBZMTWBAQPFJ-CJNGLKHVSA-N 1 0 365.430 2.475 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737329 561240251 /nfs/dbraw/zinc/24/02/51/561240251.db2.gz CWZZAJTVSJGLJO-HOCLYGCPSA-N 1 0 352.387 2.016 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000481978429 561246767 /nfs/dbraw/zinc/24/67/67/561246767.db2.gz QKVRCJPTCHWEOD-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000482020740 561247521 /nfs/dbraw/zinc/24/75/21/561247521.db2.gz IUCIHGRHORPUNK-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1F ZINC000180059611 547045507 /nfs/dbraw/zinc/04/55/07/547045507.db2.gz ZHRFYKOIWOWYMI-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000482894599 561262529 /nfs/dbraw/zinc/26/25/29/561262529.db2.gz CSPIHBJTSMXDKK-OAHLLOKOSA-N 1 0 362.474 2.497 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180840589 547191778 /nfs/dbraw/zinc/19/17/78/547191778.db2.gz PBVXNEMOOJFATN-SNVBAGLBSA-N 1 0 355.341 2.410 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000181221052 547273792 /nfs/dbraw/zinc/27/37/92/547273792.db2.gz JEXPARCOFMSGGA-AWEZNQCLSA-N 1 0 361.398 2.414 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000181890931 547398791 /nfs/dbraw/zinc/39/87/91/547398791.db2.gz BEGRRXKSIVAMGH-KBXCAEBGSA-N 1 0 359.430 2.103 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000182254298 547461603 /nfs/dbraw/zinc/46/16/03/547461603.db2.gz ITLOBADHPNZQRG-KRWDZBQOSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182518658 547507484 /nfs/dbraw/zinc/50/74/84/547507484.db2.gz NONXRGMFSYVFGJ-QGZVFWFLSA-N 1 0 360.410 2.137 20 5 FEBDRO Cc1nccn1C[C@H](C)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876710 547564923 /nfs/dbraw/zinc/56/49/23/547564923.db2.gz WGHMOKOMRKWMOM-SJKOYZFVSA-N 1 0 371.397 2.045 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182991832 547584176 /nfs/dbraw/zinc/58/41/76/547584176.db2.gz TVSDQMGOMXJGMP-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183294756 547633854 /nfs/dbraw/zinc/63/38/54/547633854.db2.gz SLFZBIPZVSEMMO-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000183297785 547634722 /nfs/dbraw/zinc/63/47/22/547634722.db2.gz UATMRHSXDFJFOS-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183295566 547635103 /nfs/dbraw/zinc/63/51/03/547635103.db2.gz KFVAWZWUEDYROV-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000183525698 547675259 /nfs/dbraw/zinc/67/52/59/547675259.db2.gz RHJLNQWQJQMKGX-CCEZHUSRSA-N 1 0 361.442 2.303 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183782873 547718709 /nfs/dbraw/zinc/71/87/09/547718709.db2.gz BSCGCSUBJNHFMB-IBGZPJMESA-N 1 0 369.421 2.020 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638220 561301838 /nfs/dbraw/zinc/30/18/38/561301838.db2.gz XAZZDBDBYKJAFM-IVMMDQJWSA-N 1 0 351.403 2.014 20 5 FEBDRO Cc1c(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000183940975 547742027 /nfs/dbraw/zinc/74/20/27/547742027.db2.gz XDLMSNNJINJJBU-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000184448775 547829241 /nfs/dbraw/zinc/82/92/41/547829241.db2.gz XMFCDJREASMTEP-MRXNPFEDSA-N 1 0 367.471 2.375 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000184695113 547866992 /nfs/dbraw/zinc/86/69/92/547866992.db2.gz NMAMVRQCNWXCJT-QGZVFWFLSA-N 1 0 363.458 2.392 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000184809877 547881700 /nfs/dbraw/zinc/88/17/00/547881700.db2.gz QVAHXWURUYCAFS-INIZCTEOSA-N 1 0 363.458 2.127 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184883387 547892763 /nfs/dbraw/zinc/89/27/63/547892763.db2.gz NFUHNYKOSOSXLN-FUHWJXTLSA-N 1 0 363.458 2.127 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000185094607 547931899 /nfs/dbraw/zinc/93/18/99/547931899.db2.gz NWHVDUAZZUNDHB-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+](C)Cc1ccccc1 ZINC000185198600 547949979 /nfs/dbraw/zinc/94/99/79/547949979.db2.gz CTUJSFCTAJFIRJ-CYBMUJFWSA-N 1 0 357.414 2.212 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000186768956 548188728 /nfs/dbraw/zinc/18/87/28/548188728.db2.gz WXIJJUQJGYBCQT-UHFFFAOYSA-N 1 0 355.398 2.098 20 5 FEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186817763 548199525 /nfs/dbraw/zinc/19/95/25/548199525.db2.gz AQCLCHORIHHEOS-UHFFFAOYSA-N 1 0 371.397 2.008 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186901755 548215508 /nfs/dbraw/zinc/21/55/08/548215508.db2.gz QRFOLCOWLDVHAO-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000193947466 548412237 /nfs/dbraw/zinc/41/22/37/548412237.db2.gz LKIXEYLDKGDXLB-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000194767605 548530250 /nfs/dbraw/zinc/53/02/50/548530250.db2.gz HVOHTYWVGWUGKU-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO CN(C)c1ccc2cc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)ccc2n1 ZINC000195267729 548608286 /nfs/dbraw/zinc/60/82/86/548608286.db2.gz ZYXTVYNLLNLGGT-UHFFFAOYSA-N 1 0 367.365 2.009 20 5 FEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236678259 548772579 /nfs/dbraw/zinc/77/25/79/548772579.db2.gz OQZGCEPYOFIHAN-VIFPVBQESA-N 1 0 369.365 2.409 20 5 FEBDRO CCC([NH3+])(CC)CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000236809182 548781245 /nfs/dbraw/zinc/78/12/45/548781245.db2.gz ZKLKMTNJSNSBRT-UHFFFAOYSA-N 1 0 361.345 2.452 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000237049999 548797271 /nfs/dbraw/zinc/79/72/71/548797271.db2.gz NMQQYXMZJXJBOU-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237215839 548808617 /nfs/dbraw/zinc/80/86/17/548808617.db2.gz APRIGELXVUOKLX-CYBMUJFWSA-N 1 0 353.444 2.095 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000237926564 548865170 /nfs/dbraw/zinc/86/51/70/548865170.db2.gz ZFOWARGSPBQEEF-KRWDZBQOSA-N 1 0 357.414 2.418 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000245931437 549022993 /nfs/dbraw/zinc/02/29/93/549022993.db2.gz UYJZWSFGYLEWQG-JKSUJKDBSA-N 1 0 373.384 2.099 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246520471 549151912 /nfs/dbraw/zinc/15/19/12/549151912.db2.gz KSVRFLVIDRCWRI-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488718753 561395188 /nfs/dbraw/zinc/39/51/88/561395188.db2.gz NAMRGMGFEBZWFH-CYBMUJFWSA-N 1 0 367.471 2.309 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000246699095 549191228 /nfs/dbraw/zinc/19/12/28/549191228.db2.gz WDGBWYUCHKODJR-JSGCOSHPSA-N 1 0 363.414 2.168 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246705198 549192672 /nfs/dbraw/zinc/19/26/72/549192672.db2.gz ZNJPWGVKOZQXKQ-IUODEOHRSA-N 1 0 355.460 2.118 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246762996 549207118 /nfs/dbraw/zinc/20/71/18/549207118.db2.gz KIUBCFPDLUNXBZ-RDJZCZTQSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247014725 549265582 /nfs/dbraw/zinc/26/55/82/549265582.db2.gz PYYYJXYZFUJNQA-ZBFHGGJFSA-N 1 0 363.462 2.213 20 5 FEBDRO NC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000247746571 549376564 /nfs/dbraw/zinc/37/65/64/549376564.db2.gz QBIOQCQGAOALJC-UHFFFAOYSA-N 1 0 354.410 2.406 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000247947618 549394020 /nfs/dbraw/zinc/39/40/20/549394020.db2.gz DRGMVYGFNQVMOF-GXTWGEPZSA-N 1 0 363.414 2.168 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000489325754 561408204 /nfs/dbraw/zinc/40/82/04/561408204.db2.gz JONAKMVKTNYMMG-INIZCTEOSA-N 1 0 363.414 2.184 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000249340684 549582377 /nfs/dbraw/zinc/58/23/77/549582377.db2.gz DGXUFSHFSXETKN-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000249365927 549584373 /nfs/dbraw/zinc/58/43/73/549584373.db2.gz MNEISASVNBDCTL-QWHCGFSZSA-N 1 0 367.421 2.141 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000249832745 549632398 /nfs/dbraw/zinc/63/23/98/549632398.db2.gz PUXLQLUTHTVPGG-QUCCMNQESA-N 1 0 371.437 2.323 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000250639870 549643280 /nfs/dbraw/zinc/64/32/80/549643280.db2.gz SQVGWZRVZWRNSY-MCIONIFRSA-N 1 0 362.430 2.016 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000489943370 561422937 /nfs/dbraw/zinc/42/29/37/561422937.db2.gz BDPQJWRLPAVMNZ-JTQLQIEISA-N 1 0 360.336 2.141 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H](N4CC[NH2+]CC4)C3)cs2)c1 ZINC000262178152 549795706 /nfs/dbraw/zinc/79/57/06/549795706.db2.gz WHXORBLSOQQHBD-KRWDZBQOSA-N 1 0 373.482 2.198 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccccc1 ZINC000262315197 549809975 /nfs/dbraw/zinc/80/99/75/549809975.db2.gz ZMCXHJNARXNMIA-CJNGLKHVSA-N 1 0 365.393 2.286 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261520 550041879 /nfs/dbraw/zinc/04/18/79/550041879.db2.gz ZIWOAMYIMKISSM-SUMWQHHRSA-N 1 0 358.442 2.408 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268293214 550045745 /nfs/dbraw/zinc/04/57/45/550045745.db2.gz ZTRUCXMKVBRAJH-RISCZKNCSA-N 1 0 363.414 2.215 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268577465 550089384 /nfs/dbraw/zinc/08/93/84/550089384.db2.gz SJBOTLUWQOQBKO-QGZVFWFLSA-N 1 0 360.458 2.227 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000269109351 550156138 /nfs/dbraw/zinc/15/61/38/550156138.db2.gz AIMQMWIJAMAYPG-IRXDYDNUSA-N 1 0 362.430 2.403 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121263 550157680 /nfs/dbraw/zinc/15/76/80/550157680.db2.gz DBWPSLLWCWILJR-YJBOKZPZSA-N 1 0 356.426 2.492 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000269155820 550161816 /nfs/dbraw/zinc/16/18/16/550161816.db2.gz VNYBVOUVRLNPFU-VIFPVBQESA-N 1 0 373.356 2.404 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493390327 561455883 /nfs/dbraw/zinc/45/58/83/561455883.db2.gz USRQZHTVKBGQLX-RDJZCZTQSA-N 1 0 351.403 2.073 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000493638783 561457334 /nfs/dbraw/zinc/45/73/34/561457334.db2.gz WCWOYBPVNMRFIQ-BETUJISGSA-N 1 0 360.414 2.305 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000493638784 561457415 /nfs/dbraw/zinc/45/74/15/561457415.db2.gz WCWOYBPVNMRFIQ-CHWSQXEVSA-N 1 0 360.414 2.305 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493657311 561457468 /nfs/dbraw/zinc/45/74/68/561457468.db2.gz MOTRQHYOHALNKO-RDJZCZTQSA-N 1 0 351.403 2.073 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493735194 561457884 /nfs/dbraw/zinc/45/78/84/561457884.db2.gz HHTFOXMBKPEOAB-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000270747663 550302795 /nfs/dbraw/zinc/30/27/95/550302795.db2.gz HVWPAVHZWVFMJF-HNNXBMFYSA-N 1 0 359.430 2.011 20 5 FEBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000270929696 550321860 /nfs/dbraw/zinc/32/18/60/550321860.db2.gz DYLBIRCBKAAHMI-LBPRGKRZSA-N 1 0 355.822 2.175 20 5 FEBDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000272252724 550431558 /nfs/dbraw/zinc/43/15/58/550431558.db2.gz CEWIQPLRMUUPEP-GXFFZTMASA-N 1 0 360.357 2.450 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272262672 550432437 /nfs/dbraw/zinc/43/24/37/550432437.db2.gz AVIMHEJZYXSGQR-BDJLRTHQSA-N 1 0 356.382 2.015 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272410107 550445320 /nfs/dbraw/zinc/44/53/20/550445320.db2.gz CBHVFQDPMDSCOA-WCQYABFASA-N 1 0 373.862 2.271 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000272504424 550453888 /nfs/dbraw/zinc/45/38/88/550453888.db2.gz JFNACHLCXBCLEG-GFCCVEGCSA-N 1 0 361.427 2.300 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272516486 550454549 /nfs/dbraw/zinc/45/45/49/550454549.db2.gz NGOWPGMRVJAKQO-LBPRGKRZSA-N 1 0 355.460 2.165 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272571128 550458396 /nfs/dbraw/zinc/45/83/96/550458396.db2.gz LGOUUQODUJRDGR-IAQYHMDHSA-N 1 0 352.822 2.484 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCn3ccnc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494445937 561469801 /nfs/dbraw/zinc/46/98/01/561469801.db2.gz SQVZYRPXCZASBC-OAHLLOKOSA-N 1 0 352.398 2.296 20 5 FEBDRO NS(=O)(=O)c1cccc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000273443651 550498784 /nfs/dbraw/zinc/49/87/84/550498784.db2.gz DNRJOWYHNWYCLU-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275917710 550575155 /nfs/dbraw/zinc/57/51/55/550575155.db2.gz FTLHONYANFFVCF-HXUWFJFHSA-N 1 0 353.422 2.136 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277090472 550630971 /nfs/dbraw/zinc/63/09/71/550630971.db2.gz BIRKJRGHCAYGDY-LBPRGKRZSA-N 1 0 350.375 2.368 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000277169094 550639257 /nfs/dbraw/zinc/63/92/57/550639257.db2.gz KQUUPOHYORELAD-OZAJXLCCSA-N 1 0 353.444 2.075 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277681012 550700763 /nfs/dbraw/zinc/70/07/63/550700763.db2.gz FOWUQFGTRCXAJD-GFCCVEGCSA-N 1 0 360.418 2.145 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497356 550792575 /nfs/dbraw/zinc/79/25/75/550792575.db2.gz WIKNCQLJLBLGNO-CQSZACIVSA-N 1 0 357.414 2.227 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000278555881 550798703 /nfs/dbraw/zinc/79/87/03/550798703.db2.gz MBRDKTSFWLCVFE-CHWSQXEVSA-N 1 0 350.419 2.130 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000278570811 550799997 /nfs/dbraw/zinc/79/99/97/550799997.db2.gz PMKVUPRFEYIJGN-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278634501 550806489 /nfs/dbraw/zinc/80/64/89/550806489.db2.gz IOYDQGSFVMRTNZ-CYBMUJFWSA-N 1 0 360.418 2.097 20 5 FEBDRO CC(=O)N1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279034862 550849058 /nfs/dbraw/zinc/84/90/58/550849058.db2.gz IUQXNQPLZWKXCC-SFHVURJKSA-N 1 0 360.458 2.071 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000279154020 550859446 /nfs/dbraw/zinc/85/94/46/550859446.db2.gz HPFPYZBHVSQHDV-NWDGAFQWSA-N 1 0 352.410 2.355 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279188845 550863199 /nfs/dbraw/zinc/86/31/99/550863199.db2.gz LCSQKFURKMRGBN-GFCCVEGCSA-N 1 0 352.410 2.214 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279513603 550898557 /nfs/dbraw/zinc/89/85/57/550898557.db2.gz UNBNJPJNKNTIJR-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279665380 550914085 /nfs/dbraw/zinc/91/40/85/550914085.db2.gz GYZCEMZLOXMULS-HIFRSBDPSA-N 1 0 362.430 2.160 20 5 FEBDRO O=C(NCC[N@H+]1CC=CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000280282798 550976500 /nfs/dbraw/zinc/97/65/00/550976500.db2.gz QNMGAZVKKRGGMD-UHFFFAOYSA-N 1 0 358.442 2.189 20 5 FEBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000280315348 550979628 /nfs/dbraw/zinc/97/96/28/550979628.db2.gz GJGGINISGGPBOZ-UHFFFAOYSA-N 1 0 365.386 2.007 20 5 FEBDRO Cc1ccnc(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1[N+](=O)[O-] ZINC000280765898 551029802 /nfs/dbraw/zinc/02/98/02/551029802.db2.gz NWAWWEQUSQETPP-SJORKVTESA-N 1 0 354.410 2.388 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280962766 551049695 /nfs/dbraw/zinc/04/96/95/551049695.db2.gz NMTBADVDDRTBMC-UHFFFAOYSA-N 1 0 372.425 2.355 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2(C[NH+](C)C)CCC2)cc1OC ZINC000281126233 551066307 /nfs/dbraw/zinc/06/63/07/551066307.db2.gz SVCOHFNOEJUMOZ-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000281213965 551074615 /nfs/dbraw/zinc/07/46/15/551074615.db2.gz QPTYTKJYVMOMQR-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000281345047 551086772 /nfs/dbraw/zinc/08/67/72/551086772.db2.gz WTRKPVIVUNLDPN-UHFFFAOYSA-N 1 0 371.279 2.431 20 5 FEBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)OC ZINC000281337243 551086355 /nfs/dbraw/zinc/08/63/55/551086355.db2.gz MFKOKKHULJBZBC-GFCCVEGCSA-N 1 0 367.402 2.206 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000282852756 551277736 /nfs/dbraw/zinc/27/77/36/551277736.db2.gz SJPWAKJVOLHNFN-CQSZACIVSA-N 1 0 365.430 2.224 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CCC(=O)NC23CCC3)cccc1[N+](=O)[O-] ZINC000282878286 551281177 /nfs/dbraw/zinc/28/11/77/551281177.db2.gz VEWZBZVLSQQREU-OAHLLOKOSA-N 1 0 360.414 2.023 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000283049328 551303399 /nfs/dbraw/zinc/30/33/99/551303399.db2.gz SBEGVMDPUWLMDX-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000497873963 561510389 /nfs/dbraw/zinc/51/03/89/561510389.db2.gz BWPXLBMLCBXAKO-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)c1F ZINC000284155300 551494180 /nfs/dbraw/zinc/49/41/80/551494180.db2.gz JMORFJIGBYEXFU-UHFFFAOYSA-N 1 0 362.361 2.018 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284898293 551662093 /nfs/dbraw/zinc/66/20/93/551662093.db2.gz RRNOFBVWVNONRE-IRXDYDNUSA-N 1 0 372.425 2.197 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1F ZINC000284916062 551666136 /nfs/dbraw/zinc/66/61/36/551666136.db2.gz MXSOCBCTGARHHH-ZDUSSCGKSA-N 1 0 365.405 2.368 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](c1nncn1C)C(C)C ZINC000285331770 551739897 /nfs/dbraw/zinc/73/98/97/551739897.db2.gz JTXLISTXGMYRSK-INIZCTEOSA-N 1 0 360.418 2.347 20 5 FEBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000285369517 551745121 /nfs/dbraw/zinc/74/51/21/551745121.db2.gz FTUTXDYHGRMVHT-CQSZACIVSA-N 1 0 369.219 2.051 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000285379977 551746395 /nfs/dbraw/zinc/74/63/95/551746395.db2.gz RPIQRIMQKJUCGZ-UHFFFAOYSA-N 1 0 359.423 2.230 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447794 551758475 /nfs/dbraw/zinc/75/84/75/551758475.db2.gz ZIRVXQKHGSPNAK-GUYCJALGSA-N 1 0 369.425 2.414 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000285450633 551758746 /nfs/dbraw/zinc/75/87/46/551758746.db2.gz YKQPKHFKQQWLBJ-GOSISDBHSA-N 1 0 363.414 2.113 20 5 FEBDRO CCc1cc(NCCOCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000498908657 561537536 /nfs/dbraw/zinc/53/75/36/561537536.db2.gz CQHOKIYMIQHUIL-UHFFFAOYSA-N 1 0 359.430 2.026 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285602626 551781164 /nfs/dbraw/zinc/78/11/64/551781164.db2.gz WSPGRCHEPRQTAB-UHFFFAOYSA-N 1 0 365.474 2.197 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285665554 551791896 /nfs/dbraw/zinc/79/18/96/551791896.db2.gz PYFDJZXTAFUTNR-UONOGXRCSA-N 1 0 355.460 2.259 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000286538201 551897470 /nfs/dbraw/zinc/89/74/70/551897470.db2.gz SQYQAAPLVHVNTQ-LBPRGKRZSA-N 1 0 363.443 2.148 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286878497 551936020 /nfs/dbraw/zinc/93/60/20/551936020.db2.gz ZEAMPPSDYLREAW-CZUORRHYSA-N 1 0 353.444 2.151 20 5 FEBDRO O=c1[nH]c(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287133904 551967707 /nfs/dbraw/zinc/96/77/07/551967707.db2.gz DJGPMMUWMKDIJA-GFCCVEGCSA-N 1 0 373.413 2.156 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000288187029 552106556 /nfs/dbraw/zinc/10/65/56/552106556.db2.gz GCNAMFPVYHZFPG-SFHVURJKSA-N 1 0 361.442 2.239 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288479712 552160524 /nfs/dbraw/zinc/16/05/24/552160524.db2.gz QXIKOWQBKTWGEI-SFHVURJKSA-N 1 0 355.398 2.056 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000288632062 552188525 /nfs/dbraw/zinc/18/85/25/552188525.db2.gz BBWBKGZIYGEJSY-ZDUSSCGKSA-N 1 0 366.393 2.371 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000500102473 561566028 /nfs/dbraw/zinc/56/60/28/561566028.db2.gz MZIFSHGXIFOOMQ-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289679398 552361211 /nfs/dbraw/zinc/36/12/11/552361211.db2.gz JMROATZMBIDVLZ-CABCVRRESA-N 1 0 358.442 2.267 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000500548601 561576698 /nfs/dbraw/zinc/57/66/98/561576698.db2.gz VFPPDBIMLZJNSR-SMDDNHRTSA-N 1 0 361.851 2.056 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000290673583 552517134 /nfs/dbraw/zinc/51/71/34/552517134.db2.gz PNSZTYVZCOCBQK-UHFFFAOYSA-N 1 0 358.398 2.250 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1C ZINC000501158214 561591638 /nfs/dbraw/zinc/59/16/38/561591638.db2.gz OBDPAHFGFOLJOD-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000291609139 552642814 /nfs/dbraw/zinc/64/28/14/552642814.db2.gz AXUHTFUOXSASED-GFCCVEGCSA-N 1 0 371.434 2.229 20 5 FEBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292154865 552698941 /nfs/dbraw/zinc/69/89/41/552698941.db2.gz KHZVXRDFLRAXHY-CRAIPNDOSA-N 1 0 363.458 2.141 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292827934 552762362 /nfs/dbraw/zinc/76/23/62/552762362.db2.gz OPCWDMVEIQERAU-INIZCTEOSA-N 1 0 353.444 2.010 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000292883208 552768151 /nfs/dbraw/zinc/76/81/51/552768151.db2.gz VALROEWVLXNNRT-UONOGXRCSA-N 1 0 357.357 2.496 20 5 FEBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292978155 552776988 /nfs/dbraw/zinc/77/69/88/552776988.db2.gz HCCPELUOXAKFAZ-NVXWUHKLSA-N 1 0 352.431 2.111 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)OCCCO3)c2c(c1)COCO2 ZINC000293006535 552779557 /nfs/dbraw/zinc/77/95/57/552779557.db2.gz NNSNVQVXABTDBG-UHFFFAOYSA-N 1 0 350.371 2.190 20 5 FEBDRO NC(=O)c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000293262027 552804493 /nfs/dbraw/zinc/80/44/93/552804493.db2.gz IUEZBHDVVNPTOL-UHFFFAOYSA-N 1 0 369.421 2.220 20 5 FEBDRO Cc1nn([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128307 552884122 /nfs/dbraw/zinc/88/41/22/552884122.db2.gz FGKPFKIRRLLXEF-HOCLYGCPSA-N 1 0 357.414 2.051 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000294282385 552893847 /nfs/dbraw/zinc/89/38/47/552893847.db2.gz ZTUPRNOQVWQLLN-UHFFFAOYSA-N 1 0 358.402 2.180 20 5 FEBDRO Cn1ccnc1[C@@H]1N(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000295202378 552969440 /nfs/dbraw/zinc/96/94/40/552969440.db2.gz FKSJMGWVJBVUDU-ZDUSSCGKSA-N 1 0 368.390 2.239 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000295274067 552980172 /nfs/dbraw/zinc/98/01/72/552980172.db2.gz HWBVRCFJTXJQKQ-YOGCLGLASA-N 1 0 373.862 2.460 20 5 FEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000295393349 552998966 /nfs/dbraw/zinc/99/89/66/552998966.db2.gz QSYYPTLMHGEAAQ-LBPRGKRZSA-N 1 0 363.414 2.168 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]2CCO[C@@H]21 ZINC000295846525 553067450 /nfs/dbraw/zinc/06/74/50/553067450.db2.gz DEFDWJZSPHSYSP-XZJROXQQSA-N 1 0 351.378 2.466 20 5 FEBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000296267101 553132073 /nfs/dbraw/zinc/13/20/73/553132073.db2.gz YCNKIIHOZFNBKS-LBPRGKRZSA-N 1 0 361.402 2.499 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000296322968 553140877 /nfs/dbraw/zinc/14/08/77/553140877.db2.gz SLNXZYKDLXOSGS-GFCCVEGCSA-N 1 0 374.441 2.093 20 5 FEBDRO NC(=O)c1cccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000296582995 553183142 /nfs/dbraw/zinc/18/31/42/553183142.db2.gz DYUVCVIYBHYJGG-SFHVURJKSA-N 1 0 355.394 2.392 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000296790205 553212181 /nfs/dbraw/zinc/21/21/81/553212181.db2.gz BNWQCASZBXQWCI-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000297239543 553268036 /nfs/dbraw/zinc/26/80/36/553268036.db2.gz PPOJKBJTGRHYOT-JKSUJKDBSA-N 1 0 373.384 2.456 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000297933797 553359367 /nfs/dbraw/zinc/35/93/67/553359367.db2.gz RLAMSDDDIUFXEH-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000297988864 553367580 /nfs/dbraw/zinc/36/75/80/553367580.db2.gz AGEVCZIDASZSGL-INIZCTEOSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000298348228 553415029 /nfs/dbraw/zinc/41/50/29/553415029.db2.gz MLCQURPBWUHUKQ-MRXNPFEDSA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1cc(F)ccc1C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000298414765 553422336 /nfs/dbraw/zinc/42/23/36/553422336.db2.gz XHDOZGRCCAUHTN-KRWDZBQOSA-N 1 0 362.405 2.479 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298737886 553466307 /nfs/dbraw/zinc/46/63/07/553466307.db2.gz WCTMTSFTIHOKNJ-UHFFFAOYSA-N 1 0 369.425 2.474 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000298966872 553496433 /nfs/dbraw/zinc/49/64/33/553496433.db2.gz ZBMLFAKFJQZYSQ-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000299136100 553520200 /nfs/dbraw/zinc/52/02/00/553520200.db2.gz QLANSJHWLAVMJZ-KRWDZBQOSA-N 1 0 357.414 2.135 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000299193250 553528353 /nfs/dbraw/zinc/52/83/53/553528353.db2.gz DMBMQXFYOVAAOD-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000299219116 553532297 /nfs/dbraw/zinc/53/22/97/553532297.db2.gz IHMPQGHFDGKCLD-OAHLLOKOSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)C ZINC000299223155 553533212 /nfs/dbraw/zinc/53/32/12/553533212.db2.gz HZRLWIJAPKZGSH-CQSZACIVSA-N 1 0 353.419 2.271 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000503977694 561651214 /nfs/dbraw/zinc/65/12/14/561651214.db2.gz NKQCKPLPWFHSNK-UHFFFAOYSA-N 1 0 373.475 2.343 20 5 FEBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299540769 553578501 /nfs/dbraw/zinc/57/85/01/553578501.db2.gz OJKZTAPLZXBBLJ-UHFFFAOYSA-N 1 0 357.414 2.268 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302706 561655905 /nfs/dbraw/zinc/65/59/05/561655905.db2.gz OKLBDQWPCQFKJY-JKSUJKDBSA-N 1 0 373.457 2.053 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC[NH+](C2CC2)CC1 ZINC000301093329 553621338 /nfs/dbraw/zinc/62/13/38/553621338.db2.gz LSJKAXYUBHAWIF-UHFFFAOYSA-N 1 0 364.358 2.328 20 5 FEBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@@H+]1CCc2ccccc2C1 ZINC000301105914 553622186 /nfs/dbraw/zinc/62/21/86/553622186.db2.gz NFSFDUAVKCDCLV-HNNXBMFYSA-N 1 0 356.430 2.462 20 5 FEBDRO CC[NH+]1CCN(CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301144636 553625283 /nfs/dbraw/zinc/62/52/83/553625283.db2.gz AAXZYELDJQCOOA-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301228267 553633288 /nfs/dbraw/zinc/63/32/88/553633288.db2.gz GDPIKEOJASRUHV-UHFFFAOYSA-N 1 0 363.386 2.122 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301283634 553638943 /nfs/dbraw/zinc/63/89/43/553638943.db2.gz NNPMWHKZCYEKEP-ZFWWWQNUSA-N 1 0 369.425 2.232 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690820 553671856 /nfs/dbraw/zinc/67/18/56/553671856.db2.gz NOLXVKSOXMQJCR-LLVKDONJSA-N 1 0 359.224 2.275 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302141649 553706646 /nfs/dbraw/zinc/70/66/46/553706646.db2.gz PCVWNEIVRIPVLV-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO CC1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302499960 553719175 /nfs/dbraw/zinc/71/91/75/553719175.db2.gz CNECZIGLWDKMFW-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320716001 553765792 /nfs/dbraw/zinc/76/57/92/553765792.db2.gz QGYXGFBYHHOWHY-PHIMTYICSA-N 1 0 368.231 2.429 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324205476 553771492 /nfs/dbraw/zinc/77/14/92/553771492.db2.gz NZVYMEKBIMYZBO-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000324980812 553774476 /nfs/dbraw/zinc/77/44/76/553774476.db2.gz RFDXWQSVQGNYIX-KGLIPLIRSA-N 1 0 353.444 2.198 20 5 FEBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000506464220 561699469 /nfs/dbraw/zinc/69/94/69/561699469.db2.gz AAUDKKIXQOFKKP-UHFFFAOYSA-N 1 0 357.414 2.480 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507459519 561729935 /nfs/dbraw/zinc/72/99/35/561729935.db2.gz GFSVXLKWYYLWDC-DLBZAZTESA-N 1 0 367.471 2.432 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000507493210 561730930 /nfs/dbraw/zinc/73/09/30/561730930.db2.gz HBMHOKFQUURJCC-HUUCEWRRSA-N 1 0 367.471 2.432 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330886482 554183660 /nfs/dbraw/zinc/18/36/60/554183660.db2.gz GKFUEBZLSGCILQ-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000331031438 554203419 /nfs/dbraw/zinc/20/34/19/554203419.db2.gz GNGLHHJRJPFVRD-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331865085 554333845 /nfs/dbraw/zinc/33/38/45/554333845.db2.gz GANSUAZADGLYFF-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)cc([N+](=O)[O-])c1OC ZINC000509668293 561809621 /nfs/dbraw/zinc/80/96/21/561809621.db2.gz CLDKHEQQKQRQEH-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO CC[NH+]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331964743 554353940 /nfs/dbraw/zinc/35/39/40/554353940.db2.gz APVJPNFNXCTMGY-KBPBESRZSA-N 1 0 362.430 2.307 20 5 FEBDRO COc1c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332084192 554377248 /nfs/dbraw/zinc/37/72/48/554377248.db2.gz PLYMQBFGQYXBIB-GJZGRUSLSA-N 1 0 365.455 2.255 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000332091771 554378544 /nfs/dbraw/zinc/37/85/44/554378544.db2.gz VVGJFHZTCWEVPU-GDBMZVCRSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371395 554433824 /nfs/dbraw/zinc/43/38/24/554433824.db2.gz BCOXEHUYUOMCPD-WBVHZDCISA-N 1 0 362.474 2.061 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332436591 554446081 /nfs/dbraw/zinc/44/60/81/554446081.db2.gz YMZDLXVLHGPANP-WFASDCNBSA-N 1 0 353.444 2.323 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000510539997 561838453 /nfs/dbraw/zinc/83/84/53/561838453.db2.gz UBSUIYPBDIMUKW-XJKSGUPXSA-N 1 0 367.471 2.405 20 5 FEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510555705 561838688 /nfs/dbraw/zinc/83/86/88/561838688.db2.gz WJOXSYOOLNCGPC-LRDDRELGSA-N 1 0 358.398 2.425 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000510713687 561844392 /nfs/dbraw/zinc/84/43/92/561844392.db2.gz BKBZYTZAALPXFT-UONOGXRCSA-N 1 0 373.450 2.381 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000510978622 561852911 /nfs/dbraw/zinc/85/29/11/561852911.db2.gz ASEKSGYYIXZQKO-HNNXBMFYSA-N 1 0 355.460 2.310 20 5 FEBDRO C[N@H+](CCN1CCN(c2ccncc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511374956 561867279 /nfs/dbraw/zinc/86/72/79/561867279.db2.gz BZZMWNVWGUIUGE-UHFFFAOYSA-N 1 0 355.442 2.244 20 5 FEBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360973664 554898381 /nfs/dbraw/zinc/89/83/81/554898381.db2.gz VMOGFADGAOVXNT-ZDUSSCGKSA-N 1 0 353.854 2.248 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141077 554905701 /nfs/dbraw/zinc/90/57/01/554905701.db2.gz IJYFXULWXOKXSA-DZGCQCFKSA-N 1 0 357.414 2.045 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000362164391 554953642 /nfs/dbraw/zinc/95/36/42/554953642.db2.gz VRLPCQSZFUKXNC-OAHLLOKOSA-N 1 0 370.409 2.023 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000362165977 554953754 /nfs/dbraw/zinc/95/37/54/554953754.db2.gz YZBZXAMKSAIWJA-CQSZACIVSA-N 1 0 370.409 2.363 20 5 FEBDRO CC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000362328070 554964172 /nfs/dbraw/zinc/96/41/72/554964172.db2.gz WJROPCQTIWCKHQ-AWEZNQCLSA-N 1 0 360.458 2.402 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388286 554968323 /nfs/dbraw/zinc/96/83/23/554968323.db2.gz CXAQLACZSHKJMA-CABCVRRESA-N 1 0 361.398 2.128 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362396979 554969531 /nfs/dbraw/zinc/96/95/31/554969531.db2.gz QEYTZZJMICZCNU-UONOGXRCSA-N 1 0 365.455 2.300 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787823 554988626 /nfs/dbraw/zinc/98/86/26/554988626.db2.gz LCBLCUDWFQLBKC-IRXDYDNUSA-N 1 0 374.441 2.132 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000362930721 555000607 /nfs/dbraw/zinc/00/06/07/555000607.db2.gz FVFUYUFIGMSJMM-BLLLJJGKSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363260004 555066012 /nfs/dbraw/zinc/06/60/12/555066012.db2.gz SAWRDXWVJIUURI-NOLJZWGESA-N 1 0 363.389 2.055 20 5 FEBDRO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901237 555209799 /nfs/dbraw/zinc/20/97/99/555209799.db2.gz YVPOWFVLUWHBSY-OCCSQVGLSA-N 1 0 359.386 2.289 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044406 555239465 /nfs/dbraw/zinc/23/94/65/555239465.db2.gz XAEGXDBAICIQLC-STQMWFEESA-N 1 0 362.386 2.476 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364204262 555269145 /nfs/dbraw/zinc/26/91/45/555269145.db2.gz ZBZPWOOLASPENL-LSDHHAIUSA-N 1 0 359.357 2.066 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364328289 555291910 /nfs/dbraw/zinc/29/19/10/555291910.db2.gz MPBMJDSEOMYPLI-HNNXBMFYSA-N 1 0 364.450 2.014 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364625795 555356447 /nfs/dbraw/zinc/35/64/47/555356447.db2.gz KCWWQAMFOSUSJU-BMGDILEWSA-N 1 0 359.426 2.229 20 5 FEBDRO COC(=O)[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000364764729 555396404 /nfs/dbraw/zinc/39/64/04/555396404.db2.gz PZLNFENCWPDTPE-ZDUSSCGKSA-N 1 0 360.370 2.276 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000364952478 555448448 /nfs/dbraw/zinc/44/84/48/555448448.db2.gz CQANFWHRDIOICE-NSHDSACASA-N 1 0 358.236 2.250 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365017426 555465906 /nfs/dbraw/zinc/46/59/06/555465906.db2.gz NGLOFVHPXXVMES-CABCVRRESA-N 1 0 358.398 2.004 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000365357454 555552501 /nfs/dbraw/zinc/55/25/01/555552501.db2.gz QCQAXOZZRWVYFQ-GWCFXTLKSA-N 1 0 368.231 2.490 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000365376421 555557531 /nfs/dbraw/zinc/55/75/31/555557531.db2.gz BTVNVOAQTYZASE-UONOGXRCSA-N 1 0 365.434 2.123 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365542942 555604461 /nfs/dbraw/zinc/60/44/61/555604461.db2.gz ANADFKZESLUIBX-KKUMJFAQSA-N 1 0 374.397 2.368 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365629528 555627050 /nfs/dbraw/zinc/62/70/50/555627050.db2.gz MYEYRENIWPRXBH-INMHGKMJSA-N 1 0 368.393 2.070 20 5 FEBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365817931 555674375 /nfs/dbraw/zinc/67/43/75/555674375.db2.gz DKOVEVMJVQCZEM-KRWDZBQOSA-N 1 0 374.441 2.485 20 5 FEBDRO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000365834281 555678720 /nfs/dbraw/zinc/67/87/20/555678720.db2.gz GPTUWKDBPJOSBP-KRWDZBQOSA-N 1 0 363.462 2.294 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365996011 555721718 /nfs/dbraw/zinc/72/17/18/555721718.db2.gz KHGXUHCUMWEHPA-HIFRSBDPSA-N 1 0 364.450 2.011 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866127 561952871 /nfs/dbraw/zinc/95/28/71/561952871.db2.gz NZRDOARSWQPSPF-QBPKDAKJSA-N 1 0 357.410 2.247 20 5 FEBDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388816 555830375 /nfs/dbraw/zinc/83/03/75/555830375.db2.gz LLKQFWASGNFVQD-BZNIZROVSA-N 1 0 366.805 2.058 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366818912 555942927 /nfs/dbraw/zinc/94/29/27/555942927.db2.gz AGFITECYOBWUNF-UHFFFAOYSA-N 1 0 367.471 2.232 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000514597140 561968793 /nfs/dbraw/zinc/96/87/93/561968793.db2.gz GEHXPOYNOFYEPQ-LJQANCHMSA-N 1 0 373.457 2.293 20 5 FEBDRO Nc1nccc([C@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366991762 555991297 /nfs/dbraw/zinc/99/12/97/555991297.db2.gz ZRZWMUJGWBCWJU-AWEZNQCLSA-N 1 0 357.414 2.616 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000367284602 556007981 /nfs/dbraw/zinc/00/79/81/556007981.db2.gz FHVXMEAPJHUVNC-OAHLLOKOSA-N 1 0 357.414 2.445 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000367308951 556015136 /nfs/dbraw/zinc/01/51/36/556015136.db2.gz RSBNALZUFNTBSU-SMNXXWJPSA-N 1 0 371.393 2.396 20 5 FEBDRO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)c(F)c1 ZINC000367706247 556119132 /nfs/dbraw/zinc/11/91/32/556119132.db2.gz RVCYFYGYLSMBBQ-GDBMZVCRSA-N 1 0 351.357 2.105 20 5 FEBDRO Cn1ccnc1[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000515166683 561998861 /nfs/dbraw/zinc/99/88/61/561998861.db2.gz ZSCKUZORMDLIEM-CZUORRHYSA-N 1 0 373.413 2.167 20 5 FEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000515176188 561999386 /nfs/dbraw/zinc/99/93/86/561999386.db2.gz BMGUSZKKJPJSGA-UHFFFAOYSA-N 1 0 369.365 2.409 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368371270 556290287 /nfs/dbraw/zinc/29/02/87/556290287.db2.gz UVRMNHGMHAWZPU-SMDDNHRTSA-N 1 0 368.231 2.110 20 5 FEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000368382735 556293673 /nfs/dbraw/zinc/29/36/73/556293673.db2.gz ASMAFAMYEBZFSC-LBPRGKRZSA-N 1 0 354.204 2.229 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000368417940 556302988 /nfs/dbraw/zinc/30/29/88/556302988.db2.gz VGRJZHLTBKNOAK-IRXDYDNUSA-N 1 0 359.357 2.066 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000368430108 556306615 /nfs/dbraw/zinc/30/66/15/556306615.db2.gz SYUGLTWXYGFIRC-IUODEOHRSA-N 1 0 351.378 2.103 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cccs2)c([N+](=O)[O-])c1 ZINC000515331940 562005395 /nfs/dbraw/zinc/00/53/95/562005395.db2.gz ILGCJKDCWUJIDE-UHFFFAOYSA-N 1 0 355.441 2.025 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000515416547 562009808 /nfs/dbraw/zinc/00/98/08/562009808.db2.gz ZDXKFNXKWGKOSW-CQSZACIVSA-N 1 0 366.466 2.258 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368821043 556422449 /nfs/dbraw/zinc/42/24/49/556422449.db2.gz AGWSNOZDZKPBEU-XNVVNFSMSA-N 1 0 359.426 2.056 20 5 FEBDRO CCOc1cccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000368871302 556434264 /nfs/dbraw/zinc/43/42/64/556434264.db2.gz XQNJJQISAWPGAR-HOTGVXAUSA-N 1 0 362.474 2.456 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951769 556457789 /nfs/dbraw/zinc/45/77/89/556457789.db2.gz RUOIWAPDCVRHTF-HNNXBMFYSA-N 1 0 355.442 2.723 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368964544 556460607 /nfs/dbraw/zinc/46/06/07/556460607.db2.gz GLXMHBGNIQKJER-DOTOQJQBSA-N 1 0 363.458 2.079 20 5 FEBDRO Cc1ncc(CN2CC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000368963715 556460975 /nfs/dbraw/zinc/46/09/75/556460975.db2.gz CDXMSCGNDYTNDF-WBMJQRKESA-N 1 0 364.475 2.056 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000368966278 556461468 /nfs/dbraw/zinc/46/14/68/556461468.db2.gz YBWLSWHPWWQSQA-UHFFFAOYSA-N 1 0 362.352 2.292 20 5 FEBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369164022 556523215 /nfs/dbraw/zinc/52/32/15/556523215.db2.gz NPTBJJWJJNSNRI-OAHLLOKOSA-N 1 0 369.425 2.214 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000516002016 562027561 /nfs/dbraw/zinc/02/75/61/562027561.db2.gz LPNAJOQTGWMWPE-MRXNPFEDSA-N 1 0 357.410 2.263 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369657442 556660879 /nfs/dbraw/zinc/66/08/79/556660879.db2.gz BKOXKSQXZGNLGR-XIRDDKMYSA-N 1 0 374.441 2.229 20 5 FEBDRO Cc1ccccc1CN(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693869 556670389 /nfs/dbraw/zinc/67/03/89/556670389.db2.gz VWRLNFNDWGZURR-UHFFFAOYSA-N 1 0 371.441 2.395 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@H](C)C1 ZINC000516341257 562040369 /nfs/dbraw/zinc/04/03/69/562040369.db2.gz QBFHTRBJNPDATC-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000369724150 556678354 /nfs/dbraw/zinc/67/83/54/556678354.db2.gz ZRQGGEVJYBSAEA-UHFFFAOYSA-N 1 0 371.434 2.230 20 5 FEBDRO CN(C(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)c1ccccc1 ZINC000369996506 556752414 /nfs/dbraw/zinc/75/24/14/556752414.db2.gz MRKZOBLWWBSBEI-UHFFFAOYSA-N 1 0 357.414 2.166 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000370060843 556769888 /nfs/dbraw/zinc/76/98/88/556769888.db2.gz RCGKXNLELTYDBH-UHFFFAOYSA-N 1 0 361.358 2.415 20 5 FEBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417986 556867100 /nfs/dbraw/zinc/86/71/00/556867100.db2.gz DRRYQNOFGPFMEX-GJZGRUSLSA-N 1 0 358.373 2.191 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370423704 556868368 /nfs/dbraw/zinc/86/83/68/556868368.db2.gz METUJYNZXBUSSZ-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]2N1 ZINC000370712546 556946398 /nfs/dbraw/zinc/94/63/98/556946398.db2.gz WHFMSXOHRCAARG-JKSUJKDBSA-N 1 0 373.434 2.413 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992075 557038589 /nfs/dbraw/zinc/03/85/89/557038589.db2.gz MOYFJYFGDYXCQZ-KGLIPLIRSA-N 1 0 363.414 2.290 20 5 FEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371352417 557157198 /nfs/dbraw/zinc/15/71/98/557157198.db2.gz XJSZCBDIEBBTMS-DOMZBBRYSA-N 1 0 353.854 2.105 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2CCC1(C[NH3+])CC2 ZINC000517391325 562088360 /nfs/dbraw/zinc/08/83/60/562088360.db2.gz QCRGMUDCBNSHRD-UHFFFAOYSA-N 1 0 362.430 2.135 20 5 FEBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517853339 562099107 /nfs/dbraw/zinc/09/91/07/562099107.db2.gz OSGQXCRJQXUDPV-YJBOKZPZSA-N 1 0 356.426 2.276 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000371689971 557263482 /nfs/dbraw/zinc/26/34/82/557263482.db2.gz UOJSFTWNJGZLEI-JKSUJKDBSA-N 1 0 360.414 2.086 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C/C=C\c2ccccc2)c1 ZINC000518290005 562107778 /nfs/dbraw/zinc/10/77/78/562107778.db2.gz FPUKYHUMAZYIQT-YVMONPNESA-N 1 0 361.423 2.176 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371821683 557303026 /nfs/dbraw/zinc/30/30/26/557303026.db2.gz BYQPISPVUSMVKA-VOGRQWBCSA-N 1 0 372.469 2.283 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000518342609 562108982 /nfs/dbraw/zinc/10/89/82/562108982.db2.gz ADLKNZQIXPODFU-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CN(C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452545 562111840 /nfs/dbraw/zinc/11/18/40/562111840.db2.gz LTKLUXHKTMPBKQ-AWEZNQCLSA-N 1 0 374.441 2.199 20 5 FEBDRO COC1CC[NH+](C2(CNc3c([N+](=O)[O-])c(C)nn3C)CCCC2)CC1 ZINC000518594997 562114834 /nfs/dbraw/zinc/11/48/34/562114834.db2.gz FHTMPMDUOKBFSI-UHFFFAOYSA-N 1 0 351.451 2.472 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000372569392 557507783 /nfs/dbraw/zinc/50/77/83/557507783.db2.gz IZDLCSMKADUJOX-INIZCTEOSA-N 1 0 363.462 2.357 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372591027 557514472 /nfs/dbraw/zinc/51/44/72/557514472.db2.gz RSDHRZMJHFGHAM-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000372613625 557521086 /nfs/dbraw/zinc/52/10/86/557521086.db2.gz RSLFSCOPNOHYKA-KRWDZBQOSA-N 1 0 360.389 2.375 20 5 FEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000519563379 562135072 /nfs/dbraw/zinc/13/50/72/562135072.db2.gz XKUKIPLBCKHFBK-QGZVFWFLSA-N 1 0 359.401 2.460 20 5 FEBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722781 557547378 /nfs/dbraw/zinc/54/73/78/557547378.db2.gz BQLKSQDQTHJLMA-DOTOQJQBSA-N 1 0 370.409 2.374 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000372867217 557578866 /nfs/dbraw/zinc/57/88/66/557578866.db2.gz UGYFHELOLBOBAB-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372958058 557597086 /nfs/dbraw/zinc/59/70/86/557597086.db2.gz BPPYEFSJIQHXQW-GDBMZVCRSA-N 1 0 358.442 2.022 20 5 FEBDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112981 557631242 /nfs/dbraw/zinc/63/12/42/557631242.db2.gz PDPXOLLLLUIVHT-PBHICJAKSA-N 1 0 373.413 2.189 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373224883 557653270 /nfs/dbraw/zinc/65/32/70/557653270.db2.gz AGJGXILRKYXAME-UHFFFAOYSA-N 1 0 358.402 3.010 20 5 FEBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672500 557735887 /nfs/dbraw/zinc/73/58/87/557735887.db2.gz IEPDOFADDIGQBG-LSDHHAIUSA-N 1 0 362.430 2.008 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])cc1OC ZINC000373955502 557795989 /nfs/dbraw/zinc/79/59/89/557795989.db2.gz JMGNXNMKFPAOGY-AWEZNQCLSA-N 1 0 373.413 2.161 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000521032274 562168027 /nfs/dbraw/zinc/16/80/27/562168027.db2.gz BQVDGNXBNFYARE-JZXOWHBKSA-N 1 0 363.414 2.240 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374295071 557860469 /nfs/dbraw/zinc/86/04/69/557860469.db2.gz LVYFWXGJDXQPHC-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000374390370 557877559 /nfs/dbraw/zinc/87/75/59/557877559.db2.gz VMZDPGPXYLHEMT-MRXNPFEDSA-N 1 0 374.328 2.429 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000374585917 557902899 /nfs/dbraw/zinc/90/28/99/557902899.db2.gz LMRQEVUGFCRAJB-WRFANHODSA-N 1 0 350.415 2.080 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000374598493 557904928 /nfs/dbraw/zinc/90/49/28/557904928.db2.gz ZGRFQVULWLIWAL-COLVAYQJSA-N 1 0 356.382 2.048 20 5 FEBDRO CN(C)c1noc([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374636083 557910172 /nfs/dbraw/zinc/91/01/72/557910172.db2.gz KWHMXGDXBXPRIC-ZDUSSCGKSA-N 1 0 361.402 2.302 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375280445 558003646 /nfs/dbraw/zinc/00/36/46/558003646.db2.gz USPLGEKBGWLYFE-UHFFFAOYSA-N 1 0 367.471 2.312 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466932 558032275 /nfs/dbraw/zinc/03/22/75/558032275.db2.gz XGRBEJDNICYJNE-HIFRSBDPSA-N 1 0 374.397 2.084 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375635382 558060389 /nfs/dbraw/zinc/06/03/89/558060389.db2.gz CHJASMKOZHZPPY-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO CCC(=O)c1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000375654477 558062972 /nfs/dbraw/zinc/06/29/72/558062972.db2.gz JDANQSZDLANOSG-MRXNPFEDSA-N 1 0 360.458 2.404 20 5 FEBDRO Cc1cccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000375882135 558093188 /nfs/dbraw/zinc/09/31/88/558093188.db2.gz RRPGDRQXXTXRJC-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000521620317 562180485 /nfs/dbraw/zinc/18/04/85/562180485.db2.gz FYMBKNGRZMCUTL-QGPMSJSTSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376079161 558124021 /nfs/dbraw/zinc/12/40/21/558124021.db2.gz FTQIYELZEMQCOU-AWEZNQCLSA-N 1 0 364.450 2.012 20 5 FEBDRO CC(=O)c1cc(NC2CCN(CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000376158383 558134791 /nfs/dbraw/zinc/13/47/91/558134791.db2.gz PANNKVKSKIACPC-UHFFFAOYSA-N 1 0 374.441 2.296 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376296678 558154052 /nfs/dbraw/zinc/15/40/52/558154052.db2.gz RMIZBRYMEQTUOU-ZFWWWQNUSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000521691902 562182295 /nfs/dbraw/zinc/18/22/95/562182295.db2.gz ZWVFMKKFTLZBDP-CHWSQXEVSA-N 1 0 355.460 2.444 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000376983041 558248016 /nfs/dbraw/zinc/24/80/16/558248016.db2.gz PSYKWQVOCRXDDK-IAGOWNOFSA-N 1 0 355.394 2.431 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000377273324 558303493 /nfs/dbraw/zinc/30/34/93/558303493.db2.gz MMBGGRZKDHOVQO-ZIAGYGMSSA-N 1 0 359.835 2.140 20 5 FEBDRO COc1cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000522247026 562195058 /nfs/dbraw/zinc/19/50/58/562195058.db2.gz KPXYGPOWFRATMZ-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377481875 558348347 /nfs/dbraw/zinc/34/83/47/558348347.db2.gz PMBJJAAMMMWKCR-QEJZJMRPSA-N 1 0 365.455 2.055 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000377637017 558382834 /nfs/dbraw/zinc/38/28/34/558382834.db2.gz NFYVFZSUMCULRK-AWEZNQCLSA-N 1 0 370.409 2.071 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000377639783 558383924 /nfs/dbraw/zinc/38/39/24/558383924.db2.gz FZKMXTYFTXZVJX-ZFWWWQNUSA-N 1 0 351.357 2.142 20 5 FEBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(-c2ccncc2)n1 ZINC000377690071 558397360 /nfs/dbraw/zinc/39/73/60/558397360.db2.gz CTBMKRMSKOMAEI-UHFFFAOYSA-N 1 0 352.398 2.356 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377748236 558410574 /nfs/dbraw/zinc/41/05/74/558410574.db2.gz SHBFFSVUONNFCI-HNNXBMFYSA-N 1 0 369.425 2.242 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)c3cc([N+](=O)[O-])cn3C)CCCC2)CC1 ZINC000522655819 562201095 /nfs/dbraw/zinc/20/10/95/562201095.db2.gz SOECGYCLXZRKST-UHFFFAOYSA-N 1 0 364.446 2.087 20 5 FEBDRO Nc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000378512234 558572616 /nfs/dbraw/zinc/57/26/16/558572616.db2.gz DTJURNZGBGIZTF-GDBMZVCRSA-N 1 0 358.373 2.192 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000392665844 558618530 /nfs/dbraw/zinc/61/85/30/558618530.db2.gz DMDBDNYQQOQRBH-TXEJJXNPSA-N 1 0 373.862 2.177 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000524871858 562236457 /nfs/dbraw/zinc/23/64/57/562236457.db2.gz MQJKAPPVFMKFMI-OCCSQVGLSA-N 1 0 355.460 2.397 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000411218531 558854881 /nfs/dbraw/zinc/85/48/81/558854881.db2.gz YTGYCBCRHWJQHP-AWEZNQCLSA-N 1 0 374.441 2.283 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525292204 562245338 /nfs/dbraw/zinc/24/53/38/562245338.db2.gz YXIAVUBSUJKOHP-GFCCVEGCSA-N 1 0 355.822 2.475 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000411258802 558862350 /nfs/dbraw/zinc/86/23/50/558862350.db2.gz WVYADHZFXWPCQB-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000411341577 558880135 /nfs/dbraw/zinc/88/01/35/558880135.db2.gz CTSGMZMPQFYFAD-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000411347622 558881654 /nfs/dbraw/zinc/88/16/54/558881654.db2.gz BEDUKWGOCMOTTC-UHFFFAOYSA-N 1 0 364.446 2.419 20 5 FEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000411481300 558902333 /nfs/dbraw/zinc/90/23/33/558902333.db2.gz QEJKTZNDNLHSLF-UHFFFAOYSA-N 1 0 365.386 2.007 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000411480924 558902401 /nfs/dbraw/zinc/90/24/01/558902401.db2.gz YUKHSEOMGSMJAR-MDASCCDHSA-N 1 0 373.453 2.410 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)C[NH+]2CCCC2)c1F ZINC000411513138 558908182 /nfs/dbraw/zinc/90/81/82/558908182.db2.gz UCWYEJDEGUVYFI-LBPRGKRZSA-N 1 0 353.394 2.133 20 5 FEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411971538 558997826 /nfs/dbraw/zinc/99/78/26/558997826.db2.gz UAYVZUOEEDEXQC-IBGZPJMESA-N 1 0 355.394 2.103 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412100069 559013646 /nfs/dbraw/zinc/01/36/46/559013646.db2.gz XDSXHAUBJFCUMX-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1F ZINC000412155489 559017499 /nfs/dbraw/zinc/01/74/99/559017499.db2.gz YUVZSUQTTZGSST-YHWZYXNKSA-N 1 0 365.405 2.417 20 5 FEBDRO COC(=O)[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413491720 559111873 /nfs/dbraw/zinc/11/18/73/559111873.db2.gz BOVZZWOKGZOKPG-SNVBAGLBSA-N 1 0 361.320 2.155 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413824606 559132847 /nfs/dbraw/zinc/13/28/47/559132847.db2.gz WRTGAZSPZXGPDQ-IAGOWNOFSA-N 1 0 363.458 2.127 20 5 FEBDRO Cn1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)ccc1[N+](=O)[O-] ZINC000413901717 559138662 /nfs/dbraw/zinc/13/86/62/559138662.db2.gz NKEKXZMJTZPDIB-UHFFFAOYSA-N 1 0 350.350 2.265 20 5 FEBDRO COc1cc(CN[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940993 559196088 /nfs/dbraw/zinc/19/60/88/559196088.db2.gz CGEFOKKVGKGJSM-ZYHUDNBSSA-N 1 0 359.373 2.477 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC2CCC([NH3+])CC2)c(C)c([N+](=O)[O-])c1 ZINC000415595768 559253961 /nfs/dbraw/zinc/25/39/61/559253961.db2.gz HTBQZNQWMDPBGZ-UHFFFAOYSA-N 1 0 350.375 2.081 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415657827 559258829 /nfs/dbraw/zinc/25/88/29/559258829.db2.gz MWEGUBAKNPELBX-GXFFZTMASA-N 1 0 352.391 2.228 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415702173 559263451 /nfs/dbraw/zinc/26/34/51/559263451.db2.gz PDCYRCKDUUCEKY-ZDUSSCGKSA-N 1 0 350.419 2.392 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000415768907 559269494 /nfs/dbraw/zinc/26/94/94/559269494.db2.gz WIBVKRSIPNKFGE-UHFFFAOYSA-N 1 0 350.419 2.295 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415842486 559277553 /nfs/dbraw/zinc/27/75/53/559277553.db2.gz WUKGCLFULXQBHD-NEPJUHHUSA-N 1 0 362.430 2.074 20 5 FEBDRO Cc1nn(CCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000416097778 559291934 /nfs/dbraw/zinc/29/19/34/559291934.db2.gz GCMBMJBJMAKTIH-UHFFFAOYSA-N 1 0 351.451 2.131 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416366721 559307711 /nfs/dbraw/zinc/30/77/11/559307711.db2.gz DGGWWYYGKWNTML-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416389905 559309489 /nfs/dbraw/zinc/30/94/89/559309489.db2.gz ONJXELGRROXSED-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000416547626 559321078 /nfs/dbraw/zinc/32/10/78/559321078.db2.gz AAVHLXWRBMFFPE-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417710202 559373617 /nfs/dbraw/zinc/37/36/17/559373617.db2.gz BVRFIQJREUXLGK-GOSISDBHSA-N 1 0 363.462 2.394 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712200 559373680 /nfs/dbraw/zinc/37/36/80/559373680.db2.gz FVONAJZCPIMTSH-LSDHHAIUSA-N 1 0 363.462 2.474 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418097004 559389958 /nfs/dbraw/zinc/38/99/58/559389958.db2.gz YBBUYJLXXVYCBG-TVQRCGJNSA-N 1 0 360.336 2.411 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000527279384 562283629 /nfs/dbraw/zinc/28/36/29/562283629.db2.gz ATVKSNUSRSZYJI-AWEZNQCLSA-N 1 0 370.409 2.451 20 5 FEBDRO C[NH2+]C[C@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418367594 559399304 /nfs/dbraw/zinc/39/93/04/559399304.db2.gz KVJNXNHQLREKEH-ZDUSSCGKSA-N 1 0 350.419 2.003 20 5 FEBDRO [NH3+]C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC000418371392 559399454 /nfs/dbraw/zinc/39/94/54/559399454.db2.gz XLDGBCXROHQBJI-KRWDZBQOSA-N 1 0 362.430 2.275 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000418996206 559424897 /nfs/dbraw/zinc/42/48/97/559424897.db2.gz JTRMIUSIIOORTC-STQMWFEESA-N 1 0 360.414 2.043 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420281514 559478647 /nfs/dbraw/zinc/47/86/47/559478647.db2.gz MBUNZMJBZJPHTM-CVEARBPZSA-N 1 0 373.413 2.368 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420288294 559478820 /nfs/dbraw/zinc/47/88/20/559478820.db2.gz RYVFZAQCAGJQJH-TZMCWYRMSA-N 1 0 357.414 2.489 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420331374 559480959 /nfs/dbraw/zinc/48/09/59/559480959.db2.gz BVFJTOPKTVCNPK-HNNXBMFYSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420392975 559485022 /nfs/dbraw/zinc/48/50/22/559485022.db2.gz QCHNUSZSRVMWQH-DLBZAZTESA-N 1 0 372.400 2.408 20 5 FEBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399777 559485471 /nfs/dbraw/zinc/48/54/71/559485471.db2.gz OHVTXAPJFIMBEJ-XJKSGUPXSA-N 1 0 362.430 2.006 20 5 FEBDRO CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420450429 559488109 /nfs/dbraw/zinc/48/81/09/559488109.db2.gz PKNNFZXXRVYNAE-UHFFFAOYSA-N 1 0 367.349 2.034 20 5 FEBDRO COc1cccc([C@@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000420581843 559492782 /nfs/dbraw/zinc/49/27/82/559492782.db2.gz ILMWFZXNVYELKX-MRXNPFEDSA-N 1 0 358.398 2.417 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420616492 559493996 /nfs/dbraw/zinc/49/39/96/559493996.db2.gz SBSIRWPKTSHJKW-UHFFFAOYSA-N 1 0 369.425 2.442 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000421112526 559524622 /nfs/dbraw/zinc/52/46/22/559524622.db2.gz SZNKYNFKBJILQF-ZDUSSCGKSA-N 1 0 364.402 2.248 20 5 FEBDRO COC1([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421406134 559541489 /nfs/dbraw/zinc/54/14/89/559541489.db2.gz SQDFEYFTFJCZPK-KBPBESRZSA-N 1 0 365.430 2.486 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000422239113 559573026 /nfs/dbraw/zinc/57/30/26/559573026.db2.gz SLFFSXDXECOTCP-HNNXBMFYSA-N 1 0 363.462 2.441 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000422552663 559594664 /nfs/dbraw/zinc/59/46/64/559594664.db2.gz HZGIXJUCUSKQNO-MJBXVCDLSA-N 1 0 355.460 2.206 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422556091 559594877 /nfs/dbraw/zinc/59/48/77/559594877.db2.gz RWLNKUVRKSJLEZ-SCRDCRAPSA-N 1 0 355.460 2.151 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422555498 559594894 /nfs/dbraw/zinc/59/48/94/559594894.db2.gz QDBPNNMGONRMLX-BPNCWPANSA-N 1 0 355.460 2.206 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422632228 559598994 /nfs/dbraw/zinc/59/89/94/559598994.db2.gz GLLRUQBFTNAFBP-MCIONIFRSA-N 1 0 364.446 2.237 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000422836850 559607914 /nfs/dbraw/zinc/60/79/14/559607914.db2.gz KROSZNUMJRNOCI-SNVBAGLBSA-N 1 0 357.360 2.393 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC[NH2+]1 ZINC000422836849 559608000 /nfs/dbraw/zinc/60/80/00/559608000.db2.gz KROSZNUMJRNOCI-JTQLQIEISA-N 1 0 357.360 2.393 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423852736 559642992 /nfs/dbraw/zinc/64/29/92/559642992.db2.gz TWVDVFIMHCECFC-CQSZACIVSA-N 1 0 363.805 2.299 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000423942558 559647284 /nfs/dbraw/zinc/64/72/84/559647284.db2.gz PWAHPFRXBLVXAF-ZDUSSCGKSA-N 1 0 351.403 2.249 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2c(F)cccc2c3=O)C[C@@H]1[NH3+] ZINC000423970174 559648405 /nfs/dbraw/zinc/64/84/05/559648405.db2.gz FRGZDLNKQKRANU-VFZGTOFNSA-N 1 0 357.360 2.379 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1SC ZINC000424009147 559650754 /nfs/dbraw/zinc/65/07/54/559650754.db2.gz HRKYUUYYFNKICT-GHMZBOCLSA-N 1 0 353.444 2.382 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424043077 559652410 /nfs/dbraw/zinc/65/24/10/559652410.db2.gz XZWNYTNCDKABQJ-GOEBONIOSA-N 1 0 373.384 2.456 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424050041 559652632 /nfs/dbraw/zinc/65/26/32/559652632.db2.gz AULIIZAJEHJGTO-NFAWXSAZSA-N 1 0 357.414 2.226 20 5 FEBDRO C[C@H]1CC2(CN1C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)CC[NH2+]CC2 ZINC000424246198 559659187 /nfs/dbraw/zinc/65/91/87/559659187.db2.gz VGOWSKKUCOQERZ-AWEZNQCLSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425013507 559683669 /nfs/dbraw/zinc/68/36/69/559683669.db2.gz QWFHIIRIUHJZKO-WMLDXEAASA-N 1 0 368.393 2.042 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000425273057 559694290 /nfs/dbraw/zinc/69/42/90/559694290.db2.gz AIUHYPOOPNAJEB-UHFFFAOYSA-N 1 0 361.402 2.192 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000425415050 559700971 /nfs/dbraw/zinc/70/09/71/559700971.db2.gz JGRPUJYLVYGMPL-CQSZACIVSA-N 1 0 364.446 2.408 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425430183 559702050 /nfs/dbraw/zinc/70/20/50/559702050.db2.gz DMXMRRJYNUZCKL-NWDGAFQWSA-N 1 0 372.263 2.244 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000427370474 559754250 /nfs/dbraw/zinc/75/42/50/559754250.db2.gz RZQUUVOIYBYNQA-UHFFFAOYSA-N 1 0 372.429 2.195 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427378081 559754489 /nfs/dbraw/zinc/75/44/89/559754489.db2.gz ADKHZMQCXYWLFK-GOEBONIOSA-N 1 0 371.441 2.452 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[nH]2)CC1 ZINC000428264150 559772511 /nfs/dbraw/zinc/77/25/11/559772511.db2.gz YZMYEYLVYCTMDY-UHFFFAOYSA-N 1 0 368.397 2.792 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429236841 559793534 /nfs/dbraw/zinc/79/35/34/559793534.db2.gz MSGQXQOUHDULMK-YPMHNXCESA-N 1 0 371.393 2.393 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769262 559805167 /nfs/dbraw/zinc/80/51/67/559805167.db2.gz CAEQJJGJCGLZQZ-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000429790560 559805680 /nfs/dbraw/zinc/80/56/80/559805680.db2.gz GHRYAXSINFDMSL-LBPRGKRZSA-N 1 0 360.336 2.284 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cnn1C ZINC000431673333 559843744 /nfs/dbraw/zinc/84/37/44/559843744.db2.gz NADJCKQGZPKKLU-FUHWJXTLSA-N 1 0 374.397 2.123 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1NCCCC[NH+]1CCN(CCO)CC1 ZINC000432320064 559856302 /nfs/dbraw/zinc/85/63/02/559856302.db2.gz LPALHTAQGZAMTM-UHFFFAOYSA-N 1 0 356.854 2.050 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000432462391 559859314 /nfs/dbraw/zinc/85/93/14/559859314.db2.gz SKDPPKOHBKUPRN-GDBMZVCRSA-N 1 0 370.409 2.265 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240590 559918609 /nfs/dbraw/zinc/91/86/09/559918609.db2.gz BQDPJFDOPLDIEI-CYBMUJFWSA-N 1 0 353.806 2.370 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000436512887 559943933 /nfs/dbraw/zinc/94/39/33/559943933.db2.gz STFYHUSUVOVIAW-UHFFFAOYSA-N 1 0 351.451 2.217 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000439910499 560001733 /nfs/dbraw/zinc/00/17/33/560001733.db2.gz HMJIFRVRRXVXCX-AWEZNQCLSA-N 1 0 366.418 2.226 20 5 FEBDRO Cc1cccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440507672 560012819 /nfs/dbraw/zinc/01/28/19/560012819.db2.gz UHRRULFTUDPOHS-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000440508776 560012930 /nfs/dbraw/zinc/01/29/30/560012930.db2.gz FENZCNFUJANOSM-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204897 560026259 /nfs/dbraw/zinc/02/62/59/560026259.db2.gz UMVXPCMTPPGLKV-HOTGVXAUSA-N 1 0 359.426 2.232 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442554306 560052804 /nfs/dbraw/zinc/05/28/04/560052804.db2.gz UMVKJMNMBSSMKZ-JKIFEVAISA-N 1 0 374.441 2.397 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442773687 560057190 /nfs/dbraw/zinc/05/71/90/560057190.db2.gz XVWSXVFHFHZLRW-PBWFPOADSA-N 1 0 362.430 2.147 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442976079 560064744 /nfs/dbraw/zinc/06/47/44/560064744.db2.gz LCAYUQBYHGTEQK-UHFFFAOYSA-N 1 0 363.462 2.344 20 5 FEBDRO COc1cccc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000444178278 560104342 /nfs/dbraw/zinc/10/43/42/560104342.db2.gz BOCVCAYLLKUCID-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445072681 560128088 /nfs/dbraw/zinc/12/80/88/560128088.db2.gz FTOADKDASGPQQC-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1C ZINC000445074999 560128239 /nfs/dbraw/zinc/12/82/39/560128239.db2.gz XMTGVEJLFWKPIT-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000447427680 560162162 /nfs/dbraw/zinc/16/21/62/560162162.db2.gz KPEZZVBVRDBQQX-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CS(=O)(=O)CCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447594518 560165020 /nfs/dbraw/zinc/16/50/20/560165020.db2.gz ZMCVFZFWOHLDSH-KBPBESRZSA-N 1 0 358.464 2.080 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)n1 ZINC000447732446 560168068 /nfs/dbraw/zinc/16/80/68/560168068.db2.gz WGBSLGSIIVZZNW-CYBMUJFWSA-N 1 0 359.386 2.449 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC[NH+]1CCC(O)CC1 ZINC000447816525 560169871 /nfs/dbraw/zinc/16/98/71/560169871.db2.gz LILHLPPZEZUZDH-UHFFFAOYSA-N 1 0 371.821 2.294 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000447966340 560174809 /nfs/dbraw/zinc/17/48/09/560174809.db2.gz KMBHEEBPTAJBIS-MAUKXSAKSA-N 1 0 362.382 2.493 20 5 FEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448962756 560209047 /nfs/dbraw/zinc/20/90/47/560209047.db2.gz QRQXMBXRYVMPRH-HNNXBMFYSA-N 1 0 355.398 2.294 20 5 FEBDRO Cc1cc(N2CCC[C@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449169105 560218756 /nfs/dbraw/zinc/21/87/56/560218756.db2.gz CHMHUDAHCPXAKX-CJNGLKHVSA-N 1 0 371.441 2.353 20 5 FEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449275465 560223118 /nfs/dbraw/zinc/22/31/18/560223118.db2.gz MPYNVVHKFXLLLY-FQEVSTJZSA-N 1 0 351.406 2.411 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000449316332 560225051 /nfs/dbraw/zinc/22/50/51/560225051.db2.gz MOJQIONYPKQOIS-ZXYWRSMDSA-N 1 0 371.441 2.211 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449358520 560226897 /nfs/dbraw/zinc/22/68/97/560226897.db2.gz OAMLBTJSXVKYAQ-CYBMUJFWSA-N 1 0 362.407 2.264 20 5 FEBDRO CCO[C@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492286 560232000 /nfs/dbraw/zinc/23/20/00/560232000.db2.gz BRCFATAJAAWSPI-BBRMVZONSA-N 1 0 366.414 2.394 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449634431 560235179 /nfs/dbraw/zinc/23/51/79/560235179.db2.gz AIDGZONSHSEXLN-RYUDHWBXSA-N 1 0 351.403 2.249 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000449638587 560235248 /nfs/dbraw/zinc/23/52/48/560235248.db2.gz LFWINVQSDXAMLM-VXGBXAGGSA-N 1 0 351.403 2.249 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449903688 560244889 /nfs/dbraw/zinc/24/48/89/560244889.db2.gz OHVWEPIEGCMPRQ-CYBMUJFWSA-N 1 0 357.414 2.399 20 5 FEBDRO Cc1nc(NCCc2ccc(OCC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000450427760 560261951 /nfs/dbraw/zinc/26/19/51/560261951.db2.gz ZUPOVHFPYPBRJE-UHFFFAOYSA-N 1 0 371.441 2.822 20 5 FEBDRO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450547766 560265719 /nfs/dbraw/zinc/26/57/19/560265719.db2.gz PCIXQFSVWBHKIB-MRXNPFEDSA-N 1 0 374.485 2.348 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000451305780 560299251 /nfs/dbraw/zinc/29/92/51/560299251.db2.gz WPKGEFUHCVOIJP-FVQBIDKESA-N 1 0 374.397 2.007 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451357817 560302390 /nfs/dbraw/zinc/30/23/90/560302390.db2.gz ZAINKDGLENSPAD-HPFXQQBRSA-N 1 0 364.442 2.350 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451483938 560309684 /nfs/dbraw/zinc/30/96/84/560309684.db2.gz YVRPRORTBARDDR-JCURWCKSSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000451486736 560309931 /nfs/dbraw/zinc/30/99/31/560309931.db2.gz DSVISAKPLHDAQE-GJZGRUSLSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496059 560310384 /nfs/dbraw/zinc/31/03/84/560310384.db2.gz LQQKMDJKLLGMHE-LSDHHAIUSA-N 1 0 351.403 2.335 20 5 FEBDRO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548014 560313905 /nfs/dbraw/zinc/31/39/05/560313905.db2.gz LYOSBYOHTZSULR-AEFFLSMTSA-N 1 0 374.485 2.327 20 5 FEBDRO CO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826203 560331048 /nfs/dbraw/zinc/33/10/48/560331048.db2.gz FENYPTNHAAPOGG-HYVNUMGLSA-N 1 0 350.415 2.224 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000451885307 560334671 /nfs/dbraw/zinc/33/46/71/560334671.db2.gz FDZVDTOFVRGHEG-VXGBXAGGSA-N 1 0 361.402 2.498 20 5 FEBDRO CCn1cc([C@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000451890968 560335033 /nfs/dbraw/zinc/33/50/33/560335033.db2.gz RMCWJKSINYPTEL-LBPRGKRZSA-N 1 0 359.386 2.460 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452369904 560360670 /nfs/dbraw/zinc/36/06/70/560360670.db2.gz FFBXEZAODAWLEF-FUHWJXTLSA-N 1 0 363.458 2.127 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389493 560362865 /nfs/dbraw/zinc/36/28/65/560362865.db2.gz MAOLWHJVCIQDEX-UKRRQHHQSA-N 1 0 367.471 2.038 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)C2CCCC2)cc1 ZINC000453078424 560382914 /nfs/dbraw/zinc/38/29/14/560382914.db2.gz GCCMBHMCEYXXSI-KRWDZBQOSA-N 1 0 367.471 2.432 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453582064 560389588 /nfs/dbraw/zinc/38/95/88/560389588.db2.gz NHAUBJFIPJNWRG-AWEZNQCLSA-N 1 0 366.414 2.441 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454071371 560426693 /nfs/dbraw/zinc/42/66/93/560426693.db2.gz QZCMWMMZMBEQIK-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455465314 560483399 /nfs/dbraw/zinc/48/33/99/560483399.db2.gz OTDVMDJUMJENLP-OAHLLOKOSA-N 1 0 350.419 2.126 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455603019 560488822 /nfs/dbraw/zinc/48/88/22/560488822.db2.gz OBYPCSSMDXJJTC-CYBMUJFWSA-N 1 0 357.414 2.282 20 5 FEBDRO CNc1nc(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000455885941 560499139 /nfs/dbraw/zinc/49/91/39/560499139.db2.gz HTQPZOUSAAZPNJ-UHFFFAOYSA-N 1 0 363.443 2.297 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456360502 560517211 /nfs/dbraw/zinc/51/72/11/560517211.db2.gz VJGDWZUURKNLAG-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2n1[C@@H](C)CO ZINC000456693899 560529344 /nfs/dbraw/zinc/52/93/44/560529344.db2.gz BIEXBRYSZSAJKG-JTQLQIEISA-N 1 0 357.370 2.397 20 5 FEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000459385898 560683801 /nfs/dbraw/zinc/68/38/01/560683801.db2.gz HAPBMCNPECTWJC-UHFFFAOYSA-N 1 0 365.386 2.007 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CCSCC1 ZINC000459697929 560702984 /nfs/dbraw/zinc/70/29/84/560702984.db2.gz NCMUVWPGSWJORK-UHFFFAOYSA-N 1 0 353.444 2.080 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459759021 560706636 /nfs/dbraw/zinc/70/66/36/560706636.db2.gz LQZTVLDDISSALK-XZJROXQQSA-N 1 0 363.414 2.478 20 5 FEBDRO NC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000459763384 560706821 /nfs/dbraw/zinc/70/68/21/560706821.db2.gz CIXMMPYSMHZPLI-UHFFFAOYSA-N 1 0 359.426 2.243 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797650 560708999 /nfs/dbraw/zinc/70/89/99/560708999.db2.gz SGFYOZHJIMVHDD-SOLBZPMBSA-N 1 0 364.442 2.208 20 5 FEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000460118288 560735478 /nfs/dbraw/zinc/73/54/78/560735478.db2.gz USGUMMBGFCPCQG-UHFFFAOYSA-N 1 0 360.345 2.147 20 5 FEBDRO CCCN(CC[NH+](CC)CC)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000460929716 560756151 /nfs/dbraw/zinc/75/61/51/560756151.db2.gz FMIVCCBKWOELQM-UHFFFAOYSA-N 1 0 372.491 2.061 20 5 FEBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000461903963 560787296 /nfs/dbraw/zinc/78/72/96/560787296.db2.gz WONKRGFIMKKMDK-LLVKDONJSA-N 1 0 368.242 2.259 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000461613410 560776773 /nfs/dbraw/zinc/77/67/73/560776773.db2.gz LXECYLCOFZVLPI-CYBMUJFWSA-N 1 0 374.445 2.334 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000463741919 560822815 /nfs/dbraw/zinc/82/28/15/560822815.db2.gz QOIJOQJWUHIWGA-RDBSUJKOSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000464775279 560850711 /nfs/dbraw/zinc/85/07/11/560850711.db2.gz RHAYYYNCQVYICP-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000467989110 560920798 /nfs/dbraw/zinc/92/07/98/560920798.db2.gz CHZNVOCYLJLMFL-ZDUSSCGKSA-N 1 0 363.439 2.396 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000470133314 560975118 /nfs/dbraw/zinc/97/51/18/560975118.db2.gz AXNQWQPTIVRKIK-CVEARBPZSA-N 1 0 366.393 2.233 20 5 FEBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000470355151 560979280 /nfs/dbraw/zinc/97/92/80/560979280.db2.gz UHNIVWWFHJHQJM-UHFFFAOYSA-N 1 0 352.394 2.160 20 5 FEBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470823001 560990958 /nfs/dbraw/zinc/99/09/58/560990958.db2.gz WEMABKJWKNEJEU-RDJZCZTQSA-N 1 0 359.405 2.429 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000472675264 561032667 /nfs/dbraw/zinc/03/26/67/561032667.db2.gz AZXZMBHVRPZNHN-UHFFFAOYSA-N 1 0 361.423 2.408 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000474348081 561071867 /nfs/dbraw/zinc/07/18/67/561071867.db2.gz SZENVEFOVPSSNE-CQSZACIVSA-N 1 0 374.397 2.047 20 5 FEBDRO COC(=O)COc1ccc(CNCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000474360083 561072156 /nfs/dbraw/zinc/07/21/56/561072156.db2.gz YWVCOBCLQXXBRD-UHFFFAOYSA-N 1 0 365.430 2.112 20 5 FEBDRO COc1c(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cccc1[N+](=O)[O-] ZINC000475752359 561104314 /nfs/dbraw/zinc/10/43/14/561104314.db2.gz CKBXZMUUNAXIDA-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000476610214 561124185 /nfs/dbraw/zinc/12/41/85/561124185.db2.gz MEZYRTBXHMDELX-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000530829292 562425598 /nfs/dbraw/zinc/42/55/98/562425598.db2.gz JFJISKYKAKTIIF-HNNXBMFYSA-N 1 0 365.821 2.254 20 5 FEBDRO CN1CCN(c2cc[nH+]cc2NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000531024798 562432320 /nfs/dbraw/zinc/43/23/20/562432320.db2.gz HTQMMYVNRQKOGX-UHFFFAOYSA-N 1 0 369.425 2.313 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531189949 562437715 /nfs/dbraw/zinc/43/77/15/562437715.db2.gz DCCYBTIRQPFSPX-UONOGXRCSA-N 1 0 370.475 2.169 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000532342387 562474717 /nfs/dbraw/zinc/47/47/17/562474717.db2.gz DFLCHABKCIHIFH-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533865471 562520089 /nfs/dbraw/zinc/52/00/89/562520089.db2.gz OBLQZOKKWOLNNM-CQSZACIVSA-N 1 0 357.414 2.455 20 5 FEBDRO CS[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000534827447 562543252 /nfs/dbraw/zinc/54/32/52/562543252.db2.gz LQMVHANPGMFOEJ-CVEARBPZSA-N 1 0 366.487 2.291 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534962365 562546297 /nfs/dbraw/zinc/54/62/97/562546297.db2.gz CIKWETADQHXJOI-UHFFFAOYSA-N 1 0 360.414 2.307 20 5 FEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315582 562555789 /nfs/dbraw/zinc/55/57/89/562555789.db2.gz YGVUHRHGQJVTEY-ZDUSSCGKSA-N 1 0 354.370 2.368 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000536509284 562577297 /nfs/dbraw/zinc/57/72/97/562577297.db2.gz PPSTUXYJFJDVLG-BETUJISGSA-N 1 0 360.414 2.305 20 5 FEBDRO C[N@H+](CCCn1ccnc1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000537043002 562584582 /nfs/dbraw/zinc/58/45/82/562584582.db2.gz PCJVHNWCWFKOPL-UHFFFAOYSA-N 1 0 359.386 2.111 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000540928410 562597289 /nfs/dbraw/zinc/59/72/89/562597289.db2.gz HRUQOVDWJVEWQG-UHFFFAOYSA-N 1 0 369.425 2.177 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000541623919 562616850 /nfs/dbraw/zinc/61/68/50/562616850.db2.gz FOZPELADADQXIT-UHFFFAOYSA-N 1 0 361.490 2.461 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000541648012 562617226 /nfs/dbraw/zinc/61/72/26/562617226.db2.gz IGQINYGJQDJZCR-CHWSQXEVSA-N 1 0 351.403 2.337 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000545457386 562627528 /nfs/dbraw/zinc/62/75/28/562627528.db2.gz DEMGJGZVSXTEIR-VBNZEHGJSA-N 1 0 351.403 2.096 20 5 FEBDRO CN(CCC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc[nH+]cc1 ZINC000541856396 568021607 /nfs/dbraw/zinc/02/16/07/568021607.db2.gz WJDZMWCRHUPYBN-UHFFFAOYSA-N 1 0 369.425 2.165 20 5 FEBDRO [NH3+]Cc1ccc(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000569119115 568275309 /nfs/dbraw/zinc/27/53/09/568275309.db2.gz YXHSHLMLCFNELA-UHFFFAOYSA-N 1 0 369.425 2.085 20 5 FEBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000584714544 568372361 /nfs/dbraw/zinc/37/23/61/568372361.db2.gz GMZXQRRJCGHVIW-LLVKDONJSA-N 1 0 373.862 2.401 20 5 FEBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)n1 ZINC000569844483 568427031 /nfs/dbraw/zinc/42/70/31/568427031.db2.gz CEGDXHNGAALWPZ-LLVKDONJSA-N 1 0 373.369 2.344 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(C(F)(F)F)CC2)cc1 ZINC000570274156 568472167 /nfs/dbraw/zinc/47/21/67/568472167.db2.gz FBIATMZVFIRMRI-UHFFFAOYSA-N 1 0 352.334 2.301 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000570553880 568486663 /nfs/dbraw/zinc/48/66/63/568486663.db2.gz RZDMMEBMYFELNX-CYBMUJFWSA-N 1 0 374.397 2.399 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)COCc3cccs3)nc2c1 ZINC000570837452 568543717 /nfs/dbraw/zinc/54/37/17/568543717.db2.gz XZMSYUPVCVGYPM-LBPRGKRZSA-N 1 0 362.411 2.200 20 5 FEBDRO CN(C)C1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000556622063 674409137 /nfs/dbraw/zinc/40/91/37/674409137.db2.gz OAHYTEROWYIRQN-INIZCTEOSA-N 1 0 351.447 2.189 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823652214 599224642 /nfs/dbraw/zinc/22/46/42/599224642.db2.gz WTXVXTKAFSTVJY-ZDUSSCGKSA-N 1 0 370.373 2.012 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924211 674428212 /nfs/dbraw/zinc/42/82/12/674428212.db2.gz IGUKKIWPVIXSLG-KGLIPLIRSA-N 1 0 355.460 2.368 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557561996 674454134 /nfs/dbraw/zinc/45/41/34/674454134.db2.gz BJJWTEWJUDZHRG-ZDUSSCGKSA-N 1 0 351.403 2.213 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000809814391 674511695 /nfs/dbraw/zinc/51/16/95/674511695.db2.gz KADQMELTTJNLFZ-QMMMGPOBSA-N 1 0 365.814 2.148 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809861309 674517929 /nfs/dbraw/zinc/51/79/29/674517929.db2.gz YWICKBNYMHNGBX-VIFPVBQESA-N 1 0 367.830 2.394 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000810119913 674533545 /nfs/dbraw/zinc/53/35/45/674533545.db2.gz GJXMNWBPOMEFHK-LBPRGKRZSA-N 1 0 361.439 2.441 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824562627 608468428 /nfs/dbraw/zinc/46/84/28/608468428.db2.gz HSLDQKNNKPUYJF-NSHDSACASA-N 1 0 367.369 2.064 20 5 FEBDRO COc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851661 674565186 /nfs/dbraw/zinc/56/51/86/674565186.db2.gz MWCZTECTYFJOFJ-VXGBXAGGSA-N 1 0 350.371 2.396 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560583255 674600833 /nfs/dbraw/zinc/60/08/33/674600833.db2.gz WPDOVEBFVSBXIL-UKRRQHHQSA-N 1 0 355.460 2.368 20 5 FEBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000562237094 674731699 /nfs/dbraw/zinc/73/16/99/674731699.db2.gz SIKMMQZQTYAHID-UHFFFAOYSA-N 1 0 373.500 2.238 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000562254232 674733662 /nfs/dbraw/zinc/73/36/62/674733662.db2.gz CKCBQORYHHWTCC-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000563435786 674887255 /nfs/dbraw/zinc/88/72/55/674887255.db2.gz CCUFICDZGYRSSP-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000564205235 674983990 /nfs/dbraw/zinc/98/39/90/674983990.db2.gz XSRXAYBVBVMKAZ-AWEZNQCLSA-N 1 0 363.805 2.119 20 5 FEBDRO O=C(C[NH+]1CCCC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007340269 669967641 /nfs/dbraw/zinc/96/76/41/669967641.db2.gz OJLPZKPDLPRCSM-UHFFFAOYSA-N 1 0 360.336 2.238 20 5 FEBDRO Cc1csc([C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000564873705 675070908 /nfs/dbraw/zinc/07/09/08/675070908.db2.gz RCKBMGKJPCZWMK-FZMZJTMJSA-N 1 0 351.428 2.493 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000817151528 675106197 /nfs/dbraw/zinc/10/61/97/675106197.db2.gz SUXNJAGXCMDVFA-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC000565593610 675135012 /nfs/dbraw/zinc/13/50/12/675135012.db2.gz BMJJGWDORZYVFF-CQSZACIVSA-N 1 0 350.346 2.142 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113198630 670881397 /nfs/dbraw/zinc/88/13/97/670881397.db2.gz LATLECNAOVBVBR-CYBMUJFWSA-N 1 0 350.375 2.497 20 5 FEBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@@H+]1C ZINC000572014622 670951697 /nfs/dbraw/zinc/95/16/97/670951697.db2.gz CVXYXIRIYZXYJY-OLZOCXBDSA-N 1 0 352.410 2.465 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000572227030 670975507 /nfs/dbraw/zinc/97/55/07/670975507.db2.gz CWXZNUZIVZOZBH-LBPRGKRZSA-N 1 0 362.283 2.100 20 5 FEBDRO [NH3+]CCCOC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000572364829 670993001 /nfs/dbraw/zinc/99/30/01/670993001.db2.gz XLZSTIJJDKYCIA-UHFFFAOYSA-N 1 0 370.837 2.017 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000573742928 671159629 /nfs/dbraw/zinc/15/96/29/671159629.db2.gz AQGRYZIVEGSTAS-BPNCWPANSA-N 1 0 355.460 2.206 20 5 FEBDRO CC[C@@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573965652 671186813 /nfs/dbraw/zinc/18/68/13/671186813.db2.gz YZZHVZKKAWISNY-LBPRGKRZSA-N 1 0 364.183 2.450 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000574352913 671229551 /nfs/dbraw/zinc/22/95/51/671229551.db2.gz QBYLTJPXZKWULJ-HNNXBMFYSA-N 1 0 370.475 2.035 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000574846717 671280912 /nfs/dbraw/zinc/28/09/12/671280912.db2.gz RRIBFLDMOKYPLI-UHFFFAOYSA-N 1 0 355.441 2.025 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000575097277 671298177 /nfs/dbraw/zinc/29/81/77/671298177.db2.gz CKUSQCCFINYMQA-NXEZZACHSA-N 1 0 354.204 2.039 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000575401319 671312114 /nfs/dbraw/zinc/31/21/14/671312114.db2.gz SMSOADXCGJSGAX-JKSUJKDBSA-N 1 0 367.471 2.452 20 5 FEBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000575459964 671313940 /nfs/dbraw/zinc/31/39/40/671313940.db2.gz IGMSUDYYPHUEDB-UHFFFAOYSA-N 1 0 351.451 2.294 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609557032 675926029 /nfs/dbraw/zinc/92/60/29/675926029.db2.gz MHZZBNJZDQTZJN-AWEZNQCLSA-N 1 0 350.419 2.275 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000578084227 671639401 /nfs/dbraw/zinc/63/94/01/671639401.db2.gz STFZXOVLUQHTCN-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1OC ZINC000578231672 671650509 /nfs/dbraw/zinc/65/05/09/671650509.db2.gz YKYPNQMKKWFGFL-QGZVFWFLSA-N 1 0 353.419 2.495 20 5 FEBDRO C[N@H+](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCSC1 ZINC000578288780 671654132 /nfs/dbraw/zinc/65/41/32/671654132.db2.gz OJQDHWCLUSUIIL-CQSZACIVSA-N 1 0 362.455 2.172 20 5 FEBDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578759943 671687994 /nfs/dbraw/zinc/68/79/94/671687994.db2.gz PZYRWPDDAIQMCB-XZJROXQQSA-N 1 0 368.821 2.171 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000579562610 671744953 /nfs/dbraw/zinc/74/49/53/671744953.db2.gz XJNQHARWMVIJQM-AWEZNQCLSA-N 1 0 350.419 2.099 20 5 FEBDRO CSC1(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000580746320 671829168 /nfs/dbraw/zinc/82/91/68/671829168.db2.gz MXLNTXYOKRIVET-UHFFFAOYSA-N 1 0 373.500 2.049 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610024476 675947619 /nfs/dbraw/zinc/94/76/19/675947619.db2.gz PIDKABQDJIEYCJ-LBPRGKRZSA-N 1 0 350.419 2.133 20 5 FEBDRO CC[C@H](CSc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581127473 671866307 /nfs/dbraw/zinc/86/63/07/671866307.db2.gz VDZKGSKHEGCWPG-UKRRQHHQSA-N 1 0 350.444 2.313 20 5 FEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119496472 671901104 /nfs/dbraw/zinc/90/11/04/671901104.db2.gz JQZVKWUYZZXUNJ-UHFFFAOYSA-N 1 0 355.441 2.196 20 5 FEBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000581483693 671901897 /nfs/dbraw/zinc/90/18/97/671901897.db2.gz DLIOIQKBHUHXTQ-ZDUSSCGKSA-N 1 0 369.219 2.013 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000119736580 671907092 /nfs/dbraw/zinc/90/70/92/671907092.db2.gz ANQSTRJEHWBXON-GFCCVEGCSA-N 1 0 359.473 2.295 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000581617286 671918605 /nfs/dbraw/zinc/91/86/05/671918605.db2.gz NVEPSZJYZPQYOY-CQSZACIVSA-N 1 0 351.447 2.081 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133823 675955858 /nfs/dbraw/zinc/95/58/58/675955858.db2.gz IJFRZMMUTRRQSZ-USXIJHARSA-N 1 0 352.431 2.470 20 5 FEBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000583435458 672094542 /nfs/dbraw/zinc/09/45/42/672094542.db2.gz FERVWUWLYFWNAA-OAGGEKHMSA-N 1 0 351.447 2.045 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132369569 672097275 /nfs/dbraw/zinc/09/72/75/672097275.db2.gz ZFKFEPSOLITMRV-GFCCVEGCSA-N 1 0 350.375 2.334 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653413 672125534 /nfs/dbraw/zinc/12/55/34/672125534.db2.gz LIXZVSXMCVDYTL-QWHCGFSZSA-N 1 0 353.423 2.169 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000584004426 672146871 /nfs/dbraw/zinc/14/68/71/672146871.db2.gz KUHXOEWBIQYOJG-UHFFFAOYSA-N 1 0 353.444 2.049 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000584157703 672161194 /nfs/dbraw/zinc/16/11/94/672161194.db2.gz MYGHMDKGYCUUPI-UHFFFAOYSA-N 1 0 350.350 2.265 20 5 FEBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c[nH]nc3[N+](=O)[O-])C2)s1 ZINC000584355577 672180045 /nfs/dbraw/zinc/18/00/45/672180045.db2.gz CBODTCBOCSDTNV-LBPRGKRZSA-N 1 0 363.443 2.282 20 5 FEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000584782540 672215570 /nfs/dbraw/zinc/21/55/70/672215570.db2.gz PEUOHMNTTTXNMX-WPRPVWTQSA-N 1 0 367.349 2.032 20 5 FEBDRO CCOc1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793065 672216575 /nfs/dbraw/zinc/21/65/75/672216575.db2.gz BHCRDXGLDSDELE-QZTJIDSGSA-N 1 0 350.415 2.403 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610719346 675991586 /nfs/dbraw/zinc/99/15/86/675991586.db2.gz GQEJCKIBXJRAPU-CQSZACIVSA-N 1 0 350.419 2.277 20 5 FEBDRO CC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000162764594 672306069 /nfs/dbraw/zinc/30/60/69/672306069.db2.gz QFVGCFMCMZVJID-UHFFFAOYSA-N 1 0 356.220 2.458 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171933480 672337539 /nfs/dbraw/zinc/33/75/39/672337539.db2.gz LBEQNYWXHRSVOX-KRWDZBQOSA-N 1 0 350.438 2.336 20 5 FEBDRO CN1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2c[nH+]ccc21 ZINC000176975219 672378558 /nfs/dbraw/zinc/37/85/58/672378558.db2.gz ACEREYJEKPSWNN-UHFFFAOYSA-N 1 0 368.802 2.288 20 5 FEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000178932615 672397129 /nfs/dbraw/zinc/39/71/29/672397129.db2.gz PYUYWLVSEFWWLG-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CC[N@H+](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC(F)(F)F ZINC000588032624 672446083 /nfs/dbraw/zinc/44/60/83/672446083.db2.gz ATPGWHSDPRGXFN-UHFFFAOYSA-N 1 0 350.341 2.356 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590047169 672556636 /nfs/dbraw/zinc/55/66/36/672556636.db2.gz WMXXTIWTSWJSFI-WFASDCNBSA-N 1 0 358.423 2.494 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590047167 672556647 /nfs/dbraw/zinc/55/66/47/672556647.db2.gz WMXXTIWTSWJSFI-IUODEOHRSA-N 1 0 358.423 2.494 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000590165338 672562885 /nfs/dbraw/zinc/56/28/85/672562885.db2.gz GPBRCHMGSRXMIG-HNNXBMFYSA-N 1 0 373.862 2.355 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1SC ZINC000590445414 672583280 /nfs/dbraw/zinc/58/32/80/672583280.db2.gz LWHLAYJGNFOGCJ-GWCFXTLKSA-N 1 0 351.428 2.101 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562501 672589854 /nfs/dbraw/zinc/58/98/54/672589854.db2.gz LYRXXSPLDLMLFG-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590589138 672593175 /nfs/dbraw/zinc/59/31/75/672593175.db2.gz MDOYPANPZNEPBM-GXFFZTMASA-N 1 0 361.851 2.270 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591279337 672664597 /nfs/dbraw/zinc/66/45/97/672664597.db2.gz FACVGQPUBVQWTP-CABZTGNLSA-N 1 0 356.329 2.412 20 5 FEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591686201 672701738 /nfs/dbraw/zinc/70/17/38/672701738.db2.gz SDHWHPVQEZQQKC-GFCCVEGCSA-N 1 0 354.204 2.229 20 5 FEBDRO CSC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132246 672762345 /nfs/dbraw/zinc/76/23/45/672762345.db2.gz DRYOJWLNKDHDMA-BZUAXINKSA-N 1 0 354.472 2.424 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592242916 672776207 /nfs/dbraw/zinc/77/62/07/672776207.db2.gz AOMMCTDIABUYLC-SKDRFNHKSA-N 1 0 354.204 2.181 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592374504 672794110 /nfs/dbraw/zinc/79/41/10/672794110.db2.gz JWECRJVIXNOJAD-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000592477609 672807295 /nfs/dbraw/zinc/80/72/95/672807295.db2.gz DROKDYZPHOZERE-UHFFFAOYSA-N 1 0 366.487 2.194 20 5 FEBDRO [NH3+][C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(Cl)c1 ZINC000592563325 672814835 /nfs/dbraw/zinc/81/48/35/672814835.db2.gz VMMGJJPXYQCPCV-OAHLLOKOSA-N 1 0 363.805 2.308 20 5 FEBDRO CSC1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000593162232 672885404 /nfs/dbraw/zinc/88/54/04/672885404.db2.gz NWSFOPIDOHYSJL-UHFFFAOYSA-N 1 0 355.435 2.220 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000593667114 672974680 /nfs/dbraw/zinc/97/46/80/672974680.db2.gz TXPDNPYZRJDJFF-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO CCO[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593917067 673008104 /nfs/dbraw/zinc/00/81/04/673008104.db2.gz UXGBVONEFWHCFI-ZWNOBZJWSA-N 1 0 373.862 2.163 20 5 FEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594039565 673024690 /nfs/dbraw/zinc/02/46/90/673024690.db2.gz AFJSPNAMYFLNRY-HZPDHXFCSA-N 1 0 356.444 2.306 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594483701 673087590 /nfs/dbraw/zinc/08/75/90/673087590.db2.gz NZTDJNVTORWAFA-GOEBONIOSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594485071 673089345 /nfs/dbraw/zinc/08/93/45/673089345.db2.gz VQNQBPULZLHRPK-WBVHZDCISA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000594525248 673095109 /nfs/dbraw/zinc/09/51/09/673095109.db2.gz UCIIIIRCRIJVAS-MLGOLLRUSA-N 1 0 365.455 2.128 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749794 673128392 /nfs/dbraw/zinc/12/83/92/673128392.db2.gz ZEUBMYLUUAEBLO-ZIAGYGMSSA-N 1 0 370.475 2.026 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594793917 673145218 /nfs/dbraw/zinc/14/52/18/673145218.db2.gz WKUOSIPLJZBBEC-CYBMUJFWSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000594800032 673146967 /nfs/dbraw/zinc/14/69/67/673146967.db2.gz BBKNYBOBRBDYIJ-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000594854580 673165420 /nfs/dbraw/zinc/16/54/20/673165420.db2.gz RJPBNODOUNXTQJ-OAHLLOKOSA-N 1 0 367.471 2.421 20 5 FEBDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000595017407 673186807 /nfs/dbraw/zinc/18/68/07/673186807.db2.gz VEKRFMMKOUTZMZ-PMPSAXMXSA-N 1 0 367.471 2.287 20 5 FEBDRO C[C@@H](CSCCF)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595034507 673188122 /nfs/dbraw/zinc/18/81/22/673188122.db2.gz WHUHAZAEOZVFMV-NSHDSACASA-N 1 0 350.437 2.049 20 5 FEBDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000595101850 673193110 /nfs/dbraw/zinc/19/31/10/673193110.db2.gz HHRFKLJBELRKTE-OAHLLOKOSA-N 1 0 364.427 2.092 20 5 FEBDRO CN(CC(C)(C)[NH3+])S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000595115205 673195810 /nfs/dbraw/zinc/19/58/10/673195810.db2.gz BXLWXNXZPIHZKK-UHFFFAOYSA-N 1 0 356.231 2.259 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000595116729 673196188 /nfs/dbraw/zinc/19/61/88/673196188.db2.gz ZSBJJIRUGRGFQP-LBPRGKRZSA-N 1 0 359.473 2.057 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595116564 673196214 /nfs/dbraw/zinc/19/62/14/673196214.db2.gz SKXCQYISUHSPGD-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000595411497 673246069 /nfs/dbraw/zinc/24/60/69/673246069.db2.gz RJQPNTKTTZMHKI-INIZCTEOSA-N 1 0 367.471 2.136 20 5 FEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779965 673324644 /nfs/dbraw/zinc/32/46/44/673324644.db2.gz HBEGXAJSWHZFBL-FZZIBODNSA-N 1 0 353.806 2.468 20 5 FEBDRO CCOC(=O)CC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000595873517 673332726 /nfs/dbraw/zinc/33/27/26/673332726.db2.gz BSIIHYXZNVAZIB-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO COc1cc(C(=O)NCC2([NH3+])CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000595940521 673342237 /nfs/dbraw/zinc/34/22/37/673342237.db2.gz FTYYQWFYFHEQJG-UHFFFAOYSA-N 1 0 359.329 2.206 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)C[NH+](C)C ZINC000596054836 673354417 /nfs/dbraw/zinc/35/44/17/673354417.db2.gz HXNWVUQGIPNEAV-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCCCCC1 ZINC000596059347 673354572 /nfs/dbraw/zinc/35/45/72/673354572.db2.gz YGAJREQAZUHHTM-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596078672 673356623 /nfs/dbraw/zinc/35/66/23/673356623.db2.gz XSLXLJKTRWPSQA-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C1CC1)[NH+](C)C ZINC000596115884 673360347 /nfs/dbraw/zinc/36/03/47/673360347.db2.gz XOSKEVGSKAIXEW-HNNXBMFYSA-N 1 0 370.475 2.035 20 5 FEBDRO CC[NH+]1CCC(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000732567293 673372215 /nfs/dbraw/zinc/37/22/15/673372215.db2.gz HXDDRVPAEAXLIZ-UHFFFAOYSA-N 1 0 352.391 2.448 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596259338 673372371 /nfs/dbraw/zinc/37/23/71/673372371.db2.gz QVGKGNZIBOVYTH-LLVKDONJSA-N 1 0 371.821 2.294 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596371569 673380095 /nfs/dbraw/zinc/38/00/95/673380095.db2.gz XRFPRXQILCQZCA-AWEZNQCLSA-N 1 0 351.451 2.345 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000538420664 673439388 /nfs/dbraw/zinc/43/93/88/673439388.db2.gz RNCRWVZJCWGHRV-GFCCVEGCSA-N 1 0 350.371 2.146 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597191775 673455634 /nfs/dbraw/zinc/45/56/34/673455634.db2.gz GYXURAKNSQADOV-JTQLQIEISA-N 1 0 360.357 2.498 20 5 FEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000540021653 673519872 /nfs/dbraw/zinc/51/98/72/673519872.db2.gz VGPOVCREMNAHTG-QWRGUYRKSA-N 1 0 370.247 2.451 20 5 FEBDRO CC1(C)CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540142856 673525742 /nfs/dbraw/zinc/52/57/42/673525742.db2.gz ABAOLDWYJXXESS-OAHLLOKOSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000598000961 673528946 /nfs/dbraw/zinc/52/89/46/673528946.db2.gz WIOSAALFQGCKDW-GFCCVEGCSA-N 1 0 355.460 2.293 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613932 673590607 /nfs/dbraw/zinc/59/06/07/673590607.db2.gz ZVTCWBCAYFIKEG-TZMCWYRMSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598669981 673596752 /nfs/dbraw/zinc/59/67/52/673596752.db2.gz PDKXFIADSUISJL-USBNGQNGSA-N 1 0 353.806 2.355 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598670581 673596773 /nfs/dbraw/zinc/59/67/73/673596773.db2.gz VEPCTLNFHAYORO-BZNIZROVSA-N 1 0 353.806 2.357 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000598715384 673602592 /nfs/dbraw/zinc/60/25/92/673602592.db2.gz PKNDKDYTKBDAKZ-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598715279 673602602 /nfs/dbraw/zinc/60/26/02/673602602.db2.gz NXSXHNVIACRXPN-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598716116 673602825 /nfs/dbraw/zinc/60/28/25/673602825.db2.gz XNCBQXYIJJTZPS-SCRDCRAPSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598717134 673602834 /nfs/dbraw/zinc/60/28/34/673602834.db2.gz YEBITZHIWOKDKA-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c(C)c1[N+](=O)[O-] ZINC000598721576 673603384 /nfs/dbraw/zinc/60/33/84/673603384.db2.gz XLSRHRQLDQJBBW-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCN1CC(F)F)OCCO2 ZINC000598987295 673626498 /nfs/dbraw/zinc/62/64/98/673626498.db2.gz KGIGFSJFDYCTLM-GFCCVEGCSA-N 1 0 357.357 2.185 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1OC ZINC000598986872 673626527 /nfs/dbraw/zinc/62/65/27/673626527.db2.gz GAIIKTJIMCFUHZ-GFCCVEGCSA-N 1 0 359.373 2.431 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000599111346 673634037 /nfs/dbraw/zinc/63/40/37/673634037.db2.gz OQENPXFIWWULML-GASCZTMLSA-N 1 0 373.862 2.177 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000740840723 673656752 /nfs/dbraw/zinc/65/67/52/673656752.db2.gz CTLYEWVKKAJVNG-QWHCGFSZSA-N 1 0 353.394 2.444 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000543673814 673660650 /nfs/dbraw/zinc/66/06/50/673660650.db2.gz CKAWZXDZKWEBEF-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626125 673699200 /nfs/dbraw/zinc/69/92/00/673699200.db2.gz UISXUJPADZQSIN-UWCDFFNFSA-N 1 0 351.403 2.334 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007476 673733742 /nfs/dbraw/zinc/73/37/42/673733742.db2.gz UGFYJOWIKHDKEO-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000545293196 673757059 /nfs/dbraw/zinc/75/70/59/673757059.db2.gz RPPQYHZUGGKNMX-UHFFFAOYSA-N 1 0 351.794 2.445 20 5 FEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000600691424 673792263 /nfs/dbraw/zinc/79/22/63/673792263.db2.gz QDYPXWGBUGENLT-JTQLQIEISA-N 1 0 361.320 2.360 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])s1 ZINC000601337635 673844525 /nfs/dbraw/zinc/84/45/25/673844525.db2.gz GDSXLZVKEGDPOU-VXGBXAGGSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601342213 673845136 /nfs/dbraw/zinc/84/51/36/673845136.db2.gz TZVCOVACEKRASQ-TZMCWYRMSA-N 1 0 371.434 2.195 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601357003 673847523 /nfs/dbraw/zinc/84/75/23/673847523.db2.gz YDGBTXWOPKGLJI-JSGCOSHPSA-N 1 0 373.450 2.393 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358567 673847988 /nfs/dbraw/zinc/84/79/88/673847988.db2.gz LRXKKBLFUNBWHY-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000601377559 673851609 /nfs/dbraw/zinc/85/16/09/673851609.db2.gz CDEQTCWFRPKEGC-CYBMUJFWSA-N 1 0 373.500 2.317 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000601427546 673860311 /nfs/dbraw/zinc/86/03/11/673860311.db2.gz COWAQHJDQGPLRP-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCC1 ZINC000746231251 673868071 /nfs/dbraw/zinc/86/80/71/673868071.db2.gz JGUSNEZGIOHDIL-UHFFFAOYSA-N 1 0 353.394 2.493 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000547715993 673883348 /nfs/dbraw/zinc/88/33/48/673883348.db2.gz PQICDNWQTMXXQP-JTQLQIEISA-N 1 0 361.851 2.319 20 5 FEBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602144852 673902470 /nfs/dbraw/zinc/90/24/70/673902470.db2.gz QETOBKBMCOKIBR-UHFFFAOYSA-N 1 0 369.849 2.265 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000602491462 673907073 /nfs/dbraw/zinc/90/70/73/673907073.db2.gz HMXFUSUFFOMRQR-KOLCDFICSA-N 1 0 354.204 2.181 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000602492874 673907107 /nfs/dbraw/zinc/90/71/07/673907107.db2.gz YYMBJBMTADFRHB-ONGXEEELSA-N 1 0 354.204 2.181 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000602544386 673907562 /nfs/dbraw/zinc/90/75/62/673907562.db2.gz QZNOOOHLMRHGBH-QWHCGFSZSA-N 1 0 356.220 2.157 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541848 673907661 /nfs/dbraw/zinc/90/76/61/673907661.db2.gz REQZQTJJTQPGRP-SKDRFNHKSA-N 1 0 361.320 2.203 20 5 FEBDRO CN(c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O ZINC000602538567 673907679 /nfs/dbraw/zinc/90/76/79/673907679.db2.gz GFRIRQLSEAXHJR-UHFFFAOYSA-N 1 0 363.439 2.323 20 5 FEBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602706284 673910050 /nfs/dbraw/zinc/91/00/50/673910050.db2.gz KHMRDBTVYXDRKV-LESHARBVSA-N 1 0 366.487 2.238 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603385596 673928638 /nfs/dbraw/zinc/92/86/38/673928638.db2.gz UPRGNMAWZGHXKO-UHFFFAOYSA-N 1 0 367.471 2.264 20 5 FEBDRO COc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000566748347 675239725 /nfs/dbraw/zinc/23/97/25/675239725.db2.gz OXMIEQDINUCIEN-ZDUSSCGKSA-N 1 0 353.394 2.434 20 5 FEBDRO CC(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819064480 675257635 /nfs/dbraw/zinc/25/76/35/675257635.db2.gz ZSIWLRFMOGWINC-MRXNPFEDSA-N 1 0 351.403 2.227 20 5 FEBDRO CC(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819063983 675257768 /nfs/dbraw/zinc/25/77/68/675257768.db2.gz RHIRJMVDIBTNDM-INIZCTEOSA-N 1 0 351.403 2.227 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000615313923 676211888 /nfs/dbraw/zinc/21/18/88/676211888.db2.gz YJFFJHRLWSNBEA-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO CSC[C@@H](O)C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000567679926 675312024 /nfs/dbraw/zinc/31/20/24/675312024.db2.gz JKGAREICOMGXQQ-JTQLQIEISA-N 1 0 353.366 2.339 20 5 FEBDRO Cc1ccc(Br)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000567694589 675313653 /nfs/dbraw/zinc/31/36/53/675313653.db2.gz XRVXTPLEWCWWPW-ZDUSSCGKSA-N 1 0 369.219 2.013 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000819912918 675323540 /nfs/dbraw/zinc/32/35/40/675323540.db2.gz YNUSGQQFGDSHKG-SMDDNHRTSA-N 1 0 373.862 2.271 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000567861790 675330124 /nfs/dbraw/zinc/33/01/24/675330124.db2.gz YTMHYLMOGGGTSM-AWEZNQCLSA-N 1 0 361.423 2.236 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCS1(=O)=O ZINC000615721252 676225369 /nfs/dbraw/zinc/22/53/69/676225369.db2.gz OBRKYUCSOLMJEE-KAMYIIQDSA-N 1 0 353.444 2.013 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC)[C@H]2C1 ZINC000820592932 675372721 /nfs/dbraw/zinc/37/27/21/675372721.db2.gz ZTJRUZGXIVSNRE-LSDHHAIUSA-N 1 0 365.455 2.252 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761549 676226495 /nfs/dbraw/zinc/22/64/95/676226495.db2.gz CNCKZQSLYDTDHN-GOEBONIOSA-N 1 0 352.456 2.330 20 5 FEBDRO CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000822606820 675495018 /nfs/dbraw/zinc/49/50/18/675495018.db2.gz USSAIDCVDDLSGG-GFCCVEGCSA-N 1 0 356.220 2.458 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCN(C2CC2)CC1 ZINC000822818385 675509016 /nfs/dbraw/zinc/50/90/16/675509016.db2.gz BPONWTBSRUBNBB-UHFFFAOYSA-N 1 0 366.805 2.127 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000823201046 675536073 /nfs/dbraw/zinc/53/60/73/675536073.db2.gz YDUFVTGJZGUUSS-LLVKDONJSA-N 1 0 368.821 2.278 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824896832 675627251 /nfs/dbraw/zinc/62/72/51/675627251.db2.gz DCMDMHRMMGFRRP-CQSZACIVSA-N 1 0 370.471 2.099 20 5 FEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000825269572 675644448 /nfs/dbraw/zinc/64/44/48/675644448.db2.gz QGFNAOTXUUQXTC-SNVBAGLBSA-N 1 0 360.183 2.367 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000826943250 675717457 /nfs/dbraw/zinc/71/74/57/675717457.db2.gz WHIKWACKBRMQFH-CQSZACIVSA-N 1 0 365.213 2.159 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC000827435369 675755546 /nfs/dbraw/zinc/75/55/46/675755546.db2.gz GMZZQMLUPNPECX-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000604199230 675803995 /nfs/dbraw/zinc/80/39/95/675803995.db2.gz OUJXJXXLNDJUQB-SNVBAGLBSA-N 1 0 361.320 2.360 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000829852315 677015016 /nfs/dbraw/zinc/01/50/16/677015016.db2.gz TZLCNDLCXIMVFU-NSHDSACASA-N 1 0 359.373 2.268 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839471610 680754606 /nfs/dbraw/zinc/75/46/06/680754606.db2.gz WPHCTLFVHJVCSU-LLVKDONJSA-N 1 0 368.821 2.033 20 5 FEBDRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839682548 680771849 /nfs/dbraw/zinc/77/18/49/680771849.db2.gz FRRGEJXUELVWFP-BFHYXJOUSA-N 1 0 357.332 2.061 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000840754599 680840908 /nfs/dbraw/zinc/84/09/08/680840908.db2.gz JHOGOTUQNDNICT-LSDHHAIUSA-N 1 0 350.444 2.087 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000765796056 680855644 /nfs/dbraw/zinc/85/56/44/680855644.db2.gz MBIOFVKHYKIGJY-CMPLNLGQSA-N 1 0 356.220 2.362 20 5 FEBDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072661 680221829 /nfs/dbraw/zinc/22/18/29/680221829.db2.gz JFXTXDIMCIEULZ-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000752234496 680231120 /nfs/dbraw/zinc/23/11/20/680231120.db2.gz IJLISLBOKIKLHE-CHWSQXEVSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650975 680317843 /nfs/dbraw/zinc/31/78/43/680317843.db2.gz ZGTORHFPWPZQPF-QGMIFYJMSA-N 1 0 355.797 2.129 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000996428818 680332256 /nfs/dbraw/zinc/33/22/56/680332256.db2.gz IFRZQHOKBREPTA-UKRRQHHQSA-N 1 0 355.797 2.225 20 5 FEBDRO O=C(NCC[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754975153 680391106 /nfs/dbraw/zinc/39/11/06/680391106.db2.gz BGNRYTBRKXBDAV-UHFFFAOYSA-N 1 0 360.183 2.322 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644020 680436660 /nfs/dbraw/zinc/43/66/60/680436660.db2.gz YCYPPNKHLVJETA-DSZLRUIBSA-N 1 0 353.369 2.147 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368193 680458941 /nfs/dbraw/zinc/45/89/41/680458941.db2.gz LXAFVMDGGNRFOI-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000837191353 680565771 /nfs/dbraw/zinc/56/57/71/680565771.db2.gz NGLYFPYLWDKCTQ-LBPRGKRZSA-N 1 0 352.410 2.355 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774233 680666810 /nfs/dbraw/zinc/66/68/10/680666810.db2.gz KTJNMWUPQMFYKF-DGCLKSJQSA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841892484 680916882 /nfs/dbraw/zinc/91/68/82/680916882.db2.gz ZPFRPHRSJPDWOO-VXGBXAGGSA-N 1 0 372.263 2.244 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842482639 680949974 /nfs/dbraw/zinc/94/99/74/680949974.db2.gz UDBWYTSXWFDFID-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1C ZINC000842701767 680960545 /nfs/dbraw/zinc/96/05/45/680960545.db2.gz XTDVJHVSDVLWKZ-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842799228 680967674 /nfs/dbraw/zinc/96/76/74/680967674.db2.gz YBEQHMQFXCLGTH-UHFFFAOYSA-N 1 0 359.835 2.105 20 5 FEBDRO Cc1nn(CN2CCSC3(CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000769777431 680994657 /nfs/dbraw/zinc/99/46/57/680994657.db2.gz JXGPXCMRIGGJIA-UHFFFAOYSA-N 1 0 363.443 2.203 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000843478315 681005984 /nfs/dbraw/zinc/00/59/84/681005984.db2.gz XBHARRFGBJNIID-UHFFFAOYSA-N 1 0 353.394 2.480 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000843987912 681029469 /nfs/dbraw/zinc/02/94/69/681029469.db2.gz GUIAUONLCJRYQV-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771507801 681057810 /nfs/dbraw/zinc/05/78/10/681057810.db2.gz AOTRXCUYPZLNDM-UHFFFAOYSA-N 1 0 363.443 2.450 20 5 FEBDRO COCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000844431754 681058367 /nfs/dbraw/zinc/05/83/67/681058367.db2.gz NQPNIWLITHXIHK-UHFFFAOYSA-N 1 0 352.391 2.046 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000771555074 681059516 /nfs/dbraw/zinc/05/95/16/681059516.db2.gz CVBSVUHBXVUPDZ-LBPRGKRZSA-N 1 0 359.423 2.193 20 5 FEBDRO COCCN1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC000844952987 681094790 /nfs/dbraw/zinc/09/47/90/681094790.db2.gz LWZJDOJYPZEHCI-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774154281 681170662 /nfs/dbraw/zinc/17/06/62/681170662.db2.gz DKXRSFQXOVVGRY-QWHCGFSZSA-N 1 0 353.423 2.389 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000846204304 681200428 /nfs/dbraw/zinc/20/04/28/681200428.db2.gz HZTMPESHQSZVDK-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775815105 681338391 /nfs/dbraw/zinc/33/83/91/681338391.db2.gz ISOBJUJWOPFGCA-IVMMDQJWSA-N 1 0 351.403 2.085 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776496996 681396578 /nfs/dbraw/zinc/39/65/78/681396578.db2.gz BXLBRDXDOBFDEX-IUODEOHRSA-N 1 0 374.846 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000776591549 681412594 /nfs/dbraw/zinc/41/25/94/681412594.db2.gz JSHCUWZMYXCTAB-MSOLQXFVSA-N 1 0 350.415 2.288 20 5 FEBDRO CCON(CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934037670 681499443 /nfs/dbraw/zinc/49/94/43/681499443.db2.gz GVUKKOKSQUKECY-UHFFFAOYSA-N 1 0 351.407 2.152 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800348 681531682 /nfs/dbraw/zinc/53/16/82/681531682.db2.gz PCBYMXDNZZFWPR-MNOVXSKESA-N 1 0 363.443 2.450 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848582220 681582755 /nfs/dbraw/zinc/58/27/55/681582755.db2.gz IEGMNSRALIDJKS-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848587523 681584268 /nfs/dbraw/zinc/58/42/68/681584268.db2.gz XEFGWZHTCYLOND-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000848591898 681585600 /nfs/dbraw/zinc/58/56/00/681585600.db2.gz ZQIBCARRFUNKHH-OAHLLOKOSA-N 1 0 355.341 2.121 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000848602080 681588457 /nfs/dbraw/zinc/58/84/57/681588457.db2.gz QARASCBBLHQBTO-UHFFFAOYSA-N 1 0 373.862 2.449 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000778410262 681609207 /nfs/dbraw/zinc/60/92/07/681609207.db2.gz LLNOGCRNAPTKBN-LLVKDONJSA-N 1 0 350.375 2.305 20 5 FEBDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000934750761 681620581 /nfs/dbraw/zinc/62/05/81/681620581.db2.gz RNQMHIPORTXOEV-XMMPIXPASA-N 1 0 354.476 2.381 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849411280 681719275 /nfs/dbraw/zinc/71/92/75/681719275.db2.gz DAVODPZTYOEXJW-GFCCVEGCSA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849468035 681750878 /nfs/dbraw/zinc/75/08/78/681750878.db2.gz CCDMYHUWGLBAJH-LBPRGKRZSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1CC(C)(C)O ZINC000780658583 681857747 /nfs/dbraw/zinc/85/77/47/681857747.db2.gz QUEMEWPNVHPGHQ-LLVKDONJSA-N 1 0 350.444 2.486 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850508018 681909663 /nfs/dbraw/zinc/90/96/63/681909663.db2.gz QSIRSGGXZDTHMM-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781594167 681951228 /nfs/dbraw/zinc/95/12/28/681951228.db2.gz AOIAMUFXRGQGHL-UHFFFAOYSA-N 1 0 352.391 2.282 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000918194038 685537847 /nfs/dbraw/zinc/53/78/47/685537847.db2.gz QJUFPXYBGNCKRG-VXGBXAGGSA-N 1 0 359.423 2.275 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000785815312 682327182 /nfs/dbraw/zinc/32/71/82/682327182.db2.gz GOXYEZHVLYGMCE-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855167177 682634919 /nfs/dbraw/zinc/63/49/19/682634919.db2.gz XEHHRPJCGXCSCV-LLVKDONJSA-N 1 0 350.375 2.414 20 5 FEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+](CC2CC2)CC1 ZINC000790558364 682685300 /nfs/dbraw/zinc/68/53/00/682685300.db2.gz HHMNOGVULRSPTD-UHFFFAOYSA-N 1 0 355.797 2.484 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790636178 682690014 /nfs/dbraw/zinc/69/00/14/682690014.db2.gz VPOSXLLMTFCDLP-LBPRGKRZSA-N 1 0 373.812 2.157 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000856428517 682780875 /nfs/dbraw/zinc/78/08/75/682780875.db2.gz XEUKJMAFEBSOGM-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766588 682911135 /nfs/dbraw/zinc/91/11/35/682911135.db2.gz PMSHOMVOPBGSJU-HNNXBMFYSA-N 1 0 355.341 2.169 20 5 FEBDRO C[N@@H+]1CC[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000794326760 682956725 /nfs/dbraw/zinc/95/67/25/682956725.db2.gz PYEGWAYLZWEOAK-JTQLQIEISA-N 1 0 368.231 2.194 20 5 FEBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000794326762 682956990 /nfs/dbraw/zinc/95/69/90/682956990.db2.gz PYEGWAYLZWEOAK-SNVBAGLBSA-N 1 0 368.231 2.194 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000858619042 682985833 /nfs/dbraw/zinc/98/58/33/682985833.db2.gz JQYUVUKLUKVKAC-GFCCVEGCSA-N 1 0 359.835 2.120 20 5 FEBDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796156175 683133903 /nfs/dbraw/zinc/13/39/03/683133903.db2.gz FTCXAVQOKLOJCK-AWEZNQCLSA-N 1 0 353.423 2.172 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928092983 683381788 /nfs/dbraw/zinc/38/17/88/683381788.db2.gz JKIZQOMPYCIGEF-GJZGRUSLSA-N 1 0 369.874 2.487 20 5 FEBDRO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000861351007 683396018 /nfs/dbraw/zinc/39/60/18/683396018.db2.gz BCXCGOFIRHFFMO-QFYYESIMSA-N 1 0 356.350 2.009 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928446095 683453297 /nfs/dbraw/zinc/45/32/97/683453297.db2.gz VDHVHERKRCQDQE-FZMZJTMJSA-N 1 0 353.444 2.156 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000921720884 683556969 /nfs/dbraw/zinc/55/69/69/683556969.db2.gz BDOIBQLRLOHMCX-UHFFFAOYSA-N 1 0 353.444 2.280 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000921992220 683632952 /nfs/dbraw/zinc/63/29/52/683632952.db2.gz ZUUOOFJILMCTBD-RBSFLKMASA-N 1 0 368.455 2.163 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844181 683792050 /nfs/dbraw/zinc/79/20/50/683792050.db2.gz BQUZTIZVDOJEAE-KFWWJZLASA-N 1 0 357.451 2.047 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865809337 684031126 /nfs/dbraw/zinc/03/11/26/684031126.db2.gz OSTTUDJCEBWWRA-LLVKDONJSA-N 1 0 356.220 2.110 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827005 684162324 /nfs/dbraw/zinc/16/23/24/684162324.db2.gz GWNYJZWKMCPINS-NEPJUHHUSA-N 1 0 359.835 2.072 20 5 FEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000867265274 684235006 /nfs/dbraw/zinc/23/50/06/684235006.db2.gz DUMCOMMHDCTIOS-UHFFFAOYSA-N 1 0 352.771 2.190 20 5 FEBDRO CCOc1ccc(NC(=O)CN2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000923443782 684281900 /nfs/dbraw/zinc/28/19/00/684281900.db2.gz RGEPTFPBTMOMRU-UPJWGTAASA-N 1 0 350.419 2.003 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923732934 684341802 /nfs/dbraw/zinc/34/18/02/684341802.db2.gz YJUPCNJZDBVASL-HNNXBMFYSA-N 1 0 373.862 2.463 20 5 FEBDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C1CC1 ZINC000931848441 684356029 /nfs/dbraw/zinc/35/60/29/684356029.db2.gz ALMJVUFPSKSXOG-UONOGXRCSA-N 1 0 350.419 2.091 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815191 684398082 /nfs/dbraw/zinc/39/80/82/684398082.db2.gz YVCNHQJSXBJMTH-FZMZJTMJSA-N 1 0 373.862 2.271 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925762975 684583247 /nfs/dbraw/zinc/58/32/47/684583247.db2.gz PQCYREAZWIUSHN-BKNSQDEOSA-N 1 0 352.232 2.443 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000872052247 684917225 /nfs/dbraw/zinc/91/72/25/684917225.db2.gz MPZHJDALYZDZMY-WCQYABFASA-N 1 0 373.500 2.391 20 5 FEBDRO Cc1cc(N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872656050 684997263 /nfs/dbraw/zinc/99/72/63/684997263.db2.gz RCTWCKWSNULOSG-CHWSQXEVSA-N 1 0 361.423 2.322 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877278208 686347632 /nfs/dbraw/zinc/34/76/32/686347632.db2.gz RJPPSRZNODJHTN-QWHCGFSZSA-N 1 0 354.204 2.324 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000877365920 686365601 /nfs/dbraw/zinc/36/56/01/686365601.db2.gz IIOOEDCLESYBNE-BXKDBHETSA-N 1 0 363.361 2.283 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000878091822 686518494 /nfs/dbraw/zinc/51/84/94/686518494.db2.gz JGVAFNSSIFNAJZ-LBPRGKRZSA-N 1 0 353.423 2.041 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000879574995 686860478 /nfs/dbraw/zinc/86/04/78/686860478.db2.gz HSEQODXHHGJAQV-SMDDNHRTSA-N 1 0 352.822 2.213 20 5 FEBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000880060830 686990376 /nfs/dbraw/zinc/99/03/76/686990376.db2.gz YSPRPWGRCLMFML-ZANVPECISA-N 1 0 361.320 2.235 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000882501321 687379555 /nfs/dbraw/zinc/37/95/55/687379555.db2.gz RELCBUHIIYQZFT-YPMHNXCESA-N 1 0 373.862 2.271 20 5 FEBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000882769179 687480805 /nfs/dbraw/zinc/48/08/05/687480805.db2.gz KRGDNDBTAHAASK-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885455440 688076879 /nfs/dbraw/zinc/07/68/79/688076879.db2.gz KTBKRSSVFKGVBR-OLZOCXBDSA-N 1 0 373.862 2.496 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000885459620 688078511 /nfs/dbraw/zinc/07/85/11/688078511.db2.gz LHCBORVXNWPHIN-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO O=[N+]([O-])c1ncccc1CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000885965951 688188095 /nfs/dbraw/zinc/18/80/95/688188095.db2.gz ZDRJDVJSASNITE-UHFFFAOYSA-N 1 0 362.352 2.076 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887926752 688521085 /nfs/dbraw/zinc/52/10/85/688521085.db2.gz XAQYWMAUHWJGGZ-BZNIZROVSA-N 1 0 355.797 2.340 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887934707 688522631 /nfs/dbraw/zinc/52/26/31/688522631.db2.gz RJGPUZYVKPCZPL-BWACUDIHSA-N 1 0 367.833 2.426 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892002004 689138130 /nfs/dbraw/zinc/13/81/30/689138130.db2.gz ZSSHLOMIGRJYPZ-JTQLQIEISA-N 1 0 371.235 2.156 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000892097794 689149457 /nfs/dbraw/zinc/14/94/57/689149457.db2.gz RJVIWCFLXAJSAU-JOYOIKCWSA-N 1 0 371.235 2.297 20 5 FEBDRO Cc1c(Br)c(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248257 689684107 /nfs/dbraw/zinc/68/41/07/689684107.db2.gz ZJGCVMMJMIWGSZ-JQWIXIFHSA-N 1 0 372.267 2.107 20 5 FEBDRO COc1cc(C[NH2+]C2CC(CCO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000898011049 690115132 /nfs/dbraw/zinc/11/51/32/690115132.db2.gz MZHCCSOWMIZKMJ-UHFFFAOYSA-N 1 0 360.357 2.498 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900187339 690481007 /nfs/dbraw/zinc/48/10/07/690481007.db2.gz FDUDMSXIFPFJEV-UHFFFAOYSA-N 1 0 372.828 2.145 20 5 FEBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900221361 690486212 /nfs/dbraw/zinc/48/62/12/690486212.db2.gz OHTYQHDISCXMFF-UHFFFAOYSA-N 1 0 359.785 2.230 20 5 FEBDRO CC(C)[NH2+]Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640898 690541865 /nfs/dbraw/zinc/54/18/65/690541865.db2.gz GRVSUORYJKDZJA-UHFFFAOYSA-N 1 0 354.208 2.495 20 5 FEBDRO O=C(CCN[C@H]1CC[NH2+]C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903483694 690898478 /nfs/dbraw/zinc/89/84/78/690898478.db2.gz KGNDOYWRFJYBBC-HNNXBMFYSA-N 1 0 350.394 2.327 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956682 690989223 /nfs/dbraw/zinc/98/92/23/690989223.db2.gz MWMMZJVYLSUNKO-VXGBXAGGSA-N 1 0 356.373 2.146 20 5 FEBDRO [NH3+][C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C(F)(F)F ZINC000903982789 690992082 /nfs/dbraw/zinc/99/20/82/690992082.db2.gz VIKMNGRFJSQKBI-MNOVXSKESA-N 1 0 361.320 2.078 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000905518142 691130710 /nfs/dbraw/zinc/13/07/10/691130710.db2.gz XASJENODAOSACZ-JTNHKYCSSA-N 1 0 364.320 2.034 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC000905569886 691143588 /nfs/dbraw/zinc/14/35/88/691143588.db2.gz CJPSRJKOSJOPRA-JOYOIKCWSA-N 1 0 352.334 2.157 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000905622634 691153049 /nfs/dbraw/zinc/15/30/49/691153049.db2.gz DIHDCWQYAVCANB-HNNXBMFYSA-N 1 0 368.455 2.450 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000905622705 691153117 /nfs/dbraw/zinc/15/31/17/691153117.db2.gz FPAIRBGRSHUMDB-CABCVRRESA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000905633537 691154322 /nfs/dbraw/zinc/15/43/22/691154322.db2.gz LJMIFYPCGKDAFK-ZIAGYGMSSA-N 1 0 352.485 2.461 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851769 691182711 /nfs/dbraw/zinc/18/27/11/691182711.db2.gz CXAFETVJXCGZMJ-VBNZEHGJSA-N 1 0 364.471 2.091 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908239779 691642254 /nfs/dbraw/zinc/64/22/54/691642254.db2.gz NNHVJABLBNEIDY-UHFFFAOYSA-N 1 0 374.844 2.343 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000908587236 691701897 /nfs/dbraw/zinc/70/18/97/691701897.db2.gz KWBVYJABCOCGRA-UHFFFAOYSA-N 1 0 367.471 2.038 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000908589328 691702388 /nfs/dbraw/zinc/70/23/88/691702388.db2.gz PQCNEZSOGMTINR-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO COc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164621733 719052035 /nfs/dbraw/zinc/05/20/35/719052035.db2.gz JPMUQHSNXHCUCT-NVXWUHKLSA-N 1 0 369.425 2.494 20 5 FEBDRO CC(C)N(C)Cc1nn(-c2cc(Cl)ncc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685147 719609869 /nfs/dbraw/zinc/60/98/69/719609869.db2.gz SCHBFOCSGUEJSA-UHFFFAOYSA-N 1 0 364.837 2.315 20 5 FEBDRO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723584 720351197 /nfs/dbraw/zinc/35/11/97/720351197.db2.gz IBQIALFHBRVSNK-CABCVRRESA-N 1 0 355.398 2.247 20 5 FEBDRO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723590 720351212 /nfs/dbraw/zinc/35/12/12/720351212.db2.gz IBQIALFHBRVSNK-LSDHHAIUSA-N 1 0 355.398 2.247 20 5 FEBDRO O=[N+]([O-])c1cccc2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc21 ZINC001164968059 722070962 /nfs/dbraw/zinc/07/09/62/722070962.db2.gz ZJKQYQQPYSSFLT-IYBDPMFKSA-N 1 0 354.410 2.442 20 5 FEBDRO C[C@@H]1C[C@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000511635222 795275423 /nfs/dbraw/zinc/27/54/23/795275423.db2.gz FBWRCMILNGFTCM-HIFRSBDPSA-N 1 0 356.430 2.102 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000800309297 674040451 /nfs/dbraw/zinc/04/04/51/674040451.db2.gz KLDRYRZFXNPBDR-MFKMUULPSA-N 1 0 361.851 2.056 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008121896 539477807 /nfs/dbraw/zinc/47/78/07/539477807.db2.gz JYXFUYRHHGKJPB-UHFFFAOYSA-N 1 0 358.423 2.431 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000014870923 539607293 /nfs/dbraw/zinc/60/72/93/539607293.db2.gz MUMLHBNDNFVUEJ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000023242133 539709068 /nfs/dbraw/zinc/70/90/68/539709068.db2.gz UITIBPYXZFSHFI-UHFFFAOYSA-N 1 0 371.441 2.280 20 5 FEBDRO Cc1cccc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000031467459 539908565 /nfs/dbraw/zinc/90/85/65/539908565.db2.gz WFUSVKOEHMRFHP-UHFFFAOYSA-N 1 0 370.409 2.447 20 5 FEBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032663120 539947106 /nfs/dbraw/zinc/94/71/06/539947106.db2.gz DQQUUDMCJPFTNL-LLVKDONJSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000041860047 540036772 /nfs/dbraw/zinc/03/67/72/540036772.db2.gz DKANQFPDSPWACX-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000045410187 540212122 /nfs/dbraw/zinc/21/21/22/540212122.db2.gz CRAHWGQZUZSROD-UHFFFAOYSA-N 1 0 373.457 2.053 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000046996632 540283585 /nfs/dbraw/zinc/28/35/85/540283585.db2.gz UBQMBVQELQTORQ-ZIAGYGMSSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000047147712 540292814 /nfs/dbraw/zinc/29/28/14/540292814.db2.gz CZWDWTZSRFOLML-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)cc1 ZINC000052951412 540501973 /nfs/dbraw/zinc/50/19/73/540501973.db2.gz CEYJUOMBFASNJG-KRWDZBQOSA-N 1 0 358.398 2.498 20 5 FEBDRO CC(C)[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053458694 540537211 /nfs/dbraw/zinc/53/72/11/540537211.db2.gz MUIYDSQQTYTHQE-UHFFFAOYSA-N 1 0 357.414 2.162 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000053992119 540562786 /nfs/dbraw/zinc/56/27/86/540562786.db2.gz XTHXKACLSIVNIM-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056141012 540706345 /nfs/dbraw/zinc/70/63/45/540706345.db2.gz VGNGSHDZPRUKBN-AGUYFDCRSA-N 1 0 353.444 2.054 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])c1 ZINC000057839545 540818718 /nfs/dbraw/zinc/81/87/18/540818718.db2.gz HEDFPLHBCQJVDT-UHFFFAOYSA-N 1 0 372.491 2.425 20 5 FEBDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000057843589 540818911 /nfs/dbraw/zinc/81/89/11/540818911.db2.gz PIHFIZPWCHEMAD-ZDUSSCGKSA-N 1 0 363.439 2.478 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000060379933 541109423 /nfs/dbraw/zinc/10/94/23/541109423.db2.gz UPRHJNAEKLVSHY-UHFFFAOYSA-N 1 0 357.414 2.457 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000063711009 541180860 /nfs/dbraw/zinc/18/08/60/541180860.db2.gz AYONQRRCLBHYBU-CQSZACIVSA-N 1 0 365.430 2.219 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066196911 541290443 /nfs/dbraw/zinc/29/04/43/541290443.db2.gz SYZUPPBAJKHSKO-OAHLLOKOSA-N 1 0 363.462 2.157 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000067137258 541422440 /nfs/dbraw/zinc/42/24/40/541422440.db2.gz OAQHGEYTMLERQO-KGLIPLIRSA-N 1 0 372.429 2.026 20 5 FEBDRO COc1cc(OCC(=O)NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000067264594 541436905 /nfs/dbraw/zinc/43/69/05/541436905.db2.gz XUTXJWQVQBFZGJ-UHFFFAOYSA-N 1 0 365.430 2.219 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068178606 541558552 /nfs/dbraw/zinc/55/85/52/541558552.db2.gz VLXSWLVCYCIRPH-QGZVFWFLSA-N 1 0 374.441 2.023 20 5 FEBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069033465 541650512 /nfs/dbraw/zinc/65/05/12/541650512.db2.gz CVMFMWVVCAGKBX-GOSISDBHSA-N 1 0 372.469 2.434 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440995 541687245 /nfs/dbraw/zinc/68/72/45/541687245.db2.gz HAJZRTUIZQUOKK-OAHLLOKOSA-N 1 0 364.446 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069857315 541717795 /nfs/dbraw/zinc/71/77/95/541717795.db2.gz FEDWIOQBJVXXNR-KRWDZBQOSA-N 1 0 363.458 2.408 20 5 FEBDRO COC(=O)c1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc([N+](=O)[O-])c1 ZINC000071028227 541759794 /nfs/dbraw/zinc/75/97/94/541759794.db2.gz HWUAFPMODSDIEP-UHFFFAOYSA-N 1 0 367.321 2.214 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC000072627401 541840314 /nfs/dbraw/zinc/84/03/14/541840314.db2.gz MENINOVQUSQLRK-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072725283 541858392 /nfs/dbraw/zinc/85/83/92/541858392.db2.gz WLNYTLZMSMBJFC-MRXNPFEDSA-N 1 0 360.458 2.290 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072796988 541866127 /nfs/dbraw/zinc/86/61/27/541866127.db2.gz XJHWDZNLAQRAKC-ZDUSSCGKSA-N 1 0 362.386 2.130 20 5 FEBDRO CC(C)NC(=O)c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000073869226 542009137 /nfs/dbraw/zinc/00/91/37/542009137.db2.gz ZYJGDVYFJXBEHF-UHFFFAOYSA-N 1 0 369.425 2.455 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000074449187 542085572 /nfs/dbraw/zinc/08/55/72/542085572.db2.gz UQHUABAXPIAYCG-UHFFFAOYSA-N 1 0 353.382 2.463 20 5 FEBDRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555179 674135053 /nfs/dbraw/zinc/13/50/53/674135053.db2.gz GEQANYOWUPLBDC-ZWNOBZJWSA-N 1 0 359.220 2.329 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000077140535 542348304 /nfs/dbraw/zinc/34/83/04/542348304.db2.gz QOKNZARGHOWKBJ-CYBMUJFWSA-N 1 0 357.414 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000077451314 542383219 /nfs/dbraw/zinc/38/32/19/542383219.db2.gz FMBXTIFUIOYZOC-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079795527 542542428 /nfs/dbraw/zinc/54/24/28/542542428.db2.gz RSIRYHNSKFQNSX-SNVBAGLBSA-N 1 0 354.204 2.324 20 5 FEBDRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000079999375 542557386 /nfs/dbraw/zinc/55/73/86/542557386.db2.gz DIRUKFXXXOMOEZ-CQSZACIVSA-N 1 0 350.419 2.067 20 5 FEBDRO CCOc1cc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641110 542876304 /nfs/dbraw/zinc/87/63/04/542876304.db2.gz AEYAWBAULAAPDZ-MRXNPFEDSA-N 1 0 364.446 2.348 20 5 FEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092734066 542884034 /nfs/dbraw/zinc/88/40/34/542884034.db2.gz ZFERCJAIEAUMHT-CYBMUJFWSA-N 1 0 365.430 2.350 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000094127874 542953050 /nfs/dbraw/zinc/95/30/50/542953050.db2.gz IFHKZBOBRRHEGE-UHFFFAOYSA-N 1 0 362.474 2.230 20 5 FEBDRO CC[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000098104384 543021501 /nfs/dbraw/zinc/02/15/01/543021501.db2.gz WGVVKROBAOBZET-INIZCTEOSA-N 1 0 371.441 2.203 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000106363925 543225760 /nfs/dbraw/zinc/22/57/60/543225760.db2.gz RCQJNFPTQQFTJR-GFCCVEGCSA-N 1 0 350.375 2.286 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000106937503 543256541 /nfs/dbraw/zinc/25/65/41/543256541.db2.gz JBSYYWONGAGNAC-INIZCTEOSA-N 1 0 361.446 2.147 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000106938520 543257108 /nfs/dbraw/zinc/25/71/08/543257108.db2.gz QLWYTEHOHISSCA-OAHLLOKOSA-N 1 0 361.446 2.147 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000107707555 543276710 /nfs/dbraw/zinc/27/67/10/543276710.db2.gz ZWHYFHQAHZZOQL-GFCCVEGCSA-N 1 0 359.473 2.295 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCOC1 ZINC000107692001 543275796 /nfs/dbraw/zinc/27/57/96/543275796.db2.gz ISUHXNNUCPYBGV-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000109070873 543312962 /nfs/dbraw/zinc/31/29/62/543312962.db2.gz CRJZVPOMEUYOHK-AWEZNQCLSA-N 1 0 373.413 2.161 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112921746 543468362 /nfs/dbraw/zinc/46/83/62/543468362.db2.gz JMUUFPJQUVUFAQ-AWEZNQCLSA-N 1 0 373.457 2.080 20 5 FEBDRO CCC(CC)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH2+][C@@H](C)c1ccccc1 ZINC000113189797 543476201 /nfs/dbraw/zinc/47/62/01/543476201.db2.gz NFDMNFAIQJRTPK-AWEZNQCLSA-N 1 0 374.445 2.212 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000113301459 543483424 /nfs/dbraw/zinc/48/34/24/543483424.db2.gz DBTIOXNFNZRLNL-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000114400620 543514086 /nfs/dbraw/zinc/51/40/86/543514086.db2.gz XPZGGDQFDSNFAI-AWEZNQCLSA-N 1 0 367.471 2.247 20 5 FEBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)O ZINC000114487595 543520020 /nfs/dbraw/zinc/52/00/20/543520020.db2.gz SDEIERATJBMVLS-UHFFFAOYSA-N 1 0 374.235 2.389 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000118100093 543644792 /nfs/dbraw/zinc/64/47/92/543644792.db2.gz KLFJYGLMTLLDBW-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000124213656 543807118 /nfs/dbraw/zinc/80/71/18/543807118.db2.gz CUKDTZJSJMZJNN-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124703574 543838063 /nfs/dbraw/zinc/83/80/63/543838063.db2.gz ZNRFJFZCTLCFQF-OCCSQVGLSA-N 1 0 372.429 2.039 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000124744787 543840669 /nfs/dbraw/zinc/84/06/69/543840669.db2.gz CASLOPHNDFBEQM-GFCCVEGCSA-N 1 0 361.489 2.460 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000125481307 543884049 /nfs/dbraw/zinc/88/40/49/543884049.db2.gz KLXUUQUQYFDQQF-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126146203 543921339 /nfs/dbraw/zinc/92/13/39/543921339.db2.gz HOIKWYUNFHODFA-UHFFFAOYSA-N 1 0 368.865 2.346 20 5 FEBDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126387375 543932894 /nfs/dbraw/zinc/93/28/94/543932894.db2.gz UYDQBBCLJXYXCR-FNODVLLQSA-N 1 0 351.428 2.491 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000127306682 543984980 /nfs/dbraw/zinc/98/49/80/543984980.db2.gz IXYKFMQSHJIWOB-PXAZEXFGSA-N 1 0 372.425 2.239 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130255480 544144229 /nfs/dbraw/zinc/14/42/29/544144229.db2.gz JJOWTDBDLTWWIL-INIZCTEOSA-N 1 0 374.441 2.188 20 5 FEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000131986834 544214613 /nfs/dbraw/zinc/21/46/13/544214613.db2.gz PSZUEEFEQAMOQO-SECBINFHSA-N 1 0 354.823 2.338 20 5 FEBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1O2 ZINC000134992036 544330346 /nfs/dbraw/zinc/33/03/46/544330346.db2.gz JFGLKLPEQKZPRP-CYBMUJFWSA-N 1 0 371.397 2.036 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000135986240 544364445 /nfs/dbraw/zinc/36/44/45/544364445.db2.gz FJZAXBFSJGFGEY-CYBMUJFWSA-N 1 0 357.414 2.480 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000149911083 544460268 /nfs/dbraw/zinc/46/02/68/544460268.db2.gz LYZASFASCSNTQT-YOEHRIQHSA-N 1 0 371.441 2.442 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151803563 544582729 /nfs/dbraw/zinc/58/27/29/544582729.db2.gz XPHXQMUMOKGNEQ-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000152488572 544661068 /nfs/dbraw/zinc/66/10/68/544661068.db2.gz XHDRAWNNWLZMRY-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152850944 544703304 /nfs/dbraw/zinc/70/33/04/544703304.db2.gz IQFIFDDELSNQDA-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000152938617 544714195 /nfs/dbraw/zinc/71/41/95/544714195.db2.gz IZMIMAWVNWPPTL-STQMWFEESA-N 1 0 351.403 2.167 20 5 FEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCc1ccccn1 ZINC000152970843 544717030 /nfs/dbraw/zinc/71/70/30/544717030.db2.gz ICIJOXOKLPAXSY-UHFFFAOYSA-N 1 0 356.382 2.462 20 5 FEBDRO Nc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000154452341 544907830 /nfs/dbraw/zinc/90/78/30/544907830.db2.gz NENNVHOPMIGOQN-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000154277609 544885676 /nfs/dbraw/zinc/88/56/76/544885676.db2.gz WUEHLGWTRJUNAL-MRXNPFEDSA-N 1 0 365.478 2.425 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155115671 544991606 /nfs/dbraw/zinc/99/16/06/544991606.db2.gz FJQNEUSHGSYIDU-HNNXBMFYSA-N 1 0 355.460 2.088 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000553227007 674246386 /nfs/dbraw/zinc/24/63/86/674246386.db2.gz NSDJBGWNNHXSNM-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000553283913 674250307 /nfs/dbraw/zinc/25/03/07/674250307.db2.gz KCGWEOBHEQAVAZ-AWEZNQCLSA-N 1 0 351.403 2.337 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CCCCC2)n1 ZINC000553307468 674252205 /nfs/dbraw/zinc/25/22/05/674252205.db2.gz RHZDZEJMYQTJIY-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000553558020 674270693 /nfs/dbraw/zinc/27/06/93/674270693.db2.gz QJHWJKMJFWHWRV-JQWIXIFHSA-N 1 0 359.473 2.212 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000179710445 327656726 /nfs/dbraw/zinc/65/67/26/327656726.db2.gz BRGCCIXJPSEHJR-UHFFFAOYSA-N 1 0 361.442 2.457 20 5 FEBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004967 327667764 /nfs/dbraw/zinc/66/77/64/327667764.db2.gz HXFFOEMQQZTXNV-SMDDNHRTSA-N 1 0 359.386 2.252 20 5 FEBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004673 327667781 /nfs/dbraw/zinc/66/77/81/327667781.db2.gz XJNAHBSTVSSLGG-NHYWBVRUSA-N 1 0 359.386 2.252 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000180210468 327676612 /nfs/dbraw/zinc/67/66/12/327676612.db2.gz LJMSNGOQUCLTER-UHFFFAOYSA-N 1 0 357.366 2.315 20 5 FEBDRO O=C(NCCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180519735 327689362 /nfs/dbraw/zinc/68/93/62/327689362.db2.gz HBVYFKBVWMANSB-UHFFFAOYSA-N 1 0 373.356 2.038 20 5 FEBDRO C[C@@](CO)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181905080 327752020 /nfs/dbraw/zinc/75/20/20/327752020.db2.gz KGSBIIUREDGLRF-KRWDZBQOSA-N 1 0 370.471 2.289 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182136203 327762593 /nfs/dbraw/zinc/76/25/93/327762593.db2.gz VKKQIHQXCUFTLF-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000182629702 327782817 /nfs/dbraw/zinc/78/28/17/327782817.db2.gz KQFKZPUUQFBHEU-KRWDZBQOSA-N 1 0 360.414 2.077 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000182947861 327794785 /nfs/dbraw/zinc/79/47/85/327794785.db2.gz WCIRTQSUQAONDK-CYBMUJFWSA-N 1 0 371.434 2.149 20 5 FEBDRO CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000183323130 327811703 /nfs/dbraw/zinc/81/17/03/327811703.db2.gz KLTPNYBRZFGQLG-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000183469031 327819860 /nfs/dbraw/zinc/81/98/60/327819860.db2.gz JOTCJHBQVCMSGK-UHFFFAOYSA-N 1 0 355.398 2.018 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184826133 327884740 /nfs/dbraw/zinc/88/47/40/327884740.db2.gz GKTXUDVWWLXEBG-SWHYSGLUSA-N 1 0 359.386 2.340 20 5 FEBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000185750906 327931052 /nfs/dbraw/zinc/93/10/52/327931052.db2.gz BQROQCVMQCDQBN-UHFFFAOYSA-N 1 0 351.451 2.342 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000186760100 327980802 /nfs/dbraw/zinc/98/08/02/327980802.db2.gz RVGFWGAGRMONHI-MRXNPFEDSA-N 1 0 358.398 2.291 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187186885 328007802 /nfs/dbraw/zinc/00/78/02/328007802.db2.gz JXFYKGKEDHQBIA-FZKQIMNGSA-N 1 0 359.430 2.297 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187357254 328019229 /nfs/dbraw/zinc/01/92/29/328019229.db2.gz SWXYXEGXXWMOLI-HNNXBMFYSA-N 1 0 352.431 2.352 20 5 FEBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188142913 328069061 /nfs/dbraw/zinc/06/90/61/328069061.db2.gz HQPMBAVYTQCJOB-HNNXBMFYSA-N 1 0 356.382 2.262 20 5 FEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188617999 328098999 /nfs/dbraw/zinc/09/89/99/328098999.db2.gz IUWGIVJJHPZGDM-LBPRGKRZSA-N 1 0 369.849 2.094 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189094044 328128048 /nfs/dbraw/zinc/12/80/48/328128048.db2.gz RALYYZYDLLDFFK-HNNXBMFYSA-N 1 0 353.444 2.186 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189094255 328128385 /nfs/dbraw/zinc/12/83/85/328128385.db2.gz NHSWSOOKQJQIIJ-HNNXBMFYSA-N 1 0 353.444 2.186 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000189274767 328138335 /nfs/dbraw/zinc/13/83/35/328138335.db2.gz KLMVDJOCDIALGG-UHFFFAOYSA-N 1 0 374.445 2.288 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](O)C(F)(F)F ZINC000189479163 328150737 /nfs/dbraw/zinc/15/07/37/328150737.db2.gz WHPQMUBLZKILFI-ZDUSSCGKSA-N 1 0 363.336 2.477 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192763957 328338394 /nfs/dbraw/zinc/33/83/94/328338394.db2.gz JHKPHQCALZPYJL-OAHLLOKOSA-N 1 0 365.411 2.133 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192959405 328349208 /nfs/dbraw/zinc/34/92/08/328349208.db2.gz APRIVXZHPRUOSQ-AWEZNQCLSA-N 1 0 355.398 2.023 20 5 FEBDRO Cn1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000193000402 328351315 /nfs/dbraw/zinc/35/13/15/328351315.db2.gz GKELCVIQJJADBP-DLBZAZTESA-N 1 0 355.398 2.101 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000193306157 328367885 /nfs/dbraw/zinc/36/78/85/328367885.db2.gz JACUKUIUZOPTCE-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1CCCN(c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000193431590 328375313 /nfs/dbraw/zinc/37/53/13/328375313.db2.gz LRXCVJXQLJGQAY-UHFFFAOYSA-N 1 0 371.397 2.090 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000193709296 328390882 /nfs/dbraw/zinc/39/08/82/328390882.db2.gz SNJBLEWZZIOHGS-QGZVFWFLSA-N 1 0 372.421 2.444 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000236885452 328497239 /nfs/dbraw/zinc/49/72/39/328497239.db2.gz SGQNRSXDEDAJMM-VXGBXAGGSA-N 1 0 351.403 2.202 20 5 FEBDRO COc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(N)=O ZINC000237310041 328511845 /nfs/dbraw/zinc/51/18/45/328511845.db2.gz XCDBWFJZLYAYTL-UHFFFAOYSA-N 1 0 359.382 2.066 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000237347921 328513335 /nfs/dbraw/zinc/51/33/35/328513335.db2.gz IUHXWJXGUDNUBQ-UHFFFAOYSA-N 1 0 350.375 2.191 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237424253 328515644 /nfs/dbraw/zinc/51/56/44/328515644.db2.gz VWSVMPXWPPJQNG-RYUDHWBXSA-N 1 0 350.375 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081047808 325157300 /nfs/dbraw/zinc/15/73/00/325157300.db2.gz BQGUDNYGEOEJLH-AWEZNQCLSA-N 1 0 361.320 2.231 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000087375516 325280601 /nfs/dbraw/zinc/28/06/01/325280601.db2.gz SFLCAYZSYZBUAE-MRXNPFEDSA-N 1 0 361.442 2.145 20 5 FEBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cccc1[N+](=O)[O-] ZINC000090116126 325353891 /nfs/dbraw/zinc/35/38/91/325353891.db2.gz OORQAPAKQQEZCS-HIFRSBDPSA-N 1 0 357.414 2.483 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000107798616 325634802 /nfs/dbraw/zinc/63/48/02/325634802.db2.gz DSAGANLVXGUHBM-ROUUACIJSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000119777538 326197198 /nfs/dbraw/zinc/19/71/98/326197198.db2.gz FTBIORBQVVCDQF-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO C[NH+]1CCC(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000120105975 326230697 /nfs/dbraw/zinc/23/06/97/326230697.db2.gz CTSZAFOHUSZCDG-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120523245 326266026 /nfs/dbraw/zinc/26/60/26/326266026.db2.gz JGLMBQBQNRLIIF-AAEUAGOBSA-N 1 0 351.403 2.024 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(=O)OC ZINC000120852053 326293378 /nfs/dbraw/zinc/29/33/78/326293378.db2.gz WSKNORVWTDYFPS-UHFFFAOYSA-N 1 0 363.414 2.053 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000121565864 326348200 /nfs/dbraw/zinc/34/82/00/326348200.db2.gz VVTPHJAHBUOHTL-HNNXBMFYSA-N 1 0 374.441 2.094 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCCC[NH+]1CCOCC1 ZINC000121874642 326373055 /nfs/dbraw/zinc/37/30/55/326373055.db2.gz UGNKYOVDLPGOND-UHFFFAOYSA-N 1 0 369.393 2.435 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000121912342 326375260 /nfs/dbraw/zinc/37/52/60/326375260.db2.gz DXQAPVPQELWQQF-ZDUSSCGKSA-N 1 0 364.446 2.243 20 5 FEBDRO Cc1ccc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000126807288 326495548 /nfs/dbraw/zinc/49/55/48/326495548.db2.gz UVMDHYVCJWTTRX-MRXNPFEDSA-N 1 0 373.409 2.457 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000126928513 326497575 /nfs/dbraw/zinc/49/75/75/326497575.db2.gz NXYWNQMNQKEQFG-UHFFFAOYSA-N 1 0 374.441 2.236 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000128747922 326529209 /nfs/dbraw/zinc/52/92/09/326529209.db2.gz DFUWUPXMWFNJCA-UHFFFAOYSA-N 1 0 363.462 2.410 20 5 FEBDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000129994435 326549722 /nfs/dbraw/zinc/54/97/22/326549722.db2.gz FYQXQUIKKOJTNR-UHFFFAOYSA-N 1 0 357.370 2.029 20 5 FEBDRO O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000133084622 326602891 /nfs/dbraw/zinc/60/28/91/326602891.db2.gz AFWKQYHNNNMFGM-CYBMUJFWSA-N 1 0 365.455 2.060 20 5 FEBDRO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000137118531 326658077 /nfs/dbraw/zinc/65/80/77/326658077.db2.gz ZUANLDBQNBGBHY-KRWDZBQOSA-N 1 0 359.426 2.354 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151637163 326687415 /nfs/dbraw/zinc/68/74/15/326687415.db2.gz IKKPPAXTJWHRLC-GFCCVEGCSA-N 1 0 373.862 2.355 20 5 FEBDRO CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000151697098 326688823 /nfs/dbraw/zinc/68/88/23/326688823.db2.gz FKGLWZLKCSCJRL-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000153641492 326738521 /nfs/dbraw/zinc/73/85/21/326738521.db2.gz LPHJGWATBQWPBC-BETUJISGSA-N 1 0 371.441 2.279 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160008300 326950412 /nfs/dbraw/zinc/95/04/12/326950412.db2.gz QVWZIRHSYBLGCQ-UHFFFAOYSA-N 1 0 367.471 2.141 20 5 FEBDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160999391 326984645 /nfs/dbraw/zinc/98/46/45/326984645.db2.gz OXXMHLABPHLTJM-QGZVFWFLSA-N 1 0 370.409 2.051 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000161084631 326987561 /nfs/dbraw/zinc/98/75/61/326987561.db2.gz KDBAHKTYDRXLJZ-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000162081202 327016312 /nfs/dbraw/zinc/01/63/12/327016312.db2.gz QWIMZQDPFNZBBX-AWEZNQCLSA-N 1 0 371.441 2.490 20 5 FEBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000162797651 327034945 /nfs/dbraw/zinc/03/49/45/327034945.db2.gz YDBKQMYLHVVCCD-SECBINFHSA-N 1 0 361.345 2.452 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163686900 327056894 /nfs/dbraw/zinc/05/68/94/327056894.db2.gz TULRGNOZXQLDQY-ONGXEEELSA-N 1 0 356.220 2.414 20 5 FEBDRO C[C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC[NH2+]CC1 ZINC000165538687 327078412 /nfs/dbraw/zinc/07/84/12/327078412.db2.gz AMLVNSBGGUPBOD-HNNXBMFYSA-N 1 0 360.458 2.269 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713253 327095194 /nfs/dbraw/zinc/09/51/94/327095194.db2.gz RAONSGDHWVFUDW-AWEZNQCLSA-N 1 0 362.430 2.102 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171368677 327135176 /nfs/dbraw/zinc/13/51/76/327135176.db2.gz SMZKQHQOIMRJHB-HNNXBMFYSA-N 1 0 359.430 2.475 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171562514 327145697 /nfs/dbraw/zinc/14/56/97/327145697.db2.gz NCPXUKUTPSQPOT-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171708415 327156602 /nfs/dbraw/zinc/15/66/02/327156602.db2.gz OOPFYEPFZWPAOV-OAHLLOKOSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172347305 327197159 /nfs/dbraw/zinc/19/71/59/327197159.db2.gz UBSYKDCJPQJDQT-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1 ZINC000173118412 327236195 /nfs/dbraw/zinc/23/61/95/327236195.db2.gz MAPWMHPAKCBKTH-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173247659 327243934 /nfs/dbraw/zinc/24/39/34/327243934.db2.gz JPPYPIXQADAPGZ-JQWIXIFHSA-N 1 0 361.851 2.209 20 5 FEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173277713 327246134 /nfs/dbraw/zinc/24/61/34/327246134.db2.gz PZYIRHAYDQFOOP-JQWIXIFHSA-N 1 0 361.851 2.351 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000173842108 327288352 /nfs/dbraw/zinc/28/83/52/327288352.db2.gz XNXVJSJHGONKFZ-DZGCQCFKSA-N 1 0 353.444 2.231 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000173864640 327289589 /nfs/dbraw/zinc/28/95/89/327289589.db2.gz FKEDALKAYKEVCV-AWEZNQCLSA-N 1 0 353.444 2.138 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906290 327293357 /nfs/dbraw/zinc/29/33/57/327293357.db2.gz TYUDWWQUKPPIOF-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000174320221 327319618 /nfs/dbraw/zinc/31/96/18/327319618.db2.gz LBWSLJUBHOPITL-ZDUSSCGKSA-N 1 0 362.386 2.369 20 5 FEBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1CCOc1ccccc1 ZINC000174467001 327328708 /nfs/dbraw/zinc/32/87/08/327328708.db2.gz HWDFOKKSWRQFFM-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174708720 327344643 /nfs/dbraw/zinc/34/46/43/327344643.db2.gz KZJCKZNTGMGTDI-WMZOPIPTSA-N 1 0 360.414 2.388 20 5 FEBDRO Cc1ccc(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000174737175 327347124 /nfs/dbraw/zinc/34/71/24/327347124.db2.gz BQXMYPAIAKKCPY-QGZVFWFLSA-N 1 0 374.441 2.312 20 5 FEBDRO COc1ccc(C(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174814498 327352863 /nfs/dbraw/zinc/35/28/63/327352863.db2.gz SFOQTDRYTRDHQE-UHFFFAOYSA-N 1 0 358.398 2.395 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828241 327353753 /nfs/dbraw/zinc/35/37/53/327353753.db2.gz CTAFZQYGACHVCI-UHFFFAOYSA-N 1 0 353.423 2.123 20 5 FEBDRO CC[C@H](C)N(CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866534 327356160 /nfs/dbraw/zinc/35/61/60/327356160.db2.gz OFMAKHHVZGHSRE-ZDUSSCGKSA-N 1 0 370.413 2.329 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000174964662 327363891 /nfs/dbraw/zinc/36/38/91/327363891.db2.gz BPTZBGFHIXHCLG-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000177521454 327528144 /nfs/dbraw/zinc/52/81/44/327528144.db2.gz WIJPAQUVMRXDGJ-CZUORRHYSA-N 1 0 357.414 2.383 20 5 FEBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n1 ZINC000261878152 328826425 /nfs/dbraw/zinc/82/64/25/328826425.db2.gz VYZDGMWPBPCBCS-ZETCQYMHSA-N 1 0 358.301 2.405 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261891833 328827348 /nfs/dbraw/zinc/82/73/48/328827348.db2.gz VGAVLYQXAWVOIT-OCCSQVGLSA-N 1 0 367.471 2.422 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264217321 329001099 /nfs/dbraw/zinc/00/10/99/329001099.db2.gz VCFGDOOZUPLIPW-UHFFFAOYSA-N 1 0 372.429 2.395 20 5 FEBDRO Cc1nn(C)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000264253037 329004914 /nfs/dbraw/zinc/00/49/14/329004914.db2.gz LDCHHRZETBDVTO-UHFFFAOYSA-N 1 0 359.430 2.206 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264668561 329046586 /nfs/dbraw/zinc/04/65/86/329046586.db2.gz ZYJHYTPFOJCJDS-ZDUSSCGKSA-N 1 0 351.378 2.200 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000265531919 329136341 /nfs/dbraw/zinc/13/63/41/329136341.db2.gz UXAXSTQMEGODQT-UHFFFAOYSA-N 1 0 350.375 2.052 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265982065 329179126 /nfs/dbraw/zinc/17/91/26/329179126.db2.gz ZERXISPRBAGUFG-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000265998471 329180248 /nfs/dbraw/zinc/18/02/48/329180248.db2.gz ORLXNSKAPBYVHQ-XOPPTJLZSA-N 1 0 363.414 2.334 20 5 FEBDRO COc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000266095730 329189841 /nfs/dbraw/zinc/18/98/41/329189841.db2.gz GHGITGCUWSNBHW-UHFFFAOYSA-N 1 0 372.429 2.018 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000266180473 329197700 /nfs/dbraw/zinc/19/77/00/329197700.db2.gz XRKJFXRZMIYZQC-CYBMUJFWSA-N 1 0 355.460 2.160 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000266203907 329199949 /nfs/dbraw/zinc/19/99/49/329199949.db2.gz HZONVNOTZNGMSC-ZDUSSCGKSA-N 1 0 359.382 2.135 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266229054 329202713 /nfs/dbraw/zinc/20/27/13/329202713.db2.gz TXDDTTOZKSJKQI-HNNXBMFYSA-N 1 0 369.425 2.047 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000266525609 329232806 /nfs/dbraw/zinc/23/28/06/329232806.db2.gz BECHKYATCMYMMA-PKOBYXMFSA-N 1 0 360.410 2.390 20 5 FEBDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266770349 329258382 /nfs/dbraw/zinc/25/83/82/329258382.db2.gz JESKMPASQROVNF-QMTHXVAHSA-N 1 0 358.320 2.429 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000267074281 329289330 /nfs/dbraw/zinc/28/93/30/329289330.db2.gz FDPXLMVJNOKKAB-HNNXBMFYSA-N 1 0 355.485 2.484 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCSC1 ZINC000267136234 329295483 /nfs/dbraw/zinc/29/54/83/329295483.db2.gz SRJFNPDXDPVNFX-QGZVFWFLSA-N 1 0 364.471 2.336 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000267189029 329300756 /nfs/dbraw/zinc/30/07/56/329300756.db2.gz BAODBHGVCNSPAJ-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267340197 329316603 /nfs/dbraw/zinc/31/66/03/329316603.db2.gz SSPIRILMNUJNHG-HNNXBMFYSA-N 1 0 357.863 2.344 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369641 329320094 /nfs/dbraw/zinc/32/00/94/329320094.db2.gz FUJMOPOLINRSLX-YJBOKZPZSA-N 1 0 371.441 2.208 20 5 FEBDRO C[C@](C[NH3+])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000269216784 329497214 /nfs/dbraw/zinc/49/72/14/329497214.db2.gz PSWMPZIWVPQVNZ-CYBMUJFWSA-N 1 0 360.183 2.354 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCC(N)=O)CC1 ZINC000271089002 329661049 /nfs/dbraw/zinc/66/10/49/329661049.db2.gz HASJLMLMMYIEPR-UHFFFAOYSA-N 1 0 362.430 2.209 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000271965230 329741050 /nfs/dbraw/zinc/74/10/50/329741050.db2.gz GNRXTMWXNVSKOM-ZFWWWQNUSA-N 1 0 374.846 2.074 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000272354590 329773419 /nfs/dbraw/zinc/77/34/19/329773419.db2.gz RDDSWLBWGCKZCM-ZDUSSCGKSA-N 1 0 355.460 2.320 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272612550 329797169 /nfs/dbraw/zinc/79/71/69/329797169.db2.gz ZSHRXADZMQBRGJ-UHFFFAOYSA-N 1 0 372.853 2.010 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273866401 329898509 /nfs/dbraw/zinc/89/85/09/329898509.db2.gz NKLCFIWBJLEMSU-UHFFFAOYSA-N 1 0 355.410 2.048 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274037360 329910398 /nfs/dbraw/zinc/91/03/98/329910398.db2.gz MZBHILJITOBGKZ-HZPDHXFCSA-N 1 0 364.471 2.045 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000274068088 329912817 /nfs/dbraw/zinc/91/28/17/329912817.db2.gz OPWQSCGQOIONPW-UHFFFAOYSA-N 1 0 359.373 2.303 20 5 FEBDRO CCc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275060160 330006578 /nfs/dbraw/zinc/00/65/78/330006578.db2.gz VXOJHDZZNDUSON-AWEZNQCLSA-N 1 0 371.441 2.117 20 5 FEBDRO CC(C)[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275485851 330054484 /nfs/dbraw/zinc/05/44/84/330054484.db2.gz OLAOORGEMQVSOW-UHFFFAOYSA-N 1 0 352.410 2.479 20 5 FEBDRO Cc1[nH]nc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746178 330084222 /nfs/dbraw/zinc/08/42/22/330084222.db2.gz UGIPGSFXZOVCHE-GFCCVEGCSA-N 1 0 358.402 2.097 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853170 330096585 /nfs/dbraw/zinc/09/65/85/330096585.db2.gz SCQJYSLQMWQNPX-UONOGXRCSA-N 1 0 364.446 2.142 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276243849 330132897 /nfs/dbraw/zinc/13/28/97/330132897.db2.gz PNUCUPZKIKRQGF-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055209 330211947 /nfs/dbraw/zinc/21/19/47/330211947.db2.gz OIDJJBCRCGQDOJ-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367074159 330213940 /nfs/dbraw/zinc/21/39/40/330213940.db2.gz NWWZVYWQRLMGAW-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433137977 330272675 /nfs/dbraw/zinc/27/26/75/330272675.db2.gz QLMBHJKOTSETGC-MRXNPFEDSA-N 1 0 367.471 2.331 20 5 FEBDRO C[C@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158576 330273977 /nfs/dbraw/zinc/27/39/77/330273977.db2.gz KAONZHUYWIONEC-JOYOIKCWSA-N 1 0 372.219 2.310 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247559984 549357154 /nfs/dbraw/zinc/35/71/54/549357154.db2.gz ZNRFJFZCTLCFQF-JSGCOSHPSA-N 1 0 372.429 2.039 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155556554 545542463 /nfs/dbraw/zinc/54/24/63/545542463.db2.gz KCXDKUOWERRCOQ-CJNGLKHVSA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000155662306 545555528 /nfs/dbraw/zinc/55/55/28/545555528.db2.gz GRXFTGRTYADRRD-GASCZTMLSA-N 1 0 360.458 2.362 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156739029 545653901 /nfs/dbraw/zinc/65/39/01/545653901.db2.gz DORRYTFECQBDFW-HIFRSBDPSA-N 1 0 362.430 2.030 20 5 FEBDRO CCOCCO[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157634397 545763615 /nfs/dbraw/zinc/76/36/15/545763615.db2.gz JNQXTAXYCMCGIM-KBPBESRZSA-N 1 0 351.403 2.049 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158407653 545858310 /nfs/dbraw/zinc/85/83/10/545858310.db2.gz FEDOAPYAXYIXQU-HIFRSBDPSA-N 1 0 357.414 2.193 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000158964019 545909335 /nfs/dbraw/zinc/90/93/35/545909335.db2.gz IOBXKVRVUDBTOL-HNNXBMFYSA-N 1 0 367.471 2.074 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159845459 545984901 /nfs/dbraw/zinc/98/49/01/545984901.db2.gz FIBNAEGSDFAVAM-KRWDZBQOSA-N 1 0 370.453 2.353 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160132701 546010331 /nfs/dbraw/zinc/01/03/31/546010331.db2.gz XMYACSYDSZCMPW-AWEZNQCLSA-N 1 0 353.444 2.234 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160212547 546017886 /nfs/dbraw/zinc/01/78/86/546017886.db2.gz VDWGDFAACFXZON-HNNXBMFYSA-N 1 0 369.487 2.321 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000160787866 546072353 /nfs/dbraw/zinc/07/23/53/546072353.db2.gz SGZJPLCEQRXRTR-QGZVFWFLSA-N 1 0 369.425 2.062 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788481 546350750 /nfs/dbraw/zinc/35/07/50/546350750.db2.gz KMHXIZOKUQCDJH-OAHLLOKOSA-N 1 0 371.441 2.474 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175938139 546376022 /nfs/dbraw/zinc/37/60/22/546376022.db2.gz KYDXGCZGNDHUAC-UONOGXRCSA-N 1 0 350.419 2.275 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176000908 546388290 /nfs/dbraw/zinc/38/82/90/546388290.db2.gz LLOVBOSSFRPBTM-CQSZACIVSA-N 1 0 364.446 2.374 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176709662 546478899 /nfs/dbraw/zinc/47/88/99/546478899.db2.gz MWVOGASPHZHCJH-NSHDSACASA-N 1 0 361.851 2.129 20 5 FEBDRO CN(CC[NH+](C)C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000176803796 546490705 /nfs/dbraw/zinc/49/07/05/546490705.db2.gz RFROVXIGTSAGSO-UHFFFAOYSA-N 1 0 362.352 2.436 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176981474 546518229 /nfs/dbraw/zinc/51/82/29/546518229.db2.gz HVKQVCJDHCZDQX-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@@H+]1C1CC1 ZINC000177142654 546553769 /nfs/dbraw/zinc/55/37/69/546553769.db2.gz KTDXFAVYKSMJFE-QWHCGFSZSA-N 1 0 355.398 2.136 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000177313931 546591898 /nfs/dbraw/zinc/59/18/98/546591898.db2.gz MEWGNEJIERNNTL-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000481038703 561223614 /nfs/dbraw/zinc/22/36/14/561223614.db2.gz QOHNEFPCXGVPTD-UHFFFAOYSA-N 1 0 362.361 2.473 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000177759152 546681788 /nfs/dbraw/zinc/68/17/88/546681788.db2.gz QKGAZLLPURPZPJ-KGLIPLIRSA-N 1 0 363.414 2.067 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505932 546966582 /nfs/dbraw/zinc/96/65/82/546966582.db2.gz YGCQKEKBFPFDPB-CQSZACIVSA-N 1 0 370.413 2.069 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000180753701 547174268 /nfs/dbraw/zinc/17/42/68/547174268.db2.gz ZWHKBMFAZZHCLG-UHFFFAOYSA-N 1 0 351.451 2.303 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000181029157 547233474 /nfs/dbraw/zinc/23/34/74/547233474.db2.gz IZIWXUPPWGDUOP-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181257429 547281580 /nfs/dbraw/zinc/28/15/80/547281580.db2.gz HMKSVNQTEPHGTH-CQSZACIVSA-N 1 0 366.368 2.490 20 5 FEBDRO COC(=O)COc1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000483262417 561272194 /nfs/dbraw/zinc/27/21/94/561272194.db2.gz AAOFHOJOTKDAKT-UHFFFAOYSA-N 1 0 365.430 2.109 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181349590 547298597 /nfs/dbraw/zinc/29/85/97/547298597.db2.gz ZBNNRJIMPBSJKM-IUODEOHRSA-N 1 0 373.409 2.412 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000181745796 547373338 /nfs/dbraw/zinc/37/33/38/547373338.db2.gz MIDCTNGZUAXHMG-GJZGRUSLSA-N 1 0 369.418 2.269 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000182768959 547550270 /nfs/dbraw/zinc/55/02/70/547550270.db2.gz QIONLDAXQXAUPR-HNNXBMFYSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000484048238 561290475 /nfs/dbraw/zinc/29/04/75/561290475.db2.gz VLQDEAJWGRICMI-YVEFUNNKSA-N 1 0 371.441 2.266 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000484171665 561292836 /nfs/dbraw/zinc/29/28/36/561292836.db2.gz KFWFEYBMUMHCAH-MWLCHTKSSA-N 1 0 356.220 2.096 20 5 FEBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000183554341 547680487 /nfs/dbraw/zinc/68/04/87/547680487.db2.gz MTEDFQVNPJJONE-UHFFFAOYSA-N 1 0 370.413 2.330 20 5 FEBDRO O=C(C[NH2+][C@H](CCO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183720331 547706743 /nfs/dbraw/zinc/70/67/43/547706743.db2.gz XDAYOSYAIYJCDZ-QGZVFWFLSA-N 1 0 361.442 2.405 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000183763840 547714887 /nfs/dbraw/zinc/71/48/87/547714887.db2.gz SIDCHUQQOWNHKP-INIZCTEOSA-N 1 0 355.394 2.091 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000184379359 547817346 /nfs/dbraw/zinc/81/73/46/547817346.db2.gz AXJBXNZXFRZGRH-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000184412987 547823396 /nfs/dbraw/zinc/82/33/96/547823396.db2.gz CDRSJBSJIPLMCW-DYVFJYSZSA-N 1 0 364.446 2.044 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000184528051 547841197 /nfs/dbraw/zinc/84/11/97/547841197.db2.gz BWVWCRIDYMSAFR-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185169666 547945894 /nfs/dbraw/zinc/94/58/94/547945894.db2.gz XHWGAVXQDOXZJY-HNNXBMFYSA-N 1 0 369.425 2.309 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185237385 547957115 /nfs/dbraw/zinc/95/71/15/547957115.db2.gz OBMFKROKEBHMLF-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000185818836 548039903 /nfs/dbraw/zinc/03/99/03/548039903.db2.gz NYEWSOYGNMEAJS-AWEZNQCLSA-N 1 0 353.444 2.234 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186016751 548073554 /nfs/dbraw/zinc/07/35/54/548073554.db2.gz CXOMXPYPAKEJEX-UHFFFAOYSA-N 1 0 355.460 2.337 20 5 FEBDRO COc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])cc1OC ZINC000186184110 548095810 /nfs/dbraw/zinc/09/58/10/548095810.db2.gz WSGOMLJTJBZRRQ-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195666934 548656811 /nfs/dbraw/zinc/65/68/11/548656811.db2.gz PXFKIQSLKQFPFR-CHWSQXEVSA-N 1 0 370.475 2.035 20 5 FEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000236567460 548766973 /nfs/dbraw/zinc/76/69/73/548766973.db2.gz DRISHRJWOMSEEL-SNVBAGLBSA-N 1 0 356.220 2.477 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236763330 548777887 /nfs/dbraw/zinc/77/78/87/548777887.db2.gz OWHDQPDJKMVAHK-CYBMUJFWSA-N 1 0 351.403 2.221 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245540780 548941875 /nfs/dbraw/zinc/94/18/75/548941875.db2.gz IOWWPAVPKHHNLP-ZENOOKHLSA-N 1 0 365.430 2.413 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246430673 549130635 /nfs/dbraw/zinc/13/06/35/549130635.db2.gz AZBMWQGLQFFYJX-XEZPLFJOSA-N 1 0 363.414 2.431 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000246464942 549139119 /nfs/dbraw/zinc/13/91/19/549139119.db2.gz NROSFTDQMQBPLR-BZUAXINKSA-N 1 0 354.451 2.068 20 5 FEBDRO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488996497 561401244 /nfs/dbraw/zinc/40/12/44/561401244.db2.gz YOFJUYQWEPJZDN-AWEZNQCLSA-N 1 0 357.414 2.480 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248571811 549460922 /nfs/dbraw/zinc/46/09/22/549460922.db2.gz MIDCTNGZUAXHMG-CABCVRRESA-N 1 0 369.418 2.269 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000249074455 549547070 /nfs/dbraw/zinc/54/70/70/549547070.db2.gz QUYLBFZUTDALBZ-DYEKYZERSA-N 1 0 351.403 2.077 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249160132 549562532 /nfs/dbraw/zinc/56/25/32/549562532.db2.gz ZOYXHHVRZOJCHP-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000249734457 549621135 /nfs/dbraw/zinc/62/11/35/549621135.db2.gz CXNFDUNTVYWELB-QWHCGFSZSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000252012485 549661746 /nfs/dbraw/zinc/66/17/46/549661746.db2.gz XUEJIGSJNFNCPA-MLGOLLRUSA-N 1 0 351.403 2.289 20 5 FEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253552280 549695275 /nfs/dbraw/zinc/69/52/75/549695275.db2.gz YTEKONVNLVVDCG-MEDUHNTESA-N 1 0 358.398 2.307 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253554167 549695427 /nfs/dbraw/zinc/69/54/27/549695427.db2.gz LOZJPRUKKXGXKT-YVEFUNNKSA-N 1 0 370.409 2.405 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000261740399 549749367 /nfs/dbraw/zinc/74/93/67/549749367.db2.gz IISNZPJMOLYWKZ-UHFFFAOYSA-N 1 0 356.382 2.064 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000262048107 549783986 /nfs/dbraw/zinc/78/39/86/549783986.db2.gz QRSOBVMOVUNPNF-ZDUSSCGKSA-N 1 0 363.805 2.077 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000262229782 549800585 /nfs/dbraw/zinc/80/05/85/549800585.db2.gz NRSIYDZDSVXXCU-KGLIPLIRSA-N 1 0 357.414 2.085 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262305974 549808802 /nfs/dbraw/zinc/80/88/02/549808802.db2.gz YDXLDVUQXUSJRZ-INIZCTEOSA-N 1 0 361.423 2.069 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000490653840 561436827 /nfs/dbraw/zinc/43/68/27/561436827.db2.gz YQGOHNXAXZSJKG-CQSZACIVSA-N 1 0 372.429 2.027 20 5 FEBDRO C[NH+]1CCN(CCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000263754185 549931174 /nfs/dbraw/zinc/93/11/74/549931174.db2.gz PORUXBIUIZYWLE-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000263923350 549955559 /nfs/dbraw/zinc/95/55/59/549955559.db2.gz FKGXZGQRJUAUDL-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO CCN(CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000268774545 550114793 /nfs/dbraw/zinc/11/47/93/550114793.db2.gz GJTDUYNGDCZTIB-INIZCTEOSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000269185676 550164514 /nfs/dbraw/zinc/16/45/14/550164514.db2.gz LBTUFDMFIAWQNR-IAGOWNOFSA-N 1 0 362.430 2.403 20 5 FEBDRO CNC(=O)c1ccc(NC[C@@](C)([NH3+])Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000269956608 550239392 /nfs/dbraw/zinc/23/93/92/550239392.db2.gz KOJOKNFYYIMTDI-IBGZPJMESA-N 1 0 372.425 2.335 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000493686748 561457630 /nfs/dbraw/zinc/45/76/30/561457630.db2.gz VEXDCMUAZMQZLX-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270637729 550291786 /nfs/dbraw/zinc/29/17/86/550291786.db2.gz IFRPFJXFYYHMTH-HZPDHXFCSA-N 1 0 366.487 2.209 20 5 FEBDRO CS[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH+](C)C ZINC000270683060 550296371 /nfs/dbraw/zinc/29/63/71/550296371.db2.gz VJVUMYHSRAUSHQ-ZIAGYGMSSA-N 1 0 363.443 2.122 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1F ZINC000271305814 550362901 /nfs/dbraw/zinc/36/29/01/550362901.db2.gz CXNKLCFBLJPLOM-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271751404 550399842 /nfs/dbraw/zinc/39/98/42/550399842.db2.gz YUJUOVYZELJVDJ-AWEZNQCLSA-N 1 0 364.446 2.456 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccsc1 ZINC000272175409 550426856 /nfs/dbraw/zinc/42/68/56/550426856.db2.gz COFSCVOLKWBCAS-ZDUSSCGKSA-N 1 0 363.395 2.418 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@H]21 ZINC000272287616 550434518 /nfs/dbraw/zinc/43/45/18/550434518.db2.gz UYMDHVZCULTBQV-GXFFZTMASA-N 1 0 361.427 2.156 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272311904 550436909 /nfs/dbraw/zinc/43/69/09/550436909.db2.gz IJFFGKOLARZCCV-ZWNOBZJWSA-N 1 0 363.443 2.402 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)CC1 ZINC000272437499 550448519 /nfs/dbraw/zinc/44/85/19/550448519.db2.gz OWQILODIWPRCRK-ZDUSSCGKSA-N 1 0 361.398 2.127 20 5 FEBDRO COc1cc(C[NH2+]CCc2nc(C)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272585666 550459152 /nfs/dbraw/zinc/45/91/52/550459152.db2.gz YYILEFZXJCMDJC-UHFFFAOYSA-N 1 0 371.344 2.006 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000273724244 550509141 /nfs/dbraw/zinc/50/91/41/550509141.db2.gz SEHJFSLEMIKBCL-HNNXBMFYSA-N 1 0 367.471 2.088 20 5 FEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274619860 550546377 /nfs/dbraw/zinc/54/63/77/550546377.db2.gz FLHIMOMFGNHXLF-OAHLLOKOSA-N 1 0 359.430 2.215 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277739184 550708666 /nfs/dbraw/zinc/70/86/66/550708666.db2.gz YBOODGWFHHNMTC-XVKPBYJWSA-N 1 0 360.183 2.224 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277732050 550707627 /nfs/dbraw/zinc/70/76/27/550707627.db2.gz OHJFJZVUQFIQLR-CHWSQXEVSA-N 1 0 374.445 2.391 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000278227546 550762902 /nfs/dbraw/zinc/76/29/02/550762902.db2.gz YEMQGZYBBZNZNF-IUODEOHRSA-N 1 0 360.370 2.483 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495689 550792617 /nfs/dbraw/zinc/79/26/17/550792617.db2.gz AAHZNUZEOPYDTR-LZQZEXGQSA-N 1 0 371.437 2.421 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278671859 550809933 /nfs/dbraw/zinc/80/99/33/550809933.db2.gz BMUSXHSVCQILML-AWEZNQCLSA-N 1 0 357.414 2.446 20 5 FEBDRO COC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279114387 550855561 /nfs/dbraw/zinc/85/55/61/550855561.db2.gz SWZITRSTBDWLOR-HOCLYGCPSA-N 1 0 351.403 2.015 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000279154023 550859420 /nfs/dbraw/zinc/85/94/20/550859420.db2.gz HPFPYZBHVSQHDV-RYUDHWBXSA-N 1 0 352.410 2.355 20 5 FEBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251538 561485650 /nfs/dbraw/zinc/48/56/50/561485650.db2.gz WKCZGMUXPRNYPS-FZKQIMNGSA-N 1 0 363.414 2.376 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279286904 550873753 /nfs/dbraw/zinc/87/37/53/550873753.db2.gz KSDAKYXSMHPBLO-SJKOYZFVSA-N 1 0 363.414 2.431 20 5 FEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279665383 550914229 /nfs/dbraw/zinc/91/42/29/550914229.db2.gz GYZCEMZLOXMULS-UKRRQHHQSA-N 1 0 362.430 2.160 20 5 FEBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000279804910 550930835 /nfs/dbraw/zinc/93/08/35/550930835.db2.gz NXTVJVMTVLRLAW-OAHLLOKOSA-N 1 0 371.441 2.343 20 5 FEBDRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969347 550948149 /nfs/dbraw/zinc/94/81/49/550948149.db2.gz YUJKKLYQPZSVKY-HBUWYVDXSA-N 1 0 363.414 2.192 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000495657241 561489952 /nfs/dbraw/zinc/48/99/52/561489952.db2.gz SSVBEMVFRBSPCM-HZPDHXFCSA-N 1 0 362.455 2.054 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251012 550974447 /nfs/dbraw/zinc/97/44/47/550974447.db2.gz BXXDEGBXXNAZIM-SUNYJGFJSA-N 1 0 363.414 2.110 20 5 FEBDRO CCC(=O)c1ccc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c([N+](=O)[O-])c1 ZINC000280743223 551027388 /nfs/dbraw/zinc/02/73/88/551027388.db2.gz OPMYZMWCQQJQBN-MRXNPFEDSA-N 1 0 360.458 2.404 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)n1 ZINC000281220646 551074963 /nfs/dbraw/zinc/07/49/63/551074963.db2.gz RDDPPYNIUMZZGC-UHFFFAOYSA-N 1 0 366.418 2.078 20 5 FEBDRO COc1cc(C(=O)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000281750353 551138836 /nfs/dbraw/zinc/13/88/36/551138836.db2.gz PKIMRPCDUGPSGO-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465689 551233113 /nfs/dbraw/zinc/23/31/13/551233113.db2.gz NIZSYUVDOHATOL-YYQUZTFQSA-N 1 0 364.398 2.157 20 5 FEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000283982598 551461800 /nfs/dbraw/zinc/46/18/00/551461800.db2.gz FUEWKUXFKNMPTC-HOCLYGCPSA-N 1 0 353.375 2.159 20 5 FEBDRO C[C@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139863 551490882 /nfs/dbraw/zinc/49/08/82/551490882.db2.gz ORMBFVUKJXLJBF-ZDUSSCGKSA-N 1 0 357.414 2.259 20 5 FEBDRO CN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271740 551512354 /nfs/dbraw/zinc/51/23/54/551512354.db2.gz MUXWWSDOZLCLJW-AEFFLSMTSA-N 1 0 354.410 2.229 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000284433821 551548242 /nfs/dbraw/zinc/54/82/42/551548242.db2.gz YTTAEWMLLLVZFE-HOJAQTOUSA-N 1 0 371.437 2.370 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000498465969 561524919 /nfs/dbraw/zinc/52/49/19/561524919.db2.gz PMTVQTSDMYQGEY-AWEZNQCLSA-N 1 0 351.451 2.118 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000498556499 561528220 /nfs/dbraw/zinc/52/82/20/561528220.db2.gz QHYBHGJLYTYFBM-ZIAGYGMSSA-N 1 0 372.425 2.463 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000498638541 561530689 /nfs/dbraw/zinc/53/06/89/561530689.db2.gz MPTYBRPIKHJNFR-ZDUSSCGKSA-N 1 0 353.444 2.047 20 5 FEBDRO Cc1cc([N+](=O)[O-])cn(CCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000285140905 551710141 /nfs/dbraw/zinc/71/01/41/551710141.db2.gz LBXPLCYMXRPPPC-UHFFFAOYSA-N 1 0 356.426 2.277 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285470773 551761150 /nfs/dbraw/zinc/76/11/50/551761150.db2.gz QFEXABQCWHHYRJ-IAOVAPTHSA-N 1 0 362.430 2.079 20 5 FEBDRO CN(C)C(=O)OC[C@@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285502630 551766338 /nfs/dbraw/zinc/76/63/38/551766338.db2.gz NHBBUEWVIWIQSK-ZDUSSCGKSA-N 1 0 364.402 2.086 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285665556 551791841 /nfs/dbraw/zinc/79/18/41/551791841.db2.gz PYFDJZXTAFUTNR-ZIAGYGMSSA-N 1 0 355.460 2.259 20 5 FEBDRO COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Br)c1 ZINC000286338723 551876142 /nfs/dbraw/zinc/87/61/42/551876142.db2.gz DZNAGGQTXIAJLE-UHFFFAOYSA-N 1 0 355.192 2.352 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286366420 551879131 /nfs/dbraw/zinc/87/91/31/551879131.db2.gz CJJBCGURGTXLEO-XJKSGUPXSA-N 1 0 362.430 2.372 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286436447 551885004 /nfs/dbraw/zinc/88/50/04/551885004.db2.gz NYBOHOWYHUHRGX-JSGCOSHPSA-N 1 0 353.444 2.061 20 5 FEBDRO CC(=O)c1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000287146336 551969154 /nfs/dbraw/zinc/96/91/54/551969154.db2.gz GAXSCEYZEVCLGF-KRWDZBQOSA-N 1 0 360.458 2.404 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000499343025 561549358 /nfs/dbraw/zinc/54/93/58/561549358.db2.gz IERXVLUJKHKKDI-UHFFFAOYSA-N 1 0 352.341 2.405 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499464367 561551620 /nfs/dbraw/zinc/55/16/20/561551620.db2.gz NLUNSFNXQRXAAU-CABCVRRESA-N 1 0 371.441 2.221 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000288128239 552096359 /nfs/dbraw/zinc/09/63/59/552096359.db2.gz KMXHUZOMBXQMLH-ZBFHGGJFSA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288380327 552143905 /nfs/dbraw/zinc/14/39/05/552143905.db2.gz VICXAFKKJMASNM-PBHICJAKSA-N 1 0 371.441 2.269 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417529 552150116 /nfs/dbraw/zinc/15/01/16/552150116.db2.gz NQBQSSYOQJABEY-LJQANCHMSA-N 1 0 369.425 2.365 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288428718 552151703 /nfs/dbraw/zinc/15/17/03/552151703.db2.gz KNIXPKNYGSGHMW-BLLLJJGKSA-N 1 0 372.429 2.239 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000289350283 552305683 /nfs/dbraw/zinc/30/56/83/552305683.db2.gz JBRIIVKGHBOKCZ-CQSZACIVSA-N 1 0 355.460 2.007 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(=O)n1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289433918 552320922 /nfs/dbraw/zinc/32/09/22/552320922.db2.gz SKHDGRXLTRGNJI-QGZVFWFLSA-N 1 0 357.410 2.356 20 5 FEBDRO CCOCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289823457 552384365 /nfs/dbraw/zinc/38/43/65/552384365.db2.gz JJSNBMAURLDFOP-UHFFFAOYSA-N 1 0 350.156 2.326 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000290157551 552436005 /nfs/dbraw/zinc/43/60/05/552436005.db2.gz PARKTZNZUODVRG-UHFFFAOYSA-N 1 0 364.490 2.214 20 5 FEBDRO NC(=O)c1ccnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290589675 552503018 /nfs/dbraw/zinc/50/30/18/552503018.db2.gz XHRMHEZTAHLLRR-GFCCVEGCSA-N 1 0 361.427 2.399 20 5 FEBDRO C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290779416 552536903 /nfs/dbraw/zinc/53/69/03/552536903.db2.gz MRHVJIOQLAVMBD-AWEZNQCLSA-N 1 0 369.425 2.190 20 5 FEBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290914113 552560857 /nfs/dbraw/zinc/56/08/57/552560857.db2.gz HHHOZPVECFCWIY-HIFRSBDPSA-N 1 0 369.425 2.411 20 5 FEBDRO COc1cc(OCC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC000291116790 552588777 /nfs/dbraw/zinc/58/87/77/552588777.db2.gz UIAXGIBFCXNDKH-UHFFFAOYSA-N 1 0 373.365 2.103 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291618463 552644059 /nfs/dbraw/zinc/64/40/59/552644059.db2.gz BZTDPIDAGSPSHN-OAHLLOKOSA-N 1 0 373.862 2.273 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292171197 552701146 /nfs/dbraw/zinc/70/11/46/552701146.db2.gz PSAPJTMDYFXGQH-NVXWUHKLSA-N 1 0 350.415 2.083 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292274003 552711199 /nfs/dbraw/zinc/71/11/99/552711199.db2.gz QLZVWJWZDPXFMC-SFHVURJKSA-N 1 0 363.414 2.170 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000295045123 552953633 /nfs/dbraw/zinc/95/36/33/552953633.db2.gz FEKHTBPEQOGAKE-ZDUSSCGKSA-N 1 0 359.373 2.133 20 5 FEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295165892 552965229 /nfs/dbraw/zinc/96/52/29/552965229.db2.gz STIGWSZPEUGKTC-HEWZJLJBSA-N 1 0 365.430 2.425 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000295340873 552990328 /nfs/dbraw/zinc/99/03/28/552990328.db2.gz PSPDIKOSBVBHOL-UHFFFAOYSA-N 1 0 367.833 2.493 20 5 FEBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502243564 561615087 /nfs/dbraw/zinc/61/50/87/561615087.db2.gz XXMPOOFJQIGCTO-WQVCFCJDSA-N 1 0 353.444 2.041 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000502524628 561620379 /nfs/dbraw/zinc/62/03/79/561620379.db2.gz IMBJZBPTQDMMTH-DLBZAZTESA-N 1 0 361.442 2.194 20 5 FEBDRO C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296643065 553192255 /nfs/dbraw/zinc/19/22/55/553192255.db2.gz CGOFLBONDSWDNY-LKSINWNRSA-N 1 0 355.460 2.431 20 5 FEBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296661418 553195064 /nfs/dbraw/zinc/19/50/64/553195064.db2.gz JXPDSBFPQVOWGA-KRWDZBQOSA-N 1 0 351.403 2.290 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855136 561628016 /nfs/dbraw/zinc/62/80/16/561628016.db2.gz JNOVKKNKCYTXHF-SCRDCRAPSA-N 1 0 351.403 2.071 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296937620 553232286 /nfs/dbraw/zinc/23/22/86/553232286.db2.gz XIRITZNFXHDBKI-CYBMUJFWSA-N 1 0 364.402 2.004 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@H](C)C1 ZINC000296966542 553236247 /nfs/dbraw/zinc/23/62/47/553236247.db2.gz CXHDBRYBAIPJQA-OCCSQVGLSA-N 1 0 355.460 2.165 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@H](C)C1 ZINC000296966556 553236265 /nfs/dbraw/zinc/23/62/65/553236265.db2.gz CXHDBRYBAIPJQA-TZMCWYRMSA-N 1 0 355.460 2.165 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297306813 553276129 /nfs/dbraw/zinc/27/61/29/553276129.db2.gz HUQOQDUYSWFOHC-UHFFFAOYSA-N 1 0 360.418 2.059 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297326016 553278650 /nfs/dbraw/zinc/27/86/50/553278650.db2.gz HKWFWDRSMFLKIT-CQSZACIVSA-N 1 0 350.419 2.126 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C2CCOCC2)CC1 ZINC000297403533 553287826 /nfs/dbraw/zinc/28/78/26/553287826.db2.gz FXTSKBZHGQMDPN-UHFFFAOYSA-N 1 0 372.425 2.453 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297442789 553292675 /nfs/dbraw/zinc/29/26/75/553292675.db2.gz RTRAAJHOJWWEKF-SFHVURJKSA-N 1 0 362.430 2.231 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297525531 553304374 /nfs/dbraw/zinc/30/43/74/553304374.db2.gz HWHBKKCQMKPLNL-LSDHHAIUSA-N 1 0 362.430 2.020 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000297711168 553328404 /nfs/dbraw/zinc/32/84/04/553328404.db2.gz BKEUVLNOAGKOLV-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000297925593 553358451 /nfs/dbraw/zinc/35/84/51/553358451.db2.gz VEIUSXHQZIBLAW-PHIMTYICSA-N 1 0 364.402 2.246 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000297924995 553358470 /nfs/dbraw/zinc/35/84/70/553358470.db2.gz ZMXBSWFRNYAUPO-VIFPVBQESA-N 1 0 357.208 2.431 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000298070558 553380125 /nfs/dbraw/zinc/38/01/25/553380125.db2.gz GZHYJJJWYSZWGK-VIFPVBQESA-N 1 0 362.308 2.024 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000298152819 553390883 /nfs/dbraw/zinc/39/08/83/553390883.db2.gz BEOIJURIMBCHTE-GOSISDBHSA-N 1 0 372.429 2.098 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000298152823 553391050 /nfs/dbraw/zinc/39/10/50/553391050.db2.gz BEOIJURIMBCHTE-SFHVURJKSA-N 1 0 372.429 2.098 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000299259411 553538328 /nfs/dbraw/zinc/53/83/28/553538328.db2.gz KFWHSUZCEPHVJQ-UHFFFAOYSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556729 553580850 /nfs/dbraw/zinc/58/08/50/553580850.db2.gz XEDSENBKKPJAHP-ZIAGYGMSSA-N 1 0 362.386 2.476 20 5 FEBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)N(C)C ZINC000299600260 553587240 /nfs/dbraw/zinc/58/72/40/553587240.db2.gz HGCHPCHRJHSPAO-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO Cc1nn(C)c(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301071541 553618954 /nfs/dbraw/zinc/61/89/54/553618954.db2.gz DCHOTQBNEFJQIV-KRWDZBQOSA-N 1 0 372.473 2.427 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301162604 553627601 /nfs/dbraw/zinc/62/76/01/553627601.db2.gz HQRIEHOPBJTVAH-GFCCVEGCSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000301266509 553637481 /nfs/dbraw/zinc/63/74/81/553637481.db2.gz PVCTXOXJDOFBKE-MNOVXSKESA-N 1 0 358.236 2.249 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301706072 553672904 /nfs/dbraw/zinc/67/29/04/553672904.db2.gz VMKUXHBJZXTDQB-GFCCVEGCSA-N 1 0 373.251 2.257 20 5 FEBDRO C[C@H]1CCC[C@@](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000302114461 553704917 /nfs/dbraw/zinc/70/49/17/553704917.db2.gz BYKGVRQAPFCTLC-BLLLJJGKSA-N 1 0 370.475 2.165 20 5 FEBDRO CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000302204321 553710211 /nfs/dbraw/zinc/71/02/11/553710211.db2.gz CJZRNIGAJYYSTQ-SJORKVTESA-N 1 0 357.414 2.476 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302428160 553716746 /nfs/dbraw/zinc/71/67/46/553716746.db2.gz KKZVUCPHQVNHMV-MNOVXSKESA-N 1 0 358.236 2.249 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+]2CCC1CC2 ZINC000507873495 561744295 /nfs/dbraw/zinc/74/42/95/561744295.db2.gz MXAQLFQSJZJNQM-NSHDSACASA-N 1 0 353.806 2.322 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000331031436 554203250 /nfs/dbraw/zinc/20/32/50/554203250.db2.gz GNGLHHJRJPFVRD-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331268776 554238932 /nfs/dbraw/zinc/23/89/32/554238932.db2.gz DWJKOYNSWVICEZ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CC(C)(C(=O)NC1CC[NH+](C2CCCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000331843600 554328911 /nfs/dbraw/zinc/32/89/11/554328911.db2.gz DYYHGEAEIRSKLI-UHFFFAOYSA-N 1 0 363.462 2.440 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954534 554351745 /nfs/dbraw/zinc/35/17/45/554351745.db2.gz TUTFEBGKHFKLGG-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000509451656 561800203 /nfs/dbraw/zinc/80/02/03/561800203.db2.gz PKOCOKCIXXYUTP-OAHLLOKOSA-N 1 0 350.419 2.182 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000332081942 554376606 /nfs/dbraw/zinc/37/66/06/554376606.db2.gz NHNFLNLCQIQELB-UKRRQHHQSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000332091776 554378728 /nfs/dbraw/zinc/37/87/28/554378728.db2.gz VVGJFHZTCWEVPU-ZBFHGGJFSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000332107845 554381671 /nfs/dbraw/zinc/38/16/71/554381671.db2.gz ZYDHARYODNMEIT-ZBFHGGJFSA-N 1 0 365.455 2.255 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000332197835 554399359 /nfs/dbraw/zinc/39/93/59/554399359.db2.gz DZHVPOUFNNPTIW-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000332247159 554408931 /nfs/dbraw/zinc/40/89/31/554408931.db2.gz XDOVDDFLVDTECH-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000609670321 554409292 /nfs/dbraw/zinc/40/92/92/554409292.db2.gz HZKGVAXDEQGZGU-UHFFFAOYSA-N 1 0 371.445 2.103 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253151 554410695 /nfs/dbraw/zinc/41/06/95/554410695.db2.gz MILHXGSESGUVKZ-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000510013248 561821998 /nfs/dbraw/zinc/82/19/98/561821998.db2.gz KCLYOKIAXWVATR-INIZCTEOSA-N 1 0 374.372 2.092 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000332423842 554443889 /nfs/dbraw/zinc/44/38/89/554443889.db2.gz SDNODFRUDKYFSB-KNCOVGOOSA-N 1 0 360.458 2.496 20 5 FEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510555706 561838544 /nfs/dbraw/zinc/83/85/44/561838544.db2.gz WJOXSYOOLNCGPC-MLGOLLRUSA-N 1 0 358.398 2.425 20 5 FEBDRO CCN1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000511240542 561862359 /nfs/dbraw/zinc/86/23/59/561862359.db2.gz LHVBPKDGYMZCRK-JTQLQIEISA-N 1 0 361.851 2.271 20 5 FEBDRO CC1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CC1 ZINC000361629374 554926923 /nfs/dbraw/zinc/92/69/23/554926923.db2.gz JJBWMHVNYZKMLN-UHFFFAOYSA-N 1 0 361.446 2.037 20 5 FEBDRO CCc1nc(CN2C[C@@H]3CN(c4ccc([N+](=O)[O-])cc4F)C[C@@H]3C2)no1 ZINC000361770911 554933585 /nfs/dbraw/zinc/93/35/85/554933585.db2.gz YNSULIGFADTCGH-TXEJJXNPSA-N 1 0 361.377 2.248 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361813404 554936256 /nfs/dbraw/zinc/93/62/56/554936256.db2.gz MLZCYNARBIPZAC-WDEREUQCSA-N 1 0 364.358 2.328 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362022776 554944681 /nfs/dbraw/zinc/94/46/81/554944681.db2.gz MSFKEDDPYMYREX-FZMZJTMJSA-N 1 0 373.862 2.271 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076559 554948068 /nfs/dbraw/zinc/94/80/68/554948068.db2.gz HDQFUXSBBQVXOB-ZIAGYGMSSA-N 1 0 355.398 2.137 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362396977 554969360 /nfs/dbraw/zinc/96/93/60/554969360.db2.gz QEYTZZJMICZCNU-KBPBESRZSA-N 1 0 365.455 2.300 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000363020783 555011839 /nfs/dbraw/zinc/01/18/39/555011839.db2.gz UPLUZQLSNMIELB-KBPBESRZSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2cncn2)CC1 ZINC000363103328 555030999 /nfs/dbraw/zinc/03/09/99/555030999.db2.gz HAQJCNXJHVLSKL-UHFFFAOYSA-N 1 0 358.402 2.160 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363118390 555034584 /nfs/dbraw/zinc/03/45/84/555034584.db2.gz XHYCJZPRJIRTFP-XEGUGMAKSA-N 1 0 351.353 2.429 20 5 FEBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711461 555169624 /nfs/dbraw/zinc/16/96/24/555169624.db2.gz JIBLHSVZCKSPMD-SCLBCKFNSA-N 1 0 372.381 2.420 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000512165353 561894573 /nfs/dbraw/zinc/89/45/73/561894573.db2.gz QFTNVEWKYDTLET-ZBFHGGJFSA-N 1 0 374.441 2.451 20 5 FEBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018959 555234884 /nfs/dbraw/zinc/23/48/84/555234884.db2.gz GZTLOCVPFCDGML-QZTJIDSGSA-N 1 0 374.441 2.399 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000364071430 555244708 /nfs/dbraw/zinc/24/47/08/555244708.db2.gz FOHGGCIVDCNHJK-DOTOQJQBSA-N 1 0 362.430 2.275 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1C ZINC000364179766 555264173 /nfs/dbraw/zinc/26/41/73/555264173.db2.gz HAHUVEBALGSGDS-HZPDHXFCSA-N 1 0 353.444 2.104 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335440 555293289 /nfs/dbraw/zinc/29/32/89/555293289.db2.gz IZOYVHLDZYWNKK-GOEBONIOSA-N 1 0 361.358 2.070 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000364581084 555344619 /nfs/dbraw/zinc/34/46/19/555344619.db2.gz OSJLHBKPROYIMB-UHFFFAOYSA-N 1 0 365.430 2.096 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1OC ZINC000364654233 555364096 /nfs/dbraw/zinc/36/40/96/555364096.db2.gz MVWQZMSXJHBEJH-SFHVURJKSA-N 1 0 363.414 2.056 20 5 FEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000512658891 561911641 /nfs/dbraw/zinc/91/16/41/561911641.db2.gz ATNOINRZRPOIAP-MCIONIFRSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000364858390 555417442 /nfs/dbraw/zinc/41/74/42/555417442.db2.gz FPILHDIXVYLWGT-UHFFFAOYSA-N 1 0 361.427 2.300 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000365351141 555550833 /nfs/dbraw/zinc/55/08/33/555550833.db2.gz BAKFLCSXQQCGDB-GXSJLCMTSA-N 1 0 371.340 2.029 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365703301 555645016 /nfs/dbraw/zinc/64/50/16/555645016.db2.gz NIRQJWDIRWLUFD-LOWVWBTDSA-N 1 0 373.862 2.305 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365996014 555721835 /nfs/dbraw/zinc/72/18/35/555721835.db2.gz KHGXUHCUMWEHPA-UKRRQHHQSA-N 1 0 364.450 2.011 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@H]1c1ccccc1 ZINC000366200885 555779560 /nfs/dbraw/zinc/77/95/60/555779560.db2.gz KBLOUMPFFXGWJV-UWWQBHOKSA-N 1 0 352.394 2.365 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000366495582 555860189 /nfs/dbraw/zinc/86/01/89/555860189.db2.gz XJEQDKKTIUSWKV-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000514028384 561958352 /nfs/dbraw/zinc/95/83/52/561958352.db2.gz DLUOZTHJOYZYPP-GJZGRUSLSA-N 1 0 363.462 2.426 20 5 FEBDRO Cc1cc(OCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366584794 555883162 /nfs/dbraw/zinc/88/31/62/555883162.db2.gz SYUGYPJNVBWWJN-QILLFSRXSA-N 1 0 359.426 2.225 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCO[C@@H]3CCCCO3)C2)nc1 ZINC000514082742 561959980 /nfs/dbraw/zinc/95/99/80/561959980.db2.gz JJHKVFXSVKODIZ-RHSMWYFYSA-N 1 0 350.419 2.409 20 5 FEBDRO Cc1cc(OCC(=O)N2CCCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000366648618 555898780 /nfs/dbraw/zinc/89/87/80/555898780.db2.gz UOLKVLGEVYDMRA-UHFFFAOYSA-N 1 0 370.409 2.416 20 5 FEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000366663384 555903009 /nfs/dbraw/zinc/90/30/09/555903009.db2.gz PHUIIWWJKIJLJS-QGZVFWFLSA-N 1 0 357.414 2.019 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000366806576 555938915 /nfs/dbraw/zinc/93/89/15/555938915.db2.gz WTWMRCDDXGCMDW-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000367308950 556014664 /nfs/dbraw/zinc/01/46/64/556014664.db2.gz RSBNALZUFNTBSU-RNRVQEDPSA-N 1 0 371.393 2.396 20 5 FEBDRO CNC(=O)CN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000367422766 556044403 /nfs/dbraw/zinc/04/44/03/556044403.db2.gz MZAZXBYEJZDDHG-UHFFFAOYSA-N 1 0 372.425 2.109 20 5 FEBDRO CCc1nn(C)c(NCC2([NH+]3CCCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000367529998 556075219 /nfs/dbraw/zinc/07/52/19/556075219.db2.gz YOTBGSJBLQJKNY-UHFFFAOYSA-N 1 0 351.451 2.338 20 5 FEBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368996 556289653 /nfs/dbraw/zinc/28/96/53/556289653.db2.gz GJPYICXUZZMAAF-BBRMVZONSA-N 1 0 370.409 2.397 20 5 FEBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395862 556296036 /nfs/dbraw/zinc/29/60/36/556296036.db2.gz WUCWUEZSBWRIGE-BXUZGUMPSA-N 1 0 351.378 2.233 20 5 FEBDRO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@H]1CC1[N+](=O)[O-] ZINC000368556453 556344541 /nfs/dbraw/zinc/34/45/41/556344541.db2.gz XCZWQWCYNURRCT-ZWKOTPCHSA-N 1 0 366.421 2.286 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000515415815 562009864 /nfs/dbraw/zinc/00/98/64/562009864.db2.gz VSIHMURMJSGEMY-ZDUSSCGKSA-N 1 0 358.320 2.003 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000515638155 562017853 /nfs/dbraw/zinc/01/78/53/562017853.db2.gz TXOAJNWHIVAJLY-UONOGXRCSA-N 1 0 352.456 2.457 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758126 562021124 /nfs/dbraw/zinc/02/11/24/562021124.db2.gz BMQKLKLNPKQYQD-CHWSQXEVSA-N 1 0 373.450 2.380 20 5 FEBDRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000369053505 556489987 /nfs/dbraw/zinc/48/99/87/556489987.db2.gz XUPPNKXCMXFIKF-UHFFFAOYSA-N 1 0 365.411 2.108 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C[C@H](C)O1 ZINC000515816622 562022734 /nfs/dbraw/zinc/02/27/34/562022734.db2.gz FLBLQLRNKOHPGR-KBPBESRZSA-N 1 0 372.425 2.462 20 5 FEBDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369310133 556571179 /nfs/dbraw/zinc/57/11/79/556571179.db2.gz LNGYVWBLRDBWJG-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359132 556579414 /nfs/dbraw/zinc/57/94/14/556579414.db2.gz PCIAQJWHULKICT-KWCYVHTRSA-N 1 0 353.444 2.276 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000369431724 556599230 /nfs/dbraw/zinc/59/92/30/556599230.db2.gz BLRFLOWCICHJQN-TZMCWYRMSA-N 1 0 373.413 2.183 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369536333 556624528 /nfs/dbraw/zinc/62/45/28/556624528.db2.gz GGBHGXUSCBJFPE-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C(CC[N@@H+]1CCc2cc[nH]c(=O)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000369610901 556647528 /nfs/dbraw/zinc/64/75/28/556647528.db2.gz FKSYOZSYNFJLJV-UHFFFAOYSA-N 1 0 360.345 2.221 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000516281814 562038625 /nfs/dbraw/zinc/03/86/25/562038625.db2.gz BESDQJXTZIZKSY-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO CC1CCC(N(C)C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000369683442 556668110 /nfs/dbraw/zinc/66/81/10/556668110.db2.gz LNJFWPHKEMJZNF-UHFFFAOYSA-N 1 0 363.462 2.465 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369795612 556697519 /nfs/dbraw/zinc/69/75/19/556697519.db2.gz TVSZFPCLUYRBSU-JZXOWHBKSA-N 1 0 358.442 2.263 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000369994124 556751707 /nfs/dbraw/zinc/75/17/07/556751707.db2.gz GBHPXDPDXQJTOH-CQSZACIVSA-N 1 0 371.441 2.373 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895120 562063098 /nfs/dbraw/zinc/06/30/98/562063098.db2.gz INGIBAVQVCZMGH-KBPBESRZSA-N 1 0 365.430 2.415 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370904077 557009593 /nfs/dbraw/zinc/00/95/93/557009593.db2.gz HITNXGTWHUTWOT-GUYCJALGSA-N 1 0 357.414 2.141 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000370914498 557013894 /nfs/dbraw/zinc/01/38/94/557013894.db2.gz YIUVGBQFSYGXPR-QFBILLFUSA-N 1 0 371.441 2.224 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517085323 562075180 /nfs/dbraw/zinc/07/51/80/562075180.db2.gz XAEDFBPXRKHOEI-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281218 557130049 /nfs/dbraw/zinc/13/00/49/557130049.db2.gz BQGRBVJJKOFVMG-QFBILLFUSA-N 1 0 363.458 2.435 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371356314 557158343 /nfs/dbraw/zinc/15/83/43/557158343.db2.gz WWTBTXYNVHZPHC-NHBNWDHASA-N 1 0 372.469 2.092 20 5 FEBDRO Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359449 557159920 /nfs/dbraw/zinc/15/99/20/557159920.db2.gz JOSJATRYUYWBKD-RDJZCZTQSA-N 1 0 360.458 2.001 20 5 FEBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC000517707337 562095867 /nfs/dbraw/zinc/09/58/67/562095867.db2.gz BHTNRCXEDITIRW-UHFFFAOYSA-N 1 0 372.450 2.384 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713800 557272025 /nfs/dbraw/zinc/27/20/25/557272025.db2.gz DRBOVXQIMPMDSF-ROUUACIJSA-N 1 0 363.414 2.479 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000518046741 562103273 /nfs/dbraw/zinc/10/32/73/562103273.db2.gz RJTSBVAALKLLBX-AWEZNQCLSA-N 1 0 361.398 2.128 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000371784428 557292628 /nfs/dbraw/zinc/29/26/28/557292628.db2.gz SKRNGFUGWTUPII-UHFFFAOYSA-N 1 0 366.487 2.146 20 5 FEBDRO C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784303 557292663 /nfs/dbraw/zinc/29/26/63/557292663.db2.gz RGJKKDGUWXTOKY-SWLSCSKDSA-N 1 0 365.405 2.207 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518648308 562115996 /nfs/dbraw/zinc/11/59/96/562115996.db2.gz ZNSRPJUAEWRBBE-AWEZNQCLSA-N 1 0 365.430 2.145 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H]2CCCn3cc(C)nc32)ccc1[N+](=O)[O-] ZINC000372251410 557421405 /nfs/dbraw/zinc/42/14/05/557421405.db2.gz JMUWZWLGHUQKKH-ZDUSSCGKSA-N 1 0 374.397 2.181 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000372345183 557446153 /nfs/dbraw/zinc/44/61/53/557446153.db2.gz FYDIMIPNFRVCOB-QGZVFWFLSA-N 1 0 364.442 2.473 20 5 FEBDRO [NH3+]C1(c2noc(-c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000519542133 562134181 /nfs/dbraw/zinc/13/41/81/562134181.db2.gz MRKSDSKKTMVCDR-UHFFFAOYSA-N 1 0 371.353 2.026 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CCN(C)C3=O)CC2)cccc1[N+](=O)[O-] ZINC000373183351 557645790 /nfs/dbraw/zinc/64/57/90/557645790.db2.gz PUKBJMLNWPWENH-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO O=C1CCCN1C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373209960 557650231 /nfs/dbraw/zinc/65/02/31/557650231.db2.gz NHAOIBNKHGIPQH-OAHLLOKOSA-N 1 0 362.386 2.480 20 5 FEBDRO Cn1c(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000520102970 562149169 /nfs/dbraw/zinc/14/91/69/562149169.db2.gz YAHLJGWCIFNVMB-UHFFFAOYSA-N 1 0 359.386 2.076 20 5 FEBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000520463444 562157051 /nfs/dbraw/zinc/15/70/51/562157051.db2.gz LHJZTWMKTNLZBD-KRWDZBQOSA-N 1 0 374.441 2.373 20 5 FEBDRO CCC(CC)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000520562319 562158999 /nfs/dbraw/zinc/15/89/99/562158999.db2.gz HYODLIUNUSVPDC-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000373986500 557801565 /nfs/dbraw/zinc/80/15/65/557801565.db2.gz QRLGVELSIDYRSY-UHFFFAOYSA-N 1 0 353.444 2.091 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760726 562163112 /nfs/dbraw/zinc/16/31/12/562163112.db2.gz GMBOSFXVONHWAF-STQMWFEESA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374055966 557814806 /nfs/dbraw/zinc/81/48/06/557814806.db2.gz WVGBKTREZPXABU-CYBMUJFWSA-N 1 0 358.402 2.230 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000374115904 557826241 /nfs/dbraw/zinc/82/62/41/557826241.db2.gz UTKAQQDVPOEXJX-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374390849 557877475 /nfs/dbraw/zinc/87/74/75/557877475.db2.gz WLKPDAIFNLXYAX-GOSISDBHSA-N 1 0 361.442 2.410 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc([N+](=O)[O-])c1F ZINC000374515670 557893711 /nfs/dbraw/zinc/89/37/11/557893711.db2.gz WDRJAGIRUANGAL-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000374644220 557911180 /nfs/dbraw/zinc/91/11/80/557911180.db2.gz GSUIDJBXPWDUMQ-KSSFIOAISA-N 1 0 362.382 2.236 20 5 FEBDRO COc1cccc([C@@H]2[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000374761899 557927121 /nfs/dbraw/zinc/92/71/21/557927121.db2.gz CAJAKILNYJMLBX-RTBURBONSA-N 1 0 371.441 2.368 20 5 FEBDRO COCCC[N@@H+]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000375121625 557980735 /nfs/dbraw/zinc/98/07/35/557980735.db2.gz STGPWNLLQLRVBY-UHFFFAOYSA-N 1 0 355.410 2.287 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377543 558017766 /nfs/dbraw/zinc/01/77/66/558017766.db2.gz GGDOAQOMOLZQSR-HUUCEWRRSA-N 1 0 364.450 2.012 20 5 FEBDRO COc1cc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1C ZINC000521426527 562176096 /nfs/dbraw/zinc/17/60/96/562176096.db2.gz GQRJIZYBQQGEMX-KRWDZBQOSA-N 1 0 360.410 2.484 20 5 FEBDRO CCN1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375914631 558099053 /nfs/dbraw/zinc/09/90/53/558099053.db2.gz RZUIYFHGYNYASZ-GFCCVEGCSA-N 1 0 358.192 2.017 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000375931306 558101650 /nfs/dbraw/zinc/10/16/50/558101650.db2.gz KQCMJLOBDORJBN-KBPBESRZSA-N 1 0 365.455 2.047 20 5 FEBDRO O=c1[nH]c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218957 558143334 /nfs/dbraw/zinc/14/33/34/558143334.db2.gz LWGVMNAJYQIDPT-PJODQICGSA-N 1 0 355.398 2.164 20 5 FEBDRO C[C@H](O)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000521874890 562185411 /nfs/dbraw/zinc/18/54/11/562185411.db2.gz GTKBIXREAPTSHZ-WRSAYESZSA-N 1 0 364.373 2.185 20 5 FEBDRO C[C@H](O)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000521874892 562185495 /nfs/dbraw/zinc/18/54/95/562185495.db2.gz GTKBIXREAPTSHZ-YEWDVWPNSA-N 1 0 364.373 2.185 20 5 FEBDRO CC(=O)NCC[C@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000521988382 562188248 /nfs/dbraw/zinc/18/82/48/562188248.db2.gz JCSUETVFTKNLHB-OAHLLOKOSA-N 1 0 362.430 2.080 20 5 FEBDRO CCOc1ccc(C(=O)Nc2cnccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000377421327 558337016 /nfs/dbraw/zinc/33/70/16/558337016.db2.gz SQLNERHRCIKWHQ-UHFFFAOYSA-N 1 0 354.326 2.222 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000377814401 558425514 /nfs/dbraw/zinc/42/55/14/558425514.db2.gz NSKSYJAGPIRDTE-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000378191195 558499546 /nfs/dbraw/zinc/49/95/46/558499546.db2.gz RPDLQPWCXOUQIP-FUCXHRTASA-N 1 0 355.398 2.265 20 5 FEBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000378365280 558539716 /nfs/dbraw/zinc/53/97/16/558539716.db2.gz IZIKZZBWMOVBEU-UMVBOHGHSA-N 1 0 351.451 2.192 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369087 558540882 /nfs/dbraw/zinc/54/08/82/558540882.db2.gz IXEPTCWIGNQHKK-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1C ZINC000397273369 558624500 /nfs/dbraw/zinc/62/45/00/558624500.db2.gz OUSGDBFZRIYHAU-SCRDCRAPSA-N 1 0 355.460 2.206 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000405203643 558632581 /nfs/dbraw/zinc/63/25/81/558632581.db2.gz CDABYPMLHRRGHX-CMPLNLGQSA-N 1 0 361.851 2.386 20 5 FEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408067951 558643072 /nfs/dbraw/zinc/64/30/72/558643072.db2.gz GAOYLTUNQVPSRS-GJZGRUSLSA-N 1 0 360.458 2.362 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411533205 558912016 /nfs/dbraw/zinc/91/20/16/558912016.db2.gz AIKWTDZHSNTVRB-CQSZACIVSA-N 1 0 364.446 2.387 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411550588 558915389 /nfs/dbraw/zinc/91/53/89/558915389.db2.gz KLJRLGNZAUQWRW-CQSZACIVSA-N 1 0 364.446 2.387 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000411587334 558923805 /nfs/dbraw/zinc/92/38/05/558923805.db2.gz DNZWBHQFWMAZFN-AWEZNQCLSA-N 1 0 362.430 2.091 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000411621445 558930762 /nfs/dbraw/zinc/93/07/62/558930762.db2.gz QLZMQMPALAYTFV-WOSRLPQWSA-N 1 0 365.430 2.413 20 5 FEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755315 558957043 /nfs/dbraw/zinc/95/70/43/558957043.db2.gz IKGVXSZKRIZIJH-ACJLOTCBSA-N 1 0 370.409 2.171 20 5 FEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776764 558960727 /nfs/dbraw/zinc/96/07/27/558960727.db2.gz XOHSFVWOSFBBEQ-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411839980 558973906 /nfs/dbraw/zinc/97/39/06/558973906.db2.gz DVJLJQFTZCGFED-QGZVFWFLSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1F ZINC000412028569 559003869 /nfs/dbraw/zinc/00/38/69/559003869.db2.gz AWKBQRDJYFIGOG-LBPRGKRZSA-N 1 0 365.405 2.418 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1(OC)CCC1 ZINC000412029818 559003871 /nfs/dbraw/zinc/00/38/71/559003871.db2.gz YULAQRBJEOLXGO-GFCCVEGCSA-N 1 0 351.403 2.479 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412145561 559016781 /nfs/dbraw/zinc/01/67/81/559016781.db2.gz CYZHJRXHWZQKEB-ZDUSSCGKSA-N 1 0 367.421 2.475 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CC=C(C)CC2)c1F ZINC000412246133 559022472 /nfs/dbraw/zinc/02/24/72/559022472.db2.gz JGCYRJDEINAWHC-UHFFFAOYSA-N 1 0 351.378 2.053 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412340763 559028983 /nfs/dbraw/zinc/02/89/83/559028983.db2.gz DPWIUCSDCVPVNN-LBPRGKRZSA-N 1 0 353.394 2.276 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1F ZINC000412349977 559029928 /nfs/dbraw/zinc/02/99/28/559029928.db2.gz WDPXYUDLRKFAPC-OCCSQVGLSA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000412407678 559033689 /nfs/dbraw/zinc/03/36/89/559033689.db2.gz FKNYTQDBCPEJBU-LBPRGKRZSA-N 1 0 353.394 2.226 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413056751 559073568 /nfs/dbraw/zinc/07/35/68/559073568.db2.gz WABNZHZAWQMXNZ-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FEBDRO COC(=O)[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413491719 559111790 /nfs/dbraw/zinc/11/17/90/559111790.db2.gz BOVZZWOKGZOKPG-JTQLQIEISA-N 1 0 361.320 2.155 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413824609 559132739 /nfs/dbraw/zinc/13/27/39/559132739.db2.gz WRTGAZSPZXGPDQ-SJORKVTESA-N 1 0 363.458 2.127 20 5 FEBDRO CN(c1ccccc1)c1ccc(CNC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414967319 559197692 /nfs/dbraw/zinc/19/76/92/559197692.db2.gz BAWADCPBZLRSIY-SFHVURJKSA-N 1 0 369.469 2.356 20 5 FEBDRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000415440676 559237271 /nfs/dbraw/zinc/23/72/71/559237271.db2.gz OMBMZMYHKBSACV-LSDHHAIUSA-N 1 0 356.382 2.481 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000415447281 559238082 /nfs/dbraw/zinc/23/80/82/559238082.db2.gz IQSOMGXSIHLVKS-UHFFFAOYSA-N 1 0 362.430 2.270 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415582372 559252315 /nfs/dbraw/zinc/25/23/15/559252315.db2.gz OUGMQVUECLTRDD-AWEZNQCLSA-N 1 0 362.430 2.431 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415657147 559258799 /nfs/dbraw/zinc/25/87/99/559258799.db2.gz JRHYKUOJFWQXMT-YPMHNXCESA-N 1 0 362.430 2.088 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415692598 559262496 /nfs/dbraw/zinc/26/24/96/559262496.db2.gz HHMQPBQZYUHFCC-NXEZZACHSA-N 1 0 369.219 2.431 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415718438 559265049 /nfs/dbraw/zinc/26/50/49/559265049.db2.gz AGZWMKZGYCUPGD-XYPYZODXSA-N 1 0 368.821 2.068 20 5 FEBDRO COc1cc(OCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416098494 559292093 /nfs/dbraw/zinc/29/20/93/559292093.db2.gz HGHYQJMXRRTGBJ-UHFFFAOYSA-N 1 0 365.430 2.315 20 5 FEBDRO COc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)ccc1OCC[NH+](C)C ZINC000416344627 559306716 /nfs/dbraw/zinc/30/67/16/559306716.db2.gz VRHXLLDSWSCDFM-UHFFFAOYSA-N 1 0 374.397 2.500 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416414985 559311357 /nfs/dbraw/zinc/31/13/57/559311357.db2.gz HARJVWKQRAUQQD-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000417185920 559351965 /nfs/dbraw/zinc/35/19/65/559351965.db2.gz DVDHJLZVRQZSBT-UHFFFAOYSA-N 1 0 350.419 2.454 20 5 FEBDRO CN(C)C(=O)c1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000418027383 559387110 /nfs/dbraw/zinc/38/71/10/559387110.db2.gz GLJQPHBRQNERMQ-UHFFFAOYSA-N 1 0 357.414 2.330 20 5 FEBDRO C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418236270 559395014 /nfs/dbraw/zinc/39/50/14/559395014.db2.gz UPCNDKMPDKHQPB-VUCTXSBTSA-N 1 0 362.430 2.194 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000418480947 559403250 /nfs/dbraw/zinc/40/32/50/559403250.db2.gz DAQADISBEXOISX-CYBMUJFWSA-N 1 0 372.429 2.358 20 5 FEBDRO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420249562 559477717 /nfs/dbraw/zinc/47/77/17/559477717.db2.gz IZGVMZHDGZKGNR-GFCCVEGCSA-N 1 0 358.364 2.406 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000420278466 559478387 /nfs/dbraw/zinc/47/83/87/559478387.db2.gz NYRKUATWKPSEDD-OAHLLOKOSA-N 1 0 358.398 2.759 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000420317297 559480179 /nfs/dbraw/zinc/48/01/79/559480179.db2.gz ZIIZUFNZFHVAGL-MPKXVKKWSA-N 1 0 352.822 2.246 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420449585 559487904 /nfs/dbraw/zinc/48/79/04/559487904.db2.gz KJLVUGOICKMXQP-ZDUSSCGKSA-N 1 0 363.439 2.277 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000420746740 559501914 /nfs/dbraw/zinc/50/19/14/559501914.db2.gz NGPJKFFBMPJJLR-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925184 559511581 /nfs/dbraw/zinc/51/15/81/559511581.db2.gz LDESIADTFBJDSY-KBPBESRZSA-N 1 0 365.430 2.199 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])c1 ZINC000421036256 559521282 /nfs/dbraw/zinc/52/12/82/559521282.db2.gz QAEUFJNTFRBNTR-ZDUSSCGKSA-N 1 0 354.403 2.156 20 5 FEBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421349629 559539899 /nfs/dbraw/zinc/53/98/99/559539899.db2.gz IVUGRRCVUJMCJQ-QRTARXTBSA-N 1 0 371.441 2.299 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000421910646 559556169 /nfs/dbraw/zinc/55/61/69/559556169.db2.gz QCDVDZLRNXIEQQ-UHFFFAOYSA-N 1 0 372.425 2.477 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000422642531 559599667 /nfs/dbraw/zinc/59/96/67/559599667.db2.gz ZNTGZMZUCSAEHY-WOPDTQHZSA-N 1 0 354.838 2.492 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422850319 559608472 /nfs/dbraw/zinc/60/84/72/559608472.db2.gz NFAVINXCSICPEA-KRWDZBQOSA-N 1 0 351.403 2.265 20 5 FEBDRO COc1cc(CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000422949681 559612625 /nfs/dbraw/zinc/61/26/25/559612625.db2.gz VUWLADPUSHVZQI-INIZCTEOSA-N 1 0 365.430 2.049 20 5 FEBDRO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032488 559615847 /nfs/dbraw/zinc/61/58/47/559615847.db2.gz FLPONQWHERNHJD-LSDHHAIUSA-N 1 0 369.487 2.269 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423603266 559633659 /nfs/dbraw/zinc/63/36/59/559633659.db2.gz DYHKMJLOOPXKPW-JKSUJKDBSA-N 1 0 355.394 2.479 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000423643503 559634865 /nfs/dbraw/zinc/63/48/65/559634865.db2.gz CMILGESYWNPJAA-JOCQHMNTSA-N 1 0 363.414 2.266 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423722156 559636925 /nfs/dbraw/zinc/63/69/25/559636925.db2.gz PLZMUEMJCXXEDR-HNNXBMFYSA-N 1 0 361.442 2.348 20 5 FEBDRO CCOc1cc(C(=O)N(CC)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000527308565 562284826 /nfs/dbraw/zinc/28/48/26/562284826.db2.gz GBIHBGISALRMRD-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423980155 559648772 /nfs/dbraw/zinc/64/87/72/559648772.db2.gz SCWITONGGUYWLQ-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424020023 559651393 /nfs/dbraw/zinc/65/13/93/559651393.db2.gz SDZYJBYJYLLEKW-RYUDHWBXSA-N 1 0 355.822 2.460 20 5 FEBDRO [NH3+]C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000424044827 559652503 /nfs/dbraw/zinc/65/25/03/559652503.db2.gz PFVPEEUOJHLIPN-UHFFFAOYSA-N 1 0 358.442 2.277 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000424076015 559653922 /nfs/dbraw/zinc/65/39/22/559653922.db2.gz PWUIKDDQWYQNME-HUBLWGQQSA-N 1 0 363.414 2.217 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000425001110 559683085 /nfs/dbraw/zinc/68/30/85/559683085.db2.gz OAYCWVJOVBCHFP-UHFFFAOYSA-N 1 0 369.849 2.360 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471900 559704101 /nfs/dbraw/zinc/70/41/01/559704101.db2.gz HRWVNMASAPVVEY-QGZVFWFLSA-N 1 0 364.446 2.204 20 5 FEBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000426158866 559730848 /nfs/dbraw/zinc/73/08/48/559730848.db2.gz FGSLNGLQWXUAQO-UHFFFAOYSA-N 1 0 362.474 2.393 20 5 FEBDRO COCCCN(C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000427757300 559761711 /nfs/dbraw/zinc/76/17/11/559761711.db2.gz JXKCIYDNYJMDCD-UHFFFAOYSA-N 1 0 367.450 2.014 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427779875 559762352 /nfs/dbraw/zinc/76/23/52/559762352.db2.gz IEHXAWDFNBFHCX-UTUOFQBUSA-N 1 0 353.806 2.036 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)n1 ZINC000427811991 559763241 /nfs/dbraw/zinc/76/32/41/559763241.db2.gz LIBRFQHHPMVYKU-UHFFFAOYSA-N 1 0 373.457 2.448 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000427908124 559765210 /nfs/dbraw/zinc/76/52/10/559765210.db2.gz YCSVNKYKYGJJBX-AWEZNQCLSA-N 1 0 372.425 2.370 20 5 FEBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000427932971 559765545 /nfs/dbraw/zinc/76/55/45/559765545.db2.gz ZJIXDLCADBJINB-CQSZACIVSA-N 1 0 372.425 2.370 20 5 FEBDRO C[NH2+]Cc1ccccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428558652 559778300 /nfs/dbraw/zinc/77/83/00/559778300.db2.gz NLXQTDIJZIWUKU-UHFFFAOYSA-N 1 0 357.366 2.267 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000428976932 559787270 /nfs/dbraw/zinc/78/72/70/559787270.db2.gz IFOKKOILPYZLGS-NEPJUHHUSA-N 1 0 351.403 2.120 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988667 559787605 /nfs/dbraw/zinc/78/76/05/559787605.db2.gz AKLUWSOZYNPPCB-SPYBWZPUSA-N 1 0 372.469 2.146 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429228823 559793285 /nfs/dbraw/zinc/79/32/85/559793285.db2.gz RYYJEKOLXMCLBQ-CYBMUJFWSA-N 1 0 371.393 2.395 20 5 FEBDRO COC(=O)C[C@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000429667200 559803468 /nfs/dbraw/zinc/80/34/68/559803468.db2.gz JBEUXTIZOIBVSZ-SFHVURJKSA-N 1 0 359.382 2.437 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769271 559805160 /nfs/dbraw/zinc/80/51/60/559805160.db2.gz CAEQJJGJCGLZQZ-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC[NH+](C)CC1 ZINC000432568070 559861045 /nfs/dbraw/zinc/86/10/45/559861045.db2.gz JQQVBOVXQBHFSO-UHFFFAOYSA-N 1 0 358.398 2.074 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193608 559873144 /nfs/dbraw/zinc/87/31/44/559873144.db2.gz RKZNZSUSUMBSCV-HOTGVXAUSA-N 1 0 370.471 2.179 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000433990633 559892268 /nfs/dbraw/zinc/89/22/68/559892268.db2.gz QHNIPSPJRHPGSH-QAPCUYQASA-N 1 0 357.414 2.229 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000433998985 559892283 /nfs/dbraw/zinc/89/22/83/559892283.db2.gz JUFXBASBDFNMMN-WBVHZDCISA-N 1 0 361.377 2.060 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711018 559907137 /nfs/dbraw/zinc/90/71/37/559907137.db2.gz LBRJODUFTYQVDQ-TZMCWYRMSA-N 1 0 371.441 2.279 20 5 FEBDRO COc1cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370049 559921498 /nfs/dbraw/zinc/92/14/98/559921498.db2.gz HGGOKHDCSIHTHW-GHMZBOCLSA-N 1 0 359.373 2.416 20 5 FEBDRO Cn1ccnc1CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425461 559922512 /nfs/dbraw/zinc/92/25/12/559922512.db2.gz CZIQVXJYIVOCNZ-KRWDZBQOSA-N 1 0 355.442 2.473 20 5 FEBDRO CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435613415 559926173 /nfs/dbraw/zinc/92/61/73/559926173.db2.gz JSHSTQWBZOXMEP-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cccc(C[NH+]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2)c1 ZINC000439098254 559988426 /nfs/dbraw/zinc/98/84/26/559988426.db2.gz KQQMAQMNZVCANU-UHFFFAOYSA-N 1 0 354.410 2.324 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000439464438 559994549 /nfs/dbraw/zinc/99/45/49/559994549.db2.gz CZOALWMRQPJPTE-SFHVURJKSA-N 1 0 366.414 2.265 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440593251 560014639 /nfs/dbraw/zinc/01/46/39/560014639.db2.gz DTDUJQUSNUJYGE-CQSZACIVSA-N 1 0 356.373 2.228 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+]C2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000440908726 560019442 /nfs/dbraw/zinc/01/94/42/560019442.db2.gz ZINRPSCMWWENND-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443969375 560097708 /nfs/dbraw/zinc/09/77/08/560097708.db2.gz PFFJUALACJAEGG-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443983081 560098219 /nfs/dbraw/zinc/09/82/19/560098219.db2.gz FOIBPJADCCBJKF-CHWSQXEVSA-N 1 0 370.475 2.035 20 5 FEBDRO COc1cc(OCC(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000444617668 560116908 /nfs/dbraw/zinc/11/69/08/560116908.db2.gz RFYRVORNZWEBQE-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO CC[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000444858419 560122683 /nfs/dbraw/zinc/12/26/83/560122683.db2.gz MQYLQZLLACSCER-INIZCTEOSA-N 1 0 370.409 2.262 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444987670 560126189 /nfs/dbraw/zinc/12/61/89/560126189.db2.gz DLEUUJOLDWJDJD-JSGCOSHPSA-N 1 0 350.419 2.326 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446080624 560139522 /nfs/dbraw/zinc/13/95/22/560139522.db2.gz MPLLXUJVDQTVOR-AVGNSLFASA-N 1 0 351.403 2.430 20 5 FEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514740 560163564 /nfs/dbraw/zinc/16/35/64/560163564.db2.gz HJQMBACNDMKQFP-ZACQAIPSSA-N 1 0 365.478 2.221 20 5 FEBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447567904 560164645 /nfs/dbraw/zinc/16/46/45/560164645.db2.gz FVGPAFRHHNGMNY-JYJNAYRXSA-N 1 0 373.461 2.267 20 5 FEBDRO CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589600 560164944 /nfs/dbraw/zinc/16/49/44/560164944.db2.gz YMENMVBREDUYDI-GJZGRUSLSA-N 1 0 362.434 2.369 20 5 FEBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cnc3N)cccc21 ZINC000447727660 560167936 /nfs/dbraw/zinc/16/79/36/560167936.db2.gz JVUFDCMUQDYRQE-CQSZACIVSA-N 1 0 357.370 2.210 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000447942686 560174086 /nfs/dbraw/zinc/17/40/86/560174086.db2.gz VFCHRNDNXYMKSL-HNNXBMFYSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709897 560195643 /nfs/dbraw/zinc/19/56/43/560195643.db2.gz RVECXYBLSINJSB-WMLDXEAASA-N 1 0 355.398 2.342 20 5 FEBDRO C[C@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C[NH+]1CCCC1 ZINC000448739466 560197342 /nfs/dbraw/zinc/19/73/42/560197342.db2.gz QYEORTUUQLFCFL-CYBMUJFWSA-N 1 0 357.414 2.447 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000449096539 560215742 /nfs/dbraw/zinc/21/57/42/560215742.db2.gz INOBUFFCSQIECV-DZGCQCFKSA-N 1 0 374.393 2.284 20 5 FEBDRO Cc1cccc(CC[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000449098356 560216010 /nfs/dbraw/zinc/21/60/10/560216010.db2.gz IXNVSNZBKIGYDW-UHFFFAOYSA-N 1 0 363.439 2.014 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000449110583 560216223 /nfs/dbraw/zinc/21/62/23/560216223.db2.gz DZVXJCUYNWPTFN-QAPCUYQASA-N 1 0 362.474 2.058 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000449505745 560232383 /nfs/dbraw/zinc/23/23/83/560232383.db2.gz XNNMMAVSUYBTSX-INIZCTEOSA-N 1 0 366.414 2.394 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449721325 560238033 /nfs/dbraw/zinc/23/80/33/560238033.db2.gz OJSMQQYJEZWFBX-RDDDGLTNSA-N 1 0 369.727 2.411 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@@H+]1C1CC1 ZINC000450137428 560251791 /nfs/dbraw/zinc/25/17/91/560251791.db2.gz RYHQRFBMQIURQV-DGCLKSJQSA-N 1 0 355.398 2.340 20 5 FEBDRO Cc1nc(N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371277 560260404 /nfs/dbraw/zinc/26/04/04/560260404.db2.gz GBQMPDWMZMVSQK-OKILXGFUSA-N 1 0 363.462 2.409 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000450487595 560263794 /nfs/dbraw/zinc/26/37/94/560263794.db2.gz NIQZQRAXIOAGAH-AWEZNQCLSA-N 1 0 374.441 2.486 20 5 FEBDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000450785909 560273206 /nfs/dbraw/zinc/27/32/06/560273206.db2.gz ONCJRWJWIIIINQ-UHFFFAOYSA-N 1 0 372.429 2.363 20 5 FEBDRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451097910 560286934 /nfs/dbraw/zinc/28/69/34/560286934.db2.gz GGQCPBDSYNELDU-XJKSGUPXSA-N 1 0 363.414 2.190 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000451159772 560290613 /nfs/dbraw/zinc/29/06/13/560290613.db2.gz BUPWGGNIRKZMSY-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000451488712 560310078 /nfs/dbraw/zinc/31/00/78/560310078.db2.gz GPARFJMQJYJCPL-HUUCEWRRSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560101 560314734 /nfs/dbraw/zinc/31/47/34/560314734.db2.gz HVENEAWWTMUBRK-BLLLJJGKSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451700963 560323035 /nfs/dbraw/zinc/32/30/35/560323035.db2.gz YZTLGRPMIIZWHH-KFWWJZLASA-N 1 0 350.415 2.465 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890526 560335004 /nfs/dbraw/zinc/33/50/04/560335004.db2.gz NIYZVFBKHMZVGZ-YGRLFVJLSA-N 1 0 361.320 2.169 20 5 FEBDRO COC[C@@]1(CO)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451934165 560339032 /nfs/dbraw/zinc/33/90/32/560339032.db2.gz QYXFFGHETVYFBW-SFHVURJKSA-N 1 0 361.398 2.123 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452103590 560351398 /nfs/dbraw/zinc/35/13/98/560351398.db2.gz KXDJIXUYNAQMDX-GFCCVEGCSA-N 1 0 361.851 2.351 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296485 560385394 /nfs/dbraw/zinc/38/53/94/560385394.db2.gz YYONZFJFVJVLOJ-ABAIWWIYSA-N 1 0 355.460 2.235 20 5 FEBDRO CNc1nc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000455221022 560474509 /nfs/dbraw/zinc/47/45/09/560474509.db2.gz NKVNHPICCUODKS-UHFFFAOYSA-N 1 0 359.386 2.224 20 5 FEBDRO CCn1ccnc1[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000455472612 560483648 /nfs/dbraw/zinc/48/36/48/560483648.db2.gz MGNNTLFFILIZKD-GFCCVEGCSA-N 1 0 359.386 2.476 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+](C)CCN(C)C ZINC000455477282 560483770 /nfs/dbraw/zinc/48/37/70/560483770.db2.gz YQALUBAPAWHSFI-UHFFFAOYSA-N 1 0 351.451 2.162 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000455657468 560490774 /nfs/dbraw/zinc/49/07/74/560490774.db2.gz MDWRGOUMSZKJIF-UHFFFAOYSA-N 1 0 366.809 2.328 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000456526354 560523342 /nfs/dbraw/zinc/52/33/42/560523342.db2.gz BPYQNNOAOYMTLA-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000457105486 560548993 /nfs/dbraw/zinc/54/89/93/560548993.db2.gz CMOXRAQIPQONPP-OAHLLOKOSA-N 1 0 357.414 2.335 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000458302701 560614015 /nfs/dbraw/zinc/61/40/15/560614015.db2.gz XDCVOLIJPNKPRS-UHFFFAOYSA-N 1 0 364.333 2.027 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458698995 560641665 /nfs/dbraw/zinc/64/16/65/560641665.db2.gz BDBGNUFUVBOURD-GFCCVEGCSA-N 1 0 360.418 2.097 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459485466 560689118 /nfs/dbraw/zinc/68/91/18/560689118.db2.gz RITYMSDMVQGGJD-UHFFFAOYSA-N 1 0 352.398 2.199 20 5 FEBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459505679 560690524 /nfs/dbraw/zinc/69/05/24/560690524.db2.gz IXNNVEDKIFOHLZ-QAPCUYQASA-N 1 0 356.426 2.276 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525335 560691981 /nfs/dbraw/zinc/69/19/81/560691981.db2.gz IJVAUDFIYSNTEP-MSOLQXFVSA-N 1 0 374.441 2.036 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459655425 560700455 /nfs/dbraw/zinc/70/04/55/560700455.db2.gz DEOTVGPDJFVPPO-GOEBONIOSA-N 1 0 373.409 2.394 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+]C2(CO)CCSCC2)cccc1[N+](=O)[O-] ZINC000459695481 560702650 /nfs/dbraw/zinc/70/26/50/560702650.db2.gz KTJCAIPMIFLETR-UHFFFAOYSA-N 1 0 353.444 2.080 20 5 FEBDRO Cc1cc(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946636 560789088 /nfs/dbraw/zinc/78/90/88/560789088.db2.gz NETHOPOUFKAYKT-JTQLQIEISA-N 1 0 352.395 2.132 20 5 FEBDRO CSC1(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000464700207 560848740 /nfs/dbraw/zinc/84/87/40/560848740.db2.gz QANSAAFTMSQIJF-UHFFFAOYSA-N 1 0 373.425 2.359 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020996 560901667 /nfs/dbraw/zinc/90/16/67/560901667.db2.gz DAIHEBCVCZFTDS-RISCZKNCSA-N 1 0 363.414 2.215 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467669404 560914574 /nfs/dbraw/zinc/91/45/74/560914574.db2.gz WUGOVCDDEUTJCA-IBGZPJMESA-N 1 0 373.384 2.101 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000467778249 560917137 /nfs/dbraw/zinc/91/71/37/560917137.db2.gz VDRZVUDINRMAEW-LBPRGKRZSA-N 1 0 357.476 2.412 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000467989109 560920736 /nfs/dbraw/zinc/92/07/36/560920736.db2.gz CHZNVOCYLJLMFL-CYBMUJFWSA-N 1 0 363.439 2.396 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000468459029 560930440 /nfs/dbraw/zinc/93/04/40/560930440.db2.gz NFGFTCWMBHCRNM-CQSZACIVSA-N 1 0 351.451 2.035 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000468472660 560930763 /nfs/dbraw/zinc/93/07/63/560930763.db2.gz MHYVGJCBUINUMR-MRXNPFEDSA-N 1 0 365.430 2.219 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000468900974 560941788 /nfs/dbraw/zinc/94/17/88/560941788.db2.gz IACZBEVZAUSMFF-ODDCISTRSA-N 1 0 357.414 2.341 20 5 FEBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000469770722 560964393 /nfs/dbraw/zinc/96/43/93/560964393.db2.gz XHRQELYBUOJUHR-LLVKDONJSA-N 1 0 358.354 2.066 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000470178061 560976135 /nfs/dbraw/zinc/97/61/35/560976135.db2.gz WLJKSQWIUDQFTN-YFPIXMDGSA-N 1 0 372.425 2.308 20 5 FEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+](C)Cc1ccccc1 ZINC000472602969 561030746 /nfs/dbraw/zinc/03/07/46/561030746.db2.gz WNLAJPVPMJZJNH-ZDUSSCGKSA-N 1 0 358.398 2.336 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474005736 561063409 /nfs/dbraw/zinc/06/34/09/561063409.db2.gz MTLZBNDIRQXFIG-PBHICJAKSA-N 1 0 364.398 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350077 561071869 /nfs/dbraw/zinc/07/18/69/561071869.db2.gz AUHGNOWEISPFSO-CRAIPNDOSA-N 1 0 366.414 2.440 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000474352865 561071881 /nfs/dbraw/zinc/07/18/81/561071881.db2.gz IPZRJEDHJZQMTF-DZGCQCFKSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCN2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474345580 561071892 /nfs/dbraw/zinc/07/18/92/561071892.db2.gz OAILGMFJQNWTAM-AWEZNQCLSA-N 1 0 365.430 2.111 20 5 FEBDRO COC(=O)COc1ccc(CN[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365400 561072274 /nfs/dbraw/zinc/07/22/74/561072274.db2.gz AQBLBOOFYSKJPX-GJZGRUSLSA-N 1 0 365.430 2.109 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2CCSCC2)cc1[N+](=O)[O-] ZINC000474381217 561072783 /nfs/dbraw/zinc/07/27/83/561072783.db2.gz VURKHXPRQSKRJH-UHFFFAOYSA-N 1 0 354.428 2.379 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000475054977 561089057 /nfs/dbraw/zinc/08/90/57/561089057.db2.gz QPLYGEUYLYQNSV-IRXDYDNUSA-N 1 0 361.421 2.339 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000475106085 561090733 /nfs/dbraw/zinc/09/07/33/561090733.db2.gz HHZOKOUQSUOQDQ-UHFFFAOYSA-N 1 0 359.382 2.216 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccccc1 ZINC000476080790 561111076 /nfs/dbraw/zinc/11/10/76/561111076.db2.gz QMADMFHQCFCNNJ-OAHLLOKOSA-N 1 0 359.430 2.011 20 5 FEBDRO COc1c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301336 561115897 /nfs/dbraw/zinc/11/58/97/561115897.db2.gz COJJLIKSJACJJE-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000476449350 561119758 /nfs/dbraw/zinc/11/97/58/561119758.db2.gz OJKKRMNXKGLIEV-QGZVFWFLSA-N 1 0 361.442 2.484 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000533067876 562497129 /nfs/dbraw/zinc/49/71/29/562497129.db2.gz ZNSMLSAOJBEBQF-UHFFFAOYSA-N 1 0 364.446 2.393 20 5 FEBDRO CS[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000534827449 562543330 /nfs/dbraw/zinc/54/33/30/562543330.db2.gz LQMVHANPGMFOEJ-HOTGVXAUSA-N 1 0 366.487 2.291 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1Br ZINC000535258982 562554251 /nfs/dbraw/zinc/55/42/51/562554251.db2.gz ADAQIFVJUMLISF-UHFFFAOYSA-N 1 0 365.187 2.016 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541942169 562624003 /nfs/dbraw/zinc/62/40/03/562624003.db2.gz SPXNOGUPCWLRBW-JTQLQIEISA-N 1 0 355.341 2.410 20 5 FEBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602827027 568046553 /nfs/dbraw/zinc/04/65/53/568046553.db2.gz NGIHIWJCXCOLLF-CJNGLKHVSA-N 1 0 360.414 2.110 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000568558053 568051507 /nfs/dbraw/zinc/05/15/07/568051507.db2.gz MXMOTJQMGBUOOG-CFVMTHIKSA-N 1 0 358.398 2.473 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000568570355 568056991 /nfs/dbraw/zinc/05/69/91/568056991.db2.gz GNIVOKCUYOEUNM-MRXNPFEDSA-N 1 0 364.446 2.372 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000603384784 568094460 /nfs/dbraw/zinc/09/44/60/568094460.db2.gz STUFCQMACOZYDK-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000568756857 568181703 /nfs/dbraw/zinc/18/17/03/568181703.db2.gz SOVMQLKAVMECGB-AWEZNQCLSA-N 1 0 353.444 2.016 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@@H](C)NCc2c(F)cccc2[N+](=O)[O-])c1 ZINC000181936667 568232333 /nfs/dbraw/zinc/23/23/33/568232333.db2.gz PXCKLXQUVASKEY-LLVKDONJSA-N 1 0 367.402 2.493 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000568975456 568260008 /nfs/dbraw/zinc/26/00/08/568260008.db2.gz HHTYYOPYHUGAKO-ZDUSSCGKSA-N 1 0 350.346 2.272 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569102258 568275905 /nfs/dbraw/zinc/27/59/05/568275905.db2.gz NHWHBSKTFITVJI-NWDGAFQWSA-N 1 0 373.862 2.258 20 5 FEBDRO C[C@@H]1CCC[C@](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])(N(C)C)C1 ZINC000570546472 568486536 /nfs/dbraw/zinc/48/65/36/568486536.db2.gz JARMFIBLEZYKCV-GJYPPUQNSA-N 1 0 365.474 2.435 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(F)cc2F)c1 ZINC000570676731 568495080 /nfs/dbraw/zinc/49/50/80/568495080.db2.gz WBPQBXRNDVIRJP-OAHLLOKOSA-N 1 0 352.337 2.445 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccco1 ZINC000736534522 598500574 /nfs/dbraw/zinc/50/05/74/598500574.db2.gz QBFOKCNGXDLMHR-CYBMUJFWSA-N 1 0 372.389 2.258 20 5 FEBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000821818659 599417763 /nfs/dbraw/zinc/41/77/63/599417763.db2.gz WWWNCDGBXFARME-UHFFFAOYSA-N 1 0 370.369 2.082 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568619 607530601 /nfs/dbraw/zinc/53/06/01/607530601.db2.gz BCIXZOQBMXUNCW-ZBEGNZNMSA-N 1 0 354.370 2.159 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821587295 607114713 /nfs/dbraw/zinc/11/47/13/607114713.db2.gz PTPYILBBNKDLCW-UHFFFAOYSA-N 1 0 373.442 2.405 20 5 FEBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826052653 607935640 /nfs/dbraw/zinc/93/56/40/607935640.db2.gz RKMMWHWJKYIHAQ-INIZCTEOSA-N 1 0 351.370 2.374 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000824562624 608468414 /nfs/dbraw/zinc/46/84/14/608468414.db2.gz HSLDQKNNKPUYJF-LLVKDONJSA-N 1 0 367.369 2.064 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826499311 608529762 /nfs/dbraw/zinc/52/97/62/608529762.db2.gz DKXZELNZLSKFDM-UHFFFAOYSA-N 1 0 366.381 2.433 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812231 674630056 /nfs/dbraw/zinc/63/00/56/674630056.db2.gz PAXSTDTUCXAJPC-BXKDBHETSA-N 1 0 350.375 2.341 20 5 FEBDRO CC[C@@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000561947914 674709684 /nfs/dbraw/zinc/70/96/84/674709684.db2.gz JFMKBUWHRRLEHQ-SNVBAGLBSA-N 1 0 374.235 2.389 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CC2)c1 ZINC000562986851 674831203 /nfs/dbraw/zinc/83/12/03/674831203.db2.gz JQPVGOAFSLTXQQ-HNNXBMFYSA-N 1 0 350.806 2.127 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815014706 674896346 /nfs/dbraw/zinc/89/63/46/674896346.db2.gz YSFFDWQDWREGOE-SECBINFHSA-N 1 0 365.814 2.007 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815035379 674904317 /nfs/dbraw/zinc/90/43/17/674904317.db2.gz KIABAJFPWYZKGH-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000815288542 674938149 /nfs/dbraw/zinc/93/81/49/674938149.db2.gz ZOLLDISEZHSHON-MSOLQXFVSA-N 1 0 350.415 2.273 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595973 674960945 /nfs/dbraw/zinc/96/09/45/674960945.db2.gz HJYLRYSYOZDLKQ-LLVKDONJSA-N 1 0 361.423 2.358 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC(C)(C)C[NH+](C)C ZINC000058541000 670378879 /nfs/dbraw/zinc/37/88/79/670378879.db2.gz JTSBLYYEZGXQPW-UHFFFAOYSA-N 1 0 354.363 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)COc2ccccc2F)cc1 ZINC000565593594 675134875 /nfs/dbraw/zinc/13/48/75/675134875.db2.gz BMJJGWDORZYVFF-AWEZNQCLSA-N 1 0 350.346 2.142 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000093008180 670747832 /nfs/dbraw/zinc/74/78/32/670747832.db2.gz UXLNJZHNGUANLP-NWDGAFQWSA-N 1 0 359.423 2.193 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000570675481 670750395 /nfs/dbraw/zinc/75/03/95/670750395.db2.gz OBGQIJCWQJZUQA-OAHLLOKOSA-N 1 0 352.337 2.445 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000571490301 670880952 /nfs/dbraw/zinc/88/09/52/670880952.db2.gz VBCREMAJSQTNQU-GFCCVEGCSA-N 1 0 358.464 2.035 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000116372239 670905022 /nfs/dbraw/zinc/90/50/22/670905022.db2.gz MKLMVKDVCILXIZ-CYBMUJFWSA-N 1 0 361.439 2.379 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000572365091 670993664 /nfs/dbraw/zinc/99/36/64/670993664.db2.gz ALGWQHVMPZGNRE-UFBFGSQYSA-N 1 0 363.748 2.129 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000566063913 675176869 /nfs/dbraw/zinc/17/68/69/675176869.db2.gz QKDZKODQMKTFDX-YRGRVCCFSA-N 1 0 350.806 2.341 20 5 FEBDRO CO[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000574444382 671240925 /nfs/dbraw/zinc/24/09/25/671240925.db2.gz SYXFEDCCEIXWTJ-NEPJUHHUSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000575045848 671294927 /nfs/dbraw/zinc/29/49/27/671294927.db2.gz UXHMGQLJNMZJEC-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000576267896 671356780 /nfs/dbraw/zinc/35/67/80/671356780.db2.gz CDONKTONXHUDRQ-UHFFFAOYSA-N 1 0 359.835 2.073 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000576749420 671391577 /nfs/dbraw/zinc/39/15/77/671391577.db2.gz PLRIFBRTHXDYNS-AWEZNQCLSA-N 1 0 367.789 2.052 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@H]1CCCC[C@@H]1O ZINC000576755409 671392114 /nfs/dbraw/zinc/39/21/14/671392114.db2.gz JRQQIZXFVYQPFO-INMHGKMJSA-N 1 0 352.431 2.255 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000608800284 675904396 /nfs/dbraw/zinc/90/43/96/675904396.db2.gz LUCRZGLVVBKFRK-CQSZACIVSA-N 1 0 365.459 2.279 20 5 FEBDRO CCc1nc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000577602641 671607377 /nfs/dbraw/zinc/60/73/77/671607377.db2.gz ITCHXAGSVLSVGF-ZDUSSCGKSA-N 1 0 351.428 2.186 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000609386313 675920945 /nfs/dbraw/zinc/92/09/45/675920945.db2.gz OWULXSCZBNYRCA-ZDUSSCGKSA-N 1 0 350.419 2.004 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000578101487 671640289 /nfs/dbraw/zinc/64/02/89/671640289.db2.gz JYVORSVHQMIUOZ-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000578346274 671658685 /nfs/dbraw/zinc/65/86/85/671658685.db2.gz IXCBJUSBDAFOBP-OAHLLOKOSA-N 1 0 355.460 2.280 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000609839785 675938776 /nfs/dbraw/zinc/93/87/76/675938776.db2.gz QTOFAELLQVZTEU-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000580541739 671816511 /nfs/dbraw/zinc/81/65/11/671816511.db2.gz YUMSWQVJSUNVES-RYUDHWBXSA-N 1 0 351.432 2.027 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000580890586 671843903 /nfs/dbraw/zinc/84/39/03/671843903.db2.gz NKAGTBDBYGHCKB-CZUORRHYSA-N 1 0 367.471 2.405 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000119866326 671911012 /nfs/dbraw/zinc/91/10/12/671911012.db2.gz VUXNTPFEVHUMJF-GFCCVEGCSA-N 1 0 359.473 2.153 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134988 675956205 /nfs/dbraw/zinc/95/62/05/675956205.db2.gz ICEHETOULDFPGK-ZIAGYGMSSA-N 1 0 355.460 2.397 20 5 FEBDRO C[NH+](C)CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000582177465 671975994 /nfs/dbraw/zinc/97/59/94/671975994.db2.gz ZQQWGEBFLUFEMG-INIZCTEOSA-N 1 0 351.447 2.046 20 5 FEBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000582670097 672024118 /nfs/dbraw/zinc/02/41/18/672024118.db2.gz MUDAZXKUBSWIHE-TZMCWYRMSA-N 1 0 351.403 2.280 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000583079590 672061634 /nfs/dbraw/zinc/06/16/34/672061634.db2.gz ZDRPPBCLFXBAJD-INIZCTEOSA-N 1 0 352.337 2.445 20 5 FEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000583435459 672094386 /nfs/dbraw/zinc/09/43/86/672094386.db2.gz FERVWUWLYFWNAA-OWCLPIDISA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000583435460 672094422 /nfs/dbraw/zinc/09/44/22/672094422.db2.gz FERVWUWLYFWNAA-PMPSAXMXSA-N 1 0 351.447 2.045 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137061204 672140809 /nfs/dbraw/zinc/14/08/09/672140809.db2.gz YNPQXEAPSTWXNJ-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO [NH3+]C1(CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000584111689 672157068 /nfs/dbraw/zinc/15/70/68/672157068.db2.gz PFYDZWKWEAKLCP-UHFFFAOYSA-N 1 0 360.336 2.413 20 5 FEBDRO COC(=O)c1cc(NCC[NH+]2CCC(OC)CC2)cc(C)c1[N+](=O)[O-] ZINC000610770278 675995663 /nfs/dbraw/zinc/99/56/63/675995663.db2.gz RPIAHQVMIYHVFG-UHFFFAOYSA-N 1 0 351.403 2.213 20 5 FEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174839385 672363935 /nfs/dbraw/zinc/36/39/35/672363935.db2.gz ATCNHPQDVNXTHC-UHFFFAOYSA-N 1 0 368.865 2.138 20 5 FEBDRO CC(C)(C)OC(=O)NCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882762 672396498 /nfs/dbraw/zinc/39/64/98/672396498.db2.gz YXUQNVNKIJERJV-GFCCVEGCSA-N 1 0 351.407 2.001 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611205176 676024837 /nfs/dbraw/zinc/02/48/37/676024837.db2.gz LECINOVIYUEPMP-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000589162714 672510830 /nfs/dbraw/zinc/51/08/30/672510830.db2.gz UVJMHMGOINMDKS-KBPBESRZSA-N 1 0 363.336 2.095 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000590371042 672575335 /nfs/dbraw/zinc/57/53/35/672575335.db2.gz DWRIYBCGCQIVNV-ZDUSSCGKSA-N 1 0 367.471 2.282 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000590572139 672590842 /nfs/dbraw/zinc/59/08/42/672590842.db2.gz WSALJAKVGJLBLH-ZDUSSCGKSA-N 1 0 370.456 2.019 20 5 FEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513840 676041907 /nfs/dbraw/zinc/04/19/07/676041907.db2.gz MXOWODYPZLWHJG-LLVKDONJSA-N 1 0 355.341 2.410 20 5 FEBDRO Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591734793 672706215 /nfs/dbraw/zinc/70/62/15/672706215.db2.gz FEIGIRPASRQKIF-CQSZACIVSA-N 1 0 369.219 2.013 20 5 FEBDRO Cc1noc(C)c1[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757215 672708533 /nfs/dbraw/zinc/70/85/33/672708533.db2.gz XSZZMHQZJPZQPH-NSHDSACASA-N 1 0 367.427 2.367 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196679 672770164 /nfs/dbraw/zinc/77/01/64/672770164.db2.gz XBFJGHXBYMHLNV-CABCVRRESA-N 1 0 350.415 2.368 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592390434 672796717 /nfs/dbraw/zinc/79/67/17/672796717.db2.gz JOGJYOYFAFKANW-JKSUJKDBSA-N 1 0 367.471 2.136 20 5 FEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187992 672888322 /nfs/dbraw/zinc/88/83/22/672888322.db2.gz SMBCXZWSPBVEAX-WOPDTQHZSA-N 1 0 351.403 2.165 20 5 FEBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000593731081 672984306 /nfs/dbraw/zinc/98/43/06/672984306.db2.gz QNACSJWZPIODFH-UHFFFAOYSA-N 1 0 367.349 2.021 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594020272 673021862 /nfs/dbraw/zinc/02/18/62/673021862.db2.gz FURPLKFWQMXZQC-INIZCTEOSA-N 1 0 351.447 2.141 20 5 FEBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000594045631 673025276 /nfs/dbraw/zinc/02/52/76/673025276.db2.gz JWZOJXLXTPOOPE-CQSZACIVSA-N 1 0 351.403 2.150 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594483457 673087075 /nfs/dbraw/zinc/08/70/75/673087075.db2.gz KVGLFKPXVKGNAN-SJORKVTESA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594483455 673087094 /nfs/dbraw/zinc/08/70/94/673087094.db2.gz KVGLFKPXVKGNAN-IAGOWNOFSA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000594525567 673095038 /nfs/dbraw/zinc/09/50/38/673095038.db2.gz VBELCWZMTXSFQJ-ZFWWWQNUSA-N 1 0 359.348 2.435 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749793 673128438 /nfs/dbraw/zinc/12/84/38/673128438.db2.gz ZEUBMYLUUAEBLO-OKILXGFUSA-N 1 0 370.475 2.026 20 5 FEBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000595119038 673196768 /nfs/dbraw/zinc/19/67/68/673196768.db2.gz YXSWRPGPHXSWDY-UHFFFAOYSA-N 1 0 366.226 2.013 20 5 FEBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815282 673327444 /nfs/dbraw/zinc/32/74/44/673327444.db2.gz NQMPUXLVODJJIN-LSDHHAIUSA-N 1 0 350.415 2.368 20 5 FEBDRO CCOC(=O)CC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595873573 673332649 /nfs/dbraw/zinc/33/26/49/673332649.db2.gz FEACDRRTACXCCB-UHFFFAOYSA-N 1 0 352.387 2.066 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N(CC)CCC[NH+](C)C ZINC000596205937 673367728 /nfs/dbraw/zinc/36/77/28/673367728.db2.gz OXNAFFMOSVLTDS-UHFFFAOYSA-N 1 0 372.491 2.061 20 5 FEBDRO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000596290385 673374737 /nfs/dbraw/zinc/37/47/37/673374737.db2.gz YHKQAGFQSVCJOO-OAHLLOKOSA-N 1 0 350.419 2.099 20 5 FEBDRO COc1cc(C(=O)N(C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000538317939 673434277 /nfs/dbraw/zinc/43/42/77/673434277.db2.gz WVFRBRYJRYFQGH-UHFFFAOYSA-N 1 0 361.345 2.229 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000597573038 673488624 /nfs/dbraw/zinc/48/86/24/673488624.db2.gz YECRXDFRGBWERT-UHFFFAOYSA-N 1 0 353.806 2.181 20 5 FEBDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000539479473 673492366 /nfs/dbraw/zinc/49/23/66/673492366.db2.gz ICFPMYUMJXLIIC-UHOFOFEASA-N 1 0 366.487 2.208 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597942960 673521833 /nfs/dbraw/zinc/52/18/33/673521833.db2.gz RCVWOEUDPYYNIE-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598604913 673588894 /nfs/dbraw/zinc/58/88/94/673588894.db2.gz CLBVNWATCSWIBN-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608642 673589793 /nfs/dbraw/zinc/58/97/93/673589793.db2.gz OIFCJYBLUPXLJZ-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613925 673590758 /nfs/dbraw/zinc/59/07/58/673590758.db2.gz ZVTCWBCAYFIKEG-GXTWGEPZSA-N 1 0 355.460 2.315 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1SC ZINC000598670181 673596872 /nfs/dbraw/zinc/59/68/72/673596872.db2.gz RSTKGIHQTUJBDN-MGPLVRAMSA-N 1 0 351.428 2.279 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000598888148 673618809 /nfs/dbraw/zinc/61/88/09/673618809.db2.gz IFJDMQWHRXVMKB-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO Cc1ccc(NCCCNC(=S)NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000739458272 673632079 /nfs/dbraw/zinc/63/20/79/673632079.db2.gz DQQHJSQKYDAPAS-UHFFFAOYSA-N 1 0 353.492 2.121 20 5 FEBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599103275 673633506 /nfs/dbraw/zinc/63/35/06/673633506.db2.gz IDIFHXYJUHTZFX-WCBMZHEXSA-N 1 0 367.349 2.032 20 5 FEBDRO C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000543588376 673655153 /nfs/dbraw/zinc/65/51/53/673655153.db2.gz PHRWYKCOCFBSMM-BZNIZROVSA-N 1 0 355.435 2.391 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464725 673678705 /nfs/dbraw/zinc/67/87/05/673678705.db2.gz RFAVBFPUUUSYBL-AWEZNQCLSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000544599497 673720150 /nfs/dbraw/zinc/72/01/50/673720150.db2.gz TVQBSASHAJSSEH-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000743410635 673759288 /nfs/dbraw/zinc/75/92/88/673759288.db2.gz YFORIGQJICDSPR-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467811 673771610 /nfs/dbraw/zinc/77/16/10/673771610.db2.gz CULWIFPRLTUGKK-MCIONIFRSA-N 1 0 355.460 2.240 20 5 FEBDRO C[C@H]1C[NH+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)O1 ZINC000601101044 673826110 /nfs/dbraw/zinc/82/61/10/673826110.db2.gz GHNJZHVLLJPLGT-UWVGGRQHSA-N 1 0 365.356 2.258 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601131034 673827715 /nfs/dbraw/zinc/82/77/15/673827715.db2.gz DYWJJNKFZQVQMN-UHFFFAOYSA-N 1 0 351.426 2.124 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601355284 673847226 /nfs/dbraw/zinc/84/72/26/673847226.db2.gz NAXYKFYYEKCRKE-JQWIXIFHSA-N 1 0 361.489 2.458 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601414967 673858482 /nfs/dbraw/zinc/85/84/82/673858482.db2.gz NNAJXADLQCLGFZ-RYUDHWBXSA-N 1 0 359.473 2.212 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000601427750 673860315 /nfs/dbraw/zinc/86/03/15/673860315.db2.gz GGYLICXSZHJFBE-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601428590 673860669 /nfs/dbraw/zinc/86/06/69/673860669.db2.gz NRJZLDFQNBRRRH-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000746884540 673896055 /nfs/dbraw/zinc/89/60/55/673896055.db2.gz JECDDGXGABINBP-UHFFFAOYSA-N 1 0 350.419 2.472 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC([NH2+]CCO)CC3)cs2)c1 ZINC000602022940 673901451 /nfs/dbraw/zinc/90/14/51/673901451.db2.gz UKDWLOLDZOQLJD-UHFFFAOYSA-N 1 0 362.455 2.265 20 5 FEBDRO CN(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000602573906 673908236 /nfs/dbraw/zinc/90/82/36/673908236.db2.gz AZJNAZRWOKJQHX-UHFFFAOYSA-N 1 0 369.468 2.109 20 5 FEBDRO CCCCN(C)C(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602765911 673910781 /nfs/dbraw/zinc/91/07/81/673910781.db2.gz MGDGUUJOXBEBCK-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)cc2F)cc1 ZINC000566883499 675250218 /nfs/dbraw/zinc/25/02/18/675250218.db2.gz BZUXSCVEQAQCRS-UHFFFAOYSA-N 1 0 370.377 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000819336638 675282686 /nfs/dbraw/zinc/28/26/86/675282686.db2.gz IQJGCVWJKVUQHS-HNNXBMFYSA-N 1 0 361.789 2.157 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000821051335 675409530 /nfs/dbraw/zinc/40/95/30/675409530.db2.gz AODNBYNCSWHYKQ-CYBMUJFWSA-N 1 0 369.849 2.144 20 5 FEBDRO C[C@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000822463878 675486621 /nfs/dbraw/zinc/48/66/21/675486621.db2.gz JZXPJRACESBXOC-STQMWFEESA-N 1 0 353.423 2.169 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H](O)C[NH+]1CCCCC1 ZINC000822998089 675522121 /nfs/dbraw/zinc/52/21/21/675522121.db2.gz DYQHCJZQXLZZES-ZDUSSCGKSA-N 1 0 369.849 2.144 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000823029824 675524256 /nfs/dbraw/zinc/52/42/56/675524256.db2.gz OKVKGWCRABHVGL-LLVKDONJSA-N 1 0 368.821 2.373 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000823314064 675544308 /nfs/dbraw/zinc/54/43/08/675544308.db2.gz FBILGHZHIWMWQU-UHFFFAOYSA-N 1 0 356.810 2.277 20 5 FEBDRO O=C(N1C[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1)C(F)(F)F ZINC000824829780 675624200 /nfs/dbraw/zinc/62/42/00/675624200.db2.gz RBCJUBBYELKWOU-CHWSQXEVSA-N 1 0 357.332 2.437 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000825756444 675667424 /nfs/dbraw/zinc/66/74/24/675667424.db2.gz STGNWFFEXOVPJF-GFCCVEGCSA-N 1 0 355.822 2.397 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000603640480 675800415 /nfs/dbraw/zinc/80/04/15/675800415.db2.gz ISYLGAQFYKQYQX-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604033959 675803212 /nfs/dbraw/zinc/80/32/12/675803212.db2.gz MIVLCPWEVPDZPF-HUUCEWRRSA-N 1 0 369.487 2.382 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000829352621 675877004 /nfs/dbraw/zinc/87/70/04/675877004.db2.gz VUOCHFABPAORNZ-LBPRGKRZSA-N 1 0 352.822 2.039 20 5 FEBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000829573166 675883776 /nfs/dbraw/zinc/88/37/76/675883776.db2.gz MNRSVNSTBVEARN-UHFFFAOYSA-N 1 0 351.451 2.008 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616423031 676249763 /nfs/dbraw/zinc/24/97/63/676249763.db2.gz DYOUAXNFFXCOEE-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)C2CCOCC2)c1Br ZINC000839554215 680761165 /nfs/dbraw/zinc/76/11/65/680761165.db2.gz ZPZBFBOAVWCOBN-GFCCVEGCSA-N 1 0 359.220 2.234 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839554669 680761186 /nfs/dbraw/zinc/76/11/86/680761186.db2.gz BPIVEZAGSSEJPM-WDEREUQCSA-N 1 0 356.220 2.491 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)ccc1Br ZINC000839651751 680769122 /nfs/dbraw/zinc/76/91/22/680769122.db2.gz QRFPGUOMUXFFKR-WCQYABFASA-N 1 0 359.220 2.234 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1Cl ZINC000840454213 680824129 /nfs/dbraw/zinc/82/41/29/680824129.db2.gz WNRKTDATGWAZPT-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000840952003 680856571 /nfs/dbraw/zinc/85/65/71/680856571.db2.gz GYIIHQHHWTZGCO-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO CCO[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000831730329 680033688 /nfs/dbraw/zinc/03/36/88/680033688.db2.gz BYSNNJIEXRIEJA-ZDUSSCGKSA-N 1 0 355.410 2.094 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831751285 680037966 /nfs/dbraw/zinc/03/79/66/680037966.db2.gz HWMRFAHWZSJLPB-NSHDSACASA-N 1 0 371.459 2.022 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CCC([NH+]3CCCCC3)CC2)cc1Br ZINC000749662103 680064903 /nfs/dbraw/zinc/06/49/03/680064903.db2.gz ORIKVECVIIWEMG-UHFFFAOYSA-N 1 0 372.267 2.462 20 5 FEBDRO Cn1cc(C(C)(C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000754879885 680386272 /nfs/dbraw/zinc/38/62/72/680386272.db2.gz UJLJOFLOGMROHE-UHFFFAOYSA-N 1 0 351.794 2.445 20 5 FEBDRO Cc1nc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sc1C ZINC001029964662 680394376 /nfs/dbraw/zinc/39/43/76/680394376.db2.gz UINGTMVOHDVVEV-HUUCEWRRSA-N 1 0 366.487 2.096 20 5 FEBDRO C[N@H+](Cc1ccc(Cl)s1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431452 680447790 /nfs/dbraw/zinc/44/77/90/680447790.db2.gz OYCNAUCHOJPYTB-CHWSQXEVSA-N 1 0 357.863 2.490 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836480034 680475152 /nfs/dbraw/zinc/47/51/52/680475152.db2.gz OUJGXYGNCJYENF-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000912327805 685353200 /nfs/dbraw/zinc/35/32/00/685353200.db2.gz VYLNYCLKGMLCSS-UHFFFAOYSA-N 1 0 365.455 2.143 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000837177051 680563846 /nfs/dbraw/zinc/56/38/46/680563846.db2.gz KHMMCWCHWFMZKT-UHFFFAOYSA-N 1 0 352.410 2.404 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000759109473 680627629 /nfs/dbraw/zinc/62/76/29/680627629.db2.gz XMKQQIZVUWQYGA-WCQYABFASA-N 1 0 373.450 2.441 20 5 FEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841160729 680866885 /nfs/dbraw/zinc/86/68/85/680866885.db2.gz FUFFTHPVFBXTME-PELKAZGASA-N 1 0 355.192 2.183 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000841177407 680867596 /nfs/dbraw/zinc/86/75/96/680867596.db2.gz SEXSHMBIIATCBT-CQSZACIVSA-N 1 0 368.821 2.211 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000842723107 680962228 /nfs/dbraw/zinc/96/22/28/680962228.db2.gz WZUOPYKOAXOHBS-NOZJJQNGSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000842799577 680967740 /nfs/dbraw/zinc/96/77/40/680967740.db2.gz YDHNNTQLGGZGNO-JQWIXIFHSA-N 1 0 361.851 2.305 20 5 FEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843352151 680999236 /nfs/dbraw/zinc/99/92/36/680999236.db2.gz RCUGZKSXDZJSHB-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000843388406 681000798 /nfs/dbraw/zinc/00/07/98/681000798.db2.gz YAWWRCKUDGUGRQ-MEBBXXQBSA-N 1 0 358.801 2.209 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001050516956 681049168 /nfs/dbraw/zinc/04/91/68/681049168.db2.gz KTJJHJNHLDSSAC-CHWSQXEVSA-N 1 0 369.874 2.491 20 5 FEBDRO CC[N@H+](C)C[C@@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846896270 681304449 /nfs/dbraw/zinc/30/44/49/681304449.db2.gz VULQUOVAKIZIPM-LLVKDONJSA-N 1 0 372.263 2.028 20 5 FEBDRO CC[N@H+](C)C[C@@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997558 681318379 /nfs/dbraw/zinc/31/83/79/681318379.db2.gz UOSIHLNMWBMXJO-ZANVPECISA-N 1 0 353.316 2.240 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000775820569 681339408 /nfs/dbraw/zinc/33/94/08/681339408.db2.gz WCFVYCWAVSRTJJ-KBPBESRZSA-N 1 0 351.403 2.430 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000847176198 681340083 /nfs/dbraw/zinc/34/00/83/681340083.db2.gz ACVAVYLZOPTNNQ-RWMBFGLXSA-N 1 0 353.394 2.270 20 5 FEBDRO CCOc1cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)ccc1[N+](=O)[O-] ZINC000933057501 681356201 /nfs/dbraw/zinc/35/62/01/681356201.db2.gz PGKRRNRMTFITOI-OAHLLOKOSA-N 1 0 350.415 2.499 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000776274325 681378445 /nfs/dbraw/zinc/37/84/45/681378445.db2.gz GXNOGRBEBNOURY-CKEIUWERSA-N 1 0 351.447 2.106 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000776600700 681414019 /nfs/dbraw/zinc/41/40/19/681414019.db2.gz FGMFXINDDVUJPU-KSSFIOAISA-N 1 0 350.415 2.146 20 5 FEBDRO CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000933990478 681493567 /nfs/dbraw/zinc/49/35/67/681493567.db2.gz DAADMSHVBVLYDO-UHFFFAOYSA-N 1 0 371.279 2.037 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000777799887 681531448 /nfs/dbraw/zinc/53/14/48/681531448.db2.gz URUNVTFVOZEWBI-MNOVXSKESA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1F ZINC000848508642 681566191 /nfs/dbraw/zinc/56/61/91/681566191.db2.gz OVRGPGRENOEJOH-KGLIPLIRSA-N 1 0 371.434 2.338 20 5 FEBDRO C[C@@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000934497894 681579973 /nfs/dbraw/zinc/57/99/73/681579973.db2.gz RZAHRDXLUIRYCT-AWEZNQCLSA-N 1 0 369.219 2.051 20 5 FEBDRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582092 681582701 /nfs/dbraw/zinc/58/27/01/681582701.db2.gz WCNXUSBXFHTTCR-CYBMUJFWSA-N 1 0 355.341 2.263 20 5 FEBDRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581459 681582818 /nfs/dbraw/zinc/58/28/18/681582818.db2.gz NKKAFROVOYZBCV-ZDUSSCGKSA-N 1 0 355.341 2.263 20 5 FEBDRO C[C@@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000848586515 681584431 /nfs/dbraw/zinc/58/44/31/681584431.db2.gz MEYQHRVDWXCJCS-LLVKDONJSA-N 1 0 355.341 2.333 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000778310759 681595706 /nfs/dbraw/zinc/59/57/06/681595706.db2.gz RUDOOJRQNQOOSC-CQSZACIVSA-N 1 0 359.398 2.240 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC000849461747 681747581 /nfs/dbraw/zinc/74/75/81/681747581.db2.gz ZDQMWVWDCOVLBV-LLVKDONJSA-N 1 0 359.473 2.342 20 5 FEBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913284784 685475134 /nfs/dbraw/zinc/47/51/34/685475134.db2.gz QNZUGGMNIOZMFO-IYBDPMFKSA-N 1 0 361.427 2.013 20 5 FEBDRO O=C(NC12CC[NH+](CC1)C2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000913631442 685480985 /nfs/dbraw/zinc/48/09/85/685480985.db2.gz VYCJULGCLREHJB-UHFFFAOYSA-N 1 0 358.167 2.074 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000935779128 681820396 /nfs/dbraw/zinc/82/03/96/681820396.db2.gz BNGCZYMNRREBIW-LBPRGKRZSA-N 1 0 355.460 2.139 20 5 FEBDRO CC1(C)CN(c2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000780631456 681855028 /nfs/dbraw/zinc/85/50/28/681855028.db2.gz UJGMAASDIBGGSX-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCC(F)(F)F)CC2 ZINC000957547972 681906602 /nfs/dbraw/zinc/90/66/02/681906602.db2.gz WAFDUFMATRJHSO-CHWSQXEVSA-N 1 0 363.380 2.309 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000782403810 682038916 /nfs/dbraw/zinc/03/89/16/682038916.db2.gz AHOVXIHAUXSIHA-ZDUSSCGKSA-N 1 0 364.471 2.477 20 5 FEBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000783640001 682161256 /nfs/dbraw/zinc/16/12/56/682161256.db2.gz YEHDSEQKJOHCLJ-HZMBPMFUSA-N 1 0 363.805 2.265 20 5 FEBDRO Cc1noc(CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1[N+](=O)[O-] ZINC000852147892 682227739 /nfs/dbraw/zinc/22/77/39/682227739.db2.gz MFRFHVJJEQBGLH-NEPJUHHUSA-N 1 0 352.391 2.332 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000852762396 682338533 /nfs/dbraw/zinc/33/85/33/682338533.db2.gz MGLRQEVMKGLPBZ-RDDDGLTNSA-N 1 0 368.743 2.397 20 5 FEBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000852909470 682356330 /nfs/dbraw/zinc/35/63/30/682356330.db2.gz SOJQRZORLUUBDF-UHFFFAOYSA-N 1 0 358.167 2.060 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000853661704 682453498 /nfs/dbraw/zinc/45/34/98/682453498.db2.gz ZSSVVWSRCZIOFD-UHFFFAOYSA-N 1 0 352.391 2.080 20 5 FEBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000854184861 682522325 /nfs/dbraw/zinc/52/23/25/682522325.db2.gz JQDOSXAHZXJRFW-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO COC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000788428413 682529590 /nfs/dbraw/zinc/52/95/90/682529590.db2.gz DXWPQSDGOMQULB-KBPBESRZSA-N 1 0 351.407 2.095 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855164181 682634436 /nfs/dbraw/zinc/63/44/36/682634436.db2.gz JDUQZZYUIFWLLU-SECBINFHSA-N 1 0 371.235 2.355 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000855415196 682667457 /nfs/dbraw/zinc/66/74/57/682667457.db2.gz UGAHIRNVZYMOAZ-UHFFFAOYSA-N 1 0 356.854 2.170 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000856428740 682780853 /nfs/dbraw/zinc/78/08/53/682780853.db2.gz DPZAXYYICDTVAK-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO COC(=O)c1cc(NC(=S)NC2CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000792684611 682827650 /nfs/dbraw/zinc/82/76/50/682827650.db2.gz CJVYOYBYCXKCPJ-UHFFFAOYSA-N 1 0 366.443 2.070 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000857341969 682881194 /nfs/dbraw/zinc/88/11/94/682881194.db2.gz LMLWKBXHKLIGTG-LLVKDONJSA-N 1 0 356.220 2.427 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000858178697 682940988 /nfs/dbraw/zinc/94/09/88/682940988.db2.gz PPYRQNAMVSMCHU-LBPRGKRZSA-N 1 0 355.822 2.335 20 5 FEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795893199 683105322 /nfs/dbraw/zinc/10/53/22/683105322.db2.gz PFJUMGQIPXJQCV-UHFFFAOYSA-N 1 0 367.830 2.348 20 5 FEBDRO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928440924 683451351 /nfs/dbraw/zinc/45/13/51/683451351.db2.gz ODASTVMLOFCCSM-TVQRCGJNSA-N 1 0 356.220 2.109 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000929216504 683564059 /nfs/dbraw/zinc/56/40/59/683564059.db2.gz BYSAIJUGIGGIDC-LSDHHAIUSA-N 1 0 368.821 2.311 20 5 FEBDRO O=[N+]([O-])CCN1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000930679643 683769941 /nfs/dbraw/zinc/76/99/41/683769941.db2.gz HRIGBWSZEJWMNQ-UHFFFAOYSA-N 1 0 352.866 2.203 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000931186296 683849103 /nfs/dbraw/zinc/84/91/03/683849103.db2.gz LVCIALXIKHKCFF-OLZOCXBDSA-N 1 0 367.833 2.160 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC000867307589 684243527 /nfs/dbraw/zinc/24/35/27/684243527.db2.gz BVCNIMMAVSLRDS-WDEREUQCSA-N 1 0 361.851 2.270 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000867308882 684243910 /nfs/dbraw/zinc/24/39/10/684243910.db2.gz NVSZHCBPWVHGNK-INIZCTEOSA-N 1 0 371.434 2.149 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923537325 684301353 /nfs/dbraw/zinc/30/13/53/684301353.db2.gz UBHNLMHTMVHMKM-INIZCTEOSA-N 1 0 352.822 2.405 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000923734551 684342100 /nfs/dbraw/zinc/34/21/00/684342100.db2.gz NSNWZPPYTZWBAF-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813574 684397382 /nfs/dbraw/zinc/39/73/82/684397382.db2.gz XYJVRVAEFGTUPX-DGCLKSJQSA-N 1 0 373.862 2.271 20 5 FEBDRO COCCC1(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868039814 684442646 /nfs/dbraw/zinc/44/26/46/684442646.db2.gz LNZOTTZCPBLQHP-UHFFFAOYSA-N 1 0 353.444 2.205 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000872052530 684917375 /nfs/dbraw/zinc/91/73/75/684917375.db2.gz OJDJJTRWWMDWBL-NWDGAFQWSA-N 1 0 373.500 2.249 20 5 FEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872062560 684917755 /nfs/dbraw/zinc/91/77/55/684917755.db2.gz NFXJMTOVKHRHQM-BBRMVZONSA-N 1 0 356.444 2.163 20 5 FEBDRO COc1ccc(CSCC(=O)N2C3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000877190690 686337973 /nfs/dbraw/zinc/33/79/73/686337973.db2.gz PNCLDGSNFSWGCP-UHFFFAOYSA-N 1 0 365.455 2.319 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877363299 686364077 /nfs/dbraw/zinc/36/40/77/686364077.db2.gz OMWWJCSUMIVNJY-KWQFWETISA-N 1 0 351.712 2.457 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879320940 686794805 /nfs/dbraw/zinc/79/48/05/686794805.db2.gz KDTJAJRQQUFEIW-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000879708278 686892883 /nfs/dbraw/zinc/89/28/83/686892883.db2.gz ITOFUIJRKOENKV-UHFFFAOYSA-N 1 0 351.403 2.051 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC000880388752 687043274 /nfs/dbraw/zinc/04/32/74/687043274.db2.gz UTFJJTRBUKMVQM-DLBZAZTESA-N 1 0 362.455 2.332 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000881733184 687199105 /nfs/dbraw/zinc/19/91/05/687199105.db2.gz QWIUKAQXKUTLRK-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO C[NH+]1CCN(CCNc2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881779217 687212595 /nfs/dbraw/zinc/21/25/95/687212595.db2.gz MTBHBZDYPRHNSY-UHFFFAOYSA-N 1 0 361.215 2.156 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000884951543 687972451 /nfs/dbraw/zinc/97/24/51/687972451.db2.gz FUBPLRLGNDKAEF-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000885870172 688173989 /nfs/dbraw/zinc/17/39/89/688173989.db2.gz YQKPOFMJRRRMHR-CQSZACIVSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NCC1=CC[NH2+]CC1 ZINC000892070975 689146690 /nfs/dbraw/zinc/14/66/90/689146690.db2.gz IJMKLKAMJCWAMJ-UHFFFAOYSA-N 1 0 369.219 2.076 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892080272 689147680 /nfs/dbraw/zinc/14/76/80/689147680.db2.gz WGGCZDWFDNKGNV-JOYOIKCWSA-N 1 0 371.235 2.155 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892540436 689209552 /nfs/dbraw/zinc/20/95/52/689209552.db2.gz JOPIVRNVJFSUTQ-UHFFFAOYSA-N 1 0 361.851 2.152 20 5 FEBDRO COc1cc([N+](=O)[O-])cnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000892758637 689239664 /nfs/dbraw/zinc/23/96/64/689239664.db2.gz BDEOVHPWIWQVNE-UHFFFAOYSA-N 1 0 350.419 2.080 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792894 689244410 /nfs/dbraw/zinc/24/44/10/689244410.db2.gz IUQGGHCSXUSJPK-HNNXBMFYSA-N 1 0 368.865 2.281 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557904 689895000 /nfs/dbraw/zinc/89/50/00/689895000.db2.gz LQNQNNBRYAFYGF-ZYHUDNBSSA-N 1 0 359.373 2.430 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCCN3CCO)c(Br)c1 ZINC000897221092 689990175 /nfs/dbraw/zinc/99/01/75/689990175.db2.gz HCFNEWKXLZMYGX-LSDHHAIUSA-N 1 0 370.247 2.393 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH2+]CCC12CCOCC2 ZINC000900477849 690521637 /nfs/dbraw/zinc/52/16/37/690521637.db2.gz MQNZGMZJKMFNNV-UHFFFAOYSA-N 1 0 352.366 2.110 20 5 FEBDRO CCO[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000902951302 690823142 /nfs/dbraw/zinc/82/31/42/690823142.db2.gz NELHCIDGYPRSAG-ZFWWWQNUSA-N 1 0 356.444 2.306 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000903204528 690866265 /nfs/dbraw/zinc/86/62/65/690866265.db2.gz ROUXEIUZAGHZLA-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903216558 690868443 /nfs/dbraw/zinc/86/84/43/690868443.db2.gz DCTCHJKZQRYSCP-KBPBESRZSA-N 1 0 357.204 2.395 20 5 FEBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000903590307 690933815 /nfs/dbraw/zinc/93/38/15/690933815.db2.gz UFBLDJDLNWLGOR-UHFFFAOYSA-N 1 0 369.365 2.232 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956680 690989142 /nfs/dbraw/zinc/98/91/42/690989142.db2.gz MWMMZJVYLSUNKO-NWDGAFQWSA-N 1 0 356.373 2.146 20 5 FEBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000904411525 691026091 /nfs/dbraw/zinc/02/60/91/691026091.db2.gz LQQBJKQHQDQNSK-JTQLQIEISA-N 1 0 362.308 2.066 20 5 FEBDRO CN(C)[C@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000905577601 691144923 /nfs/dbraw/zinc/14/49/23/691144923.db2.gz XROFNBMKWBZSAD-CYBMUJFWSA-N 1 0 362.352 2.396 20 5 FEBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000908077429 691610775 /nfs/dbraw/zinc/61/07/75/691610775.db2.gz ZGQZESSZGPSPOB-CQSZACIVSA-N 1 0 372.219 2.143 20 5 FEBDRO COc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726506 720375761 /nfs/dbraw/zinc/37/57/61/720375761.db2.gz OZWOXXFMYQUEAU-JKSUJKDBSA-N 1 0 355.398 2.247 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733422 720551296 /nfs/dbraw/zinc/55/12/96/720551296.db2.gz MZASUWDCVUYWFH-UHFFFAOYSA-N 1 0 356.430 2.153 20 5 FEBDRO Cc1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c([N+](=O)[O-])c1 ZINC001164733053 720551355 /nfs/dbraw/zinc/55/13/55/720551355.db2.gz ISBAXXZOINBWEZ-UHFFFAOYSA-N 1 0 356.430 2.153 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNc2ccc3ncc([N+](=O)[O-])n3n2)cc1 ZINC000502351921 813979164 /nfs/dbraw/zinc/97/91/64/813979164.db2.gz PPQOBPDXZDFBHG-UHFFFAOYSA-N 1 0 370.413 2.233 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524418 887812256 /nfs/dbraw/zinc/81/22/56/887812256.db2.gz OJVLVSLBBSMQQN-CQSZACIVSA-N 1 0 357.414 2.142 20 5 FEBDRO CCOc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268421 539932662 /nfs/dbraw/zinc/93/26/62/539932662.db2.gz PJWSNPKABMOMIC-OAHLLOKOSA-N 1 0 365.430 2.080 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000041644472 540028765 /nfs/dbraw/zinc/02/87/65/540028765.db2.gz NLKVWKDAHZVULP-STQMWFEESA-N 1 0 362.430 2.221 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047105122 540289597 /nfs/dbraw/zinc/28/95/97/540289597.db2.gz CICUXGWQCOUCMR-HZPDHXFCSA-N 1 0 373.457 2.053 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047144365 540292660 /nfs/dbraw/zinc/29/26/60/540292660.db2.gz YIZPWXAJXGQZIP-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000048842916 540374929 /nfs/dbraw/zinc/37/49/29/540374929.db2.gz DYYYWWKRTMBXMC-MRXNPFEDSA-N 1 0 374.372 2.092 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000049652318 540391100 /nfs/dbraw/zinc/39/11/00/540391100.db2.gz ZUIHFXQUESGSCG-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000050796827 540414532 /nfs/dbraw/zinc/41/45/32/540414532.db2.gz INNVEDAVFRYPGF-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000055913486 540686172 /nfs/dbraw/zinc/68/61/72/540686172.db2.gz KKRZRLKWCPPYGP-UHFFFAOYSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000057065790 540766422 /nfs/dbraw/zinc/76/64/22/540766422.db2.gz BXPJMRZOFHDTBN-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000058925353 540860613 /nfs/dbraw/zinc/86/06/13/540860613.db2.gz WSNYVWZLSOCEQU-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000061140570 541127190 /nfs/dbraw/zinc/12/71/90/541127190.db2.gz PIILBYPPWFJUJV-AWEZNQCLSA-N 1 0 371.441 2.053 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000063640295 541175943 /nfs/dbraw/zinc/17/59/43/541175943.db2.gz RNNSKAXZQAVWLG-UHFFFAOYSA-N 1 0 363.462 2.486 20 5 FEBDRO O=C(CC[NH+]1CCN(Cc2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000063483465 541170591 /nfs/dbraw/zinc/17/05/91/541170591.db2.gz ZAUZULRFUJKCRN-UHFFFAOYSA-N 1 0 369.425 2.136 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000065744215 541257448 /nfs/dbraw/zinc/25/74/48/541257448.db2.gz AVQNZGATUZGSKM-UHFFFAOYSA-N 1 0 357.414 2.377 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000067271526 541438720 /nfs/dbraw/zinc/43/87/20/541438720.db2.gz RPXHTHOQSAHUNY-ZDUSSCGKSA-N 1 0 365.430 2.462 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067202405 541432537 /nfs/dbraw/zinc/43/25/37/541432537.db2.gz IKSPISNRZYCDPT-MRXNPFEDSA-N 1 0 363.462 2.342 20 5 FEBDRO C[NH+](C)CCN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCC1 ZINC000067483151 541470202 /nfs/dbraw/zinc/47/02/02/541470202.db2.gz BSYYEIAXJSQDGP-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccsc1 ZINC000068202203 541562888 /nfs/dbraw/zinc/56/28/88/541562888.db2.gz LSEVNKVQNINMOS-CQSZACIVSA-N 1 0 365.459 2.361 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341460 541579191 /nfs/dbraw/zinc/57/91/91/541579191.db2.gz PPLSKIMXKSVVHK-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000068902990 541639060 /nfs/dbraw/zinc/63/90/60/541639060.db2.gz HSEWELDMDSFNJZ-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069527351 541694091 /nfs/dbraw/zinc/69/40/91/541694091.db2.gz KGQHXWMNFDWCKN-OAHLLOKOSA-N 1 0 362.430 2.010 20 5 FEBDRO COc1cc(OCC(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000070784515 541743166 /nfs/dbraw/zinc/74/31/66/541743166.db2.gz LMHQBLPUNKJAAI-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO COCC[N@H+](C)CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544394484 541763607 /nfs/dbraw/zinc/76/36/07/541763607.db2.gz JNELPRRNNUVETJ-UHFFFAOYSA-N 1 0 361.240 2.441 20 5 FEBDRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072718757 541856467 /nfs/dbraw/zinc/85/64/67/541856467.db2.gz QJYLVOFWUVEVSI-INIZCTEOSA-N 1 0 372.469 2.292 20 5 FEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000072724336 541858891 /nfs/dbraw/zinc/85/88/91/541858891.db2.gz CWHVGJWVQFXGJN-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072855639 541882156 /nfs/dbraw/zinc/88/21/56/541882156.db2.gz SYMGOWGTPFANNI-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072899237 541891080 /nfs/dbraw/zinc/89/10/80/541891080.db2.gz HJGUFJWCDZBAPM-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000074970956 542142688 /nfs/dbraw/zinc/14/26/88/542142688.db2.gz RTHBXODMVDPRIY-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000076179408 542240136 /nfs/dbraw/zinc/24/01/36/542240136.db2.gz JYLFYUHGUJOGEO-STQMWFEESA-N 1 0 354.457 2.004 20 5 FEBDRO Cc1nn(C)c(NCCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000076682463 542311891 /nfs/dbraw/zinc/31/18/91/542311891.db2.gz JDVJELGRJNBUKW-UHFFFAOYSA-N 1 0 358.446 2.261 20 5 FEBDRO CSC[C@@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077462148 542384895 /nfs/dbraw/zinc/38/48/95/542384895.db2.gz VSBCSGBRJDGPDS-CQSZACIVSA-N 1 0 350.444 2.199 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000085636276 542730742 /nfs/dbraw/zinc/73/07/42/542730742.db2.gz YLHSWQQVFVCGJD-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078617620 132190777 /nfs/dbraw/zinc/19/07/77/132190777.db2.gz CEQYKOHTBGGFMO-AWEZNQCLSA-N 1 0 357.414 2.090 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc(OC)c1 ZINC000088751424 542755535 /nfs/dbraw/zinc/75/55/35/542755535.db2.gz FNCHSTUQYXNPNL-CYBMUJFWSA-N 1 0 361.402 2.032 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802141322 674163708 /nfs/dbraw/zinc/16/37/08/674163708.db2.gz VYSXDQJSDOEUDM-AWEZNQCLSA-N 1 0 352.387 2.260 20 5 FEBDRO Cc1cccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961882 542778401 /nfs/dbraw/zinc/77/84/01/542778401.db2.gz SQXHZIGDUYJUNF-IAGOWNOFSA-N 1 0 369.421 2.268 20 5 FEBDRO CCc1nn(C)c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478769 542810101 /nfs/dbraw/zinc/81/01/01/542810101.db2.gz WAWMGYINBKYNKI-OKILXGFUSA-N 1 0 365.478 2.216 20 5 FEBDRO CCc1nn(C)c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000091744171 542822718 /nfs/dbraw/zinc/82/27/18/542822718.db2.gz RSEWEDXZQUBDFA-CABCVRRESA-N 1 0 351.451 2.071 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000093142448 542912986 /nfs/dbraw/zinc/91/29/86/542912986.db2.gz SNKAMVNQXLIWSD-UHFFFAOYSA-N 1 0 374.485 2.279 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665464 542937085 /nfs/dbraw/zinc/93/70/85/542937085.db2.gz IKSCADGBLNPPNV-ZDUSSCGKSA-N 1 0 371.384 2.350 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000105599398 543177729 /nfs/dbraw/zinc/17/77/29/543177729.db2.gz ZZAWBCSLRUMDIY-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891633 543253103 /nfs/dbraw/zinc/25/31/03/543253103.db2.gz USCBXRCQOHLSIL-AWEZNQCLSA-N 1 0 367.471 2.452 20 5 FEBDRO Cc1cccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282808 543264725 /nfs/dbraw/zinc/26/47/25/543264725.db2.gz ITDGCEWKADUXHD-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO COc1cc(OCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107601434 543273539 /nfs/dbraw/zinc/27/35/39/543273539.db2.gz OBYDUAIWHLTWDX-CQSZACIVSA-N 1 0 363.414 2.069 20 5 FEBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112988491 543471144 /nfs/dbraw/zinc/47/11/44/543471144.db2.gz JAGREUJHEGYFER-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115437168 543567433 /nfs/dbraw/zinc/56/74/33/543567433.db2.gz WEGAUXXWHFHZPH-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115586391 543576385 /nfs/dbraw/zinc/57/63/85/543576385.db2.gz CXYMERHBWXCNEB-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000116662632 543612330 /nfs/dbraw/zinc/61/23/30/543612330.db2.gz BRXWCGOKJFUTIW-CYBMUJFWSA-N 1 0 351.451 2.035 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000123456727 543762990 /nfs/dbraw/zinc/76/29/90/543762990.db2.gz OKHJQPTWLPJTOV-WOJBJXKFSA-N 1 0 371.437 2.248 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000124110062 543801685 /nfs/dbraw/zinc/80/16/85/543801685.db2.gz CEITWQUJKSZGLO-UHFFFAOYSA-N 1 0 351.447 2.264 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000124811200 543844023 /nfs/dbraw/zinc/84/40/23/543844023.db2.gz FZASHDRVOFVTGC-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124832078 543845242 /nfs/dbraw/zinc/84/52/42/543845242.db2.gz YRWFDKHNQTWOQY-OAHLLOKOSA-N 1 0 357.414 2.302 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000125675187 543895530 /nfs/dbraw/zinc/89/55/30/543895530.db2.gz WQASMQDKQMHCKO-RYUDHWBXSA-N 1 0 359.473 2.070 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000127571112 544000870 /nfs/dbraw/zinc/00/08/70/544000870.db2.gz XAECFSKCIYYATM-GJZGRUSLSA-N 1 0 373.457 2.052 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@@H+]1C1CC1 ZINC000127614693 544003933 /nfs/dbraw/zinc/00/39/33/544003933.db2.gz LWTVYKQKGABEPT-HUUCEWRRSA-N 1 0 373.457 2.052 20 5 FEBDRO COC(=O)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000128636212 544063653 /nfs/dbraw/zinc/06/36/53/544063653.db2.gz JECUATIMSXYDOH-UHFFFAOYSA-N 1 0 355.366 2.336 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129208983 544097244 /nfs/dbraw/zinc/09/72/44/544097244.db2.gz PJQAAVOCDHLMIU-LLVKDONJSA-N 1 0 361.489 2.228 20 5 FEBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000130246315 544144268 /nfs/dbraw/zinc/14/42/68/544144268.db2.gz JROYGPLOYVAGMB-UHFFFAOYSA-N 1 0 370.409 2.333 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2ccccc2[C@@H]1CO ZINC000130709324 544161875 /nfs/dbraw/zinc/16/18/75/544161875.db2.gz JDRJYZLPTDKFFI-KRWDZBQOSA-N 1 0 355.394 2.433 20 5 FEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000131986610 544214519 /nfs/dbraw/zinc/21/45/19/544214519.db2.gz PSZUEEFEQAMOQO-VIFPVBQESA-N 1 0 354.823 2.338 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131996931 544214648 /nfs/dbraw/zinc/21/46/48/544214648.db2.gz VKIRKXLKIWFHQQ-RHSMWYFYSA-N 1 0 360.414 2.283 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000133530622 544274000 /nfs/dbraw/zinc/27/40/00/544274000.db2.gz MAYVGVOJETWHGP-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO CCc1cc(NC[C@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133005408 544252278 /nfs/dbraw/zinc/25/22/78/544252278.db2.gz GYZGQLZITJFRMO-SFHVURJKSA-N 1 0 359.430 2.339 20 5 FEBDRO O=C(C[C@H]1CSCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000133084799 544255392 /nfs/dbraw/zinc/25/53/92/544255392.db2.gz AFWKQYHNNNMFGM-ZDUSSCGKSA-N 1 0 365.455 2.060 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134933127 544328227 /nfs/dbraw/zinc/32/82/27/544328227.db2.gz IKBKKODPWRHIDV-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135510740 544349993 /nfs/dbraw/zinc/34/99/93/544349993.db2.gz ISQIBWOIEZHHKM-HOTGVXAUSA-N 1 0 365.455 2.438 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141604813 544413672 /nfs/dbraw/zinc/41/36/72/544413672.db2.gz JCQPJWZGXSNZID-MRXNPFEDSA-N 1 0 355.398 2.091 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000149169649 544455187 /nfs/dbraw/zinc/45/51/87/544455187.db2.gz KXJQTJIYKBSZPQ-UHFFFAOYSA-N 1 0 361.398 2.082 20 5 FEBDRO COc1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150777186 544469756 /nfs/dbraw/zinc/46/97/56/544469756.db2.gz UDLVNGWTEQKFHA-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000150802543 544473485 /nfs/dbraw/zinc/47/34/85/544473485.db2.gz WIPMPUJEGJEXFE-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1ccc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000152448270 544655391 /nfs/dbraw/zinc/65/53/91/544655391.db2.gz WRZTVLAZEGAYHX-AWEZNQCLSA-N 1 0 356.382 2.397 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000152709134 544686253 /nfs/dbraw/zinc/68/62/53/544686253.db2.gz GVGFIEAVSUVGLH-INIZCTEOSA-N 1 0 368.865 2.250 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000152987986 544719459 /nfs/dbraw/zinc/71/94/59/544719459.db2.gz BNSYYIUXFWDRIL-OLZOCXBDSA-N 1 0 355.398 2.136 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000553058739 674235839 /nfs/dbraw/zinc/23/58/39/674235839.db2.gz LXLFWIFYPHTNAO-CHWSQXEVSA-N 1 0 350.419 2.760 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000553280057 674249991 /nfs/dbraw/zinc/24/99/91/674249991.db2.gz QDGURRWEURAHFF-CHWSQXEVSA-N 1 0 350.419 2.760 20 5 FEBDRO COC(=O)C1(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000180410519 327685130 /nfs/dbraw/zinc/68/51/30/327685130.db2.gz CHSLBOYSTIJOSW-ZDUSSCGKSA-N 1 0 363.414 2.238 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2c(N)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000180605589 327693166 /nfs/dbraw/zinc/69/31/66/327693166.db2.gz NPQNNUMBCWYXJG-MRXNPFEDSA-N 1 0 358.398 2.218 20 5 FEBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007785 327756526 /nfs/dbraw/zinc/75/65/26/327756526.db2.gz LVJZGGLSTAEOEJ-WFASDCNBSA-N 1 0 362.430 2.336 20 5 FEBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021755 327757290 /nfs/dbraw/zinc/75/72/90/327757290.db2.gz ZJQTVGIYYOCFBQ-MLGOLLRUSA-N 1 0 362.430 2.336 20 5 FEBDRO C[C@H](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000182260683 327767862 /nfs/dbraw/zinc/76/78/62/327767862.db2.gz AGHIZSMKTRDFJX-CYBMUJFWSA-N 1 0 372.425 2.431 20 5 FEBDRO COc1cc(F)c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000183437930 327818101 /nfs/dbraw/zinc/81/81/01/327818101.db2.gz XLDIDRHGAYXBLE-NSHDSACASA-N 1 0 365.361 2.264 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184656665 327877595 /nfs/dbraw/zinc/87/75/95/327877595.db2.gz QZQCYQNHMDTJOP-RBSFLKMASA-N 1 0 369.487 2.381 20 5 FEBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186754905 327980535 /nfs/dbraw/zinc/98/05/35/327980535.db2.gz ULBOPSVHMBEPIP-CQSZACIVSA-N 1 0 360.370 2.245 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCCCS(C)(=O)=O ZINC000186856308 327986653 /nfs/dbraw/zinc/98/66/53/327986653.db2.gz JQMNUJWADHQWDI-CYBMUJFWSA-N 1 0 371.459 2.116 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000186962299 327993631 /nfs/dbraw/zinc/99/36/31/327993631.db2.gz MZUNXJOOVOMLGI-UHFFFAOYSA-N 1 0 370.409 2.398 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188118699 328067231 /nfs/dbraw/zinc/06/72/31/328067231.db2.gz FDVQRFNMMUADAG-HXUWFJFHSA-N 1 0 369.421 2.304 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188515199 328092105 /nfs/dbraw/zinc/09/21/05/328092105.db2.gz FJYLCVWEGXDVSI-UHFFFAOYSA-N 1 0 362.430 2.243 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000189150898 328131467 /nfs/dbraw/zinc/13/14/67/328131467.db2.gz NQVMFRPRYYQSMP-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189199793 328134381 /nfs/dbraw/zinc/13/43/81/328134381.db2.gz LDDDHDLZHRIPJX-NVXWUHKLSA-N 1 0 350.415 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189256432 328137360 /nfs/dbraw/zinc/13/73/60/328137360.db2.gz NKMFZKKUCSPQEG-WBMJQRKESA-N 1 0 351.403 2.289 20 5 FEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000189610619 328157876 /nfs/dbraw/zinc/15/78/76/328157876.db2.gz YBILMCSMLDEPDW-KRWDZBQOSA-N 1 0 351.403 2.169 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794103 328168403 /nfs/dbraw/zinc/16/84/03/328168403.db2.gz JNZDMJCUPUNSFB-HNNXBMFYSA-N 1 0 362.474 2.474 20 5 FEBDRO C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C[NH+](C)C ZINC000189889523 328173895 /nfs/dbraw/zinc/17/38/95/328173895.db2.gz SKGDSTSAFWZKCW-ZDUSSCGKSA-N 1 0 364.446 2.344 20 5 FEBDRO COC(=O)[C@H]1[C@H]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201403 328253849 /nfs/dbraw/zinc/25/38/49/328253849.db2.gz QLXOSSODZBHFSB-IVMMDQJWSA-N 1 0 372.381 2.418 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000191404938 328264206 /nfs/dbraw/zinc/26/42/06/328264206.db2.gz JKIHIMPEZVNZKU-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000191523084 328269448 /nfs/dbraw/zinc/26/94/48/328269448.db2.gz VYPPZAAHGYFXQC-UHFFFAOYSA-N 1 0 371.441 2.378 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)c2nn(CC)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000191759923 328280345 /nfs/dbraw/zinc/28/03/45/328280345.db2.gz IWKKRBVSMRGTMH-HNNXBMFYSA-N 1 0 359.430 2.406 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000192559071 328325544 /nfs/dbraw/zinc/32/55/44/328325544.db2.gz NYKIOBUSBGKURN-UHFFFAOYSA-N 1 0 361.402 2.463 20 5 FEBDRO COc1cccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000192687535 328333435 /nfs/dbraw/zinc/33/34/35/328333435.db2.gz DLWHEUQQFPTGET-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCc3occc32)c1 ZINC000192763971 328338416 /nfs/dbraw/zinc/33/84/16/328338416.db2.gz JHKPHQCALZPYJL-HNNXBMFYSA-N 1 0 365.411 2.133 20 5 FEBDRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192788873 328339535 /nfs/dbraw/zinc/33/95/35/328339535.db2.gz KIIHMHJCLPTNEL-QGZVFWFLSA-N 1 0 367.471 2.233 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)CC[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000193182669 328361364 /nfs/dbraw/zinc/36/13/64/328361364.db2.gz BLWPYLIYQZYDGH-TZMCWYRMSA-N 1 0 351.403 2.221 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000193322398 328368667 /nfs/dbraw/zinc/36/86/67/328368667.db2.gz AATNYDPQGHLBSS-UHFFFAOYSA-N 1 0 367.471 2.389 20 5 FEBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193361995 328370815 /nfs/dbraw/zinc/37/08/15/328370815.db2.gz AANKHRUFSKKQHK-UHFFFAOYSA-N 1 0 356.382 2.221 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000193546305 328381185 /nfs/dbraw/zinc/38/11/85/328381185.db2.gz UGPOCAYGBPXPMX-CQSZACIVSA-N 1 0 362.430 2.424 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030285112 324457891 /nfs/dbraw/zinc/45/78/91/324457891.db2.gz BWJZSGNRFQWUTF-UHFFFAOYSA-N 1 0 374.441 2.222 20 5 FEBDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000080922670 325147180 /nfs/dbraw/zinc/14/71/80/325147180.db2.gz BDKGXVDOYJETRW-UHFFFAOYSA-N 1 0 369.421 2.482 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000081032580 325155217 /nfs/dbraw/zinc/15/52/17/325155217.db2.gz ZRTYJEQSFFCIHP-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+](C)C ZINC000081732037 325194363 /nfs/dbraw/zinc/19/43/63/325194363.db2.gz YANQRAHNDLHOAI-CYBMUJFWSA-N 1 0 359.430 2.487 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC3CCC([NH3+])CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237637367 328523378 /nfs/dbraw/zinc/52/33/78/328523378.db2.gz BKXGKAQMXVBOCP-UHFFFAOYSA-N 1 0 371.441 2.456 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088793881 325302663 /nfs/dbraw/zinc/30/26/63/325302663.db2.gz VNNPSPXNJNAXPL-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000090589649 325364868 /nfs/dbraw/zinc/36/48/68/325364868.db2.gz FUISCXSMQIGUIW-GOSISDBHSA-N 1 0 357.410 2.030 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098104625 325466709 /nfs/dbraw/zinc/46/67/09/325466709.db2.gz PZXXIZGDZUSERP-CQSZACIVSA-N 1 0 351.451 2.123 20 5 FEBDRO Cc1c(C(=O)N(C)CC2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103451067 325518355 /nfs/dbraw/zinc/51/83/55/325518355.db2.gz KOAVZUMJCNJMOS-UHFFFAOYSA-N 1 0 350.375 2.225 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000104694566 325542470 /nfs/dbraw/zinc/54/24/70/325542470.db2.gz HXSJWGKUVOSCRS-UHFFFAOYSA-N 1 0 351.447 2.271 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116589309 326026304 /nfs/dbraw/zinc/02/63/04/326026304.db2.gz BMNXTLIAKIXTAI-OAHLLOKOSA-N 1 0 364.446 2.324 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000116645953 326028491 /nfs/dbraw/zinc/02/84/91/326028491.db2.gz XQOUKZTYNUPJMU-AWEZNQCLSA-N 1 0 363.414 2.317 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118117331 326082899 /nfs/dbraw/zinc/08/28/99/326082899.db2.gz HHXCOILQKLFMIS-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000119572128 326176950 /nfs/dbraw/zinc/17/69/50/326176950.db2.gz IJZVTLHBYYODQD-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119583879 326177889 /nfs/dbraw/zinc/17/78/89/326177889.db2.gz VHHUQTONEIYHFG-CABCVRRESA-N 1 0 372.429 2.234 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1C ZINC000119732679 326192608 /nfs/dbraw/zinc/19/26/08/326192608.db2.gz BNIUOUCUCXESPZ-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000119919460 326212411 /nfs/dbraw/zinc/21/24/11/326212411.db2.gz XOXMJTOHQKSMMS-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122913517 326413705 /nfs/dbraw/zinc/41/37/05/326413705.db2.gz LBVKDOHTTKTZAL-CYBMUJFWSA-N 1 0 355.460 2.450 20 5 FEBDRO Cc1c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000123981441 326445655 /nfs/dbraw/zinc/44/56/55/326445655.db2.gz LZGVRGJPRMJBNV-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000128331115 326521858 /nfs/dbraw/zinc/52/18/58/326521858.db2.gz QIKYJMDLZSEGFF-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])o1 ZINC000151196702 326676957 /nfs/dbraw/zinc/67/69/57/326676957.db2.gz OWMFBRHYNSACOF-UHFFFAOYSA-N 1 0 359.338 2.349 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000151996562 326696575 /nfs/dbraw/zinc/69/65/75/326696575.db2.gz MPBHPNSOJNGXHV-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO COc1cc(OCC(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155650792 326798214 /nfs/dbraw/zinc/79/82/14/326798214.db2.gz PXHQEWJGJSNUBV-CQSZACIVSA-N 1 0 351.403 2.006 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000160959519 326983206 /nfs/dbraw/zinc/98/32/06/326983206.db2.gz XEGFLFADGNNSRS-OAHLLOKOSA-N 1 0 369.487 2.179 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161926562 327012685 /nfs/dbraw/zinc/01/26/85/327012685.db2.gz RGTYWYRMAPTFJA-DYVFJYSZSA-N 1 0 358.442 2.408 20 5 FEBDRO CCc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000161975458 327013603 /nfs/dbraw/zinc/01/36/03/327013603.db2.gz YWFASNVYCMLDRN-GFCCVEGCSA-N 1 0 367.427 2.379 20 5 FEBDRO CCOC(=O)c1ccnc(N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000162243964 327020759 /nfs/dbraw/zinc/02/07/59/327020759.db2.gz HNYLGSUDWQKBFE-UHFFFAOYSA-N 1 0 362.386 2.328 20 5 FEBDRO C[NH+](C)CC1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000162689266 327032243 /nfs/dbraw/zinc/03/22/43/327032243.db2.gz PIUHTLAZWJOVPF-UHFFFAOYSA-N 1 0 372.429 2.348 20 5 FEBDRO CC(=O)N1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170906651 327106628 /nfs/dbraw/zinc/10/66/28/327106628.db2.gz XRVUERZMDFRVQQ-UHFFFAOYSA-N 1 0 358.398 2.347 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171809467 327162922 /nfs/dbraw/zinc/16/29/22/327162922.db2.gz TUZOLNYBABWYHA-OAHLLOKOSA-N 1 0 371.441 2.175 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000171980462 327174313 /nfs/dbraw/zinc/17/43/13/327174313.db2.gz AYTATYYTMOPKNT-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO Cc1nccn1-c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000173165685 327238463 /nfs/dbraw/zinc/23/84/63/327238463.db2.gz CDTNRENSJZDFIU-UHFFFAOYSA-N 1 0 351.366 2.343 20 5 FEBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000173181581 327239466 /nfs/dbraw/zinc/23/94/66/327239466.db2.gz UHJUHRJTXJQJFZ-OAHLLOKOSA-N 1 0 361.442 2.287 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000173242062 327243642 /nfs/dbraw/zinc/24/36/42/327243642.db2.gz SZJZWHPYXWRDBP-KBPBESRZSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000173341795 327250936 /nfs/dbraw/zinc/25/09/36/327250936.db2.gz RBAHWRFUEPASPO-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000173514051 327262769 /nfs/dbraw/zinc/26/27/69/327262769.db2.gz ZKEJGMVOUGCVAI-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173626391 327272055 /nfs/dbraw/zinc/27/20/55/327272055.db2.gz IYQAFCOVXMVYRF-AWEZNQCLSA-N 1 0 353.444 2.091 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000173631735 327272548 /nfs/dbraw/zinc/27/25/48/327272548.db2.gz UVYGHUYHPFWYTK-CYBMUJFWSA-N 1 0 371.434 2.230 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173671605 327275426 /nfs/dbraw/zinc/27/54/26/327275426.db2.gz JYOIMVBLNLIKTI-GFCCVEGCSA-N 1 0 359.423 2.229 20 5 FEBDRO C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC000174074066 327304925 /nfs/dbraw/zinc/30/49/25/327304925.db2.gz YMRIFYJEVIUKRM-ZDUSSCGKSA-N 1 0 354.370 2.300 20 5 FEBDRO Nc1c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000174554083 327334749 /nfs/dbraw/zinc/33/47/49/327334749.db2.gz LIYWMZVYJHYLRO-LBPRGKRZSA-N 1 0 350.394 2.264 20 5 FEBDRO O=C(C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)N1CCc2ccccc21 ZINC000174833973 327354209 /nfs/dbraw/zinc/35/42/09/327354209.db2.gz LUOOZIIGNPTHER-UHFFFAOYSA-N 1 0 369.425 2.093 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000174880228 327357413 /nfs/dbraw/zinc/35/74/13/327357413.db2.gz KOMHUANCLAYPFP-ZDUSSCGKSA-N 1 0 353.423 2.123 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000176913870 327484196 /nfs/dbraw/zinc/48/41/96/327484196.db2.gz ICWHETGNUZRKMP-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO CN1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2c[nH+]ccc21 ZINC000176975003 327488238 /nfs/dbraw/zinc/48/82/38/327488238.db2.gz HHCYNRNGQKRRMC-UHFFFAOYSA-N 1 0 368.802 2.288 20 5 FEBDRO C[NH+]1CCC(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177079057 327496122 /nfs/dbraw/zinc/49/61/22/327496122.db2.gz VIXCCXLJJIJVAC-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)CC(C)C ZINC000178278108 327575760 /nfs/dbraw/zinc/57/57/60/327575760.db2.gz JLQKXZJUODRZPL-CQSZACIVSA-N 1 0 372.491 2.411 20 5 FEBDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178519220 327590093 /nfs/dbraw/zinc/59/00/93/327590093.db2.gz ZUNPNNNVPCEPHB-CQSZACIVSA-N 1 0 363.439 2.386 20 5 FEBDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262807111 328891225 /nfs/dbraw/zinc/89/12/25/328891225.db2.gz QHNLSYVOAOXKTE-UWVGGRQHSA-N 1 0 356.220 2.109 20 5 FEBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263814044 328965201 /nfs/dbraw/zinc/96/52/01/328965201.db2.gz ODJDOSONDOCWPQ-UHFFFAOYSA-N 1 0 373.457 2.389 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639966 329043695 /nfs/dbraw/zinc/04/36/95/329043695.db2.gz XJTWGPXYXBVGRK-QGZVFWFLSA-N 1 0 362.474 2.076 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264796517 329061996 /nfs/dbraw/zinc/06/19/96/329061996.db2.gz UOVSXJCOJJSIGY-UHFFFAOYSA-N 1 0 360.414 2.051 20 5 FEBDRO CCc1cc(NC[C@@H]2C[N@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802251 329062506 /nfs/dbraw/zinc/06/25/06/329062506.db2.gz UURPARBTXCEAHI-QGZVFWFLSA-N 1 0 370.457 2.272 20 5 FEBDRO CN1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000265544414 329137450 /nfs/dbraw/zinc/13/74/50/329137450.db2.gz PIYLOVLVJNWGGZ-UHFFFAOYSA-N 1 0 353.854 2.107 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000266337138 329212709 /nfs/dbraw/zinc/21/27/09/329212709.db2.gz HSGWZZFUDUZQMS-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266341197 329213140 /nfs/dbraw/zinc/21/31/40/329213140.db2.gz LOTBWTNLOSIXGU-NSHDSACASA-N 1 0 361.320 2.064 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000266525607 329233027 /nfs/dbraw/zinc/23/30/27/329233027.db2.gz BECHKYATCMYMMA-IEBWSBKVSA-N 1 0 360.410 2.390 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCCO1 ZINC000266713158 329252232 /nfs/dbraw/zinc/25/22/32/329252232.db2.gz JREDNKORTQAKLY-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000266928160 329273753 /nfs/dbraw/zinc/27/37/53/329273753.db2.gz RTCBVMRRGLCWME-UHFFFAOYSA-N 1 0 367.413 2.456 20 5 FEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266966367 329277796 /nfs/dbraw/zinc/27/77/96/329277796.db2.gz ZSDLGIMENJKSMX-TZMCWYRMSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268150301 329390458 /nfs/dbraw/zinc/39/04/58/329390458.db2.gz GAWXPQDTCUYEJQ-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000268828322 329459450 /nfs/dbraw/zinc/45/94/50/329459450.db2.gz RKFDHVLXOMKWIH-LLVKDONJSA-N 1 0 370.837 2.083 20 5 FEBDRO CSc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270970228 329650186 /nfs/dbraw/zinc/65/01/86/329650186.db2.gz BRHFYHUSYXHTCT-TZMCWYRMSA-N 1 0 355.485 2.434 20 5 FEBDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668275 329713573 /nfs/dbraw/zinc/71/35/73/329713573.db2.gz MPCAWHXPHKVLAI-DYVFJYSZSA-N 1 0 374.393 2.472 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000273060876 329833785 /nfs/dbraw/zinc/83/37/85/329833785.db2.gz SQXJDXHYRNLQNO-ZNMIVQPWSA-N 1 0 360.458 2.416 20 5 FEBDRO CS[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275033452 330004028 /nfs/dbraw/zinc/00/40/28/330004028.db2.gz FYTFDHUECFDICN-BRWVUGGUSA-N 1 0 351.472 2.140 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000275042245 330004582 /nfs/dbraw/zinc/00/45/82/330004582.db2.gz YGMMAAILWXGIJT-KRWDZBQOSA-N 1 0 371.441 2.436 20 5 FEBDRO O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000275078844 330008242 /nfs/dbraw/zinc/00/82/42/330008242.db2.gz CTUSBFWEQOKGAV-VIFPVBQESA-N 1 0 372.303 2.236 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000275107423 330011236 /nfs/dbraw/zinc/01/12/36/330011236.db2.gz KVMSXSMBJBKPLT-GDBMZVCRSA-N 1 0 365.455 2.255 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275290435 330031090 /nfs/dbraw/zinc/03/10/90/330031090.db2.gz OOZGNOLBHTXFPT-GJZGRUSLSA-N 1 0 353.419 2.386 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276350911 330143913 /nfs/dbraw/zinc/14/39/13/330143913.db2.gz ULLBUZKONBNFEO-CYBMUJFWSA-N 1 0 355.460 2.388 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276469919 330155442 /nfs/dbraw/zinc/15/54/42/330155442.db2.gz YLICNWKJSXHWAS-TZMCWYRMSA-N 1 0 352.387 2.113 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1[N+](=O)[O-] ZINC000433164728 330274304 /nfs/dbraw/zinc/27/43/04/330274304.db2.gz ACKRZMNMDRPZJK-LSDHHAIUSA-N 1 0 365.430 2.325 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000157260821 545719751 /nfs/dbraw/zinc/71/97/51/545719751.db2.gz IDMKGSPPCGRUST-UHFFFAOYSA-N 1 0 357.410 2.433 20 5 FEBDRO O=C(Nc1ccccc1)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157779877 545783258 /nfs/dbraw/zinc/78/32/58/545783258.db2.gz XXLJEGVRYSPFMF-UHFFFAOYSA-N 1 0 358.402 2.077 20 5 FEBDRO COc1cc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000157803402 545786679 /nfs/dbraw/zinc/78/66/79/545786679.db2.gz JNQSAEHGICVJTB-KRWDZBQOSA-N 1 0 350.346 2.445 20 5 FEBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000158355092 545851369 /nfs/dbraw/zinc/85/13/69/545851369.db2.gz SDWTUDIODRBFJH-UHFFFAOYSA-N 1 0 355.441 2.067 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1C(=O)c2ccccc2C1=O ZINC000158987312 545911708 /nfs/dbraw/zinc/91/17/08/545911708.db2.gz GYCWNQPHDIRXQB-UHFFFAOYSA-N 1 0 369.377 2.202 20 5 FEBDRO Cn1cc(C[NH2+]Cc2ccnc3ccnn32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000478356198 561164885 /nfs/dbraw/zinc/16/48/85/561164885.db2.gz MCOLZSSSNDHESJ-UHFFFAOYSA-N 1 0 363.381 2.328 20 5 FEBDRO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159843214 545984726 /nfs/dbraw/zinc/98/47/26/545984726.db2.gz SUZARQNKBUHLID-HNNXBMFYSA-N 1 0 373.384 2.491 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000160707408 546064598 /nfs/dbraw/zinc/06/45/98/546064598.db2.gz FBBJIEFKMLZJRG-SJORKVTESA-N 1 0 365.405 2.232 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171127676 546192335 /nfs/dbraw/zinc/19/23/35/546192335.db2.gz MXLMZWSTSQQLJV-UHFFFAOYSA-N 1 0 364.427 2.026 20 5 FEBDRO COc1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]2CCCO2)c1 ZINC000176218128 546420462 /nfs/dbraw/zinc/42/04/62/546420462.db2.gz JYYMHPSJGFURRC-KRWDZBQOSA-N 1 0 360.414 2.481 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480751205 561215921 /nfs/dbraw/zinc/21/59/21/561215921.db2.gz BKWZVLVRFSKZHG-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177583412 546648361 /nfs/dbraw/zinc/64/83/61/546648361.db2.gz IDCRCLSBQAOZCU-RTHVDDQRSA-N 1 0 371.441 2.064 20 5 FEBDRO Cc1cnc(OCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000179271152 546923196 /nfs/dbraw/zinc/92/31/96/546923196.db2.gz OURGBPBFCWJCBW-INIZCTEOSA-N 1 0 358.398 2.096 20 5 FEBDRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179347895 546936481 /nfs/dbraw/zinc/93/64/81/546936481.db2.gz MULRBOIUQCFCLA-HNNXBMFYSA-N 1 0 365.430 2.359 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180135445 547056957 /nfs/dbraw/zinc/05/69/57/547056957.db2.gz MQGXBDBKGBUOSN-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000482752526 561259524 /nfs/dbraw/zinc/25/95/24/561259524.db2.gz DMJGQTDDWPNKIF-ZDUSSCGKSA-N 1 0 354.407 2.082 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000483400464 561276162 /nfs/dbraw/zinc/27/61/62/561276162.db2.gz CGRRYWKYDPADSF-JKSUJKDBSA-N 1 0 367.446 2.315 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181953743 547412498 /nfs/dbraw/zinc/41/24/98/547412498.db2.gz RVEBSJHADCERLX-INIZCTEOSA-N 1 0 365.430 2.142 20 5 FEBDRO CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000182500272 547504659 /nfs/dbraw/zinc/50/46/59/547504659.db2.gz GAEJXGWVYJCBGA-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000183463841 547664823 /nfs/dbraw/zinc/66/48/23/547664823.db2.gz KBGADVULYCLOFS-RYRKJORJSA-N 1 0 361.442 2.141 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000183633233 547693548 /nfs/dbraw/zinc/69/35/48/547693548.db2.gz XCDWSPSIAJWYSP-KGLIPLIRSA-N 1 0 365.434 2.248 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617154 561301192 /nfs/dbraw/zinc/30/11/92/561301192.db2.gz MDXZGXVJIWMGQC-WKPIXPDZSA-N 1 0 371.821 2.359 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000183763862 547714651 /nfs/dbraw/zinc/71/46/51/547714651.db2.gz SIDCHUQQOWNHKP-MRXNPFEDSA-N 1 0 355.394 2.091 20 5 FEBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000484643795 561302072 /nfs/dbraw/zinc/30/20/72/561302072.db2.gz DMGWRTACYWGXDI-QXAKKESOSA-N 1 0 374.441 2.440 20 5 FEBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000183995483 547750663 /nfs/dbraw/zinc/75/06/63/547750663.db2.gz TVLAQDNGGRTCOG-UHFFFAOYSA-N 1 0 355.460 2.139 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000184924411 547901275 /nfs/dbraw/zinc/90/12/75/547901275.db2.gz VZEPJHWPOPCXJO-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@@H]12 ZINC000184965677 547908216 /nfs/dbraw/zinc/90/82/16/547908216.db2.gz QWIVNUPZWDXWJJ-BMGDILEWSA-N 1 0 361.445 2.350 20 5 FEBDRO COc1cc(OCC(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185432939 547983757 /nfs/dbraw/zinc/98/37/57/547983757.db2.gz VCMAZEFIEHSGHC-CQSZACIVSA-N 1 0 365.430 2.363 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186654793 548167257 /nfs/dbraw/zinc/16/72/57/548167257.db2.gz SLGXNKIHMPEAQW-PXNSSMCTSA-N 1 0 370.405 2.466 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186769638 548189289 /nfs/dbraw/zinc/18/92/89/548189289.db2.gz JHCUSAJITHJQKY-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO C[C@@H](O)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000194018546 548422858 /nfs/dbraw/zinc/42/28/58/548422858.db2.gz KDGOKDYYQAKLNN-NWDGAFQWSA-N 1 0 363.439 2.337 20 5 FEBDRO COc1cc(CCNC(=O)[C@@](C)([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000195236254 548600204 /nfs/dbraw/zinc/60/02/04/548600204.db2.gz BBBNKKUWNXLIGV-IBGZPJMESA-N 1 0 373.409 2.145 20 5 FEBDRO CCOc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152332 561364985 /nfs/dbraw/zinc/36/49/85/561364985.db2.gz RQFPCIVPQREUFO-RDJZCZTQSA-N 1 0 362.474 2.456 20 5 FEBDRO CCOc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152331 561365057 /nfs/dbraw/zinc/36/50/57/561365057.db2.gz RQFPCIVPQREUFO-NVXWUHKLSA-N 1 0 362.474 2.456 20 5 FEBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237278971 548814526 /nfs/dbraw/zinc/81/45/26/548814526.db2.gz MTQDPTSHXATQRJ-SECBINFHSA-N 1 0 368.242 2.274 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]CCCS(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000237287776 548815124 /nfs/dbraw/zinc/81/51/24/548815124.db2.gz JHZRYDKCTJXEBY-UHFFFAOYSA-N 1 0 368.411 2.388 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000488216290 561386299 /nfs/dbraw/zinc/38/62/99/561386299.db2.gz JKSDUQZQYWXHKS-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000246021838 549038112 /nfs/dbraw/zinc/03/81/12/549038112.db2.gz KBGADVULYCLOFS-JZXOWHBKSA-N 1 0 361.442 2.141 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246114370 549055775 /nfs/dbraw/zinc/05/57/75/549055775.db2.gz IPIGHEZTMUJLDO-BBRMVZONSA-N 1 0 355.460 2.087 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164075 549067811 /nfs/dbraw/zinc/06/78/11/549067811.db2.gz OJOGLGULLPDYFY-KGLIPLIRSA-N 1 0 364.446 2.204 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246342606 549110387 /nfs/dbraw/zinc/11/03/87/549110387.db2.gz JAXNYBRGLSBLSI-VHSXEESVSA-N 1 0 357.794 2.316 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246407632 549127136 /nfs/dbraw/zinc/12/71/36/549127136.db2.gz QOAUUHXPNNTJMN-SUMWQHHRSA-N 1 0 365.455 2.232 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762138 561396395 /nfs/dbraw/zinc/39/63/95/561396395.db2.gz CKXLHXROVAJKHN-OZVIIMIRSA-N 1 0 357.414 2.410 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000489304940 561407630 /nfs/dbraw/zinc/40/76/30/561407630.db2.gz JUYLJSHWQIKTBJ-CQSZACIVSA-N 1 0 351.403 2.024 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248429871 549434990 /nfs/dbraw/zinc/43/49/90/549434990.db2.gz QZQCYQNHMDTJOP-ZNMIVQPWSA-N 1 0 369.487 2.381 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000248452845 549441207 /nfs/dbraw/zinc/44/12/07/549441207.db2.gz JUQJNNLSBQFNIE-INMHGKMJSA-N 1 0 360.414 2.114 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248470205 549446504 /nfs/dbraw/zinc/44/65/04/549446504.db2.gz HQHYJDQETZLAOD-CMPLNLGQSA-N 1 0 359.423 2.146 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000248587456 549463569 /nfs/dbraw/zinc/46/35/69/549463569.db2.gz GJFOYBSPNANPMU-LJUAHTATSA-N 1 0 354.204 2.167 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248918125 549528541 /nfs/dbraw/zinc/52/85/41/549528541.db2.gz WIHHHAQWLMASHY-RHSMWYFYSA-N 1 0 371.441 2.127 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249130890 549556767 /nfs/dbraw/zinc/55/67/67/549556767.db2.gz UUWLIFXJTDZYNH-DZGCQCFKSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249265186 549574034 /nfs/dbraw/zinc/57/40/34/549574034.db2.gz ZMMPRVTWZMFKJW-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H]1SCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000252480399 549666364 /nfs/dbraw/zinc/66/63/64/549666364.db2.gz AIUQNMWDVLXJOP-IAOVAPTHSA-N 1 0 362.455 2.331 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000252653423 549675908 /nfs/dbraw/zinc/67/59/08/549675908.db2.gz YUBSJNOUHRJOIL-YJLNNSPDSA-N 1 0 359.426 2.327 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253552279 549695461 /nfs/dbraw/zinc/69/54/61/549695461.db2.gz YTEKONVNLVVDCG-BDJLRTHQSA-N 1 0 358.398 2.307 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261601469 549733276 /nfs/dbraw/zinc/73/32/76/549733276.db2.gz BLPAZMKUUBOMDT-OAHLLOKOSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261818103 549758972 /nfs/dbraw/zinc/75/89/72/549758972.db2.gz WKWDKAAMTLRUTJ-ZWNOBZJWSA-N 1 0 361.851 2.447 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262392449 549816611 /nfs/dbraw/zinc/81/66/11/549816611.db2.gz OJVJNOHDMFEQRM-YOEHRIQHSA-N 1 0 358.373 2.192 20 5 FEBDRO O=C(NCCC[NH+]1CCC(O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000263912034 549954367 /nfs/dbraw/zinc/95/43/67/549954367.db2.gz MKJSQYMAVJCWCU-UHFFFAOYSA-N 1 0 356.810 2.217 20 5 FEBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264148168 549985314 /nfs/dbraw/zinc/98/53/14/549985314.db2.gz GZBKEZMTZAXOPB-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCS[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000268975590 550139814 /nfs/dbraw/zinc/13/98/14/550139814.db2.gz OVKSCCFOZSRNIN-CZUORRHYSA-N 1 0 354.428 2.189 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000493573125 561456903 /nfs/dbraw/zinc/45/69/03/561456903.db2.gz NPGYFZYYMDWQAP-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO COCC1(O)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000270418480 550270657 /nfs/dbraw/zinc/27/06/57/550270657.db2.gz ZIJCUORNZIKQMN-UHFFFAOYSA-N 1 0 361.398 2.266 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000270947454 550324351 /nfs/dbraw/zinc/32/43/51/550324351.db2.gz LEDYWCJGHGKGHP-UHFFFAOYSA-N 1 0 353.419 2.398 20 5 FEBDRO C[N@@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(C)(C)C1 ZINC000270954880 550325189 /nfs/dbraw/zinc/32/51/89/550325189.db2.gz WDDOFPSTQHXPSJ-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000271143791 550345198 /nfs/dbraw/zinc/34/51/98/550345198.db2.gz OXAMYIBFLUBXCC-CHWSQXEVSA-N 1 0 358.485 2.490 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494155950 561463625 /nfs/dbraw/zinc/46/36/25/561463625.db2.gz YTQGDYFICIPHQX-UHFFFAOYSA-N 1 0 370.365 2.052 20 5 FEBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248344 561465643 /nfs/dbraw/zinc/46/56/43/561465643.db2.gz QXANNAAHNVWJKN-LKFCYVNXSA-N 1 0 372.219 2.453 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000271983929 550414749 /nfs/dbraw/zinc/41/47/49/550414749.db2.gz OUHBMDDJEWDBLK-UHFFFAOYSA-N 1 0 358.442 2.189 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000272305381 550436168 /nfs/dbraw/zinc/43/61/68/550436168.db2.gz RAMVXZMGEHUFOB-SFYZADRCSA-N 1 0 360.183 2.306 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000273231297 550490649 /nfs/dbraw/zinc/49/06/49/550490649.db2.gz FUDPYJDSFACPHL-LBPRGKRZSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494644548 561473151 /nfs/dbraw/zinc/47/31/51/561473151.db2.gz CHUWIBARBJAWHY-AWEZNQCLSA-N 1 0 370.452 2.062 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274913548 550564536 /nfs/dbraw/zinc/56/45/36/550564536.db2.gz KGYQPFXOWLXULL-OAHLLOKOSA-N 1 0 357.414 2.267 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC[NH2+]CC2 ZINC000276770509 550594059 /nfs/dbraw/zinc/59/40/59/550594059.db2.gz VSQXKBKHGXGIDV-UHFFFAOYSA-N 1 0 354.410 2.125 20 5 FEBDRO CC(C)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276858327 550603996 /nfs/dbraw/zinc/60/39/96/550603996.db2.gz AKYIKQGXVLOMMI-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068647 550627974 /nfs/dbraw/zinc/62/79/74/550627974.db2.gz DRRCMGKHVPJQFA-DOMZBBRYSA-N 1 0 358.485 2.488 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000277115432 550633895 /nfs/dbraw/zinc/63/38/95/550633895.db2.gz XXPLCEFNYGRVEV-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000277381972 550663825 /nfs/dbraw/zinc/66/38/25/550663825.db2.gz WNQCOYVOWRYMDW-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468245 550674177 /nfs/dbraw/zinc/67/41/77/550674177.db2.gz PJMXNUHHFOTNPD-GJZGRUSLSA-N 1 0 364.446 2.456 20 5 FEBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823329 550825990 /nfs/dbraw/zinc/82/59/90/550825990.db2.gz CMPYZMNZVLQXIX-HZPDHXFCSA-N 1 0 368.821 2.125 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000279236782 550868165 /nfs/dbraw/zinc/86/81/65/550868165.db2.gz JQIFWFHAQOFFOW-JSGCOSHPSA-N 1 0 351.403 2.073 20 5 FEBDRO C[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000279340137 550879312 /nfs/dbraw/zinc/87/93/12/550879312.db2.gz IFVMQKLPDYZHFD-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000279342868 550879755 /nfs/dbraw/zinc/87/97/55/550879755.db2.gz PXHUDKWANMJAFF-SJCJKPOMSA-N 1 0 363.414 2.431 20 5 FEBDRO O=[N+]([O-])c1cnc2c(c1)CN(C[C@@H](O)COc1cccc3[nH]ccc31)CC2 ZINC000495443604 561487874 /nfs/dbraw/zinc/48/78/74/561487874.db2.gz DLUWJLWZTRJYJN-OAHLLOKOSA-N 1 0 368.393 2.269 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000279717095 550920805 /nfs/dbraw/zinc/92/08/05/550920805.db2.gz UDCKDJKOJZVCLC-UKRRQHHQSA-N 1 0 352.456 2.473 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000496355361 561493547 /nfs/dbraw/zinc/49/35/47/561493547.db2.gz HQLIBPHOCNVFRM-UHFFFAOYSA-N 1 0 359.430 2.409 20 5 FEBDRO CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000281296941 551082278 /nfs/dbraw/zinc/08/22/78/551082278.db2.gz YKIHKVWKBLSAQH-BLLLJJGKSA-N 1 0 357.414 2.194 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H](CC[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000281598356 551118544 /nfs/dbraw/zinc/11/85/44/551118544.db2.gz ABQJYFHXOPLWKG-GFCCVEGCSA-N 1 0 350.375 2.321 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281665785 551127770 /nfs/dbraw/zinc/12/77/70/551127770.db2.gz CVIMHOMYNZPRBM-UHFFFAOYSA-N 1 0 362.474 2.015 20 5 FEBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894520 551154449 /nfs/dbraw/zinc/15/44/49/551154449.db2.gz BDHFHVFOSKPTNH-XNJGSVPQSA-N 1 0 361.398 2.197 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000281910478 551156764 /nfs/dbraw/zinc/15/67/64/551156764.db2.gz CEEJDCNMCJMVQK-RDJZCZTQSA-N 1 0 350.415 2.273 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000281918028 551157928 /nfs/dbraw/zinc/15/79/28/551157928.db2.gz JHCFCVANODTCGI-JTQLQIEISA-N 1 0 373.356 2.406 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000283030983 551300405 /nfs/dbraw/zinc/30/04/05/551300405.db2.gz HRBILHCEHMJGON-VHSXEESVSA-N 1 0 357.794 2.364 20 5 FEBDRO C[NH+](C)C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000283058887 551304774 /nfs/dbraw/zinc/30/47/74/551304774.db2.gz WKUBPJRCYSAHPM-OAHLLOKOSA-N 1 0 365.821 2.254 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000283121508 551314996 /nfs/dbraw/zinc/31/49/96/551314996.db2.gz MZMNBDAOLOCVIV-NWDGAFQWSA-N 1 0 367.402 2.109 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276646 551340308 /nfs/dbraw/zinc/34/03/08/551340308.db2.gz WXHSFCUJCATINT-NEPJUHHUSA-N 1 0 367.402 2.109 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000283306770 551345181 /nfs/dbraw/zinc/34/51/81/551345181.db2.gz YTOSKRXCFCNDIZ-MNOVXSKESA-N 1 0 355.366 2.240 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)Cc1ccccc1 ZINC000498099022 561516162 /nfs/dbraw/zinc/51/61/62/561516162.db2.gz SRCZBBNDSIOOGE-KRWDZBQOSA-N 1 0 373.457 2.169 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549143 561527757 /nfs/dbraw/zinc/52/77/57/561527757.db2.gz GBTLKMFDFCJUQP-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000498557991 561528463 /nfs/dbraw/zinc/52/84/63/561528463.db2.gz XNPZQASJBBJRIP-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284898298 551662110 /nfs/dbraw/zinc/66/21/10/551662110.db2.gz RRNOFBVWVNONRE-SJORKVTESA-N 1 0 372.425 2.197 20 5 FEBDRO CCOc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000498709903 561532288 /nfs/dbraw/zinc/53/22/88/561532288.db2.gz MOYXJRJOWYEFCE-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+][C@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000285290099 551732785 /nfs/dbraw/zinc/73/27/85/551732785.db2.gz GGVHOMWGCKEFBA-INIZCTEOSA-N 1 0 360.418 2.347 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285396435 551749465 /nfs/dbraw/zinc/74/94/65/551749465.db2.gz DPFLSAQMLSVJIP-UHFFFAOYSA-N 1 0 351.447 2.154 20 5 FEBDRO CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1(CO)CC1 ZINC000285503542 551766235 /nfs/dbraw/zinc/76/62/35/551766235.db2.gz MXRCRDSFQHIJED-UHFFFAOYSA-N 1 0 362.411 2.114 20 5 FEBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508406 551767460 /nfs/dbraw/zinc/76/74/60/551767460.db2.gz NUOBKRLAFGDXCM-HZPDHXFCSA-N 1 0 351.403 2.181 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843083 551817791 /nfs/dbraw/zinc/81/77/91/551817791.db2.gz OUTJUOJFBPCNEN-CABCVRRESA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917171 551826831 /nfs/dbraw/zinc/82/68/31/551826831.db2.gz SSKZBQYEZHRBHD-CHWSQXEVSA-N 1 0 351.378 2.198 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285977706 551833861 /nfs/dbraw/zinc/83/38/61/551833861.db2.gz LVABWNVGJJZFKD-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO CC(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000286013104 551838344 /nfs/dbraw/zinc/83/83/44/551838344.db2.gz FEWXQYQZJVSGPK-CYBMUJFWSA-N 1 0 364.475 2.283 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)CC1 ZINC000286126586 551851700 /nfs/dbraw/zinc/85/17/00/551851700.db2.gz FNWAFJHVENHBJD-CYBMUJFWSA-N 1 0 357.414 2.412 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499124827 561544182 /nfs/dbraw/zinc/54/41/82/561544182.db2.gz OWJHIPXFUAWFAL-CYBMUJFWSA-N 1 0 367.471 2.038 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000286442125 551885673 /nfs/dbraw/zinc/88/56/73/551885673.db2.gz QENQOCMUMFCQIP-GJZGRUSLSA-N 1 0 372.425 2.401 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287841075 552053423 /nfs/dbraw/zinc/05/34/23/552053423.db2.gz RNWYJIOMNIMZTG-LLVKDONJSA-N 1 0 363.443 2.289 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000288187017 552106516 /nfs/dbraw/zinc/10/65/16/552106516.db2.gz GCNAMFPVYHZFPG-GOSISDBHSA-N 1 0 361.442 2.239 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000288735277 552203245 /nfs/dbraw/zinc/20/32/45/552203245.db2.gz OEZQKDKZBARVMX-UHFFFAOYSA-N 1 0 364.427 2.312 20 5 FEBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500096293 561565806 /nfs/dbraw/zinc/56/58/06/561565806.db2.gz IHAGWESNHXDTCQ-MRXNPFEDSA-N 1 0 362.430 2.256 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500151416 561566943 /nfs/dbraw/zinc/56/69/43/561566943.db2.gz AEJAWTOHNMISSA-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289474084 552327019 /nfs/dbraw/zinc/32/70/19/552327019.db2.gz XHIJOUAORNOIHG-HOTGVXAUSA-N 1 0 351.357 2.105 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289590099 552345698 /nfs/dbraw/zinc/34/56/98/552345698.db2.gz PPMWYDWUPSZWRW-JLSDUUJJSA-N 1 0 362.426 2.368 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000289610725 552349097 /nfs/dbraw/zinc/34/90/97/552349097.db2.gz YIQVCDLCXIJJMS-QGZVFWFLSA-N 1 0 366.421 2.331 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000289809603 552382272 /nfs/dbraw/zinc/38/22/72/552382272.db2.gz NUODOKNVZNAFSK-CQSZACIVSA-N 1 0 363.462 2.305 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000289910827 552397924 /nfs/dbraw/zinc/39/79/24/552397924.db2.gz VAFKMVRBMXZDFF-ZDUSSCGKSA-N 1 0 364.446 2.466 20 5 FEBDRO CN1c2ccc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc2CCC1=O ZINC000289949110 552404620 /nfs/dbraw/zinc/40/46/20/552404620.db2.gz XTLVUHXXDOFGLM-UHFFFAOYSA-N 1 0 354.410 2.469 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514302 552491013 /nfs/dbraw/zinc/49/10/13/552491013.db2.gz AYFOABAXOGXAHA-IUODEOHRSA-N 1 0 355.398 2.021 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290785738 552537640 /nfs/dbraw/zinc/53/76/40/552537640.db2.gz CRGRMSOQUXNJRK-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO NC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000290806206 552541401 /nfs/dbraw/zinc/54/14/01/552541401.db2.gz FSKTWAPKWUXBIO-UHFFFAOYSA-N 1 0 362.213 2.273 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000291232679 552603701 /nfs/dbraw/zinc/60/37/01/552603701.db2.gz ITTFUMLGCAEUHE-GXTWGEPZSA-N 1 0 362.430 2.037 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291984696 552681567 /nfs/dbraw/zinc/68/15/67/552681567.db2.gz ZJDNHJRMHPMQHH-DOMZBBRYSA-N 1 0 357.414 2.273 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292091290 552693088 /nfs/dbraw/zinc/69/30/88/552693088.db2.gz SKJTZUQWDXCCAL-GFCCVEGCSA-N 1 0 371.434 2.229 20 5 FEBDRO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292354789 552719017 /nfs/dbraw/zinc/71/90/17/552719017.db2.gz PZGFDWVLFJNNDK-RDJZCZTQSA-N 1 0 363.458 2.141 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000292711982 552751946 /nfs/dbraw/zinc/75/19/46/552751946.db2.gz FFNVJKXIHKILII-OAHLLOKOSA-N 1 0 373.862 2.355 20 5 FEBDRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962702 552775135 /nfs/dbraw/zinc/77/51/35/552775135.db2.gz FVIVYWVQZBEGBX-QAPCUYQASA-N 1 0 352.431 2.065 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293407179 552820278 /nfs/dbraw/zinc/82/02/78/552820278.db2.gz MYCKDJISIKTYDK-RHSMWYFYSA-N 1 0 358.442 2.409 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293501403 552830267 /nfs/dbraw/zinc/83/02/67/552830267.db2.gz SNLQGTVPFVZWHJ-AAEUAGOBSA-N 1 0 353.806 2.228 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293769627 552854755 /nfs/dbraw/zinc/85/47/55/552854755.db2.gz ARVBDQOGGRFNPF-JKSUJKDBSA-N 1 0 367.833 2.112 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000294079249 552880184 /nfs/dbraw/zinc/88/01/84/552880184.db2.gz JPADXBOSGAYABY-IBGZPJMESA-N 1 0 370.409 2.407 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294823096 552936864 /nfs/dbraw/zinc/93/68/64/552936864.db2.gz CUHDSOPNCYGSHK-ZDUSSCGKSA-N 1 0 357.414 2.399 20 5 FEBDRO COC[C@]1(C(=O)OC)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000295034364 552952837 /nfs/dbraw/zinc/95/28/37/552952837.db2.gz SFKGMYLEFCFOSY-SFHVURJKSA-N 1 0 359.382 2.467 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295296914 552983261 /nfs/dbraw/zinc/98/32/61/552983261.db2.gz JAUXTXLKEUATPH-JTQLQIEISA-N 1 0 361.427 2.156 20 5 FEBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295321208 552987001 /nfs/dbraw/zinc/98/70/01/552987001.db2.gz WKQFQWDJLRJQCV-KFWWJZLASA-N 1 0 366.414 2.046 20 5 FEBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295462932 553010712 /nfs/dbraw/zinc/01/07/12/553010712.db2.gz QHLQPDIQSHJIGG-WMZOPIPTSA-N 1 0 372.425 2.197 20 5 FEBDRO CC(C)(C)OC(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)C[C@](C)(F)C1 ZINC000295798299 553060103 /nfs/dbraw/zinc/06/01/03/553060103.db2.gz VTXZNSOTDQRAEC-INIZCTEOSA-N 1 0 371.413 2.072 20 5 FEBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+](C2CC2)C1 ZINC000296866364 553222477 /nfs/dbraw/zinc/22/24/77/553222477.db2.gz ZHFKLSGBPSRGAP-ZDUSSCGKSA-N 1 0 364.421 2.479 20 5 FEBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCc2sccc2C1 ZINC000298297888 553409541 /nfs/dbraw/zinc/40/95/41/553409541.db2.gz LASZLTOOWPKPQD-JTQLQIEISA-N 1 0 361.427 2.009 20 5 FEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000298530776 553436550 /nfs/dbraw/zinc/43/65/50/553436550.db2.gz WUQPLTCCWYUYSF-CHWSQXEVSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000298562627 553441253 /nfs/dbraw/zinc/44/12/53/553441253.db2.gz PPSDJXMJWPHDMI-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000298797499 553474422 /nfs/dbraw/zinc/47/44/22/553474422.db2.gz DRXODPMQDVISRE-CABCVRRESA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000298828542 553478175 /nfs/dbraw/zinc/47/81/75/553478175.db2.gz GUIRTWUZKAUHHO-CABCVRRESA-N 1 0 374.441 2.235 20 5 FEBDRO Nc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000298927453 553490579 /nfs/dbraw/zinc/49/05/79/553490579.db2.gz DFQYNUDMZQWFJP-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000299143126 553520891 /nfs/dbraw/zinc/52/08/91/553520891.db2.gz UHOSKYLCTDMAOD-AWEZNQCLSA-N 1 0 363.443 2.196 20 5 FEBDRO COC(=O)CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000299217995 553532493 /nfs/dbraw/zinc/53/24/93/553532493.db2.gz IEGYUOPGNCYFBO-UHFFFAOYSA-N 1 0 367.402 2.206 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CO)CC(C)C ZINC000299223154 553533058 /nfs/dbraw/zinc/53/30/58/553533058.db2.gz HZRLWIJAPKZGSH-AWEZNQCLSA-N 1 0 353.419 2.271 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301162606 553627434 /nfs/dbraw/zinc/62/74/34/553627434.db2.gz HQRIEHOPBJTVAH-LBPRGKRZSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000301617530 553666148 /nfs/dbraw/zinc/66/61/48/553666148.db2.gz KMVAKUYMXUDAIE-OCCSQVGLSA-N 1 0 355.398 2.164 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301792524 553679637 /nfs/dbraw/zinc/67/96/37/553679637.db2.gz RGTYWYRMAPTFJA-GUYCJALGSA-N 1 0 358.442 2.408 20 5 FEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000301880109 553687937 /nfs/dbraw/zinc/68/79/37/553687937.db2.gz PCVFWUSAXDPGNG-LLVKDONJSA-N 1 0 371.235 2.418 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000302800557 553733689 /nfs/dbraw/zinc/73/36/89/553733689.db2.gz CBHWOULOYDEAGZ-HNNXBMFYSA-N 1 0 366.849 2.299 20 5 FEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000505590017 561674705 /nfs/dbraw/zinc/67/47/05/561674705.db2.gz JQAVNPCSYKZTOD-UHFFFAOYSA-N 1 0 364.409 2.498 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000325002932 553774391 /nfs/dbraw/zinc/77/43/91/553774391.db2.gz ZSLJMHWOZJVSRT-CABCVRRESA-N 1 0 353.444 2.198 20 5 FEBDRO C[C@@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507891380 561744946 /nfs/dbraw/zinc/74/49/46/561744946.db2.gz SMKWFFAKLMWLER-KGLIPLIRSA-N 1 0 355.460 2.289 20 5 FEBDRO C[C@@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952533 561747010 /nfs/dbraw/zinc/74/70/10/561747010.db2.gz SAXBVXAXSSIJMV-KGLIPLIRSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000331043614 554205296 /nfs/dbraw/zinc/20/52/96/554205296.db2.gz DQIBPCUAZRZFOW-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1C ZINC000331095647 554211912 /nfs/dbraw/zinc/21/19/12/554211912.db2.gz LNDNJOGCEWVWRL-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621654 554296944 /nfs/dbraw/zinc/29/69/44/554296944.db2.gz FHZPJDMULLQVSM-LSDHHAIUSA-N 1 0 351.428 2.130 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331832362 554327058 /nfs/dbraw/zinc/32/70/58/554327058.db2.gz ACTJISHCCKLUGZ-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000332080833 554375935 /nfs/dbraw/zinc/37/59/35/554375935.db2.gz KOMHZUZNXJBGML-HIFRSBDPSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000332081941 554376454 /nfs/dbraw/zinc/37/64/54/554376454.db2.gz NHNFLNLCQIQELB-HIFRSBDPSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332084193 554377184 /nfs/dbraw/zinc/37/71/84/554377184.db2.gz PLYMQBFGQYXBIB-HUUCEWRRSA-N 1 0 365.455 2.255 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000332243475 554408300 /nfs/dbraw/zinc/40/83/00/554408300.db2.gz AGJBHKOPODDUFR-OLZOCXBDSA-N 1 0 359.835 2.153 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337587 554428433 /nfs/dbraw/zinc/42/84/33/554428433.db2.gz WDZHPFVRAZPWOT-HUUCEWRRSA-N 1 0 370.247 2.262 20 5 FEBDRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371392 554433515 /nfs/dbraw/zinc/43/35/15/554433515.db2.gz BCOXEHUYUOMCPD-DOTOQJQBSA-N 1 0 362.474 2.061 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000332445831 554447364 /nfs/dbraw/zinc/44/73/64/554447364.db2.gz KUPBWLBVYZFPFK-KPZWWZAWSA-N 1 0 360.414 2.274 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000332526145 554462928 /nfs/dbraw/zinc/46/29/28/554462928.db2.gz OUZZRNAOJKSGOI-DOMZBBRYSA-N 1 0 361.398 2.080 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000332569064 554473610 /nfs/dbraw/zinc/47/36/10/554473610.db2.gz CITFZGXIRIWATG-OCCSQVGLSA-N 1 0 353.444 2.069 20 5 FEBDRO COc1ccc(CNC(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000510336062 561831791 /nfs/dbraw/zinc/83/17/91/561831791.db2.gz JNTQLWFIQLHFCL-UHFFFAOYSA-N 1 0 362.430 2.373 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000333998377 554666837 /nfs/dbraw/zinc/66/68/37/554666837.db2.gz PSTNWNBKTWHFDM-UTUOFQBUSA-N 1 0 352.410 2.412 20 5 FEBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000510933517 561851279 /nfs/dbraw/zinc/85/12/79/561851279.db2.gz DLWJBQCNUFJRDH-UHFFFAOYSA-N 1 0 365.430 2.058 20 5 FEBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000360091544 554862632 /nfs/dbraw/zinc/86/26/32/554862632.db2.gz DPAOHCKSBMACHG-HNNXBMFYSA-N 1 0 357.414 2.347 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)cc2N1 ZINC000360231379 554868385 /nfs/dbraw/zinc/86/83/85/554868385.db2.gz VXWMQCMONPQEQW-YOEHRIQHSA-N 1 0 374.441 2.392 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000361110197 554904989 /nfs/dbraw/zinc/90/49/89/554904989.db2.gz VOVHROHWXDRCTD-XHDPSFHLSA-N 1 0 352.822 2.213 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511491546 561870767 /nfs/dbraw/zinc/87/07/67/561870767.db2.gz GOKFKUQLECLAIK-MCKRRDHZSA-N 1 0 361.442 2.471 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000362709311 554983165 /nfs/dbraw/zinc/98/31/65/554983165.db2.gz DQFKXYVVHLQZKI-OAHLLOKOSA-N 1 0 367.409 2.443 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000363106492 555031947 /nfs/dbraw/zinc/03/19/47/555031947.db2.gz OLTIEMVVSVZNIN-UHFFFAOYSA-N 1 0 357.414 2.391 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363257804 555065635 /nfs/dbraw/zinc/06/56/35/555065635.db2.gz BAFDXXXRLWUIHS-JLJPHGGASA-N 1 0 365.455 2.008 20 5 FEBDRO CC(C)c1ccc(C[NH2+]C2CCN(c3nnnn3C)CC2)cc1[N+](=O)[O-] ZINC000363490706 555119007 /nfs/dbraw/zinc/11/90/07/555119007.db2.gz SFYRGXFKENIJGX-UHFFFAOYSA-N 1 0 359.434 2.000 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363648434 555154380 /nfs/dbraw/zinc/15/43/80/555154380.db2.gz KDMCXHLEZDFGFR-UHFFFAOYSA-N 1 0 355.822 2.433 20 5 FEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364201004 555268141 /nfs/dbraw/zinc/26/81/41/555268141.db2.gz MFVQWNLQCBZUGP-CQSZACIVSA-N 1 0 369.425 2.309 20 5 FEBDRO Nc1c(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204391 555269274 /nfs/dbraw/zinc/26/92/74/555269274.db2.gz KLBQSBHBZGAXDB-KBPBESRZSA-N 1 0 362.336 2.022 20 5 FEBDRO COCCC[N@@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364312691 555289382 /nfs/dbraw/zinc/28/93/82/555289382.db2.gz ZLJYZCPHPQHIHQ-UHFFFAOYSA-N 1 0 362.430 2.028 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581407 555344563 /nfs/dbraw/zinc/34/45/63/555344563.db2.gz QHKQLYDTKNMWBP-JYJNAYRXSA-N 1 0 359.426 2.468 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512450346 561905413 /nfs/dbraw/zinc/90/54/13/561905413.db2.gz RKBGGYQZCKFZKC-UHFFFAOYSA-N 1 0 360.458 2.292 20 5 FEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000512621217 561910537 /nfs/dbraw/zinc/91/05/37/561910537.db2.gz VMHXBKZGDNKPRK-DVOMOZLQSA-N 1 0 355.460 2.287 20 5 FEBDRO C[NH+](C)CCN1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000365053262 555474454 /nfs/dbraw/zinc/47/44/54/555474454.db2.gz MEQQEODJOHUPMT-UHFFFAOYSA-N 1 0 361.368 2.082 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000365057906 555475491 /nfs/dbraw/zinc/47/54/91/555475491.db2.gz CTIVIZRVKLSZQX-OCCSQVGLSA-N 1 0 359.835 2.140 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365059571 555475875 /nfs/dbraw/zinc/47/58/75/555475875.db2.gz ZYRIWHVXUFFMDB-ZIAGYGMSSA-N 1 0 359.835 2.140 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000365082279 555481139 /nfs/dbraw/zinc/48/11/39/555481139.db2.gz JQCICRUBYDFAMT-OLZOCXBDSA-N 1 0 373.413 2.040 20 5 FEBDRO O=C(N[C@@H]1CCc2nc[nH]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205701 555510660 /nfs/dbraw/zinc/51/06/60/555510660.db2.gz SYAIHFHEWBSYQG-ZCFIWIBFSA-N 1 0 371.216 2.429 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000365519075 555597449 /nfs/dbraw/zinc/59/74/49/555597449.db2.gz VTMCHLUNUNJGPI-OAHLLOKOSA-N 1 0 352.341 2.440 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365550003 555606505 /nfs/dbraw/zinc/60/65/05/555606505.db2.gz SNKBPUVQYFMSOF-UWWQBHOKSA-N 1 0 358.442 2.258 20 5 FEBDRO Cc1cn2c(n1)CC[C@@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C2 ZINC000365591788 555617273 /nfs/dbraw/zinc/61/72/73/555617273.db2.gz FKNVTHRQRDOMGT-CYBMUJFWSA-N 1 0 364.427 2.010 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])c1 ZINC000365808127 555671918 /nfs/dbraw/zinc/67/19/18/555671918.db2.gz YMKILWSCCFWCEF-ZDUSSCGKSA-N 1 0 358.358 2.052 20 5 FEBDRO CCN(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000365870701 555688621 /nfs/dbraw/zinc/68/86/21/555688621.db2.gz HHYPTZIPZCNZKJ-UHFFFAOYSA-N 1 0 357.414 2.481 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000365910963 555698939 /nfs/dbraw/zinc/69/89/39/555698939.db2.gz BQFRMTVYXPOWQM-HZPDHXFCSA-N 1 0 362.430 2.275 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366197445 555778519 /nfs/dbraw/zinc/77/85/19/555778519.db2.gz SIWFSVVHHIZCEF-OAHLLOKOSA-N 1 0 355.398 2.027 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1[N+](=O)[O-] ZINC000366334998 555814776 /nfs/dbraw/zinc/81/47/76/555814776.db2.gz URAPGZZEBUUYRI-XJKSGUPXSA-N 1 0 362.430 2.127 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000366439699 555844528 /nfs/dbraw/zinc/84/45/28/555844528.db2.gz PJCCHYWSBHBCMC-BPQIPLTHSA-N 1 0 361.442 2.238 20 5 FEBDRO O=C(Nc1ccccn1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000366699068 555912100 /nfs/dbraw/zinc/91/21/00/555912100.db2.gz IPWBEAOYUHRVQI-QGZVFWFLSA-N 1 0 370.409 2.374 20 5 FEBDRO CNc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000514770104 561978434 /nfs/dbraw/zinc/97/84/34/561978434.db2.gz LADNNSHKLDIESK-INIZCTEOSA-N 1 0 370.409 2.455 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000367594813 556092576 /nfs/dbraw/zinc/09/25/76/556092576.db2.gz SZTAHRHKYIZYCY-WBVHZDCISA-N 1 0 370.409 2.061 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830698 556149504 /nfs/dbraw/zinc/14/95/04/556149504.db2.gz IHWDFFPQHLRFEN-NVXWUHKLSA-N 1 0 363.458 2.283 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000514934944 561987676 /nfs/dbraw/zinc/98/76/76/561987676.db2.gz SOLUMDZRKOEJSC-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367909059 556170140 /nfs/dbraw/zinc/17/01/40/556170140.db2.gz WTYBOJUWZIZLPA-OCCSQVGLSA-N 1 0 362.386 2.416 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000514953504 561988555 /nfs/dbraw/zinc/98/85/55/561988555.db2.gz XVUCNYIJWJUEOO-XJKSGUPXSA-N 1 0 364.421 2.101 20 5 FEBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368101601 556219108 /nfs/dbraw/zinc/21/91/08/556219108.db2.gz ZVHVAOVONIXBRU-ITDIGPHOSA-N 1 0 351.353 2.429 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368186025 556241898 /nfs/dbraw/zinc/24/18/98/556241898.db2.gz YMTBPJQXOHGTHL-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368382575 556293433 /nfs/dbraw/zinc/29/34/33/556293433.db2.gz ZNQJKBSOGCJEON-QWRGUYRKSA-N 1 0 350.375 2.148 20 5 FEBDRO CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@]2(CCOC2)O1 ZINC000368447457 556312122 /nfs/dbraw/zinc/31/21/22/556312122.db2.gz RUDCXQLRMAJDRL-SFHVURJKSA-N 1 0 374.397 2.415 20 5 FEBDRO Cn1cncc1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000515465376 562011396 /nfs/dbraw/zinc/01/13/96/562011396.db2.gz BZTFXVJRWGHBEV-UHFFFAOYSA-N 1 0 354.164 2.413 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000368844269 556427750 /nfs/dbraw/zinc/42/77/50/556427750.db2.gz KJAZKBVHXMMTIS-UHFFFAOYSA-N 1 0 366.487 2.146 20 5 FEBDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000515570612 562015802 /nfs/dbraw/zinc/01/58/02/562015802.db2.gz QTMOFHLYKZSTAB-YRBFXIGRSA-N 1 0 374.445 2.376 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369308982 556570811 /nfs/dbraw/zinc/57/08/11/556570811.db2.gz DLAQCZJEFGBDKK-DVBCCOPCSA-N 1 0 372.469 2.094 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000369412120 556594978 /nfs/dbraw/zinc/59/49/78/556594978.db2.gz PAULZJDCFOLTQZ-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccs1 ZINC000369560301 556631523 /nfs/dbraw/zinc/63/15/23/556631523.db2.gz GBIQADBWCOEUKB-QMTHXVAHSA-N 1 0 361.427 2.255 20 5 FEBDRO Cc1cccc(C)c1OC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369782305 556693007 /nfs/dbraw/zinc/69/30/07/556693007.db2.gz MMVQGJOHSVEFLH-QGZVFWFLSA-N 1 0 374.441 2.312 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000369830382 556706709 /nfs/dbraw/zinc/70/67/09/556706709.db2.gz PLELKKLBWYOYLY-LBPRGKRZSA-N 1 0 367.369 2.121 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1SC ZINC000370159310 556797262 /nfs/dbraw/zinc/79/72/62/556797262.db2.gz HZKUDTXKFVTTPJ-PWSUYJOCSA-N 1 0 351.428 2.149 20 5 FEBDRO O=C(CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000370310110 556836565 /nfs/dbraw/zinc/83/65/65/556836565.db2.gz XREGGUUPOWYMOY-QGZVFWFLSA-N 1 0 374.441 2.400 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502185 556893028 /nfs/dbraw/zinc/89/30/28/556893028.db2.gz AQWTWARFDFWZAO-MRXNPFEDSA-N 1 0 371.393 2.329 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370779782 556966250 /nfs/dbraw/zinc/96/62/50/556966250.db2.gz ORIAVIODCSVKHR-OAHLLOKOSA-N 1 0 367.833 2.160 20 5 FEBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927376 557019296 /nfs/dbraw/zinc/01/92/96/557019296.db2.gz IASNJQHMQRMEPH-KSSFIOAISA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000371359448 557160335 /nfs/dbraw/zinc/16/03/35/557160335.db2.gz JOSJATRYUYWBKD-NVXWUHKLSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1c([C@@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000371381508 557167745 /nfs/dbraw/zinc/16/77/45/557167745.db2.gz YRVMRPZPZBSPCB-KRWDZBQOSA-N 1 0 357.414 2.437 20 5 FEBDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517442157 562090508 /nfs/dbraw/zinc/09/05/08/562090508.db2.gz NBPPIWVKAFEJKS-HIFRSBDPSA-N 1 0 367.471 2.455 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371533083 557212295 /nfs/dbraw/zinc/21/22/95/557212295.db2.gz DDBSQRBRMYHZLZ-SCRDCRAPSA-N 1 0 373.438 2.156 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000371534471 557213635 /nfs/dbraw/zinc/21/36/35/557213635.db2.gz FPBQQBSDEVKBQS-AOIWGVFYSA-N 1 0 372.469 2.289 20 5 FEBDRO O=C([C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000371585208 557229906 /nfs/dbraw/zinc/22/99/06/557229906.db2.gz OJVUYGAFJXKLKT-HNNXBMFYSA-N 1 0 353.419 2.274 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000518020872 562102653 /nfs/dbraw/zinc/10/26/53/562102653.db2.gz UTKJTSUWGOBOLJ-UHFFFAOYSA-N 1 0 360.414 2.098 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372158193 557395388 /nfs/dbraw/zinc/39/53/88/557395388.db2.gz UAJZGXPARYXXKK-KGLIPLIRSA-N 1 0 363.414 2.290 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372175813 557400167 /nfs/dbraw/zinc/40/01/67/557400167.db2.gz MFKMLSFAKHAEMT-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000519143036 562125719 /nfs/dbraw/zinc/12/57/19/562125719.db2.gz KXOAYHUOTXAUIN-BHYGNILZSA-N 1 0 358.394 2.489 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000372368681 557452272 /nfs/dbraw/zinc/45/22/72/557452272.db2.gz VZLGAFKBPBKQDF-QAPCUYQASA-N 1 0 360.458 2.001 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000372465745 557478050 /nfs/dbraw/zinc/47/80/50/557478050.db2.gz WTYHQSRPXZGSIN-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO C[C@H](OC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000519600833 562136584 /nfs/dbraw/zinc/13/65/84/562136584.db2.gz YOVKLPUHZYJBOX-BLLLJJGKSA-N 1 0 368.821 2.173 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372907056 557585881 /nfs/dbraw/zinc/58/58/81/557585881.db2.gz PADJROPFSCMWLM-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951328 557595265 /nfs/dbraw/zinc/59/52/65/557595265.db2.gz WGLZXLZKKJXXPE-HZPDHXFCSA-N 1 0 374.441 2.059 20 5 FEBDRO COc1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777573 562143666 /nfs/dbraw/zinc/14/36/66/562143666.db2.gz VWENNSURUXWWBR-WCQYABFASA-N 1 0 371.384 2.289 20 5 FEBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373095212 557627871 /nfs/dbraw/zinc/62/78/71/557627871.db2.gz OTUNRJVJHPZOKQ-UHFFFAOYSA-N 1 0 370.409 2.352 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000373172769 557643456 /nfs/dbraw/zinc/64/34/56/557643456.db2.gz KROKIEXAUXODEY-ZDUSSCGKSA-N 1 0 363.395 2.202 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000373392397 557685558 /nfs/dbraw/zinc/68/55/58/557685558.db2.gz LTJIFBUVWRDWLY-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582807 557722627 /nfs/dbraw/zinc/72/26/27/557722627.db2.gz IAILUYXCMQWSKS-NVXWUHKLSA-N 1 0 360.414 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000373765136 557754078 /nfs/dbraw/zinc/75/40/78/557754078.db2.gz GWTRQVBAAYTVCB-MRXNPFEDSA-N 1 0 357.414 2.494 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373809616 557764444 /nfs/dbraw/zinc/76/44/44/557764444.db2.gz JVCKAHRIFDJRGP-KBXCAEBGSA-N 1 0 363.414 2.193 20 5 FEBDRO COc1ccccc1[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCN1 ZINC000374376704 557874304 /nfs/dbraw/zinc/87/43/04/557874304.db2.gz XYQGOXPORNUYIF-OAHLLOKOSA-N 1 0 371.393 2.399 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCN[C@H](c2cccc(F)c2)C1 ZINC000374391293 557877444 /nfs/dbraw/zinc/87/74/44/557877444.db2.gz XGAQNRHJCQBGQR-HNNXBMFYSA-N 1 0 359.357 2.286 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1OC ZINC000374437132 557883942 /nfs/dbraw/zinc/88/39/42/557883942.db2.gz MHQZLLXIQYLLOH-GFCCVEGCSA-N 1 0 374.397 2.424 20 5 FEBDRO O=C1[C@H](N2CCC([C@@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604960 557905648 /nfs/dbraw/zinc/90/56/48/557905648.db2.gz OOHFLYHSJQFVEA-CRAIPNDOSA-N 1 0 359.426 2.449 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000374755570 557926095 /nfs/dbraw/zinc/92/60/95/557926095.db2.gz SBUNNEVYDKTQAK-INIZCTEOSA-N 1 0 365.393 2.490 20 5 FEBDRO COc1cccc([C@H]2[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000374761896 557927162 /nfs/dbraw/zinc/92/71/62/557927162.db2.gz CAJAKILNYJMLBX-OALUTQOASA-N 1 0 371.441 2.368 20 5 FEBDRO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967337 557957333 /nfs/dbraw/zinc/95/73/33/557957333.db2.gz AXXRAPNIRRJKJQ-BZUAXINKSA-N 1 0 369.425 2.348 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000375051527 557970009 /nfs/dbraw/zinc/97/00/09/557970009.db2.gz WIWXHOPGOUBYSO-RBUKOAKNSA-N 1 0 369.421 2.408 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000375828037 558085849 /nfs/dbraw/zinc/08/58/49/558085849.db2.gz ARNNNRVZXQKVMQ-INIZCTEOSA-N 1 0 372.429 2.378 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000375878880 558092878 /nfs/dbraw/zinc/09/28/78/558092878.db2.gz GLTTUTLQVDQULS-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000376971119 558246323 /nfs/dbraw/zinc/24/63/23/558246323.db2.gz FVIBRDMQGJPABW-MLGOLLRUSA-N 1 0 350.394 2.089 20 5 FEBDRO CC(C)(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)n1cc([N+](=O)[O-])cn1 ZINC000522534870 562199566 /nfs/dbraw/zinc/19/95/66/562199566.db2.gz IUUOIEKWRYLJOS-UHFFFAOYSA-N 1 0 371.441 2.439 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(n3cc(Br)cn3)CC2)n1 ZINC000377964687 558453681 /nfs/dbraw/zinc/45/36/81/558453681.db2.gz PJXYWAKMKKWTJT-UHFFFAOYSA-N 1 0 369.223 2.087 20 5 FEBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000377985221 558458156 /nfs/dbraw/zinc/45/81/56/558458156.db2.gz CWRGKHMRWUGJKE-ZDUSSCGKSA-N 1 0 363.414 2.363 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000378248987 558511290 /nfs/dbraw/zinc/51/12/90/558511290.db2.gz FSYVNWJLYKUOSN-FGWVZKOKSA-N 1 0 359.835 2.281 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000378495749 558569850 /nfs/dbraw/zinc/56/98/50/558569850.db2.gz MLYHAZUWIMOACI-LPHOPBHVSA-N 1 0 358.394 2.274 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000408081341 558644248 /nfs/dbraw/zinc/64/42/48/558644248.db2.gz UXRTUPZSQXRORZ-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO COc1ccc(CC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000524315209 562226936 /nfs/dbraw/zinc/22/69/36/562226936.db2.gz SDDHYJCQYXTTNI-UHFFFAOYSA-N 1 0 369.421 2.320 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000524774935 562234495 /nfs/dbraw/zinc/23/44/95/562234495.db2.gz JSGYHKGFLABZLV-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411273037 558865656 /nfs/dbraw/zinc/86/56/56/558865656.db2.gz BYDLBSBQTDREOE-UHFFFAOYSA-N 1 0 355.394 2.043 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000525577537 562250593 /nfs/dbraw/zinc/25/05/93/562250593.db2.gz NNBQNQIHHAVGNM-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000411626478 558931587 /nfs/dbraw/zinc/93/15/87/558931587.db2.gz WTMYHNAUXKJHMH-ZENOOKHLSA-N 1 0 365.430 2.413 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000411652560 558936340 /nfs/dbraw/zinc/93/63/40/558936340.db2.gz UUTUXXCNLSYXER-KGLIPLIRSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525819732 562256235 /nfs/dbraw/zinc/25/62/35/562256235.db2.gz RSHBBKAJMQYAIO-SNVBAGLBSA-N 1 0 361.851 2.177 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412027223 559003761 /nfs/dbraw/zinc/00/37/61/559003761.db2.gz VDWURBSFCIDIKF-GFCCVEGCSA-N 1 0 351.403 2.479 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412132447 559016256 /nfs/dbraw/zinc/01/62/56/559016256.db2.gz MGTSDFSYOVFLJG-RBUKOAKNSA-N 1 0 374.485 2.088 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413057019 559073586 /nfs/dbraw/zinc/07/35/86/559073586.db2.gz WPOBSUFOYYERQF-NSHDSACASA-N 1 0 361.368 2.447 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000414178789 559151632 /nfs/dbraw/zinc/15/16/32/559151632.db2.gz JTCUIHCQFOFJIQ-INIZCTEOSA-N 1 0 363.458 2.435 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OCC ZINC000414758655 559185637 /nfs/dbraw/zinc/18/56/37/559185637.db2.gz MYFAKWZJQVAHQX-LLVKDONJSA-N 1 0 352.391 2.218 20 5 FEBDRO COc1cc(CN[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414870306 559192004 /nfs/dbraw/zinc/19/20/04/559192004.db2.gz SFVWPXMZNVQUGA-LLVKDONJSA-N 1 0 363.336 2.386 20 5 FEBDRO COc1cc(CNCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414913461 559194907 /nfs/dbraw/zinc/19/49/07/559194907.db2.gz ZYKBYTSYTHCSEB-GFCCVEGCSA-N 1 0 359.373 2.479 20 5 FEBDRO COC(=O)COc1ccc(CNC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414925307 559195511 /nfs/dbraw/zinc/19/55/11/559195511.db2.gz IOZAPSPDNPPUNA-INIZCTEOSA-N 1 0 365.430 2.014 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415423070 559234378 /nfs/dbraw/zinc/23/43/78/559234378.db2.gz FVWDWAIUJYQFMN-AWEZNQCLSA-N 1 0 362.430 2.174 20 5 FEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415493869 559243284 /nfs/dbraw/zinc/24/32/84/559243284.db2.gz DFCVGVVKCGTWQO-GFCCVEGCSA-N 1 0 356.810 2.019 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649219 559257917 /nfs/dbraw/zinc/25/79/17/559257917.db2.gz PLGPJBDQBWHZAN-NEPJUHHUSA-N 1 0 362.430 2.217 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700529 559263346 /nfs/dbraw/zinc/26/33/46/559263346.db2.gz MOSAHIZEMHZQIO-SECBINFHSA-N 1 0 357.208 2.478 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000415711420 559264370 /nfs/dbraw/zinc/26/43/70/559264370.db2.gz NLIIHRFDXBGQSH-UHFFFAOYSA-N 1 0 362.430 2.209 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416375750 559308386 /nfs/dbraw/zinc/30/83/86/559308386.db2.gz WHVXJCBJJKEKNN-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416658290 559328096 /nfs/dbraw/zinc/32/80/96/559328096.db2.gz FITZGJGQRURPQQ-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@@H]1CCC[NH2+]C1 ZINC000417981437 559384800 /nfs/dbraw/zinc/38/48/00/559384800.db2.gz COBYQHOGPMNXMP-LBPRGKRZSA-N 1 0 354.838 2.480 20 5 FEBDRO COc1cc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c([N+](=O)[O-])cc1OC ZINC000418136416 559391532 /nfs/dbraw/zinc/39/15/32/559391532.db2.gz RUYKVLXEVHMMFK-UHFFFAOYSA-N 1 0 368.430 2.269 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418786203 559416098 /nfs/dbraw/zinc/41/60/98/559416098.db2.gz IQUBGRKWLVGYOG-KGLIPLIRSA-N 1 0 362.430 2.275 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000418996199 559424820 /nfs/dbraw/zinc/42/48/20/559424820.db2.gz JTRMIUSIIOORTC-CHWSQXEVSA-N 1 0 360.414 2.043 20 5 FEBDRO [NH3+]CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000420321894 559480299 /nfs/dbraw/zinc/48/02/99/559480299.db2.gz VXCBCOIXXIGIJU-UHFFFAOYSA-N 1 0 356.426 2.427 20 5 FEBDRO NC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000420374788 559483938 /nfs/dbraw/zinc/48/39/38/559483938.db2.gz SLZDNCPWUJGRHA-OAHLLOKOSA-N 1 0 362.430 2.390 20 5 FEBDRO [NH3+][C@@H]1Cc2ccccc2N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000420412116 559486555 /nfs/dbraw/zinc/48/65/55/559486555.db2.gz YIPVVDXCELAPEF-CQSZACIVSA-N 1 0 368.393 2.283 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000420462515 559488747 /nfs/dbraw/zinc/48/87/47/559488747.db2.gz MVBWNKJCAPZDOQ-MRXNPFEDSA-N 1 0 363.439 2.444 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000420476009 559489680 /nfs/dbraw/zinc/48/96/80/559489680.db2.gz OOGUSPXDNHSNTB-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO Cc1ccccc1C[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420582960 559492837 /nfs/dbraw/zinc/49/28/37/559492837.db2.gz JMEIZFPXRLFSAX-UHFFFAOYSA-N 1 0 354.410 2.324 20 5 FEBDRO CC[C@H](C)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420657144 559495722 /nfs/dbraw/zinc/49/57/22/559495722.db2.gz WEWQREUUTWVDCN-ZDUSSCGKSA-N 1 0 372.491 2.283 20 5 FEBDRO CCCN1C[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421350529 559539948 /nfs/dbraw/zinc/53/99/48/559539948.db2.gz LBMLMILSMYGRNF-ZIAGYGMSSA-N 1 0 362.430 2.160 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)cc1[N+](=O)[O-] ZINC000421392587 559541066 /nfs/dbraw/zinc/54/10/66/559541066.db2.gz XNOJHGVXABARLY-UHFFFAOYSA-N 1 0 359.382 2.448 20 5 FEBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421700429 559549832 /nfs/dbraw/zinc/54/98/32/559549832.db2.gz DVSSJPKEHYQVCJ-JTQLQIEISA-N 1 0 373.356 2.371 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422632233 559598984 /nfs/dbraw/zinc/59/89/84/559598984.db2.gz GLLRUQBFTNAFBP-RDBSUJKOSA-N 1 0 364.446 2.237 20 5 FEBDRO C[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423821833 559640970 /nfs/dbraw/zinc/64/09/70/559640970.db2.gz FEEMBGWESLBWAT-SUMWQHHRSA-N 1 0 357.414 2.291 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423851325 559642843 /nfs/dbraw/zinc/64/28/43/559642843.db2.gz RRQPCZSMXAFTAM-LLVKDONJSA-N 1 0 363.805 2.368 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000423944099 559647458 /nfs/dbraw/zinc/64/74/58/559647458.db2.gz RWACBCAFRPEMKQ-INIZCTEOSA-N 1 0 356.426 2.410 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423963140 559648217 /nfs/dbraw/zinc/64/82/17/559648217.db2.gz FFWJLVQNARPWIP-ZBFHGGJFSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424010524 559650814 /nfs/dbraw/zinc/65/08/14/559650814.db2.gz LFXQCZRWAITCJY-JKSUJKDBSA-N 1 0 359.357 2.309 20 5 FEBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000424014561 559650948 /nfs/dbraw/zinc/65/09/48/559650948.db2.gz LSUGSMBMAAQGRE-UWVGGRQHSA-N 1 0 356.220 2.414 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000424074359 559653823 /nfs/dbraw/zinc/65/38/23/559653823.db2.gz JYLCTQODJABEAP-OAHLLOKOSA-N 1 0 369.377 2.302 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000430210749 559815373 /nfs/dbraw/zinc/81/53/73/559815373.db2.gz FGCQZPGRTVOAIL-NSHDSACASA-N 1 0 361.320 2.104 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000430380274 559819036 /nfs/dbraw/zinc/81/90/36/559819036.db2.gz RJCSVZVYDZKOSY-CQSZACIVSA-N 1 0 372.425 2.465 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430586918 559823841 /nfs/dbraw/zinc/82/38/41/559823841.db2.gz UJNZKKUVZIPNPA-CQSZACIVSA-N 1 0 352.435 2.237 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCO1 ZINC000432549172 559860789 /nfs/dbraw/zinc/86/07/89/559860789.db2.gz HVLZOXMBHRCMCN-CYBMUJFWSA-N 1 0 360.414 2.307 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434348724 559898509 /nfs/dbraw/zinc/89/85/09/559898509.db2.gz DHJJSSAWQZXUCZ-INIZCTEOSA-N 1 0 374.441 2.384 20 5 FEBDRO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909750 559912104 /nfs/dbraw/zinc/91/21/04/559912104.db2.gz PXGKAULAPIMZIR-OALUTQOASA-N 1 0 358.442 2.497 20 5 FEBDRO Cc1c(NC(=O)N2CC([NH+](C)C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000435323037 559920272 /nfs/dbraw/zinc/92/02/72/559920272.db2.gz JDJORTMNMQDNHR-UHFFFAOYSA-N 1 0 357.208 2.443 20 5 FEBDRO Cn1cc(C(=O)NCC2([NH+](C)C)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000438533296 559980240 /nfs/dbraw/zinc/98/02/40/559980240.db2.gz QXDSQISXZOOHOV-UHFFFAOYSA-N 1 0 357.414 2.209 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000439475802 559995172 /nfs/dbraw/zinc/99/51/72/559995172.db2.gz FNARGMLZMCYZOH-GOSISDBHSA-N 1 0 366.414 2.395 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000440071690 560004221 /nfs/dbraw/zinc/00/42/21/560004221.db2.gz BZQBDEYWSDXPBZ-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000440094463 560004679 /nfs/dbraw/zinc/00/46/79/560004679.db2.gz VRAFDVLMKJOUER-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440417220 560010699 /nfs/dbraw/zinc/01/06/99/560010699.db2.gz CDVQUSYYAKVLNG-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000440508774 560012943 /nfs/dbraw/zinc/01/29/43/560012943.db2.gz FENZCNFUJANOSM-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000440516646 560013332 /nfs/dbraw/zinc/01/33/32/560013332.db2.gz UHXRVZZALXDYIV-LJQANCHMSA-N 1 0 373.384 2.101 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441512428 560034678 /nfs/dbraw/zinc/03/46/78/560034678.db2.gz HJIAZLQPNFYGIF-UHFFFAOYSA-N 1 0 363.462 2.426 20 5 FEBDRO Cn1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442601172 560053348 /nfs/dbraw/zinc/05/33/48/560053348.db2.gz QFGFUEFQVGIOIH-ZDUSSCGKSA-N 1 0 357.414 2.196 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443963816 560097485 /nfs/dbraw/zinc/09/74/85/560097485.db2.gz PGGOFQSPLHUNNX-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000444262860 560107192 /nfs/dbraw/zinc/10/71/92/560107192.db2.gz LHGRZPWSGMOVMV-SECBINFHSA-N 1 0 359.329 2.077 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635400 560117387 /nfs/dbraw/zinc/11/73/87/560117387.db2.gz BARLMQZNUQLTMJ-OAHLLOKOSA-N 1 0 361.446 2.404 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191886 560130560 /nfs/dbraw/zinc/13/05/60/560130560.db2.gz YCEOWBWCAAKWLQ-DOMZBBRYSA-N 1 0 356.382 2.261 20 5 FEBDRO CC[NH+]1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000447816246 560169975 /nfs/dbraw/zinc/16/99/75/560169975.db2.gz IIQKIFXXMBNKCM-UHFFFAOYSA-N 1 0 370.837 2.084 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726841 560196745 /nfs/dbraw/zinc/19/67/45/560196745.db2.gz VGXFBQYRPPQKHP-GJZGRUSLSA-N 1 0 355.398 2.137 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448895154 560205430 /nfs/dbraw/zinc/20/54/30/560205430.db2.gz NLDDZGCOFZUSOC-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448974252 560209720 /nfs/dbraw/zinc/20/97/20/560209720.db2.gz JNPFFHZLORPZJX-UHFFFAOYSA-N 1 0 357.414 2.399 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449101911 560215821 /nfs/dbraw/zinc/21/58/21/560215821.db2.gz VZIUBQSQJNRUMV-OAHLLOKOSA-N 1 0 353.444 2.186 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000449214263 560220585 /nfs/dbraw/zinc/22/05/85/560220585.db2.gz WLTKSUTZYPWJOU-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000449322934 560225194 /nfs/dbraw/zinc/22/51/94/560225194.db2.gz QPAAWRCKNQNBIH-VNQPRFMTSA-N 1 0 369.487 2.223 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449474439 560231252 /nfs/dbraw/zinc/23/12/52/560231252.db2.gz RXTIZDANNVQDQD-MRXNPFEDSA-N 1 0 352.341 2.197 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2(CF)CCOCC2)cc1[N+](=O)[O-] ZINC000449490633 560231912 /nfs/dbraw/zinc/23/19/12/560231912.db2.gz ZDPBQNMYIBKFLP-UHFFFAOYSA-N 1 0 370.377 2.003 20 5 FEBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000449533676 560232960 /nfs/dbraw/zinc/23/29/60/560232960.db2.gz BMRVDOBYBPWWFU-PELKAZGASA-N 1 0 364.183 2.448 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449613354 560234779 /nfs/dbraw/zinc/23/47/79/560234779.db2.gz RSISWEHHAYJMLV-CBAPKCEASA-N 1 0 351.737 2.114 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000449668586 560236163 /nfs/dbraw/zinc/23/61/63/560236163.db2.gz LEQQCZOEUZFMJL-PBHICJAKSA-N 1 0 359.382 2.309 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000449696527 560237278 /nfs/dbraw/zinc/23/72/78/560237278.db2.gz KFKNFTSKQRPOPE-CQSZACIVSA-N 1 0 366.849 2.035 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000449706401 560237651 /nfs/dbraw/zinc/23/76/51/560237651.db2.gz NANWBJBSNJYNPC-MRXNPFEDSA-N 1 0 371.393 2.495 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449914502 560245167 /nfs/dbraw/zinc/24/51/67/560245167.db2.gz VHADCFSAXBDMBA-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931150 560245617 /nfs/dbraw/zinc/24/56/17/560245617.db2.gz NWWPSJHCIVUFDP-ZFWWWQNUSA-N 1 0 357.414 2.193 20 5 FEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000450096237 560250578 /nfs/dbraw/zinc/25/05/78/560250578.db2.gz GOCDAFRVMGKSFQ-ZFWWWQNUSA-N 1 0 357.414 2.239 20 5 FEBDRO COCC[N@@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000450313091 560258115 /nfs/dbraw/zinc/25/81/15/560258115.db2.gz OXMGFIOUXZFEJQ-CYBMUJFWSA-N 1 0 360.414 2.309 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450317944 560258456 /nfs/dbraw/zinc/25/84/56/560258456.db2.gz USSUHRGUNRUBAV-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)C1 ZINC000450336806 560259002 /nfs/dbraw/zinc/25/90/02/560259002.db2.gz BKZVCABAGJLTBO-ZFWWWQNUSA-N 1 0 361.446 2.442 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000451195144 560292398 /nfs/dbraw/zinc/29/23/98/560292398.db2.gz XESZSLJGOJMMGJ-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451357821 560302407 /nfs/dbraw/zinc/30/24/07/560302407.db2.gz ZAINKDGLENSPAD-KYHPRHEASA-N 1 0 364.442 2.350 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409267 560305200 /nfs/dbraw/zinc/30/52/00/560305200.db2.gz AESAEOUJQDVBCI-JZXOWHBKSA-N 1 0 359.426 2.109 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000451478926 560309412 /nfs/dbraw/zinc/30/94/12/560309412.db2.gz KNXRFOMDKUPWOF-LLLHUVSDSA-N 1 0 350.415 2.128 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500576 560310629 /nfs/dbraw/zinc/31/06/29/560310629.db2.gz OKVROCVJWRTZBR-CABCVRRESA-N 1 0 351.403 2.335 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000451543481 560313654 /nfs/dbraw/zinc/31/36/54/560313654.db2.gz BYYMXQVWZADCLI-SJLPKXTDSA-N 1 0 364.442 2.331 20 5 FEBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451601260 560316834 /nfs/dbraw/zinc/31/68/34/560316834.db2.gz ULJPJDWUKWWMGU-IAGOWNOFSA-N 1 0 372.487 2.247 20 5 FEBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000451898249 560335507 /nfs/dbraw/zinc/33/55/07/560335507.db2.gz VFCPEJJJDNLAOO-LBPRGKRZSA-N 1 0 361.402 2.499 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452845818 560376090 /nfs/dbraw/zinc/37/60/90/560376090.db2.gz JTCCJOKDNNJNAH-SFHVURJKSA-N 1 0 374.485 2.328 20 5 FEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000453099166 560383322 /nfs/dbraw/zinc/38/33/22/560383322.db2.gz YLDVTTSQSYHSEE-INIZCTEOSA-N 1 0 364.427 2.009 20 5 FEBDRO CNc1nc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455137805 560471384 /nfs/dbraw/zinc/47/13/84/560471384.db2.gz JNSKNONZGDPXIA-UHFFFAOYSA-N 1 0 357.414 2.236 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000456522325 560523192 /nfs/dbraw/zinc/52/31/92/560523192.db2.gz DAEHBJQSDRBGAW-CQSZACIVSA-N 1 0 372.425 2.465 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000457205443 560555832 /nfs/dbraw/zinc/55/58/32/560555832.db2.gz QSWFOMSRYRZGGU-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cn1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000458176581 560606911 /nfs/dbraw/zinc/60/69/11/560606911.db2.gz UKXIZBWNYWXSLS-CQSZACIVSA-N 1 0 371.441 2.457 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)n1 ZINC000458213736 560609181 /nfs/dbraw/zinc/60/91/81/560609181.db2.gz CKFUDUIHKQDLGE-UHFFFAOYSA-N 1 0 351.432 2.077 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511507 560628790 /nfs/dbraw/zinc/62/87/90/560628790.db2.gz PQGZBHNMSGBRAR-GDBMZVCRSA-N 1 0 364.446 2.110 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)Cn3ccnn3)s2)cc1 ZINC000459699642 560702795 /nfs/dbraw/zinc/70/27/95/560702795.db2.gz OPGHWSBZZLIIHJ-CQSZACIVSA-N 1 0 359.411 2.066 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459758254 560706506 /nfs/dbraw/zinc/70/65/06/560706506.db2.gz LLVLGTDWCXAWBI-JKSUJKDBSA-N 1 0 363.414 2.479 20 5 FEBDRO CS[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000460347792 560742143 /nfs/dbraw/zinc/74/21/43/560742143.db2.gz CNJPPPYQOKOLQA-IRXDYDNUSA-N 1 0 351.472 2.485 20 5 FEBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461723076 560780574 /nfs/dbraw/zinc/78/05/74/560780574.db2.gz DSEQLDYGCDSCQC-UHFFFAOYSA-N 1 0 374.363 2.132 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470150024 560975291 /nfs/dbraw/zinc/97/52/91/560975291.db2.gz GBQJHKOBNMRTRV-BLLLJJGKSA-N 1 0 358.398 2.379 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000474006550 561063534 /nfs/dbraw/zinc/06/35/34/561063534.db2.gz FNLNAONPDKIMBB-WMLDXEAASA-N 1 0 366.414 2.440 20 5 FEBDRO COC(=O)c1cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000474296668 561070427 /nfs/dbraw/zinc/07/04/27/561070427.db2.gz INLJTJLWORHTNP-UHFFFAOYSA-N 1 0 369.377 2.322 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131304 561091202 /nfs/dbraw/zinc/09/12/02/561091202.db2.gz QGYLOOYPRROVNU-LRDDRELGSA-N 1 0 352.387 2.003 20 5 FEBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475707774 561102877 /nfs/dbraw/zinc/10/28/77/561102877.db2.gz UUIFWQRLDOFJHK-OAHLLOKOSA-N 1 0 366.414 2.395 20 5 FEBDRO COc1c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469668 561120262 /nfs/dbraw/zinc/12/02/62/561120262.db2.gz WEXMDUVAHJUGSK-CVEARBPZSA-N 1 0 355.394 2.431 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476668241 561125731 /nfs/dbraw/zinc/12/57/31/561125731.db2.gz KQXTWEJZVCXHHQ-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000530658863 562419411 /nfs/dbraw/zinc/41/94/11/562419411.db2.gz YJBOCXPTNITZPL-UHFFFAOYSA-N 1 0 361.398 2.460 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531714936 562454561 /nfs/dbraw/zinc/45/45/61/562454561.db2.gz AHAOBOIVOAXJSW-OAHLLOKOSA-N 1 0 362.474 2.497 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000532252605 562471673 /nfs/dbraw/zinc/47/16/73/562471673.db2.gz OOSHRLUEBLMGMP-YOEHRIQHSA-N 1 0 362.430 2.099 20 5 FEBDRO C[C@H]1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000533038974 562496519 /nfs/dbraw/zinc/49/65/19/562496519.db2.gz ZJJZNDOPAFXZPQ-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000535583483 562562077 /nfs/dbraw/zinc/56/20/77/562562077.db2.gz XHRKRJKYHXEBNL-CQSZACIVSA-N 1 0 365.430 2.200 20 5 FEBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000546571443 562637766 /nfs/dbraw/zinc/63/77/66/562637766.db2.gz NGAWVDMDTNUVSU-QGZVFWFLSA-N 1 0 367.471 2.283 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000602605430 567997013 /nfs/dbraw/zinc/99/70/13/567997013.db2.gz VHLOJGWVGLYPHA-IRXDYDNUSA-N 1 0 372.469 2.412 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CCC2(O)CCOCC2)cc1Br ZINC000602660269 568012156 /nfs/dbraw/zinc/01/21/56/568012156.db2.gz BHMPXZBOIXCNDM-UHFFFAOYSA-N 1 0 365.249 2.440 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000569993605 568446904 /nfs/dbraw/zinc/44/69/04/568446904.db2.gz FHYXTPPUCKLAJJ-RHSMWYFYSA-N 1 0 357.414 2.141 20 5 FEBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)CC2)CC1 ZINC000736240060 599062701 /nfs/dbraw/zinc/06/27/01/599062701.db2.gz JNHSVTIOKRJQGJ-UHFFFAOYSA-N 1 0 371.445 2.476 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736457963 598500866 /nfs/dbraw/zinc/50/08/66/598500866.db2.gz SQJCCNAFEXYSNK-LBPRGKRZSA-N 1 0 360.422 2.236 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000558048288 674481212 /nfs/dbraw/zinc/48/12/12/674481212.db2.gz IXGRQBZNHZTMNN-UHFFFAOYSA-N 1 0 374.283 2.072 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000809977500 674523203 /nfs/dbraw/zinc/52/32/03/674523203.db2.gz YIVSGGGFYKQDOJ-LBPRGKRZSA-N 1 0 362.167 2.060 20 5 FEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670181 609315177 /nfs/dbraw/zinc/31/51/77/609315177.db2.gz LQCQWRTZPWNXOX-NEPJUHHUSA-N 1 0 372.433 2.235 20 5 FEBDRO CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)CC[NH+]1CCCCCC1 ZINC000561912909 674707298 /nfs/dbraw/zinc/70/72/98/674707298.db2.gz PHUGDDASAGDACR-UHFFFAOYSA-N 1 0 350.463 2.343 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000813509296 674754136 /nfs/dbraw/zinc/75/41/36/674754136.db2.gz WXBJUOZQJJUQCJ-QGZVFWFLSA-N 1 0 350.394 2.087 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000563415704 674884404 /nfs/dbraw/zinc/88/44/04/674884404.db2.gz FLBNVZRHSMGNTA-MRXNPFEDSA-N 1 0 361.423 2.150 20 5 FEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026193 674901400 /nfs/dbraw/zinc/90/14/00/674901400.db2.gz MZLWQYOOYKZLCM-UHFFFAOYSA-N 1 0 367.830 2.348 20 5 FEBDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000815248741 674933621 /nfs/dbraw/zinc/93/36/21/674933621.db2.gz CEIKMIPEAVJUIQ-INIZCTEOSA-N 1 0 353.394 2.449 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000563823086 674943048 /nfs/dbraw/zinc/94/30/48/674943048.db2.gz ZJMIZAHMKWMVND-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cccc(CCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000564869142 675070267 /nfs/dbraw/zinc/07/02/67/675070267.db2.gz PHBXGYZRXRHUGT-UHFFFAOYSA-N 1 0 363.439 2.294 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000816944043 675089180 /nfs/dbraw/zinc/08/91/80/675089180.db2.gz QCLUWDUQMSZUBE-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000816944044 675089282 /nfs/dbraw/zinc/08/92/82/675089282.db2.gz QCLUWDUQMSZUBE-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817147372 675105203 /nfs/dbraw/zinc/10/52/03/675105203.db2.gz OZPSZKBKBYGEKP-UHFFFAOYSA-N 1 0 361.851 2.399 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000817149340 675105404 /nfs/dbraw/zinc/10/54/04/675105404.db2.gz CTNQWNDZBKGCSP-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000817295974 675119186 /nfs/dbraw/zinc/11/91/86/675119186.db2.gz BITWTQHNBGRCMC-NSHDSACASA-N 1 0 371.821 2.360 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000571074266 670812744 /nfs/dbraw/zinc/81/27/44/670812744.db2.gz AUKORUVIIUPWNT-AWEZNQCLSA-N 1 0 367.471 2.364 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC1 ZINC000572303289 670984414 /nfs/dbraw/zinc/98/44/14/670984414.db2.gz CKIJMOGVLHCLJX-HNNXBMFYSA-N 1 0 352.410 2.323 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000575740855 671316835 /nfs/dbraw/zinc/31/68/35/671316835.db2.gz KKHCKEKPDNSYJU-WCQYABFASA-N 1 0 351.403 2.249 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000575987032 671336161 /nfs/dbraw/zinc/33/61/61/671336161.db2.gz AVSOZMMYANWHBL-SNVBAGLBSA-N 1 0 364.146 2.084 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000576939767 671405977 /nfs/dbraw/zinc/40/59/77/671405977.db2.gz KDTSARDDPKBTGA-CQSZACIVSA-N 1 0 355.460 2.308 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560586 675926255 /nfs/dbraw/zinc/92/62/55/675926255.db2.gz RGEYRSIUQQFYNX-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000579099785 671712130 /nfs/dbraw/zinc/71/21/30/671712130.db2.gz KMBJGDKJNNMVIW-ZBFHGGJFSA-N 1 0 351.834 2.449 20 5 FEBDRO CSC1(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000579294654 671724999 /nfs/dbraw/zinc/72/49/99/671724999.db2.gz VGKXYKCQSRHXKR-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO COC(=O)CC1([NH2+]Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000579480144 671739234 /nfs/dbraw/zinc/73/92/34/671739234.db2.gz NIBSVJCRSDSNFW-UHFFFAOYSA-N 1 0 360.313 2.390 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848961 675939126 /nfs/dbraw/zinc/93/91/26/675939126.db2.gz VDWSZVJSWVXXCA-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000580090009 671782619 /nfs/dbraw/zinc/78/26/19/671782619.db2.gz HXDPFHDFDVWSRU-VXGBXAGGSA-N 1 0 372.219 2.045 20 5 FEBDRO O=C(CC[NH2+][C@@H]1CCN(CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000580947110 671849003 /nfs/dbraw/zinc/84/90/03/671849003.db2.gz CREBOLPSEPREHY-LLVKDONJSA-N 1 0 360.336 2.150 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000120740951 671934470 /nfs/dbraw/zinc/93/44/70/671934470.db2.gz FQRMSJSFDQHYMX-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000122458402 671966818 /nfs/dbraw/zinc/96/68/18/671966818.db2.gz JTTCQAVPCBCHPX-QWHCGFSZSA-N 1 0 353.423 2.374 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000125473250 672012362 /nfs/dbraw/zinc/01/23/62/672012362.db2.gz BJTBGYPSSNYYJS-LLVKDONJSA-N 1 0 361.851 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2cccc(F)c2)cc1 ZINC000582780609 672033177 /nfs/dbraw/zinc/03/31/77/672033177.db2.gz YFEIMGYINFNWBK-UHFFFAOYSA-N 1 0 368.386 2.176 20 5 FEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000583083144 672062040 /nfs/dbraw/zinc/06/20/40/672062040.db2.gz ZOVHBRILITVYDA-LRDDRELGSA-N 1 0 351.378 2.092 20 5 FEBDRO CCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000583381823 672089688 /nfs/dbraw/zinc/08/96/88/672089688.db2.gz GRFJRYSEJDCFSP-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000152156649 672176131 /nfs/dbraw/zinc/17/61/31/672176131.db2.gz RHEBCIBUBXWBMC-AWEZNQCLSA-N 1 0 353.394 2.009 20 5 FEBDRO NS(=O)(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000589137048 672508610 /nfs/dbraw/zinc/50/86/10/672508610.db2.gz XTRCTCVVVVWTTQ-UHFFFAOYSA-N 1 0 369.830 2.228 20 5 FEBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189091 672512577 /nfs/dbraw/zinc/51/25/77/672512577.db2.gz ZQUYGIBUQOXLQQ-LRDDRELGSA-N 1 0 366.805 2.201 20 5 FEBDRO CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC[NH+](C)CC1 ZINC000589296074 672520601 /nfs/dbraw/zinc/52/06/01/672520601.db2.gz CEVGDBPKUJRSOM-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO C[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)N(C)C ZINC000589311272 672521434 /nfs/dbraw/zinc/52/14/34/672521434.db2.gz DREBTUNPWIGBOT-SECBINFHSA-N 1 0 363.199 2.239 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1OC ZINC000590567163 672590393 /nfs/dbraw/zinc/59/03/93/672590393.db2.gz ZEZFZGKVEYBJTC-DGCLKSJQSA-N 1 0 351.403 2.167 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)[NH+](C)C ZINC000590568444 672590788 /nfs/dbraw/zinc/59/07/88/672590788.db2.gz GUHYBNCXXQVDBT-UHFFFAOYSA-N 1 0 358.464 2.035 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590865 672593820 /nfs/dbraw/zinc/59/38/20/672593820.db2.gz KFVZTBALPDGPFY-YPMHNXCESA-N 1 0 373.450 2.441 20 5 FEBDRO COc1cc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000591448458 672681938 /nfs/dbraw/zinc/68/19/38/672681938.db2.gz ICXQBVGVFPVGFK-ZYHUDNBSSA-N 1 0 357.357 2.389 20 5 FEBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000591723158 672704808 /nfs/dbraw/zinc/70/48/08/672704808.db2.gz KWODYCINALTODG-UHFFFAOYSA-N 1 0 369.487 2.223 20 5 FEBDRO CCC1(O)CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000591757516 672708376 /nfs/dbraw/zinc/70/83/76/672708376.db2.gz AHBVAALCUHZYTB-UHFFFAOYSA-N 1 0 356.444 2.042 20 5 FEBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](C)C1 ZINC000591924766 672721897 /nfs/dbraw/zinc/72/18/97/672721897.db2.gz JDEBVHRRAYHWST-OAHLLOKOSA-N 1 0 350.419 2.229 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000194332015 672756569 /nfs/dbraw/zinc/75/65/69/672756569.db2.gz AAOUCUOUZDQZRD-UHFFFAOYSA-N 1 0 350.375 2.496 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592367830 672792631 /nfs/dbraw/zinc/79/26/31/672792631.db2.gz ZGMQZXVOQQDGHY-SNVBAGLBSA-N 1 0 367.349 2.034 20 5 FEBDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000592368073 672792633 /nfs/dbraw/zinc/79/26/33/672792633.db2.gz GDHKUOPIBHJTDA-AWEZNQCLSA-N 1 0 364.427 2.092 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592374508 672794000 /nfs/dbraw/zinc/79/40/00/672794000.db2.gz JWECRJVIXNOJAD-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000592545506 672813323 /nfs/dbraw/zinc/81/33/23/672813323.db2.gz VNKGPYMMNYOFHT-IINYFYTJSA-N 1 0 370.247 2.486 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000248253920 672855136 /nfs/dbraw/zinc/85/51/36/672855136.db2.gz UAUVMUYQWPFDJW-ZDUSSCGKSA-N 1 0 355.822 2.335 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000593729485 672983685 /nfs/dbraw/zinc/98/36/85/672983685.db2.gz AJKLZNRNWDTAQX-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000594020273 673021843 /nfs/dbraw/zinc/02/18/43/673021843.db2.gz FURPLKFWQMXZQC-MRXNPFEDSA-N 1 0 351.447 2.141 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483529 673087383 /nfs/dbraw/zinc/08/73/83/673087383.db2.gz NCOHXUAZQXWTLM-GDBMZVCRSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594483703 673088085 /nfs/dbraw/zinc/08/80/85/673088085.db2.gz NZTDJNVTORWAFA-ZBFHGGJFSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603668 673131535 /nfs/dbraw/zinc/13/15/35/673131535.db2.gz YQYDHUHDBDPDHL-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594800368 673147516 /nfs/dbraw/zinc/14/75/16/673147516.db2.gz DFRJHFRDSZETBE-ZDUSSCGKSA-N 1 0 355.460 2.308 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000594854284 673165017 /nfs/dbraw/zinc/16/50/17/673165017.db2.gz INJLISINZUMJMF-OAHLLOKOSA-N 1 0 367.471 2.421 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594982966 673183034 /nfs/dbraw/zinc/18/30/34/673183034.db2.gz DGFFIQIUTQENNE-JSGCOSHPSA-N 1 0 352.387 2.194 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)CCCC2 ZINC000595077560 673191153 /nfs/dbraw/zinc/19/11/53/673191153.db2.gz JGYJHZTWPUOYHW-MSOLQXFVSA-N 1 0 350.415 2.120 20 5 FEBDRO CCS(=O)(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595098608 673192675 /nfs/dbraw/zinc/19/26/75/673192675.db2.gz CDUUVLDPVUGASY-HNNXBMFYSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118524 673196894 /nfs/dbraw/zinc/19/68/94/673196894.db2.gz RQXUZNIJXRFCNI-TZMCWYRMSA-N 1 0 355.460 2.431 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595119039 673196982 /nfs/dbraw/zinc/19/69/82/673196982.db2.gz YZSDYAOOQWFQTC-IUODEOHRSA-N 1 0 355.460 2.431 20 5 FEBDRO CO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000595330329 673225880 /nfs/dbraw/zinc/22/58/80/673225880.db2.gz JHBADRZZMRWDDA-KSSFIOAISA-N 1 0 350.415 2.490 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1C ZINC000595344541 673228564 /nfs/dbraw/zinc/22/85/64/673228564.db2.gz GKVBPFPRMCORDJ-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO COC(=O)C1CCC([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000730107498 673262476 /nfs/dbraw/zinc/26/24/76/673262476.db2.gz MIBNABINNCQYFE-UHFFFAOYSA-N 1 0 352.387 2.433 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636419 673277030 /nfs/dbraw/zinc/27/70/30/673277030.db2.gz YWLQQASJROLMEJ-UXIGCNINSA-N 1 0 356.394 2.398 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000462871721 673286796 /nfs/dbraw/zinc/28/67/96/673286796.db2.gz CSANCTOYYZCJNC-CQSZACIVSA-N 1 0 352.387 2.146 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000730786209 673290617 /nfs/dbraw/zinc/29/06/17/673290617.db2.gz MYYGNPWAHCWQMG-BETUJISGSA-N 1 0 353.394 2.492 20 5 FEBDRO CCCN(C)CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595873586 673333026 /nfs/dbraw/zinc/33/30/26/673333026.db2.gz MVHAFZMLJMNOCI-UHFFFAOYSA-N 1 0 357.476 2.079 20 5 FEBDRO C[C@]1(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595991421 673345912 /nfs/dbraw/zinc/34/59/12/673345912.db2.gz IYFSTIAQHXERRO-AWEZNQCLSA-N 1 0 360.336 2.284 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732213509 673357616 /nfs/dbraw/zinc/35/76/16/673357616.db2.gz DVAPYEODVCMVBF-CYBMUJFWSA-N 1 0 352.822 2.355 20 5 FEBDRO Cn1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596130751 673361883 /nfs/dbraw/zinc/36/18/83/673361883.db2.gz FQWWLZHDFCRYFJ-QMMMGPOBSA-N 1 0 354.823 2.390 20 5 FEBDRO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000596178492 673365412 /nfs/dbraw/zinc/36/54/12/673365412.db2.gz JIFSGLCJUFTPRZ-TZMCWYRMSA-N 1 0 353.854 2.105 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000596250507 673371824 /nfs/dbraw/zinc/37/18/24/673371824.db2.gz RTVIKOSRCOFSLC-LLVKDONJSA-N 1 0 371.821 2.294 20 5 FEBDRO COC(=O)c1c(Cl)c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000596259633 673372324 /nfs/dbraw/zinc/37/23/24/673372324.db2.gz XWTKOWCKBNAXTO-PHIMTYICSA-N 1 0 369.805 2.310 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597571334 673488225 /nfs/dbraw/zinc/48/82/25/673488225.db2.gz GVHZPILPNOVTAA-UHFFFAOYSA-N 1 0 354.204 2.135 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619393 673493369 /nfs/dbraw/zinc/49/33/69/673493369.db2.gz GQJMVMCUQHUAEG-OAHLLOKOSA-N 1 0 351.378 2.061 20 5 FEBDRO COc1cc(C(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000598000955 673529039 /nfs/dbraw/zinc/52/90/39/673529039.db2.gz WFMKDCGHWZPYMI-SECBINFHSA-N 1 0 361.345 2.275 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598605435 673588943 /nfs/dbraw/zinc/58/89/43/673588943.db2.gz DSDPLQNFBAENNN-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598605596 673589183 /nfs/dbraw/zinc/58/91/83/673589183.db2.gz SIUMZVRDPZSSKK-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598613002 673590483 /nfs/dbraw/zinc/59/04/83/673590483.db2.gz UPXWQWAFQGJKCP-TZMCWYRMSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598613552 673590790 /nfs/dbraw/zinc/59/07/90/673590790.db2.gz IZWJNPLUDYFMJY-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000598913817 673620697 /nfs/dbraw/zinc/62/06/97/673620697.db2.gz ORWSLTFXIDTNDE-UHFFFAOYSA-N 1 0 356.810 2.386 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182779 673631369 /nfs/dbraw/zinc/63/13/69/673631369.db2.gz XWRBVTKJIHCTFR-GAFUQQFSSA-N 1 0 358.341 2.408 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CC(N2CCOCC2)C1 ZINC000599093944 673632523 /nfs/dbraw/zinc/63/25/23/673632523.db2.gz BUXWQNAUZDJVJI-UHFFFAOYSA-N 1 0 369.805 2.310 20 5 FEBDRO NS(=O)(=O)c1c(NC[C@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599125807 673635083 /nfs/dbraw/zinc/63/50/83/673635083.db2.gz CFOKFIDSGOJQCH-CYBMUJFWSA-N 1 0 368.459 2.061 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599198982 673639822 /nfs/dbraw/zinc/63/98/22/673639822.db2.gz DOTIYFGMBVWRDI-QMMMGPOBSA-N 1 0 370.278 2.122 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625973 673698762 /nfs/dbraw/zinc/69/87/62/673698762.db2.gz ROUDOSSJVKHVNH-RHPZDQPFSA-N 1 0 351.403 2.334 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000600119145 673742360 /nfs/dbraw/zinc/74/23/60/673742360.db2.gz JOMYCRWBXFIEER-NSHDSACASA-N 1 0 356.220 2.427 20 5 FEBDRO CS[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000545332389 673760327 /nfs/dbraw/zinc/76/03/27/673760327.db2.gz IJWZGMBCDRYLLB-JKSUJKDBSA-N 1 0 365.455 2.012 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000600757928 673796963 /nfs/dbraw/zinc/79/69/63/673796963.db2.gz NEIDNLFXXQMHJS-JTQLQIEISA-N 1 0 350.322 2.022 20 5 FEBDRO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000745765531 673849425 /nfs/dbraw/zinc/84/94/25/673849425.db2.gz BXVQAJHCBLPQTH-CHWSQXEVSA-N 1 0 353.394 2.492 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CC[NH+](CC2CC2)CC1 ZINC000745862208 673853896 /nfs/dbraw/zinc/85/38/96/673853896.db2.gz YMPBZPMQRKLECM-UHFFFAOYSA-N 1 0 351.378 2.103 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000601427716 673860335 /nfs/dbraw/zinc/86/03/35/673860335.db2.gz FKAJODXWNDXESI-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601496584 673870478 /nfs/dbraw/zinc/87/04/78/673870478.db2.gz GNDBMWCGCIHXOA-UHFFFAOYSA-N 1 0 368.459 2.019 20 5 FEBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000601496291 673870511 /nfs/dbraw/zinc/87/05/11/673870511.db2.gz ASYRKTWQLFOLFS-UHFFFAOYSA-N 1 0 368.459 2.019 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000601974341 673900610 /nfs/dbraw/zinc/90/06/10/673900610.db2.gz IILSYELTOYGANZ-GASCZTMLSA-N 1 0 368.231 2.429 20 5 FEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602529666 673907262 /nfs/dbraw/zinc/90/72/62/673907262.db2.gz QQEFHUGHRUPDLM-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000602541632 673907575 /nfs/dbraw/zinc/90/75/75/673907575.db2.gz QKDWZSSECKUVJZ-AWEZNQCLSA-N 1 0 352.337 2.445 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602535399 673907743 /nfs/dbraw/zinc/90/77/43/673907743.db2.gz YMWLUONGMHQROQ-LBPRGKRZSA-N 1 0 354.204 2.372 20 5 FEBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602706285 673910158 /nfs/dbraw/zinc/91/01/58/673910158.db2.gz KHMRDBTVYXDRKV-YHSMVDSJSA-N 1 0 366.487 2.238 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000602775848 673910797 /nfs/dbraw/zinc/91/07/97/673910797.db2.gz CBVNQOWWAZEHMW-ZDUSSCGKSA-N 1 0 363.384 2.306 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602824176 673911768 /nfs/dbraw/zinc/91/17/68/673911768.db2.gz NJHVQHDIKXFPLY-GJZGRUSLSA-N 1 0 351.357 2.142 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602891171 673913054 /nfs/dbraw/zinc/91/30/54/673913054.db2.gz LPZVTMKTIKHNHF-DLBZAZTESA-N 1 0 350.415 2.273 20 5 FEBDRO COc1cc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891731 673913190 /nfs/dbraw/zinc/91/31/90/673913190.db2.gz OKWJRODJJBOHEF-NVXWUHKLSA-N 1 0 350.415 2.403 20 5 FEBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850651 675247730 /nfs/dbraw/zinc/24/77/30/675247730.db2.gz MNWNWQUTYKKQSV-OAGGEKHMSA-N 1 0 351.447 2.045 20 5 FEBDRO Cc1ccccc1[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819229813 675271959 /nfs/dbraw/zinc/27/19/59/675271959.db2.gz SROSRRDLOFOOSM-KRWDZBQOSA-N 1 0 364.423 2.000 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cc(F)cnc1Cl ZINC000819339251 675282909 /nfs/dbraw/zinc/28/29/09/675282909.db2.gz MRJJXFDMQTVXKC-GFCCVEGCSA-N 1 0 355.753 2.312 20 5 FEBDRO Cc1cnc([C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000567709833 675315211 /nfs/dbraw/zinc/31/52/11/675315211.db2.gz AMTAXRFCIATWHV-FZMZJTMJSA-N 1 0 351.428 2.493 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782963 675322123 /nfs/dbraw/zinc/32/21/23/675322123.db2.gz HQUYMEPXTAGXOE-YPMHNXCESA-N 1 0 353.444 2.061 20 5 FEBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)COC1CC[NH+](C)CC1 ZINC000821519530 675438992 /nfs/dbraw/zinc/43/89/92/675438992.db2.gz CTNYQJPDPYYZBQ-UHFFFAOYSA-N 1 0 350.419 2.464 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000822236499 675473731 /nfs/dbraw/zinc/47/37/31/675473731.db2.gz BQVXZHVCNDQBGK-UHFFFAOYSA-N 1 0 354.382 2.010 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000823310712 675544021 /nfs/dbraw/zinc/54/40/21/675544021.db2.gz PSJAHVQVIQFHJF-VIFPVBQESA-N 1 0 356.810 2.277 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCN1 ZINC000825147189 675638629 /nfs/dbraw/zinc/63/86/29/675638629.db2.gz CSZBEHDNTUEDRV-AWEZNQCLSA-N 1 0 366.849 2.035 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COC1CCC([NH3+])CC1 ZINC000826652531 675698137 /nfs/dbraw/zinc/69/81/37/675698137.db2.gz UOTBULRWLUYHLM-UHFFFAOYSA-N 1 0 355.822 2.493 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604505414 675805573 /nfs/dbraw/zinc/80/55/73/675805573.db2.gz ZGHAHPYHRIGYGG-PWSUYJOCSA-N 1 0 353.806 2.368 20 5 FEBDRO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000829583734 675884054 /nfs/dbraw/zinc/88/40/54/675884054.db2.gz LCNJYEYBYQZPCH-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000619466442 676377990 /nfs/dbraw/zinc/37/79/90/676377990.db2.gz JQMSEGFRMOGBBW-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871306 676397784 /nfs/dbraw/zinc/39/77/84/676397784.db2.gz AZKNTFFZHVMEBG-CYBMUJFWSA-N 1 0 351.378 2.061 20 5 FEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000760551952 680692355 /nfs/dbraw/zinc/69/23/55/680692355.db2.gz ZUZOFXPOKLHZLD-UHFFFAOYSA-N 1 0 363.439 2.477 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000762358549 680748094 /nfs/dbraw/zinc/74/80/94/680748094.db2.gz LVQJWSHXSPIHKL-KBPBESRZSA-N 1 0 372.878 2.164 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC000839468276 680754432 /nfs/dbraw/zinc/75/44/32/680754432.db2.gz VFLPDZFBVPMJAH-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO COc1cc(OCC(=O)OCC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000840226182 680808787 /nfs/dbraw/zinc/80/87/87/680808787.db2.gz ULIGVRLFEWREDO-CYBMUJFWSA-N 1 0 352.387 2.400 20 5 FEBDRO CC1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]2COC[C@@H]21 ZINC000832779537 680176076 /nfs/dbraw/zinc/17/60/76/680176076.db2.gz ZVRRTDCVYILNBM-SWLSCSKDSA-N 1 0 351.378 2.419 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc(C3CCCC3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022065504 680193464 /nfs/dbraw/zinc/19/34/64/680193464.db2.gz XZCXLLLOMNYMHA-AYRXBEOTSA-N 1 0 364.471 2.203 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752255544 680232264 /nfs/dbraw/zinc/23/22/64/680232264.db2.gz RJAAJVHLIFFLJF-GHMZBOCLSA-N 1 0 361.851 2.318 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H](CCO)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000754394079 680353872 /nfs/dbraw/zinc/35/38/72/680353872.db2.gz HITXZBKWOJVTPV-LSDHHAIUSA-N 1 0 361.423 2.475 20 5 FEBDRO Cc1nn(CCC(=O)OCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000835601960 680358986 /nfs/dbraw/zinc/35/89/86/680358986.db2.gz VAPIJTHDVJWJHK-GOOCMWNKSA-N 1 0 350.419 2.214 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000836089715 680419794 /nfs/dbraw/zinc/41/97/94/680419794.db2.gz PZWSLGRMFGMCTE-LBPRGKRZSA-N 1 0 368.821 2.128 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000755576650 680422452 /nfs/dbraw/zinc/42/24/52/680422452.db2.gz VBXSQYQKNJMOHM-UHFFFAOYSA-N 1 0 350.350 2.239 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000836746804 680506787 /nfs/dbraw/zinc/50/67/87/680506787.db2.gz PSPYLHQAYBXISO-ZDUSSCGKSA-N 1 0 367.833 2.351 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000766930655 680893450 /nfs/dbraw/zinc/89/34/50/680893450.db2.gz IALAGSFNOIATHJ-CYBMUJFWSA-N 1 0 352.435 2.050 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000841892481 680916741 /nfs/dbraw/zinc/91/67/41/680916741.db2.gz ZPFRPHRSJPDWOO-NEPJUHHUSA-N 1 0 372.263 2.244 20 5 FEBDRO C[C@@H](CC[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841966227 680919298 /nfs/dbraw/zinc/91/92/98/680919298.db2.gz AINYZHSYBYRYOG-VIFPVBQESA-N 1 0 371.235 2.162 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000842162777 680929528 /nfs/dbraw/zinc/92/95/28/680929528.db2.gz ICPJOXLEMSUSNT-VXGBXAGGSA-N 1 0 372.263 2.244 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477063 680949309 /nfs/dbraw/zinc/94/93/09/680949309.db2.gz DSHXRUVRMWGPLC-BDJLRTHQSA-N 1 0 352.822 2.403 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000842484039 680950342 /nfs/dbraw/zinc/95/03/42/680950342.db2.gz WFNYHXUDKNVBAP-LBPRGKRZSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000842726873 680962425 /nfs/dbraw/zinc/96/24/25/680962425.db2.gz QHNGDSGCUNDJTC-QWRGUYRKSA-N 1 0 361.851 2.305 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000842825739 680969756 /nfs/dbraw/zinc/96/97/56/680969756.db2.gz ZZPNKYVWMBKEOH-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000842895214 680974064 /nfs/dbraw/zinc/97/40/64/680974064.db2.gz LBACBPDIAWNEHD-NSHDSACASA-N 1 0 361.851 2.367 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843386478 681000763 /nfs/dbraw/zinc/00/07/63/681000763.db2.gz JMQGMODPKAQOAP-UHIISALHSA-N 1 0 352.822 2.259 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(F)F ZINC000843484604 681006314 /nfs/dbraw/zinc/00/63/14/681006314.db2.gz URFJNAVARQMDBJ-SSDOTTSWSA-N 1 0 370.125 2.209 20 5 FEBDRO COCC[N@@H+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000844594822 681067668 /nfs/dbraw/zinc/06/76/68/681067668.db2.gz ZRZUIIIPSKZZOQ-UHFFFAOYSA-N 1 0 352.460 2.334 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844643414 681070186 /nfs/dbraw/zinc/07/01/86/681070186.db2.gz RFIILMARVNXINP-IJLUTSLNSA-N 1 0 352.410 2.353 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000912590217 685401297 /nfs/dbraw/zinc/40/12/97/685401297.db2.gz QBLQCFCWGZFRCV-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000772156668 681087968 /nfs/dbraw/zinc/08/79/68/681087968.db2.gz SDYDITLJCUWUES-STQMWFEESA-N 1 0 353.806 2.150 20 5 FEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000845515315 681134461 /nfs/dbraw/zinc/13/44/61/681134461.db2.gz UBNYFOUVWMEWMC-UHFFFAOYSA-N 1 0 373.812 2.051 20 5 FEBDRO COc1cccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000774096011 681168448 /nfs/dbraw/zinc/16/84/48/681168448.db2.gz NPBFBUWMVLMQHQ-ZDUSSCGKSA-N 1 0 352.387 2.117 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000846312856 681223906 /nfs/dbraw/zinc/22/39/06/681223906.db2.gz SJADTCVAXKWIAH-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000846613554 681267783 /nfs/dbraw/zinc/26/77/83/681267783.db2.gz HNPXIPPFGCAGFN-UHFFFAOYSA-N 1 0 371.235 2.310 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000846986674 681316961 /nfs/dbraw/zinc/31/69/61/681316961.db2.gz CKLSDQAGAAGQDL-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000932825330 681317576 /nfs/dbraw/zinc/31/75/76/681317576.db2.gz NTHFUDVLISNSHN-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000847176200 681340024 /nfs/dbraw/zinc/34/00/24/681340024.db2.gz ACVAVYLZOPTNNQ-UPJWGTAASA-N 1 0 353.394 2.270 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847179158 681340398 /nfs/dbraw/zinc/34/03/98/681340398.db2.gz IDCGAGYDZLCVNE-UTUOFQBUSA-N 1 0 355.822 2.476 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352521 681527791 /nfs/dbraw/zinc/52/77/91/681527791.db2.gz QHSYCRUUUQBSHO-AAEUAGOBSA-N 1 0 361.427 2.346 20 5 FEBDRO CC(C)[NH+](CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)C ZINC000777786725 681529727 /nfs/dbraw/zinc/52/97/27/681529727.db2.gz KMXICMBHAWLXQJ-UHFFFAOYSA-N 1 0 351.432 2.448 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581890 681582503 /nfs/dbraw/zinc/58/25/03/681582503.db2.gz ZHPVXCZVXLANLJ-RYUDHWBXSA-N 1 0 355.341 2.309 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000849411507 681720168 /nfs/dbraw/zinc/72/01/68/681720168.db2.gz LZAJJVTVEKQLOI-GFCCVEGCSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849420105 681725891 /nfs/dbraw/zinc/72/58/91/681725891.db2.gz QZICXNWHIBVWNP-NSHDSACASA-N 1 0 359.423 2.193 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000780206708 681804338 /nfs/dbraw/zinc/80/43/38/681804338.db2.gz AQFOKGALLJKKQB-LBPRGKRZSA-N 1 0 352.460 2.069 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518557 681911974 /nfs/dbraw/zinc/91/19/74/681911974.db2.gz GVRMVPNXPYEZKW-NSHDSACASA-N 1 0 368.377 2.483 20 5 FEBDRO CC[N@@H+](Cc1nc(C)cs1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713233 681918801 /nfs/dbraw/zinc/91/88/01/681918801.db2.gz SXOZSYGZZPOAKB-HUUCEWRRSA-N 1 0 366.487 2.177 20 5 FEBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000850607232 681925202 /nfs/dbraw/zinc/92/52/02/681925202.db2.gz UZWUYLGIHXRISA-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914325499 685503972 /nfs/dbraw/zinc/50/39/72/685503972.db2.gz LSRBVQFOKJJBTN-HOTGVXAUSA-N 1 0 364.471 2.016 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000783317915 682134356 /nfs/dbraw/zinc/13/43/56/682134356.db2.gz XJXIERFWUKXFBW-NSHDSACASA-N 1 0 368.821 2.033 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000783651304 682162988 /nfs/dbraw/zinc/16/29/88/682162988.db2.gz CBHODVMBYRIDBR-WFASDCNBSA-N 1 0 374.846 2.074 20 5 FEBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000851895776 682180555 /nfs/dbraw/zinc/18/05/55/682180555.db2.gz FJBGZGMZIUKSPQ-LLVKDONJSA-N 1 0 365.814 2.006 20 5 FEBDRO Cc1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000783908863 682185788 /nfs/dbraw/zinc/18/57/88/682185788.db2.gz CZFSGESDLNYKIU-KRWDZBQOSA-N 1 0 364.423 2.000 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000917137419 685530021 /nfs/dbraw/zinc/53/00/21/685530021.db2.gz QKKLKLXVQYXBQR-UHFFFAOYSA-N 1 0 355.460 2.197 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000917654452 685533509 /nfs/dbraw/zinc/53/35/09/685533509.db2.gz HBSQUDUNXVAQJH-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000917760160 685534522 /nfs/dbraw/zinc/53/45/22/685534522.db2.gz CGQRGNXPEQCNQJ-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000785386037 682292436 /nfs/dbraw/zinc/29/24/36/682292436.db2.gz QGRUFZAFROTPFL-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO COc1ccc(OCCOC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000785738091 682322369 /nfs/dbraw/zinc/32/23/69/682322369.db2.gz ZYANBZADVBONEI-CHWSQXEVSA-N 1 0 352.387 2.398 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000918744476 685541847 /nfs/dbraw/zinc/54/18/47/685541847.db2.gz IUEJKMRQQHPTHP-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590501 682620322 /nfs/dbraw/zinc/62/03/22/682620322.db2.gz IELFCTYKTDOVBN-LLVKDONJSA-N 1 0 351.363 2.376 20 5 FEBDRO CNc1c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793146272 682867235 /nfs/dbraw/zinc/86/72/35/682867235.db2.gz FMYOXSOFLROVTJ-CYBMUJFWSA-N 1 0 351.403 2.150 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858452954 682969199 /nfs/dbraw/zinc/96/91/99/682969199.db2.gz OIIBBVVULIDMIE-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC000926152008 683083242 /nfs/dbraw/zinc/08/32/42/683083242.db2.gz ZCXNNAJCHKIUJC-MRXNPFEDSA-N 1 0 368.455 2.450 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798159779 683315203 /nfs/dbraw/zinc/31/52/03/683315203.db2.gz YZWIDGJUHVGNNM-SECBINFHSA-N 1 0 359.224 2.212 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798172573 683317409 /nfs/dbraw/zinc/31/74/09/683317409.db2.gz JJHFCIRKDYNVTI-SNVBAGLBSA-N 1 0 371.235 2.166 20 5 FEBDRO CC(C)[C@H](C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](C)C ZINC000798856418 683398774 /nfs/dbraw/zinc/39/87/74/683398774.db2.gz BYZQBEOMSLHKAI-CZUORRHYSA-N 1 0 353.394 2.442 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928434154 683450229 /nfs/dbraw/zinc/45/02/29/683450229.db2.gz HMBSHPOGLRQQGT-TVQRCGJNSA-N 1 0 356.220 2.488 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000921722849 683557578 /nfs/dbraw/zinc/55/75/78/683557578.db2.gz TWQVGTHUDSRCDN-UHFFFAOYSA-N 1 0 367.471 2.421 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000929472833 683600999 /nfs/dbraw/zinc/60/09/99/683600999.db2.gz VHVHMAFUNGMZSX-CQSZACIVSA-N 1 0 367.471 2.403 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)COC1CC[NH+](C)CC1 ZINC000929607234 683616171 /nfs/dbraw/zinc/61/61/71/683616171.db2.gz NEWRANJSQBYMGX-UHFFFAOYSA-N 1 0 355.822 2.317 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844182 683791999 /nfs/dbraw/zinc/79/19/99/683791999.db2.gz BQUZTIZVDOJEAE-RBSFLKMASA-N 1 0 357.451 2.047 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930863183 683794145 /nfs/dbraw/zinc/79/41/45/683794145.db2.gz GVWALXUGOVFFIE-QLFBSQMISA-N 1 0 357.451 2.190 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000931186036 683848700 /nfs/dbraw/zinc/84/87/00/683848700.db2.gz LVCIALXIKHKCFF-CHWSQXEVSA-N 1 0 367.833 2.160 20 5 FEBDRO CC1(C)CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000866327295 684092408 /nfs/dbraw/zinc/09/24/08/684092408.db2.gz ZFWFZFLXQRSLIB-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867349561 684254562 /nfs/dbraw/zinc/25/45/62/684254562.db2.gz SSAPFTPIKFPURT-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@](C)(C[NH3+])C1 ZINC000923413155 684277919 /nfs/dbraw/zinc/27/79/19/684277919.db2.gz UCTRLCJZSKOZAG-TZMCWYRMSA-N 1 0 358.236 2.295 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867525871 684302984 /nfs/dbraw/zinc/30/29/84/684302984.db2.gz FDOCLBOJCYWPMA-CHWSQXEVSA-N 1 0 370.247 2.499 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923733667 684342210 /nfs/dbraw/zinc/34/22/10/684342210.db2.gz DDPQNQDAGLIMKR-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931988020 684383438 /nfs/dbraw/zinc/38/34/38/684383438.db2.gz IJIAXCPKORBCGH-ZDUSSCGKSA-N 1 0 369.849 2.408 20 5 FEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000868011351 684439245 /nfs/dbraw/zinc/43/92/45/684439245.db2.gz HRYXHFDPUBQMMB-VIFPVBQESA-N 1 0 356.220 2.475 20 5 FEBDRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924798196 684494018 /nfs/dbraw/zinc/49/40/18/684494018.db2.gz LPDNTBTZCZRKKM-CHWSQXEVSA-N 1 0 355.460 2.306 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000869897340 684665358 /nfs/dbraw/zinc/66/53/58/684665358.db2.gz QQJZBQAZHFNKLP-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000873395017 685121816 /nfs/dbraw/zinc/12/18/16/685121816.db2.gz FFBUXNYMYOPWQL-HNNXBMFYSA-N 1 0 350.419 2.440 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(F)(F)F ZINC000877362662 686364286 /nfs/dbraw/zinc/36/42/86/686364286.db2.gz GSQGAECEDDIQRA-KOLCDFICSA-N 1 0 365.739 2.386 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000877372262 686368120 /nfs/dbraw/zinc/36/81/20/686368120.db2.gz ZSJGYDXERPCMFA-LKFCYVNXSA-N 1 0 354.204 2.039 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390630 686370988 /nfs/dbraw/zinc/37/09/88/686370988.db2.gz GAIBCLVPIINARS-JJMVLAAESA-N 1 0 353.806 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000881856598 687236096 /nfs/dbraw/zinc/23/60/96/687236096.db2.gz KZKXPIHEAKVPEI-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000882768201 687479792 /nfs/dbraw/zinc/47/97/92/687479792.db2.gz USINUHRAMCSCNF-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc(N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c([N+](=O)[O-])s1 ZINC000882813203 687500614 /nfs/dbraw/zinc/50/06/14/687500614.db2.gz HSLXTTJFLBEFAE-UHFFFAOYSA-N 1 0 352.460 2.275 20 5 FEBDRO C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000883474591 687641186 /nfs/dbraw/zinc/64/11/86/687641186.db2.gz XGGGMTUMXZHUIK-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884949580 687971877 /nfs/dbraw/zinc/97/18/77/687971877.db2.gz GTLNJZVOMGSCPG-ZIAGYGMSSA-N 1 0 353.444 2.062 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884953475 687973258 /nfs/dbraw/zinc/97/32/58/687973258.db2.gz ZJNODITXSJTOOC-NEPJUHHUSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885855449 688169557 /nfs/dbraw/zinc/16/95/57/688169557.db2.gz RBONDAOKFAFVRJ-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885855450 688169853 /nfs/dbraw/zinc/16/98/53/688169853.db2.gz RBONDAOKFAFVRJ-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885859417 688171156 /nfs/dbraw/zinc/17/11/56/688171156.db2.gz ZSXXZSICLHELAB-HNNXBMFYSA-N 1 0 365.455 2.056 20 5 FEBDRO CN(C)S(=O)(=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000886737132 688298653 /nfs/dbraw/zinc/29/86/53/688298653.db2.gz UBZISJABMAATBY-HNNXBMFYSA-N 1 0 367.471 2.331 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899566 688336498 /nfs/dbraw/zinc/33/64/98/688336498.db2.gz OHJVVJAQMZHNGG-MRXNPFEDSA-N 1 0 353.444 2.058 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889716407 688810555 /nfs/dbraw/zinc/81/05/55/688810555.db2.gz RHNWUEIDUCOOAX-GFCCVEGCSA-N 1 0 371.235 2.251 20 5 FEBDRO C[N@@H+]1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889731295 688813563 /nfs/dbraw/zinc/81/35/63/688813563.db2.gz HJSJBNBBKWYSFL-UHFFFAOYSA-N 1 0 371.235 2.204 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745030 688814846 /nfs/dbraw/zinc/81/48/46/688814846.db2.gz QWDOLJQJEXRCDC-QWHCGFSZSA-N 1 0 371.796 2.059 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000892204440 689164514 /nfs/dbraw/zinc/16/45/14/689164514.db2.gz YSARZCUALBOHDH-UHFFFAOYSA-N 1 0 352.435 2.333 20 5 FEBDRO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895244922 689683518 /nfs/dbraw/zinc/68/35/18/689683518.db2.gz ATKKDTRDWLNFDV-MFKMUULPSA-N 1 0 357.252 2.404 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896547471 689890252 /nfs/dbraw/zinc/89/02/52/689890252.db2.gz BYJSJBIJUZYVNN-DOMZBBRYSA-N 1 0 366.487 2.071 20 5 FEBDRO COCCO[C@]12CCC[C@@]1([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000897998691 690113466 /nfs/dbraw/zinc/11/34/66/690113466.db2.gz ATVRKVBFLOKKFZ-QZTJIDSGSA-N 1 0 350.415 2.429 20 5 FEBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898123182 690131290 /nfs/dbraw/zinc/13/12/90/690131290.db2.gz STVDOWVEYJKKEB-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1C ZINC000898585417 690213902 /nfs/dbraw/zinc/21/39/02/690213902.db2.gz WPCLFEAXBNMEAG-AWEZNQCLSA-N 1 0 350.463 2.213 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1F ZINC000898828610 690258848 /nfs/dbraw/zinc/25/88/48/690258848.db2.gz CYVLQMCRDTVOQL-LSDHHAIUSA-N 1 0 351.378 2.345 20 5 FEBDRO C[NH2+]C1(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000899150829 690311852 /nfs/dbraw/zinc/31/18/52/690311852.db2.gz OKRLFTYFTPKVRB-UHFFFAOYSA-N 1 0 356.220 2.158 20 5 FEBDRO COc1cc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C)cc([N+](=O)[O-])c1 ZINC000903172379 690860354 /nfs/dbraw/zinc/86/03/54/690860354.db2.gz PIQZTJWRHBPJHH-NHYWBVRUSA-N 1 0 355.460 2.464 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000903202381 690865494 /nfs/dbraw/zinc/86/54/94/690865494.db2.gz BKEBYNZJGGAPNI-UHFFFAOYSA-N 1 0 373.862 2.415 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1C ZINC000903203596 690866189 /nfs/dbraw/zinc/86/61/89/690866189.db2.gz CKUPGCTZGOZJNM-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903484733 690898891 /nfs/dbraw/zinc/89/88/91/690898891.db2.gz CVDNBKGJTWYOBZ-AWEZNQCLSA-N 1 0 352.822 2.451 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903592876 690934804 /nfs/dbraw/zinc/93/48/04/690934804.db2.gz IFCHSMFIBJODNY-AWEZNQCLSA-N 1 0 359.835 2.073 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000905477029 691123685 /nfs/dbraw/zinc/12/36/85/691123685.db2.gz DARFPDWSYNHTTE-HUUCEWRRSA-N 1 0 350.415 2.273 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063915 691384496 /nfs/dbraw/zinc/38/44/96/691384496.db2.gz DRHBWOYJGXTVNI-MFKMUULPSA-N 1 0 352.822 2.387 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000907856626 691571640 /nfs/dbraw/zinc/57/16/40/691571640.db2.gz ZWAHPHMHBZBWJH-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626977 719054370 /nfs/dbraw/zinc/05/43/70/719054370.db2.gz SSRHCYMPRRFRHS-FUHWJXTLSA-N 1 0 354.410 2.329 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807992 720087655 /nfs/dbraw/zinc/08/76/55/720087655.db2.gz GUMQKKPBRVQHLY-KDOFPFPSSA-N 1 0 364.421 2.314 20 5 FEBDRO Cc1cc(Cl)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164728605 720511300 /nfs/dbraw/zinc/51/13/00/720511300.db2.gz GQIFLJCXCDVPEZ-GFCCVEGCSA-N 1 0 364.837 2.346 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164905973 721562753 /nfs/dbraw/zinc/56/27/53/721562753.db2.gz IHQXKDWKIAGPRW-GOEBONIOSA-N 1 0 373.388 2.174 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164931002 721889325 /nfs/dbraw/zinc/88/93/25/721889325.db2.gz DYLNFQHOSTXXTN-ZWKOTPCHSA-N 1 0 355.442 2.358 20 5 FEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834793 889096525 /nfs/dbraw/zinc/09/65/25/889096525.db2.gz UYXMBEMSOICVLV-DGCLKSJQSA-N 1 0 361.402 2.484 20 5 FEBDRO O=Cc1ccc(OCC(=O)OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000800167055 674028729 /nfs/dbraw/zinc/02/87/29/674028729.db2.gz YSOUILMUBJLYPU-UHFFFAOYSA-N 1 0 350.371 2.205 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010082049 539512238 /nfs/dbraw/zinc/51/22/38/539512238.db2.gz WVEWWRTZHLBBJN-MRXNPFEDSA-N 1 0 374.372 2.092 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000015360853 539616111 /nfs/dbraw/zinc/61/61/11/539616111.db2.gz KMSLOSFSBFLPEE-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO Cc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000018901526 539649607 /nfs/dbraw/zinc/64/96/07/539649607.db2.gz VHYFZHXPSKAGNA-UHFFFAOYSA-N 1 0 354.410 2.324 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000031465670 539908556 /nfs/dbraw/zinc/90/85/56/539908556.db2.gz URRYVWXHSGQFLU-UHFFFAOYSA-N 1 0 356.382 2.139 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H](C)[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000033093498 539967126 /nfs/dbraw/zinc/96/71/26/539967126.db2.gz JCGZYFWONAVMSA-LBPRGKRZSA-N 1 0 359.430 2.136 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000041277487 540015822 /nfs/dbraw/zinc/01/58/22/540015822.db2.gz OVSDPSFTNGHHFA-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000041642048 540028554 /nfs/dbraw/zinc/02/85/54/540028554.db2.gz YFUJGYAJBQKAJT-INIZCTEOSA-N 1 0 362.430 2.160 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)[NH+](C)C)c1 ZINC000041903954 540038879 /nfs/dbraw/zinc/03/88/79/540038879.db2.gz KQTKKQNJWSTIAU-QGZVFWFLSA-N 1 0 358.398 2.340 20 5 FEBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC000046408825 540255945 /nfs/dbraw/zinc/25/59/45/540255945.db2.gz LTMAVNXAXRPTFU-HNNXBMFYSA-N 1 0 360.458 2.412 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000046933964 540277635 /nfs/dbraw/zinc/27/76/35/540277635.db2.gz IAHQJEUNKMORDU-UHFFFAOYSA-N 1 0 369.425 2.298 20 5 FEBDRO C[NH+](C)CCOc1ccccc1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000047296988 540302312 /nfs/dbraw/zinc/30/23/12/540302312.db2.gz AHQRDHLGRLYQSG-UHFFFAOYSA-N 1 0 372.425 2.377 20 5 FEBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047460166 540312681 /nfs/dbraw/zinc/31/26/81/540312681.db2.gz FJXHUEBUMCCCCM-ZDUSSCGKSA-N 1 0 370.409 2.413 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000049131548 540381990 /nfs/dbraw/zinc/38/19/90/540381990.db2.gz OQUVFWFBHVNDLI-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000049304912 540387167 /nfs/dbraw/zinc/38/71/67/540387167.db2.gz GZCREXXPMMCRMZ-UHFFFAOYSA-N 1 0 370.409 2.172 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000049969130 540395371 /nfs/dbraw/zinc/39/53/71/540395371.db2.gz YVJPFGRGFAIZIC-AWEZNQCLSA-N 1 0 364.446 2.204 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000050801968 540414646 /nfs/dbraw/zinc/41/46/46/540414646.db2.gz MMQWTFJVBNQYRJ-VOTSOKGWSA-N 1 0 372.469 2.283 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000052660701 540480323 /nfs/dbraw/zinc/48/03/23/540480323.db2.gz YQEYTWHNJDGEOM-AWEZNQCLSA-N 1 0 364.446 2.204 20 5 FEBDRO CNS(=O)(=O)c1ccc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981047 540619581 /nfs/dbraw/zinc/61/95/81/540619581.db2.gz FHEOGOUHEBVLSS-CHWSQXEVSA-N 1 0 370.475 2.035 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000056091108 540702072 /nfs/dbraw/zinc/70/20/72/540702072.db2.gz PUDRUSWDFKQPSH-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO CNc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000057166977 540774419 /nfs/dbraw/zinc/77/44/19/540774419.db2.gz SLILLZCEDZJOOS-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063081853 541156031 /nfs/dbraw/zinc/15/60/31/541156031.db2.gz UKIIPAMHNWNQML-UHFFFAOYSA-N 1 0 371.441 2.210 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000063693777 541179181 /nfs/dbraw/zinc/17/91/81/541179181.db2.gz QUAJECTUHBZCSP-LBPRGKRZSA-N 1 0 350.375 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105731 541282827 /nfs/dbraw/zinc/28/28/27/541282827.db2.gz SNRHXBJPAVNUFO-GFCCVEGCSA-N 1 0 359.835 2.107 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000066483801 541325729 /nfs/dbraw/zinc/32/57/29/541325729.db2.gz ANRVSUBKIVAOQN-MDZRGWNJSA-N 1 0 365.474 2.275 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000067143162 541424350 /nfs/dbraw/zinc/42/43/50/541424350.db2.gz VSPMLCNIUFAMCK-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+]1CCC(C)CC1 ZINC000067148473 541425216 /nfs/dbraw/zinc/42/52/16/541425216.db2.gz RUYVANPAGUEHRF-CQSZACIVSA-N 1 0 372.429 2.026 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067392996 541454821 /nfs/dbraw/zinc/45/48/21/541454821.db2.gz SVOLXCFTXBQABQ-CYBMUJFWSA-N 1 0 362.430 2.160 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067392997 541455216 /nfs/dbraw/zinc/45/52/16/541455216.db2.gz SVOLXCFTXBQABQ-ZDUSSCGKSA-N 1 0 362.430 2.160 20 5 FEBDRO Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067487039 541471040 /nfs/dbraw/zinc/47/10/40/541471040.db2.gz UFWZBQIAGAJVPF-OAHLLOKOSA-N 1 0 350.419 2.118 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000067764474 541510230 /nfs/dbraw/zinc/51/02/30/541510230.db2.gz QUEKCZWOESQIEF-HNNXBMFYSA-N 1 0 374.397 2.326 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000067949792 541532364 /nfs/dbraw/zinc/53/23/64/541532364.db2.gz ULQXGZNPKQOENV-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO C[NH+]1CCN(C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000068024285 541539785 /nfs/dbraw/zinc/53/97/85/541539785.db2.gz MTOWIAVTWNAXFH-IBGZPJMESA-N 1 0 368.437 2.313 20 5 FEBDRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000068024786 541540453 /nfs/dbraw/zinc/54/04/53/541540453.db2.gz DRGTVVXLTAZQOH-LJQANCHMSA-N 1 0 368.437 2.313 20 5 FEBDRO C[C@H]1CCC[C@](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000068110644 541550663 /nfs/dbraw/zinc/55/06/63/541550663.db2.gz CINIBZYDJPKWMM-GUYCJALGSA-N 1 0 351.451 2.153 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000068178579 541558690 /nfs/dbraw/zinc/55/86/90/541558690.db2.gz KBXUKRTXDRYXHU-CYBMUJFWSA-N 1 0 363.443 2.115 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000068367687 541583338 /nfs/dbraw/zinc/58/33/38/541583338.db2.gz RKDAPEUOKUTZRV-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476167 541597000 /nfs/dbraw/zinc/59/70/00/541597000.db2.gz ZVJZMHJCKPQNMK-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000068486508 541598429 /nfs/dbraw/zinc/59/84/29/541598429.db2.gz JOHYWAFXKSKQFT-INIZCTEOSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068777443 541626868 /nfs/dbraw/zinc/62/68/68/541626868.db2.gz WJLUZXOLQSPOND-UHFFFAOYSA-N 1 0 350.375 2.368 20 5 FEBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069076568 541654250 /nfs/dbraw/zinc/65/42/50/541654250.db2.gz LBNLDFFKXGQNCE-GOSISDBHSA-N 1 0 372.469 2.434 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069124899 541660592 /nfs/dbraw/zinc/66/05/92/541660592.db2.gz MACCWSUAMRBDFD-OAHLLOKOSA-N 1 0 353.444 2.234 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531036 541695250 /nfs/dbraw/zinc/69/52/50/541695250.db2.gz OSSJIKFNYTWAOQ-HIFRSBDPSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[S@@](=O)c3ccccc3)C2)nc1 ZINC000072665205 541847605 /nfs/dbraw/zinc/84/76/05/541847605.db2.gz GMYOFUKVVFJEKT-SXBQZSJRSA-N 1 0 360.439 2.284 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000072823764 541873370 /nfs/dbraw/zinc/87/33/70/541873370.db2.gz BOIXEZZZIYZGJT-CRAIPNDOSA-N 1 0 360.458 2.364 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073052771 541913709 /nfs/dbraw/zinc/91/37/09/541913709.db2.gz CPAWLVHHQBSTOH-AWEZNQCLSA-N 1 0 365.430 2.001 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000110417843 206075294 /nfs/dbraw/zinc/07/52/94/206075294.db2.gz OKFMYPQCDOHBGK-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000074318426 542068847 /nfs/dbraw/zinc/06/88/47/542068847.db2.gz NNYOXVOIDDXBLN-CYBMUJFWSA-N 1 0 357.414 2.275 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000075675532 542197180 /nfs/dbraw/zinc/19/71/80/542197180.db2.gz MAJLNAHZFVPVIE-AWEZNQCLSA-N 1 0 366.443 2.015 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000076387758 542271909 /nfs/dbraw/zinc/27/19/09/542271909.db2.gz URIDSAJLNPTBET-OAHLLOKOSA-N 1 0 371.441 2.223 20 5 FEBDRO Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000077452482 542383973 /nfs/dbraw/zinc/38/39/73/542383973.db2.gz CHXMWMVBVDCOIG-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078544515 542467247 /nfs/dbraw/zinc/46/72/47/542467247.db2.gz IDFNBTMMUSZHRA-LLVKDONJSA-N 1 0 355.826 2.006 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000078687122 542476671 /nfs/dbraw/zinc/47/66/71/542476671.db2.gz URMRDNDMIIJWIZ-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO C[N@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1)C1CC1 ZINC000091632170 542817366 /nfs/dbraw/zinc/81/73/66/542817366.db2.gz MJXUATPTEUDVQK-UHFFFAOYSA-N 1 0 355.398 2.469 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000092421692 542862447 /nfs/dbraw/zinc/86/24/47/542862447.db2.gz DYNHRPGYFRMOJV-INIZCTEOSA-N 1 0 361.442 2.314 20 5 FEBDRO Nc1nc(-n2cccn2)cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]1 ZINC000092923911 542896396 /nfs/dbraw/zinc/89/63/96/542896396.db2.gz ZPWVIRZRDOSIEW-UHFFFAOYSA-N 1 0 351.370 2.322 20 5 FEBDRO COc1cc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000101646017 543038816 /nfs/dbraw/zinc/03/88/16/543038816.db2.gz PNOHHQCKXNWWTF-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1cc(CN(C)[C@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000105614074 543178002 /nfs/dbraw/zinc/17/80/02/543178002.db2.gz FAMKLOCMHZWVFQ-NSHDSACASA-N 1 0 373.356 2.305 20 5 FEBDRO COCC[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106107063 543198617 /nfs/dbraw/zinc/19/86/17/543198617.db2.gz MCBCACJSWVUXGP-HNNXBMFYSA-N 1 0 374.441 2.445 20 5 FEBDRO C[NH+](C)CCCOc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000107194514 543262595 /nfs/dbraw/zinc/26/25/95/543262595.db2.gz YBIOORQUJXAWNE-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCOC1 ZINC000107691995 543275373 /nfs/dbraw/zinc/27/53/73/543275373.db2.gz ISUHXNNUCPYBGV-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000107894201 543281043 /nfs/dbraw/zinc/28/10/43/543281043.db2.gz BYLOBHDIUQBAGE-OAHLLOKOSA-N 1 0 360.458 2.269 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109293948 543320764 /nfs/dbraw/zinc/32/07/64/543320764.db2.gz ZUMBSJMSZPFPOZ-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000109816949 543340526 /nfs/dbraw/zinc/34/05/26/543340526.db2.gz NRAISCNKCKSGBC-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000111348314 543398031 /nfs/dbraw/zinc/39/80/31/543398031.db2.gz UXXBMKDALNRIQU-GFCCVEGCSA-N 1 0 369.468 2.455 20 5 FEBDRO CC[N@H+](CCNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])C1CC1 ZINC000112079372 543429826 /nfs/dbraw/zinc/42/98/26/543429826.db2.gz YSRUZASMISBHRX-UHFFFAOYSA-N 1 0 357.414 2.456 20 5 FEBDRO CN(C)C(=O)CN1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112081012 543430031 /nfs/dbraw/zinc/43/00/31/543430031.db2.gz RYRYNTRYWMHTPA-UHFFFAOYSA-N 1 0 357.414 2.108 20 5 FEBDRO CC1CCC([NH+]2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000115255721 543556457 /nfs/dbraw/zinc/55/64/57/543556457.db2.gz PYUXSSRTOCWAKB-UHFFFAOYSA-N 1 0 363.462 2.249 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115272456 543557199 /nfs/dbraw/zinc/55/71/99/543557199.db2.gz XIHKBYNPKMWYFW-QAPCUYQASA-N 1 0 363.458 2.391 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000552096206 674186983 /nfs/dbraw/zinc/18/69/83/674186983.db2.gz VBDVAEMNJZPBNY-UONOGXRCSA-N 1 0 370.475 2.222 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247479928 549341710 /nfs/dbraw/zinc/34/17/10/549341710.db2.gz SRHRDORYWPLEHI-SUMWQHHRSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123957335 543793401 /nfs/dbraw/zinc/79/34/01/543793401.db2.gz FMLBXBKUQLXJSQ-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124841543 543845993 /nfs/dbraw/zinc/84/59/93/543845993.db2.gz DBPPFELFYLGBLR-GFCCVEGCSA-N 1 0 361.489 2.317 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCCO1 ZINC000126039410 543914716 /nfs/dbraw/zinc/91/47/16/543914716.db2.gz ODTPTIVZBOESFY-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO CCN(CC)C(=O)[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128430352 544052169 /nfs/dbraw/zinc/05/21/69/544052169.db2.gz GBCHEEAQNCPXOJ-OAHLLOKOSA-N 1 0 373.413 2.478 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000129625589 544121430 /nfs/dbraw/zinc/12/14/30/544121430.db2.gz ZNYQQOUREJDZKK-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130925894 544170782 /nfs/dbraw/zinc/17/07/82/544170782.db2.gz IIFPCKBRCYVGOX-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000133353093 544266004 /nfs/dbraw/zinc/26/60/04/544266004.db2.gz UELUKSOVDNMDRO-YYUOZPCZSA-N 1 0 350.444 2.242 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000133634025 544277583 /nfs/dbraw/zinc/27/75/83/544277583.db2.gz WDCKMKDGGSGINW-CALCHBBNSA-N 1 0 374.485 2.154 20 5 FEBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247505234 549345916 /nfs/dbraw/zinc/34/59/16/549345916.db2.gz IUWDCDGRTLMGIO-WCQYABFASA-N 1 0 359.386 2.164 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000135234099 544338699 /nfs/dbraw/zinc/33/86/99/544338699.db2.gz KQFDIIWDNQMYJN-SJORKVTESA-N 1 0 350.415 2.116 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135575932 544353895 /nfs/dbraw/zinc/35/38/95/544353895.db2.gz KUHUAVZDEDCPJL-UHFFFAOYSA-N 1 0 363.414 2.113 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135526791 544351023 /nfs/dbraw/zinc/35/10/23/544351023.db2.gz KIANFSXOAYDWNZ-HOTGVXAUSA-N 1 0 365.455 2.438 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136975981 544382468 /nfs/dbraw/zinc/38/24/68/544382468.db2.gz IXQQHROLBBQRGU-DWTRPJMMSA-N 1 0 359.426 2.225 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000150797742 544473586 /nfs/dbraw/zinc/47/35/86/544473586.db2.gz HKOXZOAPYUCHMS-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO O=c1[nH]cnc2cc(N3CCC[C@H]([NH+]4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000150885349 544483155 /nfs/dbraw/zinc/48/31/55/544483155.db2.gz ARAXPLSQKASDFG-ZDUSSCGKSA-N 1 0 357.414 2.286 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000151635443 544564844 /nfs/dbraw/zinc/56/48/44/544564844.db2.gz NQZCLZZBMNITGI-GFCCVEGCSA-N 1 0 373.862 2.355 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151835055 544586407 /nfs/dbraw/zinc/58/64/07/544586407.db2.gz ZKUIOMFKZSPFNZ-ZBFHGGJFSA-N 1 0 359.382 2.375 20 5 FEBDRO O=C(NCc1nccn1CCCc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000152533706 544665529 /nfs/dbraw/zinc/66/55/29/544665529.db2.gz LONWBABDPMDLAK-UHFFFAOYSA-N 1 0 354.370 2.077 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000153374573 544767723 /nfs/dbraw/zinc/76/77/23/544767723.db2.gz RHJFVEAACUYWEE-AWEZNQCLSA-N 1 0 353.444 2.031 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000153433846 544774664 /nfs/dbraw/zinc/77/46/64/544774664.db2.gz YPTCHMFDIBPEQU-UHFFFAOYSA-N 1 0 361.377 2.099 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000153766957 544820890 /nfs/dbraw/zinc/82/08/90/544820890.db2.gz IFXKUSFJFXEFID-HIFRSBDPSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1cc(NC(=O)C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000154479637 544911854 /nfs/dbraw/zinc/91/18/54/544911854.db2.gz QBKXVXBSQRTHNN-INIZCTEOSA-N 1 0 374.397 2.275 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154706620 544939941 /nfs/dbraw/zinc/93/99/41/544939941.db2.gz ZXIFFHZGVQKQKR-KDOFPFPSSA-N 1 0 369.425 2.337 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000179986200 327667371 /nfs/dbraw/zinc/66/73/71/327667371.db2.gz FDEUARPIIJBRAU-UHFFFAOYSA-N 1 0 357.366 2.315 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000180348072 327682001 /nfs/dbraw/zinc/68/20/01/327682001.db2.gz IIVTXJDCYGWHCV-UHFFFAOYSA-N 1 0 374.485 2.374 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209169 327807271 /nfs/dbraw/zinc/80/72/71/327807271.db2.gz WUTOAEXUSZXCAU-RDTXWAMCSA-N 1 0 374.441 2.278 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000184448752 327868082 /nfs/dbraw/zinc/86/80/82/327868082.db2.gz XMFCDJREASMTEP-INIZCTEOSA-N 1 0 367.471 2.375 20 5 FEBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188142881 328069147 /nfs/dbraw/zinc/06/91/47/328069147.db2.gz HQPMBAVYTQCJOB-OAHLLOKOSA-N 1 0 356.382 2.262 20 5 FEBDRO CSc1cccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000188186850 328072051 /nfs/dbraw/zinc/07/20/51/328072051.db2.gz YIIHLPVBBTWGMM-CYBMUJFWSA-N 1 0 365.455 2.111 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188621218 328099410 /nfs/dbraw/zinc/09/94/10/328099410.db2.gz SDHTWJXFKJFPLX-CQSZACIVSA-N 1 0 362.430 2.242 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189094225 328128430 /nfs/dbraw/zinc/12/84/30/328128430.db2.gz NHSWSOOKQJQIIJ-OAHLLOKOSA-N 1 0 353.444 2.186 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189167144 328132743 /nfs/dbraw/zinc/13/27/43/328132743.db2.gz ZPAREWZZMCGGGZ-OAHLLOKOSA-N 1 0 353.444 2.186 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000189442379 328148516 /nfs/dbraw/zinc/14/85/16/328148516.db2.gz QHSURBYSBCTBDL-OAHLLOKOSA-N 1 0 350.463 2.427 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000190410218 328206180 /nfs/dbraw/zinc/20/61/80/328206180.db2.gz FWZRDEIXBOMNPG-ZWNOBZJWSA-N 1 0 360.357 2.450 20 5 FEBDRO CCOC(=O)c1ccnc(N(CC)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000190975520 328243178 /nfs/dbraw/zinc/24/31/78/328243178.db2.gz HEUWSORTOQBQHM-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191473037 328267458 /nfs/dbraw/zinc/26/74/58/328267458.db2.gz XHWYPCGKLMQPLV-UHFFFAOYSA-N 1 0 359.430 2.365 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)n1 ZINC000191495167 328268347 /nfs/dbraw/zinc/26/83/47/328268347.db2.gz QRWQGNKHVBGKNG-UHFFFAOYSA-N 1 0 361.402 2.141 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000191785876 328281654 /nfs/dbraw/zinc/28/16/54/328281654.db2.gz MPPIZBZFAAXCBO-UHFFFAOYSA-N 1 0 371.441 2.453 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000191917180 328288706 /nfs/dbraw/zinc/28/87/06/328288706.db2.gz ANLVOPVTLOHJSQ-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191971714 328291081 /nfs/dbraw/zinc/29/10/81/328291081.db2.gz ONTCIAYCTFWWRS-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000192221181 328307510 /nfs/dbraw/zinc/30/75/10/328307510.db2.gz LAXDACLCWWFLKQ-OAHLLOKOSA-N 1 0 359.382 2.209 20 5 FEBDRO CC1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000192498261 328322223 /nfs/dbraw/zinc/32/22/23/328322223.db2.gz VMDGXLCHDHRPJA-CALCHBBNSA-N 1 0 372.469 2.465 20 5 FEBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000192884241 328344921 /nfs/dbraw/zinc/34/49/21/328344921.db2.gz UVWZPHQBBJRKBG-ZDUSSCGKSA-N 1 0 362.430 2.158 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000194661130 328434798 /nfs/dbraw/zinc/43/47/98/328434798.db2.gz ZCYPGQXBGJWPKU-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO COc1cc(CCNC(=O)c2ccc(C[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000195139883 328458003 /nfs/dbraw/zinc/45/80/03/328458003.db2.gz RSBMVBLIQZJKAH-UHFFFAOYSA-N 1 0 359.382 2.043 20 5 FEBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000195271366 328466577 /nfs/dbraw/zinc/46/65/77/328466577.db2.gz OBSUYPRDQNJSLW-UHFFFAOYSA-N 1 0 358.442 2.118 20 5 FEBDRO NC(=O)c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000022357148 324398711 /nfs/dbraw/zinc/39/87/11/324398711.db2.gz LMIYWHOMYJJOAR-UHFFFAOYSA-N 1 0 368.437 2.402 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000046266403 324603070 /nfs/dbraw/zinc/60/30/70/324603070.db2.gz WROIFOJENRKDTR-OAHLLOKOSA-N 1 0 363.462 2.157 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055573205 324781774 /nfs/dbraw/zinc/78/17/74/324781774.db2.gz HPHKJEIMZRGSHV-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000237037060 328502102 /nfs/dbraw/zinc/50/21/02/328502102.db2.gz KMJASRMMLYXUFU-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081047804 325157282 /nfs/dbraw/zinc/15/72/82/325157282.db2.gz BQGUDNYGEOEJLH-CQSZACIVSA-N 1 0 361.320 2.231 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000090394416 325357352 /nfs/dbraw/zinc/35/73/52/325357352.db2.gz PFAGZXJUYCBGNM-JKSUJKDBSA-N 1 0 371.441 2.258 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000101951105 325484496 /nfs/dbraw/zinc/48/44/96/325484496.db2.gz QDIQUFCDMKTQRP-AWEZNQCLSA-N 1 0 362.430 2.280 20 5 FEBDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000104922780 325551125 /nfs/dbraw/zinc/55/11/25/325551125.db2.gz ZQMFLTGLSWWIDX-UHFFFAOYSA-N 1 0 369.421 2.482 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000106363923 325595109 /nfs/dbraw/zinc/59/51/09/325595109.db2.gz RCQJNFPTQQFTJR-LBPRGKRZSA-N 1 0 350.375 2.286 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000108368393 325640910 /nfs/dbraw/zinc/64/09/10/325640910.db2.gz XLENCIVKECLFKJ-CYBMUJFWSA-N 1 0 364.446 2.393 20 5 FEBDRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000112255634 325763724 /nfs/dbraw/zinc/76/37/24/325763724.db2.gz DNESIGCZBSDLHS-UHFFFAOYSA-N 1 0 372.381 2.266 20 5 FEBDRO Cc1c(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000118792930 326102525 /nfs/dbraw/zinc/10/25/25/326102525.db2.gz OGVXVTDTZAQUDY-AWEZNQCLSA-N 1 0 350.419 2.478 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000120130855 326232980 /nfs/dbraw/zinc/23/29/80/326232980.db2.gz DKOQXCJROKXMRQ-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000120295460 326247363 /nfs/dbraw/zinc/24/73/63/326247363.db2.gz JRGFOOKMXVDONN-CQSZACIVSA-N 1 0 353.386 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000121912485 326375439 /nfs/dbraw/zinc/37/54/39/326375439.db2.gz DXQAPVPQELWQQF-CYBMUJFWSA-N 1 0 364.446 2.243 20 5 FEBDRO Cc1c(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000122516804 326399971 /nfs/dbraw/zinc/39/99/71/326399971.db2.gz VQZDASFGLXFHNR-MRXNPFEDSA-N 1 0 361.442 2.017 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000122855362 326411768 /nfs/dbraw/zinc/41/17/68/326411768.db2.gz JHELNSHPKDVNIV-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000123099745 326419837 /nfs/dbraw/zinc/41/98/37/326419837.db2.gz ZPGSHRHFCIQAMP-CYBMUJFWSA-N 1 0 357.414 2.284 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000124528162 326455701 /nfs/dbraw/zinc/45/57/01/326455701.db2.gz DRWZIWUJGRNSQS-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[NH2+]C1 ZINC000127274634 326503385 /nfs/dbraw/zinc/50/33/85/326503385.db2.gz NVGJGZSWRHHIJJ-CVEARBPZSA-N 1 0 360.458 2.269 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000127890577 326514343 /nfs/dbraw/zinc/51/43/43/326514343.db2.gz JBOIXNHCFVAIIC-UHFFFAOYSA-N 1 0 357.414 2.031 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000128358990 326522341 /nfs/dbraw/zinc/52/23/41/326522341.db2.gz RHZPOBZTQQHNQI-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000132219290 326589031 /nfs/dbraw/zinc/58/90/31/326589031.db2.gz AXXXAISNWLLAPD-HNNXBMFYSA-N 1 0 350.415 2.491 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134820273 326631957 /nfs/dbraw/zinc/63/19/57/326631957.db2.gz HMKDHIHALIEQEE-KGLIPLIRSA-N 1 0 357.414 2.383 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136859014 326655880 /nfs/dbraw/zinc/65/58/80/326655880.db2.gz XKUMGWLHGGWFFM-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000150779526 326667529 /nfs/dbraw/zinc/66/75/29/326667529.db2.gz IFABXNWZYHFFMI-ZFWWWQNUSA-N 1 0 363.414 2.236 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151627516 326687176 /nfs/dbraw/zinc/68/71/76/326687176.db2.gz AYRXABLXEYSWMN-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000157201399 326858197 /nfs/dbraw/zinc/85/81/97/326858197.db2.gz JDATWJBLUTVYTR-UHFFFAOYSA-N 1 0 373.409 2.270 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159153390 326921000 /nfs/dbraw/zinc/92/10/00/326921000.db2.gz HAGDJFYWNVSLLC-PHIMTYICSA-N 1 0 354.204 2.324 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159501601 326933503 /nfs/dbraw/zinc/93/35/03/326933503.db2.gz IRKUIOHCWHAACX-UHFFFAOYSA-N 1 0 359.430 2.440 20 5 FEBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161908816 327012248 /nfs/dbraw/zinc/01/22/48/327012248.db2.gz JGXCKDQVMWQLDN-ZBFHGGJFSA-N 1 0 358.442 2.408 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163769429 327058268 /nfs/dbraw/zinc/05/82/68/327058268.db2.gz AXMIHBRGMMXDME-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164232125 327067054 /nfs/dbraw/zinc/06/70/54/327067054.db2.gz VABKQZMTMSFPDJ-JSGCOSHPSA-N 1 0 362.386 2.368 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000164529272 327071388 /nfs/dbraw/zinc/07/13/88/327071388.db2.gz KNYOHBOOBPVGIY-HNNXBMFYSA-N 1 0 357.414 2.113 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170713257 327095176 /nfs/dbraw/zinc/09/51/76/327095176.db2.gz RAONSGDHWVFUDW-CQSZACIVSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544422 327207238 /nfs/dbraw/zinc/20/72/38/327207238.db2.gz ISIZJDKDCNVWIW-ZDUSSCGKSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccccc1NC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000172720833 327215252 /nfs/dbraw/zinc/21/52/52/327215252.db2.gz YIBIIINGYPMXLO-UHFFFAOYSA-N 1 0 373.413 2.151 20 5 FEBDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343806 327250957 /nfs/dbraw/zinc/25/09/57/327250957.db2.gz LTUXUJNIZPUQBF-WMLDXEAASA-N 1 0 351.472 2.453 20 5 FEBDRO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc12 ZINC000173465050 327259041 /nfs/dbraw/zinc/25/90/41/327259041.db2.gz YJYRRIQBKGQSCR-CQSZACIVSA-N 1 0 367.413 2.266 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173992751 327300048 /nfs/dbraw/zinc/30/00/48/327300048.db2.gz BJOTXUQGLBSHIO-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000174119937 327307348 /nfs/dbraw/zinc/30/73/48/327307348.db2.gz WPQDVGPOHBGPEL-CYBMUJFWSA-N 1 0 362.386 2.130 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718342 327345501 /nfs/dbraw/zinc/34/55/01/327345501.db2.gz UFDOBDYYTPUNDW-GXFFZTMASA-N 1 0 356.329 2.104 20 5 FEBDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738122 327347562 /nfs/dbraw/zinc/34/75/62/327347562.db2.gz IJOUKVUOOFGVMW-AWEZNQCLSA-N 1 0 358.320 2.303 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000174880242 327357517 /nfs/dbraw/zinc/35/75/17/327357517.db2.gz KOMHUANCLAYPFP-CYBMUJFWSA-N 1 0 353.423 2.123 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175393884 327390548 /nfs/dbraw/zinc/39/05/48/327390548.db2.gz QSOYFHYKEJERLU-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000176431510 327455461 /nfs/dbraw/zinc/45/54/61/327455461.db2.gz ALLSLFIFZVVQFD-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000176662351 327468564 /nfs/dbraw/zinc/46/85/64/327468564.db2.gz OKWIESLTHQYKTH-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178002601 327557947 /nfs/dbraw/zinc/55/79/47/327557947.db2.gz KPOVSFQFQZVJKS-MNOVXSKESA-N 1 0 368.821 2.176 20 5 FEBDRO CC[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178264860 327575296 /nfs/dbraw/zinc/57/52/96/327575296.db2.gz SPYKNCQEFSBTMW-MRXNPFEDSA-N 1 0 355.460 2.307 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000261741285 328815840 /nfs/dbraw/zinc/81/58/40/328815840.db2.gz PEPANJTZYWHWDP-YPMHNXCESA-N 1 0 364.427 2.033 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261836700 328823470 /nfs/dbraw/zinc/82/34/70/328823470.db2.gz UEUOXZKJWBTKLS-SFHVURJKSA-N 1 0 369.425 2.273 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261913037 328829072 /nfs/dbraw/zinc/82/90/72/328829072.db2.gz YKNIOISCGXEFFH-AAEUAGOBSA-N 1 0 353.444 2.032 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000262013964 328835228 /nfs/dbraw/zinc/83/52/28/328835228.db2.gz RCOXSYNFTYKINF-BLLLJJGKSA-N 1 0 371.441 2.266 20 5 FEBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000262614963 328876549 /nfs/dbraw/zinc/87/65/49/328876549.db2.gz CQKQNNUZRFGPTH-SFHVURJKSA-N 1 0 354.410 2.252 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC000264170549 328996791 /nfs/dbraw/zinc/99/67/91/328996791.db2.gz VMDNTMTWKMHDDW-CYBMUJFWSA-N 1 0 364.446 2.393 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264441394 329023454 /nfs/dbraw/zinc/02/34/54/329023454.db2.gz FVBFTCCZNSJWHB-UHFFFAOYSA-N 1 0 357.414 2.202 20 5 FEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000266014313 329181963 /nfs/dbraw/zinc/18/19/63/329181963.db2.gz QMCCYTKBBYQRSC-IAGOWNOFSA-N 1 0 350.415 2.355 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266072281 329187522 /nfs/dbraw/zinc/18/75/22/329187522.db2.gz CGBRAWJHOHHTFJ-AWEZNQCLSA-N 1 0 365.405 2.447 20 5 FEBDRO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1OC ZINC000266090479 329189341 /nfs/dbraw/zinc/18/93/41/329189341.db2.gz PVZZXQWULQUQRN-UHFFFAOYSA-N 1 0 353.419 2.461 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266181797 329198053 /nfs/dbraw/zinc/19/80/53/329198053.db2.gz YEGGFLUYQMTIMQ-UHFFFAOYSA-N 1 0 373.837 2.102 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266260411 329205676 /nfs/dbraw/zinc/20/56/76/329205676.db2.gz DPFDPKAEHDSDRS-LBPRGKRZSA-N 1 0 359.423 2.086 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266346045 329213578 /nfs/dbraw/zinc/21/35/78/329213578.db2.gz WDHGZZZMRSHPBT-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000266933262 329274320 /nfs/dbraw/zinc/27/43/20/329274320.db2.gz PIAPVTOODXONMZ-HNNXBMFYSA-N 1 0 362.382 2.181 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000267097735 329291659 /nfs/dbraw/zinc/29/16/59/329291659.db2.gz JXGCTZAQMWIINQ-QGZVFWFLSA-N 1 0 362.455 2.103 20 5 FEBDRO Nc1c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000267333183 329315916 /nfs/dbraw/zinc/31/59/16/329315916.db2.gz QWBIUMYRDQZLQY-MRXNPFEDSA-N 1 0 368.437 2.471 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267479890 329331797 /nfs/dbraw/zinc/33/17/97/329331797.db2.gz UYFCITZMXVVAKW-CJNGLKHVSA-N 1 0 371.441 2.277 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000268007369 329375989 /nfs/dbraw/zinc/37/59/89/329375989.db2.gz ZQTHQNXTHPSDFW-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268193896 329395295 /nfs/dbraw/zinc/39/52/95/329395295.db2.gz WYFCSURSHCIFRF-UHFFFAOYSA-N 1 0 369.393 2.430 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)c1[N+](=O)[O-] ZINC000268624749 329440222 /nfs/dbraw/zinc/44/02/22/329440222.db2.gz CLDNNFYFSWPABA-UHFFFAOYSA-N 1 0 373.413 2.083 20 5 FEBDRO Cc1c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000269185680 329494636 /nfs/dbraw/zinc/49/46/36/329494636.db2.gz LBTUFDMFIAWQNR-SJORKVTESA-N 1 0 362.430 2.403 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271723532 329719245 /nfs/dbraw/zinc/71/92/45/329719245.db2.gz RWVDVYBUWIKRAQ-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271723529 329719337 /nfs/dbraw/zinc/71/93/37/329719337.db2.gz RWVDVYBUWIKRAQ-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO COc1cc(OCC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000272149097 329755828 /nfs/dbraw/zinc/75/58/28/329755828.db2.gz FUIPIXZZRRDMDC-CYBMUJFWSA-N 1 0 365.430 2.171 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272449668 329782193 /nfs/dbraw/zinc/78/21/93/329782193.db2.gz PKRGQSUXGUHYEZ-GXFFZTMASA-N 1 0 360.357 2.498 20 5 FEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000273060861 329833635 /nfs/dbraw/zinc/83/36/35/329833635.db2.gz SQXJDXHYRNLQNO-KFWWJZLASA-N 1 0 360.458 2.416 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC000273490035 329868936 /nfs/dbraw/zinc/86/89/36/329868936.db2.gz WOCQNTZHLNXKJC-XHSDSOJGSA-N 1 0 368.455 2.162 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000273517436 329871047 /nfs/dbraw/zinc/87/10/47/329871047.db2.gz NGLBTYYEZGUGMA-AWEZNQCLSA-N 1 0 369.487 2.129 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000273908765 329901662 /nfs/dbraw/zinc/90/16/62/329901662.db2.gz AHKXKSWDNJBFEU-OLZOCXBDSA-N 1 0 351.403 2.409 20 5 FEBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1NC(=O)CC[NH+](C)C ZINC000274476980 329952967 /nfs/dbraw/zinc/95/29/67/329952967.db2.gz ZKSCLEFORQCCEQ-UHFFFAOYSA-N 1 0 359.386 2.374 20 5 FEBDRO CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275116851 330012234 /nfs/dbraw/zinc/01/22/34/330012234.db2.gz MJGUIPSDMXJXAB-HOCLYGCPSA-N 1 0 365.455 2.012 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000275155092 330016224 /nfs/dbraw/zinc/01/62/24/330016224.db2.gz VDNIVZONEPTNCK-ZIAGYGMSSA-N 1 0 360.357 2.496 20 5 FEBDRO Cc1[nH]nc(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275746187 330084356 /nfs/dbraw/zinc/08/43/56/330084356.db2.gz UGIPGSFXZOVCHE-LBPRGKRZSA-N 1 0 358.402 2.097 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367031221 330209133 /nfs/dbraw/zinc/20/91/33/330209133.db2.gz UNHHDUWUDRTBKR-YOEHRIQHSA-N 1 0 374.441 2.222 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217310 330231467 /nfs/dbraw/zinc/23/14/67/330231467.db2.gz LVXWBBMKWJGRME-JLSDUUJJSA-N 1 0 358.442 2.259 20 5 FEBDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158578 330273907 /nfs/dbraw/zinc/27/39/07/330273907.db2.gz KAONZHUYWIONEC-SKDRFNHKSA-N 1 0 372.219 2.310 20 5 FEBDRO COCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187589 330275665 /nfs/dbraw/zinc/27/56/65/330275665.db2.gz OLVLOJIKOHYVDA-HUUCEWRRSA-N 1 0 370.471 2.179 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000153814835 517661184 /nfs/dbraw/zinc/66/11/84/517661184.db2.gz QNDHQPIOUSTMJX-INIZCTEOSA-N 1 0 361.446 2.147 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157130018 545703658 /nfs/dbraw/zinc/70/36/58/545703658.db2.gz NLLQNAVSYUPBRH-RDTXWAMCSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1ccc(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000158292538 545845239 /nfs/dbraw/zinc/84/52/39/545845239.db2.gz FXKSTFZVZLUBFF-UHFFFAOYSA-N 1 0 369.468 2.375 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000158557339 545872274 /nfs/dbraw/zinc/87/22/74/545872274.db2.gz USCCSKYZWXIMIW-LLVKDONJSA-N 1 0 359.473 2.294 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000159233402 545934711 /nfs/dbraw/zinc/93/47/11/545934711.db2.gz TXFAUFWFWYKEKN-QGZVFWFLSA-N 1 0 369.421 2.052 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159803617 545981763 /nfs/dbraw/zinc/98/17/63/545981763.db2.gz PDGXVIRWSPBNAK-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000161343710 546120936 /nfs/dbraw/zinc/12/09/36/546120936.db2.gz PSWKULZINIHVCJ-SJORKVTESA-N 1 0 371.441 2.456 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176403537 546441370 /nfs/dbraw/zinc/44/13/70/546441370.db2.gz ZNOPSOLWPNGGKX-UHFFFAOYSA-N 1 0 358.402 2.283 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000176484357 546452849 /nfs/dbraw/zinc/45/28/49/546452849.db2.gz ITYGXUMIUVXINQ-HNNXBMFYSA-N 1 0 368.865 2.250 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000480393176 561208450 /nfs/dbraw/zinc/20/84/50/561208450.db2.gz IISXUVCXOSUOQS-UHFFFAOYSA-N 1 0 357.414 2.457 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000176622300 546468514 /nfs/dbraw/zinc/46/85/14/546468514.db2.gz GSPUIIVZJRBPIF-UHFFFAOYSA-N 1 0 369.425 2.275 20 5 FEBDRO COc1cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000480785088 561216772 /nfs/dbraw/zinc/21/67/72/561216772.db2.gz FYNBOYRGDFAGEQ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000480949958 561221059 /nfs/dbraw/zinc/22/10/59/561221059.db2.gz HGBVLPFSVWDEDD-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000481011561 561222852 /nfs/dbraw/zinc/22/28/52/561222852.db2.gz JCCHSJXSTZCSLI-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481066311 561224378 /nfs/dbraw/zinc/22/43/78/561224378.db2.gz BBMQEHDXTNRJKI-UHFFFAOYSA-N 1 0 354.370 2.201 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])C1 ZINC000178179517 546753083 /nfs/dbraw/zinc/75/30/83/546753083.db2.gz IUAXDBSVBLFEPB-OAHLLOKOSA-N 1 0 374.441 2.023 20 5 FEBDRO Cc1c(Br)cc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000178682115 546831738 /nfs/dbraw/zinc/83/17/38/546831738.db2.gz XAJQUWORGKPOHJ-UHFFFAOYSA-N 1 0 356.220 2.491 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481779666 561241964 /nfs/dbraw/zinc/24/19/64/561241964.db2.gz MUNUEIKULFGBSS-ZIAGYGMSSA-N 1 0 371.441 2.215 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccccc1 ZINC000180199393 547066330 /nfs/dbraw/zinc/06/63/30/547066330.db2.gz OIEPXMZXWMXQOR-YOEHRIQHSA-N 1 0 358.373 2.491 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180436927 547107775 /nfs/dbraw/zinc/10/77/75/547107775.db2.gz JZPPLKDASXPMMD-NSHDSACASA-N 1 0 362.411 2.333 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000483407318 561276300 /nfs/dbraw/zinc/27/63/00/561276300.db2.gz MXVHAGDZXWNZLV-GJZGRUSLSA-N 1 0 353.419 2.386 20 5 FEBDRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000181665117 547355219 /nfs/dbraw/zinc/35/52/19/547355219.db2.gz FSKSQEQPWZSNLI-UHFFFAOYSA-N 1 0 366.393 2.005 20 5 FEBDRO NC(=O)C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000181940885 547409995 /nfs/dbraw/zinc/40/99/95/547409995.db2.gz FBMXHVVOECNFRW-INIZCTEOSA-N 1 0 374.397 2.010 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000182073111 547432180 /nfs/dbraw/zinc/43/21/80/547432180.db2.gz HKJXMNKVFQZDED-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229888 547456934 /nfs/dbraw/zinc/45/69/34/547456934.db2.gz ZAWBHXKGGXVMKS-DZGCQCFKSA-N 1 0 360.414 2.077 20 5 FEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000182382787 547481662 /nfs/dbraw/zinc/48/16/62/547481662.db2.gz AZCRCCRGLNDHJU-RBOXIYTFSA-N 1 0 351.403 2.478 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182429411 547491330 /nfs/dbraw/zinc/49/13/30/547491330.db2.gz QWPIXGVQNSCUTR-CJNGLKHVSA-N 1 0 362.430 2.229 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000484294007 561295760 /nfs/dbraw/zinc/29/57/60/561295760.db2.gz IIHVSPICGDFCLN-HNNXBMFYSA-N 1 0 350.419 2.277 20 5 FEBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(OCC[NH+](C)C)c1 ZINC000183580712 547684116 /nfs/dbraw/zinc/68/41/16/547684116.db2.gz MUZRIPMSOVFBGB-UHFFFAOYSA-N 1 0 359.386 2.073 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183717015 547706238 /nfs/dbraw/zinc/70/62/38/547706238.db2.gz JCXXHEBZPWJTNY-OAHLLOKOSA-N 1 0 365.430 2.463 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484615638 561301267 /nfs/dbraw/zinc/30/12/67/561301267.db2.gz FFNMYPPKKSEXRF-GOEBONIOSA-N 1 0 351.403 2.015 20 5 FEBDRO CC[N@H+](CCO)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000184538036 547842431 /nfs/dbraw/zinc/84/24/31/547842431.db2.gz FHBCNCHZUDJREJ-UHFFFAOYSA-N 1 0 350.444 2.122 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@@H]12 ZINC000184965698 547908066 /nfs/dbraw/zinc/90/80/66/547908066.db2.gz QWIVNUPZWDXWJJ-ZTFGCOKTSA-N 1 0 361.445 2.350 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000185094456 547931942 /nfs/dbraw/zinc/93/19/42/547931942.db2.gz GJFOYBSPNANPMU-XTWCZFFVSA-N 1 0 354.204 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)[C@H](C(C)C)C2)c1 ZINC000486630058 561352911 /nfs/dbraw/zinc/35/29/11/561352911.db2.gz UBPSSPIEVDBIEJ-HNNXBMFYSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000194662459 548513344 /nfs/dbraw/zinc/51/33/44/548513344.db2.gz DGDUGDDJMVIEFF-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCCC[NH+]2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486876733 561358828 /nfs/dbraw/zinc/35/88/28/561358828.db2.gz ZYEZDXZOYVEOMI-UHFFFAOYSA-N 1 0 364.402 2.297 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000195263292 548606375 /nfs/dbraw/zinc/60/63/75/548606375.db2.gz GJBODWDRGRWWGT-MDBPOYHNSA-N 1 0 372.469 2.369 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCC[NH2+]C1 ZINC000236567847 548767438 /nfs/dbraw/zinc/76/74/38/548767438.db2.gz FAAVIGCIYNBDML-SNVBAGLBSA-N 1 0 356.220 2.016 20 5 FEBDRO CCCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC[NH2+]CC1 ZINC000236860780 548784376 /nfs/dbraw/zinc/78/43/76/548784376.db2.gz TXAYAZWNKYEEGY-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000236891341 548787356 /nfs/dbraw/zinc/78/73/56/548787356.db2.gz AMEBSDOFXZANNR-GFCCVEGCSA-N 1 0 351.403 2.122 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000237322473 548817361 /nfs/dbraw/zinc/81/73/61/548817361.db2.gz NVUPHQDZJJITKQ-UHFFFAOYSA-N 1 0 371.459 2.194 20 5 FEBDRO Cn1cc(C[NH2+]CCNC(=O)C(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237784152 548853083 /nfs/dbraw/zinc/85/30/83/548853083.db2.gz BCWBXGWSJISJLM-UHFFFAOYSA-N 1 0 359.430 2.247 20 5 FEBDRO Cc1ccc(-n2cnc3c2CCN(CCn2cc([N+](=O)[O-])cn2)C3)cc1 ZINC000487982010 561380574 /nfs/dbraw/zinc/38/05/74/561380574.db2.gz PRWJISOIIKOLOJ-UHFFFAOYSA-N 1 0 352.398 2.344 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095696 561383391 /nfs/dbraw/zinc/38/33/91/561383391.db2.gz RSQVTSVLPJXBIN-CXAGYDPISA-N 1 0 364.446 2.202 20 5 FEBDRO O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000246212701 549079496 /nfs/dbraw/zinc/07/94/96/549079496.db2.gz CORHVHJEAADZCN-QZTJIDSGSA-N 1 0 355.394 2.191 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246520459 549151860 /nfs/dbraw/zinc/15/18/60/549151860.db2.gz KSVRFLVIDRCWRI-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO CC(C)CN1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488733495 561395553 /nfs/dbraw/zinc/39/55/53/561395553.db2.gz JTRXIMXWZYGLPT-OAHLLOKOSA-N 1 0 362.430 2.051 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000246952609 549250148 /nfs/dbraw/zinc/25/01/48/549250148.db2.gz IBWGYLOABXOEAL-UONOGXRCSA-N 1 0 350.419 2.212 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247734452 549375331 /nfs/dbraw/zinc/37/53/31/549375331.db2.gz VIWQKCSLKQQOKZ-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)nc1 ZINC000248568700 549459793 /nfs/dbraw/zinc/45/97/93/549459793.db2.gz LNWSSGLSTMUDCD-AEFFLSMTSA-N 1 0 356.426 2.470 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249210130 549569919 /nfs/dbraw/zinc/56/99/19/549569919.db2.gz SKDOLHNTFJSKBI-SWLSCSKDSA-N 1 0 362.430 2.030 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000249259690 549573205 /nfs/dbraw/zinc/57/32/05/549573205.db2.gz YWMRNZBJVUMNFA-CABCVRRESA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261720032 549746969 /nfs/dbraw/zinc/74/69/69/549746969.db2.gz QPFMYYJVSJYFMJ-CQSZACIVSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261768767 549753478 /nfs/dbraw/zinc/75/34/78/549753478.db2.gz WQRYOWFAHDAJDM-CQSZACIVSA-N 1 0 353.444 2.056 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261838273 549761679 /nfs/dbraw/zinc/76/16/79/549761679.db2.gz LLZSGYYWLCGNRU-XRMLZUONSA-N 1 0 361.398 2.002 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262056869 549784693 /nfs/dbraw/zinc/78/46/93/549784693.db2.gz NJEYSYJSHUYRBW-UHFFFAOYSA-N 1 0 371.441 2.457 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000263652047 549913821 /nfs/dbraw/zinc/91/38/21/549913821.db2.gz HHDOVVFUISAFDN-QGZVFWFLSA-N 1 0 371.441 2.189 20 5 FEBDRO CCN(CC)C(=O)CN1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491113701 561443009 /nfs/dbraw/zinc/44/30/09/561443009.db2.gz MKYXSWPWUNPXAG-UHFFFAOYSA-N 1 0 366.437 2.110 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000491137047 561443364 /nfs/dbraw/zinc/44/33/64/561443364.db2.gz NEDLZAMVUBTPRW-HNNXBMFYSA-N 1 0 356.426 2.334 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000268515694 550080407 /nfs/dbraw/zinc/08/04/07/550080407.db2.gz YTUJHVVWHYUFRD-UHFFFAOYSA-N 1 0 363.414 2.195 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907530 550130091 /nfs/dbraw/zinc/13/00/91/550130091.db2.gz LSCNLTLPQBGXHE-GJZGRUSLSA-N 1 0 362.430 2.229 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147485 550160796 /nfs/dbraw/zinc/16/07/96/550160796.db2.gz QBLHMMYQYJMXBQ-DGCLKSJQSA-N 1 0 373.862 2.353 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271174208 550348351 /nfs/dbraw/zinc/34/83/51/550348351.db2.gz GGLYPAACOWRNTN-ZDUSSCGKSA-N 1 0 354.403 2.097 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)CC1 ZINC000272437496 550448699 /nfs/dbraw/zinc/44/86/99/550448699.db2.gz OWQILODIWPRCRK-CYBMUJFWSA-N 1 0 361.398 2.127 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000272587997 550459247 /nfs/dbraw/zinc/45/92/47/550459247.db2.gz VZMFGOSDBSPEDF-NSHDSACASA-N 1 0 370.456 2.019 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273402787 550497403 /nfs/dbraw/zinc/49/74/03/550497403.db2.gz PGZLXYINFZJWFB-FMKPAKJESA-N 1 0 352.431 2.063 20 5 FEBDRO CCOC(=O)CC[N@@H+](Cc1cccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274146576 550525133 /nfs/dbraw/zinc/52/51/33/550525133.db2.gz HTDDKORWWLFUGF-SFHVURJKSA-N 1 0 373.409 2.479 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000274211457 550527990 /nfs/dbraw/zinc/52/79/90/550527990.db2.gz AWGQOUJDRQYORS-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494644070 561473175 /nfs/dbraw/zinc/47/31/75/561473175.db2.gz YBNGWIIALDREGZ-CQSZACIVSA-N 1 0 361.423 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000277151686 550637571 /nfs/dbraw/zinc/63/75/71/550637571.db2.gz WGFNXOCFRFYCQA-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000277311070 550655020 /nfs/dbraw/zinc/65/50/20/550655020.db2.gz PZTRTRHFNLJETH-DYVFJYSZSA-N 1 0 360.414 2.031 20 5 FEBDRO C[N@H+](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000278132573 550752910 /nfs/dbraw/zinc/75/29/10/550752910.db2.gz MZGDTPNJGBPQTP-UHFFFAOYSA-N 1 0 360.418 2.145 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000278365949 550777444 /nfs/dbraw/zinc/77/74/44/550777444.db2.gz BNVBNDAPRGMQCJ-CYBMUJFWSA-N 1 0 360.414 2.421 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000278448639 550787359 /nfs/dbraw/zinc/78/73/59/550787359.db2.gz AEDYCAQBTCWXIJ-CYBMUJFWSA-N 1 0 372.425 2.401 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000278564705 550799560 /nfs/dbraw/zinc/79/95/60/550799560.db2.gz WWHBUQLTWWNGAM-UHFFFAOYSA-N 1 0 372.473 2.466 20 5 FEBDRO COc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000278575011 550800772 /nfs/dbraw/zinc/80/07/72/550800772.db2.gz SEWLJONUDCDAJF-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278596531 550802385 /nfs/dbraw/zinc/80/23/85/550802385.db2.gz UVWGNQFRDXTZMU-UHFFFAOYSA-N 1 0 362.386 2.416 20 5 FEBDRO O=C1C[C@@]2(CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CN1 ZINC000279395774 550885511 /nfs/dbraw/zinc/88/55/11/550885511.db2.gz KOLCWRVILFEDEN-KRWDZBQOSA-N 1 0 358.423 2.430 20 5 FEBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969354 550948265 /nfs/dbraw/zinc/94/82/65/550948265.db2.gz YUJKKLYQPZSVKY-QWQRMKEZSA-N 1 0 363.414 2.192 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cn1 ZINC000280289681 550977110 /nfs/dbraw/zinc/97/71/10/550977110.db2.gz FBOWPCWIFMIXBV-SNVBAGLBSA-N 1 0 367.203 2.265 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658500 551018626 /nfs/dbraw/zinc/01/86/26/551018626.db2.gz DSUJMWUPJQAXSG-GTNSWQLSSA-N 1 0 359.386 2.164 20 5 FEBDRO COc1cc(C(=O)NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000280997924 551053278 /nfs/dbraw/zinc/05/32/78/551053278.db2.gz CYTDLESUDOSJTG-UHFFFAOYSA-N 1 0 373.356 2.419 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cccc1[N+](=O)[O-] ZINC000281190025 551072222 /nfs/dbraw/zinc/07/22/22/551072222.db2.gz RGECSDNIHQPCTO-QWHCGFSZSA-N 1 0 357.414 2.112 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000281278890 551080473 /nfs/dbraw/zinc/08/04/73/551080473.db2.gz GLOLEJDWSVNONE-CYBMUJFWSA-N 1 0 355.439 2.320 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497579847 561504244 /nfs/dbraw/zinc/50/42/44/561504244.db2.gz UOOQUOVASIYYDZ-UHFFFAOYSA-N 1 0 369.406 2.377 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157288 551320663 /nfs/dbraw/zinc/32/06/63/551320663.db2.gz CTLRIEYBOSKLSG-OCCSQVGLSA-N 1 0 361.320 2.311 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497957986 561512369 /nfs/dbraw/zinc/51/23/69/561512369.db2.gz GGARNHZXIAUNIA-DZGCQCFKSA-N 1 0 370.409 2.336 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284324977 551524454 /nfs/dbraw/zinc/52/44/54/551524454.db2.gz PYKNKUTYEULVOS-ZWOKBUDYSA-N 1 0 371.437 2.370 20 5 FEBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000284593153 551585332 /nfs/dbraw/zinc/58/53/32/551585332.db2.gz ZTKZMLDGOYHZFS-INIZCTEOSA-N 1 0 373.409 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285208432 551721089 /nfs/dbraw/zinc/72/10/89/551721089.db2.gz DLEDUFCDVBYFJF-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453164 551759191 /nfs/dbraw/zinc/75/91/91/551759191.db2.gz GKGWOZRPKTWUKW-IBGZPJMESA-N 1 0 355.442 2.389 20 5 FEBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285518898 551768897 /nfs/dbraw/zinc/76/88/97/551768897.db2.gz OCFJWHWJXXHYJN-GRLYAWNKSA-N 1 0 367.471 2.306 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922076 561537975 /nfs/dbraw/zinc/53/79/75/561537975.db2.gz BFMNSIFFGZZSSZ-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000285667090 551792140 /nfs/dbraw/zinc/79/21/40/551792140.db2.gz ZLAQBQMDHIOQTE-GDBMZVCRSA-N 1 0 355.460 2.101 20 5 FEBDRO COC(=O)c1cnc(N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286551989 551899176 /nfs/dbraw/zinc/89/91/76/551899176.db2.gz OVPZLOVPMUOFJO-UHFFFAOYSA-N 1 0 362.386 2.328 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286815792 551928994 /nfs/dbraw/zinc/92/89/94/551928994.db2.gz USESZRMTCULLDL-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287203629 551975730 /nfs/dbraw/zinc/97/57/30/551975730.db2.gz OWBVMGPSCJCXHW-CZUORRHYSA-N 1 0 362.430 2.372 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394435 551998520 /nfs/dbraw/zinc/99/85/20/551998520.db2.gz YLPAMGUJVUOIHT-RDTXWAMCSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287752615 552042220 /nfs/dbraw/zinc/04/22/20/552042220.db2.gz TWFGQWZYWSIEOT-ILXRZTDVSA-N 1 0 364.446 2.061 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000287842644 552053578 /nfs/dbraw/zinc/05/35/78/552053578.db2.gz QRROVDYLOQGGNU-LBPRGKRZSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343671 552137152 /nfs/dbraw/zinc/13/71/52/552137152.db2.gz JYHYPHYAGVDPSI-OLZOCXBDSA-N 1 0 364.421 2.499 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000288823514 552219380 /nfs/dbraw/zinc/21/93/80/552219380.db2.gz IJERFZIRCGTCTO-DLBZAZTESA-N 1 0 373.457 2.415 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000289266373 552291987 /nfs/dbraw/zinc/29/19/87/552291987.db2.gz ARVCSMASIQJBQF-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000289317013 552300521 /nfs/dbraw/zinc/30/05/21/552300521.db2.gz UHYRTCPUSUIMEW-HAQNSBGRSA-N 1 0 351.403 2.107 20 5 FEBDRO CC[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289483183 552328437 /nfs/dbraw/zinc/32/84/37/552328437.db2.gz KFTHTRHMSOAMGR-JTQLQIEISA-N 1 0 350.156 2.060 20 5 FEBDRO [NH3+]CCN(Cc1ccccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000289787224 552378307 /nfs/dbraw/zinc/37/83/07/552378307.db2.gz LRKPNBACQXXLAC-UHFFFAOYSA-N 1 0 356.426 2.397 20 5 FEBDRO COc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000289999944 552412244 /nfs/dbraw/zinc/41/22/44/552412244.db2.gz IICIQXTUXNQELB-UHFFFAOYSA-N 1 0 373.356 2.371 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000290002755 552412452 /nfs/dbraw/zinc/41/24/52/552412452.db2.gz TXTRTFCQXRBGGH-VIFPVBQESA-N 1 0 362.167 2.326 20 5 FEBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290178451 552438940 /nfs/dbraw/zinc/43/89/40/552438940.db2.gz NNJSHMJACCAGEY-DARAHFNDSA-N 1 0 352.456 2.329 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500876868 561584833 /nfs/dbraw/zinc/58/48/33/561584833.db2.gz TYCWUQCCHIUFAI-HNNXBMFYSA-N 1 0 362.474 2.015 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291911100 552674059 /nfs/dbraw/zinc/67/40/59/552674059.db2.gz QQMIYHLMSLOEAK-ZFWWWQNUSA-N 1 0 357.414 2.030 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292123086 552695981 /nfs/dbraw/zinc/69/59/81/552695981.db2.gz KJXCRKQLHXCEGS-MRXNPFEDSA-N 1 0 352.822 2.214 20 5 FEBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292354794 552719100 /nfs/dbraw/zinc/71/91/00/552719100.db2.gz PZGFDWVLFJNNDK-WBVHZDCISA-N 1 0 363.458 2.141 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292655161 552746692 /nfs/dbraw/zinc/74/66/92/552746692.db2.gz LGZWYIQWFKPGAM-CYBMUJFWSA-N 1 0 351.403 2.023 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292916083 552770820 /nfs/dbraw/zinc/77/08/20/552770820.db2.gz XNKQIGOKSWGYIZ-MRXNPFEDSA-N 1 0 353.444 2.010 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293304440 552809685 /nfs/dbraw/zinc/80/96/85/552809685.db2.gz WPWGHBYTGDMWOX-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293568155 552836181 /nfs/dbraw/zinc/83/61/81/552836181.db2.gz XWFSVQJSNIVKHP-ZANVPECISA-N 1 0 354.204 2.181 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590300 552838371 /nfs/dbraw/zinc/83/83/71/552838371.db2.gz CRQOIUKNSBBDBT-UONOGXRCSA-N 1 0 364.446 2.454 20 5 FEBDRO C[C@H]1[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293973748 552872206 /nfs/dbraw/zinc/87/22/06/552872206.db2.gz QVBFGPMSTRVJEV-XRGAULLZSA-N 1 0 352.456 2.471 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294313151 552896038 /nfs/dbraw/zinc/89/60/38/552896038.db2.gz WLJAFVZHPPQXMS-GOSISDBHSA-N 1 0 364.421 2.358 20 5 FEBDRO CCn1ccnc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295275395 552980197 /nfs/dbraw/zinc/98/01/97/552980197.db2.gz FHWCCCHYCOIVCZ-UHFFFAOYSA-N 1 0 358.807 2.252 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295639670 553038164 /nfs/dbraw/zinc/03/81/64/553038164.db2.gz ZZLPLZVALLOZCU-ZDUSSCGKSA-N 1 0 363.439 2.386 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](C)CO ZINC000295789986 553059327 /nfs/dbraw/zinc/05/93/27/553059327.db2.gz RMGPEUFDEXGFOM-GHMZBOCLSA-N 1 0 364.427 2.263 20 5 FEBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502281616 561615578 /nfs/dbraw/zinc/61/55/78/561615578.db2.gz LIFVZXRJQSSLKH-WQVCFCJDSA-N 1 0 353.444 2.041 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296219445 553124648 /nfs/dbraw/zinc/12/46/48/553124648.db2.gz KCBXNBYIHFMDNY-HNNXBMFYSA-N 1 0 351.790 2.075 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277677 553133812 /nfs/dbraw/zinc/13/38/12/553133812.db2.gz OREPDJXOGMJOFJ-QGTPRVQTSA-N 1 0 357.410 2.031 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000296633664 553190630 /nfs/dbraw/zinc/19/06/30/553190630.db2.gz NURJAIFWENQHBE-UHFFFAOYSA-N 1 0 351.451 2.217 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000296733051 553204369 /nfs/dbraw/zinc/20/43/69/553204369.db2.gz MSTAJLKYXPLZKQ-QWHCGFSZSA-N 1 0 368.409 2.351 20 5 FEBDRO CC(C)(CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[N+](=O)[O-] ZINC000296897645 553226683 /nfs/dbraw/zinc/22/66/83/553226683.db2.gz VRPMJSTXZVATNA-KRWDZBQOSA-N 1 0 363.458 2.229 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@@H](C)C1 ZINC000296966515 553236296 /nfs/dbraw/zinc/23/62/96/553236296.db2.gz CXHDBRYBAIPJQA-GXTWGEPZSA-N 1 0 355.460 2.165 20 5 FEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000297310741 553276798 /nfs/dbraw/zinc/27/67/98/553276798.db2.gz FVINEHLNCYPFDT-GMSGAONNSA-N 1 0 360.183 2.448 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)C1CCCC1 ZINC000298103953 553384390 /nfs/dbraw/zinc/38/43/90/553384390.db2.gz JBAOHYCGDOFFMR-HNNXBMFYSA-N 1 0 351.403 2.073 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000298160613 553391965 /nfs/dbraw/zinc/39/19/65/553391965.db2.gz QCOMQUNZPLVPJM-UHFFFAOYSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000298439136 553424806 /nfs/dbraw/zinc/42/48/06/553424806.db2.gz SPXNLFAQEDHIDT-GFCCVEGCSA-N 1 0 360.418 2.097 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000503531269 561644023 /nfs/dbraw/zinc/64/40/23/561644023.db2.gz VXWXYGSUCIMQBP-MGPQQGTHSA-N 1 0 355.341 2.450 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccsc1 ZINC000298772379 553471007 /nfs/dbraw/zinc/47/10/07/553471007.db2.gz FTXIYFHHVRLAQP-CQSZACIVSA-N 1 0 370.456 2.019 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000298892249 553485823 /nfs/dbraw/zinc/48/58/23/553485823.db2.gz LKCRGVINPZLAQI-ROUUACIJSA-N 1 0 363.414 2.479 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299197273 553529230 /nfs/dbraw/zinc/52/92/30/553529230.db2.gz FHYHOFUSNHXTTB-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255057 553537445 /nfs/dbraw/zinc/53/74/45/553537445.db2.gz JXGNTAAUKYMKQG-UGSOOPFHSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000299379974 553555587 /nfs/dbraw/zinc/55/55/87/553555587.db2.gz SOYQZBIFBVRUEJ-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299397953 553557719 /nfs/dbraw/zinc/55/77/19/553557719.db2.gz DGEVFSNNTVHVII-KRWDZBQOSA-N 1 0 371.441 2.443 20 5 FEBDRO C[C@@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000299734489 553609785 /nfs/dbraw/zinc/60/97/85/553609785.db2.gz ZPWNGSMDCGZWIZ-SECBINFHSA-N 1 0 362.308 2.024 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000301102141 553622444 /nfs/dbraw/zinc/62/24/44/553622444.db2.gz QIQQGRCJGVMADX-INIZCTEOSA-N 1 0 355.398 2.338 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149522 553625886 /nfs/dbraw/zinc/62/58/86/553625886.db2.gz LZIUNLXQRBEVLE-OAHLLOKOSA-N 1 0 369.425 2.234 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277137 553638426 /nfs/dbraw/zinc/63/84/26/553638426.db2.gz ZEILLNJCAAPZDG-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840041 553684649 /nfs/dbraw/zinc/68/46/49/553684649.db2.gz ADNKTMMFELIWFK-UONOGXRCSA-N 1 0 373.438 2.351 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840039 553684857 /nfs/dbraw/zinc/68/48/57/553684857.db2.gz ADNKTMMFELIWFK-KBPBESRZSA-N 1 0 373.438 2.351 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000301845719 553685222 /nfs/dbraw/zinc/68/52/22/553685222.db2.gz MHDLSROSWKCYAG-JJTKIYQPSA-N 1 0 374.485 2.488 20 5 FEBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302021751 553698248 /nfs/dbraw/zinc/69/82/48/553698248.db2.gz OHGKLTZROZQUJE-HNNXBMFYSA-N 1 0 356.430 2.458 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302156347 553707202 /nfs/dbraw/zinc/70/72/02/553707202.db2.gz WFNOIDGUYIYTBI-CYBMUJFWSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1nc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302482548 553718494 /nfs/dbraw/zinc/71/84/94/553718494.db2.gz WWPVPPQDFUGHBO-IBGZPJMESA-N 1 0 356.426 2.371 20 5 FEBDRO COC(=O)c1cnc(N2CC[NH+](C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000302753302 553730971 /nfs/dbraw/zinc/73/09/71/553730971.db2.gz HVMQHVAGYVQYBU-UHFFFAOYSA-N 1 0 362.430 2.477 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324215864 553771375 /nfs/dbraw/zinc/77/13/75/553771375.db2.gz QMIYRAVMFJXDBF-KGLIPLIRSA-N 1 0 353.444 2.056 20 5 FEBDRO Cn1c2ccc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2oc1=O ZINC000506943162 561712080 /nfs/dbraw/zinc/71/20/80/561712080.db2.gz NCJPFDGBNWILLY-UHFFFAOYSA-N 1 0 368.393 2.362 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000507291916 561723856 /nfs/dbraw/zinc/72/38/56/561723856.db2.gz OZAHACPAXXHAJU-MRXNPFEDSA-N 1 0 355.460 2.139 20 5 FEBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507891393 561744898 /nfs/dbraw/zinc/74/48/98/561744898.db2.gz SMKWFFAKLMWLER-ZIAGYGMSSA-N 1 0 355.460 2.289 20 5 FEBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330617297 554146614 /nfs/dbraw/zinc/14/66/14/554146614.db2.gz WWZIQKPRPVHBRN-STQMWFEESA-N 1 0 361.851 2.198 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000508401094 561761125 /nfs/dbraw/zinc/76/11/25/561761125.db2.gz KUCQVDHUCOQMLE-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000331323772 554247073 /nfs/dbraw/zinc/24/70/73/554247073.db2.gz MPMLOSKBMIMAFF-ZYHUDNBSSA-N 1 0 370.247 2.499 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000331941910 554349579 /nfs/dbraw/zinc/34/95/79/554349579.db2.gz OEVHKUDRNKYIHT-CHWSQXEVSA-N 1 0 357.414 2.160 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954551 554351912 /nfs/dbraw/zinc/35/19/12/554351912.db2.gz TUTFEBGKHFKLGG-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000332080177 554375684 /nfs/dbraw/zinc/37/56/84/554375684.db2.gz JIOGUEBGUBQVKU-LSDHHAIUSA-N 1 0 353.419 2.386 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332186602 554396819 /nfs/dbraw/zinc/39/68/19/554396819.db2.gz VXEOXMMFZDHIPJ-CYBMUJFWSA-N 1 0 363.414 2.074 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000332316748 554423701 /nfs/dbraw/zinc/42/37/01/554423701.db2.gz YRBWYCZAVOSLRG-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000332423142 554443763 /nfs/dbraw/zinc/44/37/63/554443763.db2.gz SDNODFRUDKYFSB-CTASWTNQSA-N 1 0 360.458 2.496 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589458 554477625 /nfs/dbraw/zinc/47/76/25/554477625.db2.gz MSORCXGCRCYEBT-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510679779 561843177 /nfs/dbraw/zinc/84/31/77/561843177.db2.gz GYPARZFMTZWTIS-CVEARBPZSA-N 1 0 353.444 2.041 20 5 FEBDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342982 554781343 /nfs/dbraw/zinc/78/13/43/554781343.db2.gz UTBXFMXOQBBTNG-DYVFJYSZSA-N 1 0 374.353 2.299 20 5 FEBDRO C[C@H]1C[C@@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1C ZINC000351212321 554843937 /nfs/dbraw/zinc/84/39/37/554843937.db2.gz IYAGKJNXDBZOSX-JSGCOSHPSA-N 1 0 373.413 2.034 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000359896947 554856091 /nfs/dbraw/zinc/85/60/91/554856091.db2.gz KADATSQHXWRQRC-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000362930727 555000429 /nfs/dbraw/zinc/00/04/29/555000429.db2.gz FVFUYUFIGMSJMM-WBMJQRKESA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363069046 555023144 /nfs/dbraw/zinc/02/31/44/555023144.db2.gz XVUHPOSHXHZIQI-KRWDZBQOSA-N 1 0 369.425 2.481 20 5 FEBDRO CCOc1ccccc1C1=CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363273689 555069157 /nfs/dbraw/zinc/06/91/57/555069157.db2.gz STCDHYCMJJJWSH-KRWDZBQOSA-N 1 0 372.425 2.340 20 5 FEBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414028 555099704 /nfs/dbraw/zinc/09/97/04/555099704.db2.gz JGVNAQGTPCEILX-NXHRZFHOSA-N 1 0 359.426 2.377 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000363489219 555119227 /nfs/dbraw/zinc/11/92/27/555119227.db2.gz SRYVRLWZZRXNKO-JSGCOSHPSA-N 1 0 363.414 2.216 20 5 FEBDRO CN(C(=O)CN1CCCC[C@@H]1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363675751 555161665 /nfs/dbraw/zinc/16/16/65/555161665.db2.gz BVKKWPHJBIOKEQ-QGZVFWFLSA-N 1 0 374.441 2.035 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364185950 555265566 /nfs/dbraw/zinc/26/55/66/555265566.db2.gz WMJQIRJUSAWZMJ-HUUCEWRRSA-N 1 0 373.862 2.449 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccccc3N3CCOCC3)C2)c1 ZINC000364328629 555292533 /nfs/dbraw/zinc/29/25/33/555292533.db2.gz OFHOJAWKHKAXCO-QGZVFWFLSA-N 1 0 371.441 2.465 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556830 555337644 /nfs/dbraw/zinc/33/76/44/555337644.db2.gz KQFYUJUJCZEKQU-XNRPHZJLSA-N 1 0 365.405 2.353 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364573336 555342776 /nfs/dbraw/zinc/34/27/76/555342776.db2.gz XUXUUOIIEOYGQO-BBRMVZONSA-N 1 0 372.429 2.088 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187255 555505578 /nfs/dbraw/zinc/50/55/78/555505578.db2.gz RGOINJBKBULRAH-RYUDHWBXSA-N 1 0 354.794 2.233 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365356883 555552437 /nfs/dbraw/zinc/55/24/37/555552437.db2.gz MHCDXZFFPJBENZ-YJBOKZPZSA-N 1 0 361.445 2.365 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@H]2[C@H]1c1ccccc1 ZINC000365629526 555627074 /nfs/dbraw/zinc/62/70/74/555627074.db2.gz MYEYRENIWPRXBH-BFYDXBDKSA-N 1 0 368.393 2.070 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366571782 555878843 /nfs/dbraw/zinc/87/88/43/555878843.db2.gz RHHIQSVCCXGWLX-KBPBESRZSA-N 1 0 365.455 2.047 20 5 FEBDRO CSc1ccc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000366677477 555906358 /nfs/dbraw/zinc/90/63/58/555906358.db2.gz KQMKAIGVMLXYHU-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC000366734421 555920868 /nfs/dbraw/zinc/92/08/68/555920868.db2.gz CNWTYUBMHNNREP-QGZVFWFLSA-N 1 0 359.382 2.116 20 5 FEBDRO Nc1nccc([C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000366983770 555989288 /nfs/dbraw/zinc/98/92/88/555989288.db2.gz SOCLGYSTLZGRHJ-NSHDSACASA-N 1 0 354.370 2.488 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367270837 556004648 /nfs/dbraw/zinc/00/46/48/556004648.db2.gz MKLGQYJKINTUMG-CQSZACIVSA-N 1 0 363.414 2.355 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446418 556051400 /nfs/dbraw/zinc/05/14/00/556051400.db2.gz DVXWYRRUEWYDSM-HZPDHXFCSA-N 1 0 364.402 2.236 20 5 FEBDRO CC(C)[NH2+]CC(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000514877626 561984609 /nfs/dbraw/zinc/98/46/09/561984609.db2.gz XVXXSRALVKMTEU-AWEZNQCLSA-N 1 0 351.403 2.092 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830695 556149321 /nfs/dbraw/zinc/14/93/21/556149321.db2.gz IHWDFFPQHLRFEN-DOTOQJQBSA-N 1 0 363.458 2.283 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc([N+](=O)[O-])cc4C)C[C@H]3C2)no1 ZINC000368212342 556250378 /nfs/dbraw/zinc/25/03/78/556250378.db2.gz MUDPLABBTFRVLA-HOTGVXAUSA-N 1 0 371.441 2.412 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000515257067 562002504 /nfs/dbraw/zinc/00/25/04/562002504.db2.gz QQRKTZCBOSWNFK-AWEZNQCLSA-N 1 0 357.476 2.177 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368430107 556306158 /nfs/dbraw/zinc/30/61/58/556306158.db2.gz SYUGLTWXYGFIRC-DOMZBBRYSA-N 1 0 351.378 2.103 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000515431081 562010518 /nfs/dbraw/zinc/01/05/18/562010518.db2.gz SVLDKERPKLDCLU-CYBMUJFWSA-N 1 0 353.444 2.056 20 5 FEBDRO CN(C)c1noc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000368746972 556404633 /nfs/dbraw/zinc/40/46/33/556404633.db2.gz VNWLMYDKOQFXLD-UHFFFAOYSA-N 1 0 361.402 2.302 20 5 FEBDRO O=C(C[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1)N1CCCC1 ZINC000368916454 556447657 /nfs/dbraw/zinc/44/76/57/556447657.db2.gz ZDWLARWYJNXBSI-UHFFFAOYSA-N 1 0 373.457 2.062 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000368966047 556461736 /nfs/dbraw/zinc/46/17/36/556461736.db2.gz NFRZPEJKQDUBNI-AWEZNQCLSA-N 1 0 360.414 2.138 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369069120 556496549 /nfs/dbraw/zinc/49/65/49/556496549.db2.gz YNUGSHBSLORNTA-HNNXBMFYSA-N 1 0 374.441 2.222 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000369358663 556578861 /nfs/dbraw/zinc/57/88/61/556578861.db2.gz MTQAHQPKPQNYDJ-SFHVURJKSA-N 1 0 362.474 2.076 20 5 FEBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369671691 556664866 /nfs/dbraw/zinc/66/48/66/556664866.db2.gz VKWCZIJZNIEADG-KRWDZBQOSA-N 1 0 374.441 2.485 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000516354950 562040693 /nfs/dbraw/zinc/04/06/93/562040693.db2.gz CONQRLNZDGTYDX-DOMZBBRYSA-N 1 0 351.451 2.129 20 5 FEBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369785370 556694527 /nfs/dbraw/zinc/69/45/27/556694527.db2.gz XGPTUPJYCGOLIT-OAHLLOKOSA-N 1 0 372.429 2.296 20 5 FEBDRO CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000516418736 562042323 /nfs/dbraw/zinc/04/23/23/562042323.db2.gz YUZNMBFQIRRQAU-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928980 556733247 /nfs/dbraw/zinc/73/32/47/556733247.db2.gz GBAQPGZPIWEXGJ-GOEBONIOSA-N 1 0 369.425 2.444 20 5 FEBDRO CCc1ccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000369939333 556736086 /nfs/dbraw/zinc/73/60/86/556736086.db2.gz ZHKZTRZMMURFFY-SJORKVTESA-N 1 0 361.442 2.388 20 5 FEBDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369996611 556752376 /nfs/dbraw/zinc/75/23/76/556752376.db2.gz FCGZYFYDNOSXOP-GOSISDBHSA-N 1 0 363.462 2.294 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000370039109 556764225 /nfs/dbraw/zinc/76/42/25/556764225.db2.gz VUOFWBLEYHTMFI-GOSISDBHSA-N 1 0 362.474 2.205 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689124 556940746 /nfs/dbraw/zinc/94/07/46/556940746.db2.gz KBGVKHFOBRDKAV-ROUUACIJSA-N 1 0 374.441 2.132 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370915899 557014451 /nfs/dbraw/zinc/01/44/51/557014451.db2.gz DYMAQALNMXFMBG-KSSFIOAISA-N 1 0 371.441 2.450 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000517760860 562097579 /nfs/dbraw/zinc/09/75/79/562097579.db2.gz CTTLVZRRQLWNHK-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO CC1=C[C@H](C)C[C@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517442160 562090422 /nfs/dbraw/zinc/09/04/22/562090422.db2.gz NBPPIWVKAFEJKS-ZFWWWQNUSA-N 1 0 367.471 2.455 20 5 FEBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371492065 557199156 /nfs/dbraw/zinc/19/91/56/557199156.db2.gz AKGDGIVLNZIJMU-RDJZCZTQSA-N 1 0 371.441 2.208 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371533084 557212497 /nfs/dbraw/zinc/21/24/97/557212497.db2.gz DDBSQRBRMYHZLZ-SGMGOOAPSA-N 1 0 373.438 2.156 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069344 562103639 /nfs/dbraw/zinc/10/36/39/562103639.db2.gz OJXMVSXURLWASG-BETUJISGSA-N 1 0 363.414 2.359 20 5 FEBDRO COc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000517822343 562098670 /nfs/dbraw/zinc/09/86/70/562098670.db2.gz WZIUDQZNUPFENN-MRXNPFEDSA-N 1 0 373.413 2.284 20 5 FEBDRO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372115367 557383455 /nfs/dbraw/zinc/38/34/55/557383455.db2.gz GOGDNVDJHUBRFK-SOLBZPMBSA-N 1 0 358.442 2.076 20 5 FEBDRO CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518976122 562122392 /nfs/dbraw/zinc/12/23/92/562122392.db2.gz VCNZZGDBVHFDPO-LBPRGKRZSA-N 1 0 359.835 2.105 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372521886 557491526 /nfs/dbraw/zinc/49/15/26/557491526.db2.gz KRYIPIPQPIAIOZ-NJAFHUGGSA-N 1 0 361.442 2.143 20 5 FEBDRO CN1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1=O ZINC000372547048 557500153 /nfs/dbraw/zinc/50/01/53/557500153.db2.gz MDUFNABKXLKSPA-GOSISDBHSA-N 1 0 371.397 2.089 20 5 FEBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372617773 557522000 /nfs/dbraw/zinc/52/20/00/557522000.db2.gz QXGSHRABTYFLTC-CYBMUJFWSA-N 1 0 352.822 2.357 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000373173188 557643623 /nfs/dbraw/zinc/64/36/23/557643623.db2.gz MUOIPEHCYWEELK-RTCCRHLQSA-N 1 0 359.835 2.199 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000373210667 557650619 /nfs/dbraw/zinc/65/06/19/557650619.db2.gz PQYRNLGWTJHPJL-ZDUSSCGKSA-N 1 0 358.358 2.052 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3cc([N+](=O)[O-])ccc3Cl)[nH]2)CC1 ZINC000373293688 557666707 /nfs/dbraw/zinc/66/67/07/557666707.db2.gz VBHKQMJTSBGXDY-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471138 557699843 /nfs/dbraw/zinc/69/98/43/557699843.db2.gz KJVICLYMSZBBDF-LSDHHAIUSA-N 1 0 364.450 2.012 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520377923 562154944 /nfs/dbraw/zinc/15/49/44/562154944.db2.gz WEBJCXKUAQPVGR-HNNXBMFYSA-N 1 0 350.419 2.147 20 5 FEBDRO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396981 562155459 /nfs/dbraw/zinc/15/54/59/562155459.db2.gz XJFKHGMTXKNTSR-RDJZCZTQSA-N 1 0 365.474 2.435 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373809619 557764265 /nfs/dbraw/zinc/76/42/65/557764265.db2.gz JVCKAHRIFDJRGP-RDTXWAMCSA-N 1 0 363.414 2.193 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000373835766 557769723 /nfs/dbraw/zinc/76/97/23/557769723.db2.gz IMSWLAIYSKFFPG-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1c(Cl)cccc1[N+](=O)[O-])C2=O ZINC000520576672 562159460 /nfs/dbraw/zinc/15/94/60/562159460.db2.gz OUJMDKVWWCLCRD-QLJPJBMISA-N 1 0 366.805 2.188 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760724 562163069 /nfs/dbraw/zinc/16/30/69/562163069.db2.gz GMBOSFXVONHWAF-BETUJISGSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000374260480 557854059 /nfs/dbraw/zinc/85/40/59/557854059.db2.gz WBIGUEVPSLXRBF-MRXNPFEDSA-N 1 0 362.474 2.074 20 5 FEBDRO O=C1[C@@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366433 557872837 /nfs/dbraw/zinc/87/28/37/557872837.db2.gz NUBWWCLGPASVNM-QAPCUYQASA-N 1 0 359.426 2.449 20 5 FEBDRO COC(=O)c1cc(C(=O)NCc2cn3cccc(C)c3n2)cc([N+](=O)[O-])c1 ZINC000521054188 562168618 /nfs/dbraw/zinc/16/86/18/562168618.db2.gz LKHSPIHCIXSAKR-UHFFFAOYSA-N 1 0 368.349 2.268 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000374632548 557909482 /nfs/dbraw/zinc/90/94/82/557909482.db2.gz RRTJKAWKUUDGFF-FPMFFAJLSA-N 1 0 363.414 2.202 20 5 FEBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641898 557910888 /nfs/dbraw/zinc/91/08/88/557910888.db2.gz BHCZYNLHJINPJJ-FZKQIMNGSA-N 1 0 372.381 2.420 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374783049 557930875 /nfs/dbraw/zinc/93/08/75/557930875.db2.gz VPKFJOULUQOLHV-INIZCTEOSA-N 1 0 350.438 2.334 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1SC ZINC000375066555 557972989 /nfs/dbraw/zinc/97/29/89/557972989.db2.gz RWPQNRNQCBVEQR-FZMZJTMJSA-N 1 0 365.455 2.492 20 5 FEBDRO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394490 558020375 /nfs/dbraw/zinc/02/03/75/558020375.db2.gz UHPHUBDRSKPCIA-GDBMZVCRSA-N 1 0 369.425 2.406 20 5 FEBDRO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000375520161 558042259 /nfs/dbraw/zinc/04/22/59/558042259.db2.gz SGFSSHGURKVMCG-QGZVFWFLSA-N 1 0 361.423 2.136 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376342274 558160351 /nfs/dbraw/zinc/16/03/51/558160351.db2.gz AEWXOUJZZHWSAP-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO COc1cc(C(=O)Nc2cnccc2-n2ccnn2)cc([N+](=O)[O-])c1C ZINC000377481126 558348229 /nfs/dbraw/zinc/34/82/29/558348229.db2.gz NTRJUTJMWZKXDS-UHFFFAOYSA-N 1 0 354.326 2.140 20 5 FEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377576090 558369298 /nfs/dbraw/zinc/36/92/98/558369298.db2.gz WFPRJRYKZOOJJR-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO CC(C)[C@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377645449 558385461 /nfs/dbraw/zinc/38/54/61/558385461.db2.gz QBXVVIFBOGWJFY-QGZVFWFLSA-N 1 0 353.394 2.403 20 5 FEBDRO CC(C)[C@@H](C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000523515345 562214431 /nfs/dbraw/zinc/21/44/31/562214431.db2.gz DFTADASYUUXBFC-ZDUSSCGKSA-N 1 0 372.491 2.139 20 5 FEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389757889 558610015 /nfs/dbraw/zinc/61/00/15/558610015.db2.gz XIEGEUWAVNTRKL-GFCCVEGCSA-N 1 0 356.220 2.475 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000392287478 558616772 /nfs/dbraw/zinc/61/67/72/558616772.db2.gz CDPFLJCVVHFBGE-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000397303383 558624504 /nfs/dbraw/zinc/62/45/04/558624504.db2.gz GVVUNRHTIPXZSN-UTUOFQBUSA-N 1 0 351.403 2.057 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000397303388 558624512 /nfs/dbraw/zinc/62/45/12/558624512.db2.gz GVVUNRHTIPXZSN-WOPDTQHZSA-N 1 0 351.403 2.057 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000408059543 558642248 /nfs/dbraw/zinc/64/22/48/558642248.db2.gz QKJXXEQCYMNTKH-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000408371947 558671630 /nfs/dbraw/zinc/67/16/30/558671630.db2.gz GODUSSWQSKTECD-ZBFHGGJFSA-N 1 0 367.471 2.262 20 5 FEBDRO CNc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000524812959 562235500 /nfs/dbraw/zinc/23/55/00/562235500.db2.gz SPBVCBCBTMDHLD-UHFFFAOYSA-N 1 0 371.397 2.049 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411228694 558856802 /nfs/dbraw/zinc/85/68/02/558856802.db2.gz RMNSCVIENLSVID-OKILXGFUSA-N 1 0 362.430 2.221 20 5 FEBDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411413774 558890533 /nfs/dbraw/zinc/89/05/33/558890533.db2.gz BDPRLVFKNNOXGO-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428587 558893447 /nfs/dbraw/zinc/89/34/47/558893447.db2.gz QAGJFUNJJAGMLD-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411546138 558914551 /nfs/dbraw/zinc/91/45/51/558914551.db2.gz SDHMIWVHKMEFJW-CQSZACIVSA-N 1 0 364.446 2.387 20 5 FEBDRO NC(=O)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000411991975 559000139 /nfs/dbraw/zinc/00/01/39/559000139.db2.gz ZMYAKYJMIBYEBS-ZWKOTPCHSA-N 1 0 355.394 2.175 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(CC[NH+](C)C)CC(C)C)c1F ZINC000412206031 559019749 /nfs/dbraw/zinc/01/97/49/559019749.db2.gz MKPDUQCBDYBCBG-UHFFFAOYSA-N 1 0 355.410 2.331 20 5 FEBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414401863 559161854 /nfs/dbraw/zinc/16/18/54/559161854.db2.gz OLAGDSOJVSGLMK-UHFFFAOYSA-N 1 0 374.441 2.328 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000414658311 559177885 /nfs/dbraw/zinc/17/78/85/559177885.db2.gz QJGQGILFHIQYKO-UHFFFAOYSA-N 1 0 359.386 2.300 20 5 FEBDRO COC[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]1 ZINC000414945978 559196436 /nfs/dbraw/zinc/19/64/36/559196436.db2.gz JAZMDPURYJBGIQ-HNNXBMFYSA-N 1 0 374.344 2.086 20 5 FEBDRO CO[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000414949603 559196581 /nfs/dbraw/zinc/19/65/81/559196581.db2.gz NVHODRYLZMPZNX-WDEREUQCSA-N 1 0 374.344 2.166 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)Nc1ccncc1[N+](=O)[O-] ZINC000415390837 559230399 /nfs/dbraw/zinc/23/03/99/559230399.db2.gz VDXLNQOHYQMJFD-DZGCQCFKSA-N 1 0 373.388 2.066 20 5 FEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415431018 559235741 /nfs/dbraw/zinc/23/57/41/559235741.db2.gz RVMXHXRBUSSQHF-ZDUSSCGKSA-N 1 0 364.446 2.320 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@](C)(C[NH3+])C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415594409 559253650 /nfs/dbraw/zinc/25/36/50/559253650.db2.gz GHPDAVBOMHMKOD-MRXNPFEDSA-N 1 0 352.391 2.185 20 5 FEBDRO C[NH2+]Cc1cccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000415928412 559283102 /nfs/dbraw/zinc/28/31/02/559283102.db2.gz HLSZCFUDRJHTCG-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO C[N@H+](CCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000416503452 559318364 /nfs/dbraw/zinc/31/83/64/559318364.db2.gz VTTVIZOBNSJOOA-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325275 559357696 /nfs/dbraw/zinc/35/76/96/559357696.db2.gz BOZOPNGKBYDCFK-CZUORRHYSA-N 1 0 355.460 2.280 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417387357 559360346 /nfs/dbraw/zinc/36/03/46/559360346.db2.gz NJPGSVISGDCYOU-WCQYABFASA-N 1 0 356.373 2.241 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000417717877 559373845 /nfs/dbraw/zinc/37/38/45/559373845.db2.gz NIBHGBILPCFPCQ-CQSZACIVSA-N 1 0 351.451 2.378 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418081749 559389446 /nfs/dbraw/zinc/38/94/46/559389446.db2.gz HBANYPJKJPZCOZ-ZDUSSCGKSA-N 1 0 372.429 2.002 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087226 559389753 /nfs/dbraw/zinc/38/97/53/559389753.db2.gz GKGLAJVKUXXPDS-MWLCHTKSSA-N 1 0 360.336 2.492 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418573842 559406795 /nfs/dbraw/zinc/40/67/95/559406795.db2.gz LQTBNCSFRACVFG-SUMWQHHRSA-N 1 0 362.430 2.146 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418749398 559413719 /nfs/dbraw/zinc/41/37/19/559413719.db2.gz CDNZKUZSTWMZIH-CQSZACIVSA-N 1 0 354.357 2.266 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419281375 559435203 /nfs/dbraw/zinc/43/52/03/559435203.db2.gz BDPLUGSXPQPCSC-ZBFHGGJFSA-N 1 0 366.368 2.138 20 5 FEBDRO CCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000420295459 559478976 /nfs/dbraw/zinc/47/89/76/559478976.db2.gz PGKDIYUGHOPQFB-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000420440993 559487450 /nfs/dbraw/zinc/48/74/50/559487450.db2.gz CIDVJFZDQUMIHN-CYBMUJFWSA-N 1 0 363.439 2.277 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420446621 559487727 /nfs/dbraw/zinc/48/77/27/559487727.db2.gz HSDTXYWYLNDMHI-UHFFFAOYSA-N 1 0 367.349 2.034 20 5 FEBDRO CC1(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000420446936 559487848 /nfs/dbraw/zinc/48/78/48/559487848.db2.gz IFZHWCZLGLQOHT-UHFFFAOYSA-N 1 0 367.349 2.034 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000421795427 559553819 /nfs/dbraw/zinc/55/38/19/559553819.db2.gz IGALLTBMDHJSMG-MRXNPFEDSA-N 1 0 374.485 2.452 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000422552649 559594635 /nfs/dbraw/zinc/59/46/35/559594635.db2.gz HZGIXJUCUSKQNO-IHRRRGAJSA-N 1 0 355.460 2.206 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422898445 559610467 /nfs/dbraw/zinc/61/04/67/559610467.db2.gz LYOUAXSPMHEDNA-HNNXBMFYSA-N 1 0 351.403 2.217 20 5 FEBDRO [NH3+][C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000423482683 559630047 /nfs/dbraw/zinc/63/00/47/559630047.db2.gz RTXRWHBFKKBDFB-OAHLLOKOSA-N 1 0 357.360 2.427 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423953264 559647845 /nfs/dbraw/zinc/64/78/45/559647845.db2.gz AYJJTCIPUFJODU-HNNXBMFYSA-N 1 0 371.393 2.358 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000424034943 559652034 /nfs/dbraw/zinc/65/20/34/559652034.db2.gz DJRDJTDKJNZJEY-GOEBONIOSA-N 1 0 359.357 2.309 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424050043 559652699 /nfs/dbraw/zinc/65/26/99/559652699.db2.gz AULIIZAJEHJGTO-VNHYZAJKSA-N 1 0 357.414 2.226 20 5 FEBDRO CO[C@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000425434706 559702193 /nfs/dbraw/zinc/70/21/93/559702193.db2.gz QQIZCSICTUHSFQ-QGZVFWFLSA-N 1 0 359.430 2.408 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466918 559703830 /nfs/dbraw/zinc/70/38/30/559703830.db2.gz CFMALGVAUZBHDG-VXGBXAGGSA-N 1 0 372.263 2.244 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000426007437 559727639 /nfs/dbraw/zinc/72/76/39/559727639.db2.gz KMCMWNPQDMQPPE-UHFFFAOYSA-N 1 0 364.450 2.012 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426273015 559732125 /nfs/dbraw/zinc/73/21/25/559732125.db2.gz CEXIMSXKWSSYRO-UHFFFAOYSA-N 1 0 373.356 2.024 20 5 FEBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C[NH+]1CCCCCC1 ZINC000426749117 559741479 /nfs/dbraw/zinc/74/14/79/559741479.db2.gz CRDPJOOXWUTHTP-UHFFFAOYSA-N 1 0 350.463 2.343 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427153972 559749269 /nfs/dbraw/zinc/74/92/69/559749269.db2.gz UPVUIPKXODOJME-KRWDZBQOSA-N 1 0 365.405 2.451 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428534441 559777433 /nfs/dbraw/zinc/77/74/33/559777433.db2.gz KAOCVKVRLJJOHB-QGZVFWFLSA-N 1 0 373.384 2.482 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428548127 559777931 /nfs/dbraw/zinc/77/79/31/559777931.db2.gz NQEYFWUEIDMILP-GOSISDBHSA-N 1 0 355.394 2.343 20 5 FEBDRO COc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000428550503 559778005 /nfs/dbraw/zinc/77/80/05/559778005.db2.gz VJMBLVHCHKSTQU-INIZCTEOSA-N 1 0 371.393 2.422 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428551930 559778084 /nfs/dbraw/zinc/77/80/84/559778084.db2.gz LMATYJXBXUBAQW-OAHLLOKOSA-N 1 0 371.393 2.422 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)n1 ZINC000429009483 559788205 /nfs/dbraw/zinc/78/82/05/559788205.db2.gz ORPNVCSLBFZRRZ-GFCCVEGCSA-N 1 0 373.182 2.016 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000429214268 559793051 /nfs/dbraw/zinc/79/30/51/559793051.db2.gz GUXHTZDYOWZGHG-AWEZNQCLSA-N 1 0 364.446 2.128 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000429760168 559805105 /nfs/dbraw/zinc/80/51/05/559805105.db2.gz MNDIUXOLDYZSPW-SCRDCRAPSA-N 1 0 351.403 2.071 20 5 FEBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430590566 559823966 /nfs/dbraw/zinc/82/39/66/559823966.db2.gz DFRGCMKDKUSVFW-ZDUSSCGKSA-N 1 0 364.446 2.252 20 5 FEBDRO O=C(CN1CC[NH2+]Cc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430926849 559830500 /nfs/dbraw/zinc/83/05/00/559830500.db2.gz PACNIJYTPBKICI-UHFFFAOYSA-N 1 0 352.394 2.094 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000432118884 559852391 /nfs/dbraw/zinc/85/23/91/559852391.db2.gz YNQIZGPJHBGHJT-INIZCTEOSA-N 1 0 361.442 2.472 20 5 FEBDRO CCn1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O ZINC000433103473 559871797 /nfs/dbraw/zinc/87/17/97/559871797.db2.gz LFTIDSKFAOTBPZ-CYBMUJFWSA-N 1 0 358.398 2.283 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433754511 559887262 /nfs/dbraw/zinc/88/72/62/559887262.db2.gz WJSYDTBLMOVYIU-UHFFFAOYSA-N 1 0 367.450 2.061 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711015 559907240 /nfs/dbraw/zinc/90/72/40/559907240.db2.gz LBRJODUFTYQVDQ-GXTWGEPZSA-N 1 0 371.441 2.279 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435247344 559918840 /nfs/dbraw/zinc/91/88/40/559918840.db2.gz WEJXWPRJJKXBPD-MFKMUULPSA-N 1 0 353.806 2.368 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])o1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562554 559925094 /nfs/dbraw/zinc/92/50/94/559925094.db2.gz HCDKFWAYKLWYNY-GFCCVEGCSA-N 1 0 362.411 2.429 20 5 FEBDRO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440951812 560020010 /nfs/dbraw/zinc/02/00/10/560020010.db2.gz SQPROZVFYYFRAT-DJIMGWMZSA-N 1 0 350.415 2.366 20 5 FEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000441626160 560036410 /nfs/dbraw/zinc/03/64/10/560036410.db2.gz XCRUZACBWFVMOR-OLZOCXBDSA-N 1 0 357.414 2.488 20 5 FEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000441626162 560036521 /nfs/dbraw/zinc/03/65/21/560036521.db2.gz XCRUZACBWFVMOR-STQMWFEESA-N 1 0 357.414 2.488 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443063240 560068712 /nfs/dbraw/zinc/06/87/12/560068712.db2.gz DBGKMJHICPRHDK-OCCSQVGLSA-N 1 0 352.387 2.146 20 5 FEBDRO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000443852557 560094627 /nfs/dbraw/zinc/09/46/27/560094627.db2.gz QSFVNWXOFXYUFG-AWEZNQCLSA-N 1 0 367.452 2.186 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000443868404 560094972 /nfs/dbraw/zinc/09/49/72/560094972.db2.gz MKTXIBRPRJXJFB-KRWDZBQOSA-N 1 0 361.442 2.159 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000445070001 560127948 /nfs/dbraw/zinc/12/79/48/560127948.db2.gz GTUBVWIEEGKFIS-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCSC1 ZINC000445894704 560136381 /nfs/dbraw/zinc/13/63/81/560136381.db2.gz RDOQOBNOZVTLGN-QGZVFWFLSA-N 1 0 364.471 2.100 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446904666 560153275 /nfs/dbraw/zinc/15/32/75/560153275.db2.gz BSOHQTADJHTNRT-QWHCGFSZSA-N 1 0 374.445 2.485 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000446901096 560153334 /nfs/dbraw/zinc/15/33/34/560153334.db2.gz ACIICBGICIAUDF-QYAOZPGESA-N 1 0 356.426 2.440 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000447245989 560158673 /nfs/dbraw/zinc/15/86/73/560158673.db2.gz OAURAKFHYGVHBG-HTQZYQBOSA-N 1 0 368.242 2.259 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOC[C@H]2CCCO2)n1 ZINC000447515159 560163553 /nfs/dbraw/zinc/16/35/53/560163553.db2.gz BCKMCFIALQGYEY-BZUAXINKSA-N 1 0 352.435 2.450 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOC[C@@H]2CCOC2)n1 ZINC000447538108 560164206 /nfs/dbraw/zinc/16/42/06/560164206.db2.gz ALFLZYNKOZOBJT-ARFHVFGLSA-N 1 0 352.435 2.308 20 5 FEBDRO CC(C)[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447803946 560169461 /nfs/dbraw/zinc/16/94/61/560169461.db2.gz CKLGRBNWJLPJKQ-IBGZPJMESA-N 1 0 362.474 2.203 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C[NH+]1CCCC1 ZINC000448739469 560197289 /nfs/dbraw/zinc/19/72/89/560197289.db2.gz QYEORTUUQLFCFL-ZDUSSCGKSA-N 1 0 357.414 2.447 20 5 FEBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449169107 560218842 /nfs/dbraw/zinc/21/88/42/560218842.db2.gz CHMHUDAHCPXAKX-XJKSGUPXSA-N 1 0 371.441 2.353 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449171795 560218883 /nfs/dbraw/zinc/21/88/83/560218883.db2.gz AQCBMRHXNFTIGR-IBGZPJMESA-N 1 0 354.410 2.054 20 5 FEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[N@H+]1CCO ZINC000449544465 560233193 /nfs/dbraw/zinc/23/31/93/560233193.db2.gz QPXJUOZOPFJODN-TXEJJXNPSA-N 1 0 359.373 2.083 20 5 FEBDRO CCOc1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000449687342 560236852 /nfs/dbraw/zinc/23/68/52/560236852.db2.gz PCNAKNBSIHAFQH-LBPRGKRZSA-N 1 0 351.403 2.264 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449722144 560238150 /nfs/dbraw/zinc/23/81/50/560238150.db2.gz PJWDUAJDVCNEIM-LDYMZIIASA-N 1 0 351.350 2.471 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000449733450 560238527 /nfs/dbraw/zinc/23/85/27/560238527.db2.gz ONKJWHGCLXUFTP-DZGCQCFKSA-N 1 0 365.455 2.047 20 5 FEBDRO C[C@H]1C[N@H+](CCO)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449785817 560240108 /nfs/dbraw/zinc/24/01/08/560240108.db2.gz JIFOFOYMMSAFGS-ZDUSSCGKSA-N 1 0 362.455 2.217 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](CC(C)(C)O)CC1 ZINC000450303125 560257700 /nfs/dbraw/zinc/25/77/00/560257700.db2.gz IVRNGHBVUGYFFQ-UHFFFAOYSA-N 1 0 360.414 2.045 20 5 FEBDRO Cc1nc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450352765 560259528 /nfs/dbraw/zinc/25/95/28/560259528.db2.gz ZNECIQUDCXZRPM-AWEZNQCLSA-N 1 0 356.430 2.316 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450452878 560262593 /nfs/dbraw/zinc/26/25/93/560262593.db2.gz KVOSKSCAVZVCRB-WMLDXEAASA-N 1 0 373.461 2.336 20 5 FEBDRO C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000450812594 560274323 /nfs/dbraw/zinc/27/43/23/560274323.db2.gz SKIQAWBJIKKULT-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341102 560301319 /nfs/dbraw/zinc/30/13/19/560301319.db2.gz KRVNRUWYDRBXKH-SCTDSRPQSA-N 1 0 373.453 2.499 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418402 560305712 /nfs/dbraw/zinc/30/57/12/560305712.db2.gz MREYVOWRINWJGW-NUEKZKHPSA-N 1 0 363.414 2.167 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451425459 560306369 /nfs/dbraw/zinc/30/63/69/560306369.db2.gz UEQHCHLXWXRCJS-UNEWFSDZSA-N 1 0 363.414 2.167 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451593919 560316488 /nfs/dbraw/zinc/31/64/88/560316488.db2.gz IUZPIZLYCQFICM-RDTXWAMCSA-N 1 0 367.446 2.421 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451898579 560335792 /nfs/dbraw/zinc/33/57/92/560335792.db2.gz XUWILMJGVJHXHP-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452055072 560348568 /nfs/dbraw/zinc/34/85/68/560348568.db2.gz BIWAWMYKFKBEPU-MRXNPFEDSA-N 1 0 363.439 2.312 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+](C2CC2)C1 ZINC000452172349 560354578 /nfs/dbraw/zinc/35/45/78/560354578.db2.gz WGDLMWIXPRXFOQ-AWEZNQCLSA-N 1 0 369.425 2.337 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452369906 560360740 /nfs/dbraw/zinc/36/07/40/560360740.db2.gz FFBXEZAODAWLEF-SJLPKXTDSA-N 1 0 363.458 2.127 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452392769 560363003 /nfs/dbraw/zinc/36/30/03/560363003.db2.gz RQGKFOMTOYDKOY-AWEZNQCLSA-N 1 0 363.439 2.386 20 5 FEBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839439 560375805 /nfs/dbraw/zinc/37/58/05/560375805.db2.gz GHCKTAGJKJWPMC-RDJZCZTQSA-N 1 0 361.442 2.269 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000453086514 560382927 /nfs/dbraw/zinc/38/29/27/560382927.db2.gz LYAMEMJROUELTA-QGZVFWFLSA-N 1 0 367.471 2.432 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000453603064 560390732 /nfs/dbraw/zinc/39/07/32/560390732.db2.gz PYFOQZXHNSDANV-UHFFFAOYSA-N 1 0 359.382 2.182 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455395666 560480634 /nfs/dbraw/zinc/48/06/34/560480634.db2.gz BRSUHZSMTGIIML-SECBINFHSA-N 1 0 357.208 2.431 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@@H]21 ZINC000456157082 560509053 /nfs/dbraw/zinc/50/90/53/560509053.db2.gz CNCXLVCGVIUWSL-ZBFHGGJFSA-N 1 0 352.394 2.433 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000457897693 560592947 /nfs/dbraw/zinc/59/29/47/560592947.db2.gz HMZHDJCRGUXZNC-CQSZACIVSA-N 1 0 350.419 2.229 20 5 FEBDRO Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)ccc1OCC[NH+](C)C ZINC000458198112 560608293 /nfs/dbraw/zinc/60/82/93/560608293.db2.gz OWFLRIUXIFOSRT-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511513 560628861 /nfs/dbraw/zinc/62/88/61/560628861.db2.gz PQGZBHNMSGBRAR-HOCLYGCPSA-N 1 0 364.446 2.110 20 5 FEBDRO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000459640357 560699075 /nfs/dbraw/zinc/69/90/75/560699075.db2.gz FDZAORRGDCJYDD-UHFFFAOYSA-N 1 0 363.439 2.491 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459767658 560707236 /nfs/dbraw/zinc/70/72/36/560707236.db2.gz QDPLJQSGEHPGLO-JKSUJKDBSA-N 1 0 363.414 2.479 20 5 FEBDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787936 560851010 /nfs/dbraw/zinc/85/10/10/560851010.db2.gz GCSCAYHCKGCZNR-ROUUACIJSA-N 1 0 364.421 2.490 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984010 560877600 /nfs/dbraw/zinc/87/76/00/560877600.db2.gz RVISQRFZJPNVPE-LSDHHAIUSA-N 1 0 363.462 2.487 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000468463283 560930573 /nfs/dbraw/zinc/93/05/73/560930573.db2.gz ZPBGADGQBSZKMK-MRXNPFEDSA-N 1 0 365.430 2.462 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140724 560975152 /nfs/dbraw/zinc/97/51/52/560975152.db2.gz LJFXCACEGUTAEU-GFCCVEGCSA-N 1 0 366.393 2.451 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000470690092 560987589 /nfs/dbraw/zinc/98/75/89/560987589.db2.gz PLVOEOLYZXBBPU-HNNXBMFYSA-N 1 0 363.414 2.374 20 5 FEBDRO CCN(CCC[NH+](CC)CC)c1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000472424432 561026163 /nfs/dbraw/zinc/02/61/63/561026163.db2.gz IIZRTOFUHVNYCF-UHFFFAOYSA-N 1 0 372.491 2.061 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472619944 561031280 /nfs/dbraw/zinc/03/12/80/561031280.db2.gz DSQRQCBIHCFBDU-UHFFFAOYSA-N 1 0 366.393 2.053 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000473285928 561046541 /nfs/dbraw/zinc/04/65/41/561046541.db2.gz ZOJAJAIQHOPHIC-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000474011369 561063420 /nfs/dbraw/zinc/06/34/20/561063420.db2.gz QFTLEDRBYSHEMT-VIFPVBQESA-N 1 0 350.293 2.435 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000474358003 561071993 /nfs/dbraw/zinc/07/19/93/561071993.db2.gz VZJNNGDEHLIQLW-AEFFLSMTSA-N 1 0 366.414 2.177 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000474378321 561072741 /nfs/dbraw/zinc/07/27/41/561072741.db2.gz PALJLNHXSCIKLZ-CYBMUJFWSA-N 1 0 359.382 2.262 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000474669911 561080091 /nfs/dbraw/zinc/08/00/91/561080091.db2.gz RDEKAZNLEYLALQ-UHFFFAOYSA-N 1 0 352.822 2.352 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1[N+](=O)[O-] ZINC000475710112 561102844 /nfs/dbraw/zinc/10/28/44/561102844.db2.gz OXQVVTDMRVUYSF-UHFFFAOYSA-N 1 0 374.397 2.180 20 5 FEBDRO COc1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000476047604 561110236 /nfs/dbraw/zinc/11/02/36/561110236.db2.gz CSWWATBXURYDJV-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000476364312 561117696 /nfs/dbraw/zinc/11/76/96/561117696.db2.gz JYTQQKOKECFEFS-UHFFFAOYSA-N 1 0 365.821 2.186 20 5 FEBDRO C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000476648707 561125240 /nfs/dbraw/zinc/12/52/40/561125240.db2.gz OMWMJGNOEXYKNK-GOEBONIOSA-N 1 0 371.441 2.359 20 5 FEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000477032737 561134675 /nfs/dbraw/zinc/13/46/75/561134675.db2.gz RZCHRRIIPCLSAL-CYBMUJFWSA-N 1 0 373.413 2.301 20 5 FEBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000532553479 562481180 /nfs/dbraw/zinc/48/11/80/562481180.db2.gz DDMBZNXPFGVURI-UHFFFAOYSA-N 1 0 361.402 2.280 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000532581365 562482011 /nfs/dbraw/zinc/48/20/11/562482011.db2.gz WJMLSJAGKYKSCT-AWEZNQCLSA-N 1 0 362.430 2.101 20 5 FEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(C2CC2)C1 ZINC000533440830 562508847 /nfs/dbraw/zinc/50/88/47/562508847.db2.gz JQLQCTJEPXBMON-OAHLLOKOSA-N 1 0 360.414 2.061 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCSC1 ZINC000533806680 562518748 /nfs/dbraw/zinc/51/87/48/562518748.db2.gz HZFJXKRMNHOSII-QGZVFWFLSA-N 1 0 364.471 2.100 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313765 562555621 /nfs/dbraw/zinc/55/56/21/562555621.db2.gz MUKZPEPISYNXER-CQSZACIVSA-N 1 0 357.414 2.455 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535701515 562564567 /nfs/dbraw/zinc/56/45/67/562564567.db2.gz PMXAQSSPFWLOPS-ZDUSSCGKSA-N 1 0 360.414 2.259 20 5 FEBDRO COc1ccc(CC(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901245 562596177 /nfs/dbraw/zinc/59/61/77/562596177.db2.gz XJZYKCOOWPONSJ-SJORKVTESA-N 1 0 369.421 2.360 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000601740494 567822682 /nfs/dbraw/zinc/82/26/82/567822682.db2.gz UGLFFRFCXWAIMU-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO CN(C(=O)CN(CC[NH+](C)C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000568644941 568106799 /nfs/dbraw/zinc/10/67/99/568106799.db2.gz WJEGSNVLNCRKER-UHFFFAOYSA-N 1 0 371.441 2.016 20 5 FEBDRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570048365 568443350 /nfs/dbraw/zinc/44/33/50/568443350.db2.gz RPXFVUNTDGGPEP-CYBMUJFWSA-N 1 0 355.398 2.200 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000556922753 674427972 /nfs/dbraw/zinc/42/79/72/674427972.db2.gz FABKTGAZWDOTBS-GDBMZVCRSA-N 1 0 369.487 2.320 20 5 FEBDRO [NH3+]C[C@@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000557206255 674442247 /nfs/dbraw/zinc/44/22/47/674442247.db2.gz QWAHUWRHEQJUMJ-JTQLQIEISA-N 1 0 360.336 2.494 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738357988 599534688 /nfs/dbraw/zinc/53/46/88/599534688.db2.gz JLKIZMZGGHIFSJ-CQSZACIVSA-N 1 0 357.418 2.230 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000825849691 607448797 /nfs/dbraw/zinc/44/87/97/607448797.db2.gz LQQFIPLDAATWRI-OAHLLOKOSA-N 1 0 367.413 2.360 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820686572 606699556 /nfs/dbraw/zinc/69/95/56/606699556.db2.gz YKMXGSBRQQSZEQ-JHJVBQTASA-N 1 0 372.433 2.012 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569367 608487119 /nfs/dbraw/zinc/48/71/19/608487119.db2.gz HJCFDIXCFQSYFW-BZNIZROVSA-N 1 0 354.370 2.159 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826499107 608528354 /nfs/dbraw/zinc/52/83/54/608528354.db2.gz WBQWBPNPHWXILE-UHFFFAOYSA-N 1 0 366.381 2.433 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000811814199 674630396 /nfs/dbraw/zinc/63/03/96/674630396.db2.gz SQOXQEJIWVRWLX-KRWDZBQOSA-N 1 0 353.419 2.003 20 5 FEBDRO COC(=O)c1cc(C)nc(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000561107346 674637725 /nfs/dbraw/zinc/63/77/25/674637725.db2.gz ZZZFSKDRWNHRDD-CYBMUJFWSA-N 1 0 350.419 2.761 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000561341354 674658095 /nfs/dbraw/zinc/65/80/95/674658095.db2.gz XBKTZOIPJCPMGZ-UHFFFAOYSA-N 1 0 350.419 2.397 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000561552441 674678804 /nfs/dbraw/zinc/67/88/04/674678804.db2.gz QPYLMNSDTMWGDE-BBRMVZONSA-N 1 0 367.471 2.405 20 5 FEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@H](C)C1 ZINC000563427594 674886243 /nfs/dbraw/zinc/88/62/43/674886243.db2.gz ZYUNDWBTWZXDDA-CYBMUJFWSA-N 1 0 352.410 2.101 20 5 FEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814974849 674890947 /nfs/dbraw/zinc/89/09/47/674890947.db2.gz HYZOTSYKFSEUQO-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018452 674897840 /nfs/dbraw/zinc/89/78/40/674897840.db2.gz QBSFRIFGFXYWGN-IUCAKERBSA-N 1 0 365.814 2.148 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000563529265 674903213 /nfs/dbraw/zinc/90/32/13/674903213.db2.gz WXUCLESCGVBMAJ-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817149398 675105483 /nfs/dbraw/zinc/10/54/83/675105483.db2.gz FARHIGUGZGGLCQ-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000068084504 670465742 /nfs/dbraw/zinc/46/57/42/670465742.db2.gz JUVGYWYLSCHONK-NEPJUHHUSA-N 1 0 350.375 2.353 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C1CC1 ZINC000083989813 670663470 /nfs/dbraw/zinc/66/34/70/670663470.db2.gz JMOAQSRYAYTDMT-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000571626941 670902639 /nfs/dbraw/zinc/90/26/39/670902639.db2.gz MUQQGIRZHDUTJQ-GBJTYRQASA-N 1 0 370.475 2.220 20 5 FEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000571626942 670902697 /nfs/dbraw/zinc/90/26/97/670902697.db2.gz MUQQGIRZHDUTJQ-LJISPDSOSA-N 1 0 370.475 2.220 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3cncc(Cl)c3)CC2)n1 ZINC000572659735 671029158 /nfs/dbraw/zinc/02/91/58/671029158.db2.gz OKRBEABXBZMUTJ-UHFFFAOYSA-N 1 0 351.794 2.383 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000817863490 675183359 /nfs/dbraw/zinc/18/33/59/675183359.db2.gz BVWBIFIQLIHMON-VWYCJHECSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000574518141 671249267 /nfs/dbraw/zinc/24/92/67/671249267.db2.gz VJKAXHAZAHCVPA-JSGCOSHPSA-N 1 0 353.444 2.323 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019282 675191249 /nfs/dbraw/zinc/19/12/49/675191249.db2.gz RSNZQMIEHWEADX-CQSZACIVSA-N 1 0 372.194 2.465 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000608813038 675904624 /nfs/dbraw/zinc/90/46/24/675904624.db2.gz SCIXZCNVZAFMEN-UHFFFAOYSA-N 1 0 351.451 2.131 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000609269207 675916259 /nfs/dbraw/zinc/91/62/59/675916259.db2.gz NEOWCCVTQVMLSD-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000609565351 675926783 /nfs/dbraw/zinc/92/67/83/675926783.db2.gz FUXBUHCKVCPUQH-KRWDZBQOSA-N 1 0 350.371 2.350 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCOC1 ZINC000609631667 675930146 /nfs/dbraw/zinc/93/01/46/675930146.db2.gz KZWNMTIBJBOISB-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000579704677 671754650 /nfs/dbraw/zinc/75/46/50/671754650.db2.gz DANPDIZMDKJCRX-UONOGXRCSA-N 1 0 358.320 2.088 20 5 FEBDRO C[C@@H]1C[N@@H+](CC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000580047714 671778852 /nfs/dbraw/zinc/77/88/52/671778852.db2.gz OFZCTMRIPPYYPY-BETUJISGSA-N 1 0 352.410 2.455 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000580980948 671852517 /nfs/dbraw/zinc/85/25/17/671852517.db2.gz JLHZRFZKMIVMJO-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cs1 ZINC000119927825 671912634 /nfs/dbraw/zinc/91/26/34/671912634.db2.gz UAXSOIRCBGRIIV-UHFFFAOYSA-N 1 0 359.473 2.342 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120062888 671915659 /nfs/dbraw/zinc/91/56/59/671915659.db2.gz QGRIMRYTFAQVBW-LBPRGKRZSA-N 1 0 361.489 2.303 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610135194 675956246 /nfs/dbraw/zinc/95/62/46/675956246.db2.gz MEDREMDZTAJSRN-VXGBXAGGSA-N 1 0 359.423 2.227 20 5 FEBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000125250899 672009378 /nfs/dbraw/zinc/00/93/78/672009378.db2.gz BUPLCSRWSHJCSM-SNVBAGLBSA-N 1 0 360.336 2.236 20 5 FEBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582601835 672017142 /nfs/dbraw/zinc/01/71/42/672017142.db2.gz XZTWPXNDRYHZJH-RHSMWYFYSA-N 1 0 351.447 2.045 20 5 FEBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583410603 672091822 /nfs/dbraw/zinc/09/18/22/672091822.db2.gz WXLHLBWYQLGKMA-NEPJUHHUSA-N 1 0 362.167 2.466 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000176715619 672376380 /nfs/dbraw/zinc/37/63/80/672376380.db2.gz NYNFBKUJCCHURT-CHWSQXEVSA-N 1 0 353.394 2.271 20 5 FEBDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000589162574 672510909 /nfs/dbraw/zinc/51/09/09/672510909.db2.gz MUPMIGBHSPQLHB-XDTLVQLUSA-N 1 0 363.336 2.459 20 5 FEBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205226 676024981 /nfs/dbraw/zinc/02/49/81/676024981.db2.gz OPSSESXCCBBKRK-QWHCGFSZSA-N 1 0 351.403 2.289 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000185757929 672533826 /nfs/dbraw/zinc/53/38/26/672533826.db2.gz SJIPNPYOPGWZHV-OAHLLOKOSA-N 1 0 353.444 2.234 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611272183 676029096 /nfs/dbraw/zinc/02/90/96/676029096.db2.gz CWBVTZFMPORCPR-UHFFFAOYSA-N 1 0 359.373 2.085 20 5 FEBDRO CSc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590398988 672578236 /nfs/dbraw/zinc/57/82/36/672578236.db2.gz BEISQTHAVKJSAJ-DZGCQCFKSA-N 1 0 365.455 2.252 20 5 FEBDRO COC(=O)c1c(Cl)c(NCCN2CCCOCC2)ccc1[N+](=O)[O-] ZINC000590584261 672591726 /nfs/dbraw/zinc/59/17/26/672591726.db2.gz QONDKGCMHAMSBV-UHFFFAOYSA-N 1 0 357.794 2.169 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591125 672593767 /nfs/dbraw/zinc/59/37/67/672593767.db2.gz JTSCTMHLRQUKQF-DGCLKSJQSA-N 1 0 373.450 2.441 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1SC ZINC000590776516 672616791 /nfs/dbraw/zinc/61/67/91/672616791.db2.gz IFRGBYNRLUIPEC-GXFFZTMASA-N 1 0 351.428 2.101 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000591306399 672667534 /nfs/dbraw/zinc/66/75/34/672667534.db2.gz KOLYLUOATNBCQL-XHDPSFHLSA-N 1 0 350.419 2.472 20 5 FEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000591729665 672705809 /nfs/dbraw/zinc/70/58/09/672705809.db2.gz PYMWQWASJWUIOR-DOTOQJQBSA-N 1 0 351.447 2.045 20 5 FEBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000591757508 672708545 /nfs/dbraw/zinc/70/85/45/672708545.db2.gz YBOBNIOTOBWKJZ-UHFFFAOYSA-N 1 0 363.439 2.331 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193907392 672740766 /nfs/dbraw/zinc/74/07/66/672740766.db2.gz WEQSMWPPRPDTDM-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000194214310 672752557 /nfs/dbraw/zinc/75/25/57/672752557.db2.gz IWQWNUHPQAYRDA-ZDUSSCGKSA-N 1 0 370.475 2.166 20 5 FEBDRO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000592185210 672768559 /nfs/dbraw/zinc/76/85/59/672768559.db2.gz NJZDYNUTPCOOHE-AWEZNQCLSA-N 1 0 361.320 2.104 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CCO1 ZINC000592326188 672787734 /nfs/dbraw/zinc/78/77/34/672787734.db2.gz JQKPQLIGUIVDSF-CYBMUJFWSA-N 1 0 365.455 2.429 20 5 FEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000592329949 672788443 /nfs/dbraw/zinc/78/84/43/672788443.db2.gz DZDDBYFZFBSUAP-JTQLQIEISA-N 1 0 361.320 2.408 20 5 FEBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@@]1(O)CCOC1 ZINC000592396126 672797130 /nfs/dbraw/zinc/79/71/30/672797130.db2.gz HNZKITVGRGXKEP-CKEIUWERSA-N 1 0 352.435 2.042 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H](C)C(=O)OC)C2CC2)c1 ZINC000593008181 672863351 /nfs/dbraw/zinc/86/33/51/672863351.db2.gz QIHSVNONUJAKSE-LLVKDONJSA-N 1 0 350.371 2.155 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000593035484 672866282 /nfs/dbraw/zinc/86/62/82/672866282.db2.gz MZHIHQBQGZNJOS-LBPRGKRZSA-N 1 0 352.387 2.055 20 5 FEBDRO C[C@@H](CCO)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593107725 672877736 /nfs/dbraw/zinc/87/77/36/672877736.db2.gz HKONMSIRSIDIHB-VIFPVBQESA-N 1 0 364.183 2.402 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000593591630 672952912 /nfs/dbraw/zinc/95/29/12/672952912.db2.gz YRAFAFZICUFXTG-CQSZACIVSA-N 1 0 368.459 2.065 20 5 FEBDRO C[NH+](C)C[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593699789 672980815 /nfs/dbraw/zinc/98/08/15/672980815.db2.gz AUHVBTIGUAKEFD-LLVKDONJSA-N 1 0 351.794 2.047 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027231 673022113 /nfs/dbraw/zinc/02/21/13/673022113.db2.gz SSUYFQGKWYNEJL-HOCLYGCPSA-N 1 0 350.415 2.368 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000725892798 673095682 /nfs/dbraw/zinc/09/56/82/673095682.db2.gz MSMJPXNXYDLXKW-GFCCVEGCSA-N 1 0 350.375 2.273 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714664 673121966 /nfs/dbraw/zinc/12/19/66/673121966.db2.gz SCPIGPUPNUDUNV-INIZCTEOSA-N 1 0 351.447 2.139 20 5 FEBDRO COCc1csc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000594732426 673125830 /nfs/dbraw/zinc/12/58/30/673125830.db2.gz KPTUAVJYOZXUEB-CQSZACIVSA-N 1 0 352.412 2.332 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759164 673132308 /nfs/dbraw/zinc/13/23/08/673132308.db2.gz IPMCAVKRSVHFIG-GFCCVEGCSA-N 1 0 366.443 2.152 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594789761 673142937 /nfs/dbraw/zinc/14/29/37/673142937.db2.gz KNEWJIDLULUXPW-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000594859551 673167803 /nfs/dbraw/zinc/16/78/03/673167803.db2.gz AQBFXQWFWNTFJQ-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000594992950 673183751 /nfs/dbraw/zinc/18/37/51/673183751.db2.gz MBSJBVYGFHXZNO-LLVKDONJSA-N 1 0 351.403 2.046 20 5 FEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH3+] ZINC000595228603 673211849 /nfs/dbraw/zinc/21/18/49/673211849.db2.gz DMLILBXPVPSWHJ-RNCFNFMXSA-N 1 0 356.220 2.096 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000729630230 673241727 /nfs/dbraw/zinc/24/17/27/673241727.db2.gz VQCMLHCMSNHDFC-UHFFFAOYSA-N 1 0 369.853 2.397 20 5 FEBDRO COc1cc(CN2CCC(CO)([NH2+]CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000595513062 673259703 /nfs/dbraw/zinc/25/97/03/673259703.db2.gz RZLCRLJYRRWALP-UHFFFAOYSA-N 1 0 351.447 2.176 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595596203 673271191 /nfs/dbraw/zinc/27/11/91/673271191.db2.gz LXIFCZJZADVOTP-KRWDZBQOSA-N 1 0 350.415 2.131 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596157866 673363888 /nfs/dbraw/zinc/36/38/88/673363888.db2.gz IKKNCKTXIQAVSF-CYBMUJFWSA-N 1 0 353.854 2.248 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000596251378 673371859 /nfs/dbraw/zinc/37/18/59/673371859.db2.gz RJSMOPCTNPOFOB-UHFFFAOYSA-N 1 0 373.251 2.082 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596305906 673375849 /nfs/dbraw/zinc/37/58/49/673375849.db2.gz CQCVNCTVYFPZND-LBPRGKRZSA-N 1 0 370.475 2.130 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000596539879 673392435 /nfs/dbraw/zinc/39/24/35/673392435.db2.gz RGLLREMUIZJVDN-LBPRGKRZSA-N 1 0 360.336 2.044 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095351 673447032 /nfs/dbraw/zinc/44/70/32/673447032.db2.gz UDBGUUGQBAMXHX-UHFFFAOYSA-N 1 0 371.825 2.063 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000597573839 673488536 /nfs/dbraw/zinc/48/85/36/673488536.db2.gz JMTSGBUBLNMMRQ-MRXNPFEDSA-N 1 0 355.822 2.085 20 5 FEBDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000539462684 673491881 /nfs/dbraw/zinc/49/18/81/673491881.db2.gz KMELGCCQVARMBV-UHFFFAOYSA-N 1 0 366.443 2.391 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000539480942 673492361 /nfs/dbraw/zinc/49/23/61/673492361.db2.gz CNEKCZTYTCQUBT-UONOGXRCSA-N 1 0 372.878 2.164 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597858166 673513400 /nfs/dbraw/zinc/51/34/00/673513400.db2.gz LFTNNDUMWJZGRK-CYBMUJFWSA-N 1 0 367.471 2.282 20 5 FEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000540021651 673519258 /nfs/dbraw/zinc/51/92/58/673519258.db2.gz VGPOVCREMNAHTG-GHMZBOCLSA-N 1 0 370.247 2.451 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540476419 673541437 /nfs/dbraw/zinc/54/14/37/673541437.db2.gz NMGHOXRSDQXYMF-JKQORVJESA-N 1 0 351.447 2.024 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598573818 673585263 /nfs/dbraw/zinc/58/52/63/673585263.db2.gz PFOQTHSXJXDJND-AWEZNQCLSA-N 1 0 367.471 2.293 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1OC ZINC000598577107 673585637 /nfs/dbraw/zinc/58/56/37/673585637.db2.gz VQCUIZLUFARFMK-ZDUSSCGKSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598619392 673591335 /nfs/dbraw/zinc/59/13/35/673591335.db2.gz RFRVPDWBOAXHRL-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598667478 673596192 /nfs/dbraw/zinc/59/61/92/673596192.db2.gz IQWBSJAFAYXOLI-LKFCYVNXSA-N 1 0 354.204 2.311 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c(C)c1[N+](=O)[O-] ZINC000598720173 673603143 /nfs/dbraw/zinc/60/31/43/673603143.db2.gz LBTZUCIVPCGUIZ-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598985336 673626491 /nfs/dbraw/zinc/62/64/91/673626491.db2.gz OESKHCZIWYJCPI-AWEZNQCLSA-N 1 0 350.419 2.005 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000599161550 673637503 /nfs/dbraw/zinc/63/75/03/673637503.db2.gz ZZNXNGDDZCXDIJ-UHFFFAOYSA-N 1 0 363.443 2.291 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000740840724 673656759 /nfs/dbraw/zinc/65/67/59/673656759.db2.gz CTLYEWVKKAJVNG-STQMWFEESA-N 1 0 353.394 2.444 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000599389783 673668034 /nfs/dbraw/zinc/66/80/34/673668034.db2.gz AJVONFDCHGDUFX-HNNXBMFYSA-N 1 0 353.444 2.280 20 5 FEBDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000599543280 673689813 /nfs/dbraw/zinc/68/98/13/673689813.db2.gz OVGQYWXZWAKOLC-OAHLLOKOSA-N 1 0 350.415 2.357 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625077 673698784 /nfs/dbraw/zinc/69/87/84/673698784.db2.gz LHIXCMIYKPYVGK-QLQJRFMMSA-N 1 0 351.403 2.334 20 5 FEBDRO CC[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544598003 673719852 /nfs/dbraw/zinc/71/98/52/673719852.db2.gz UBRVPVYHXXPNNZ-HIFRSBDPSA-N 1 0 356.444 2.163 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599827598 673721159 /nfs/dbraw/zinc/72/11/59/673721159.db2.gz NMRZZJCBPUOHAS-UHFFFAOYSA-N 1 0 354.204 2.135 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000545174367 673749156 /nfs/dbraw/zinc/74/91/56/673749156.db2.gz FWGHSEFICYQSJN-UHFFFAOYSA-N 1 0 365.455 2.061 20 5 FEBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600210236 673749268 /nfs/dbraw/zinc/74/92/68/673749268.db2.gz QVBFGPMSTRVJEV-XOUADPBQSA-N 1 0 352.456 2.471 20 5 FEBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000600761548 673797269 /nfs/dbraw/zinc/79/72/69/673797269.db2.gz KZAGVKPBSBBTEB-DJIMGWMZSA-N 1 0 354.451 2.116 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000546776434 673817635 /nfs/dbraw/zinc/81/76/35/673817635.db2.gz FNKUMNSTYORHAG-HIFRSBDPSA-N 1 0 355.460 2.229 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601338377 673844581 /nfs/dbraw/zinc/84/45/81/673844581.db2.gz TURDMLNWQVRAGE-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])s1 ZINC000601344430 673845769 /nfs/dbraw/zinc/84/57/69/673845769.db2.gz ZIUPECOHQXJYND-ZDUSSCGKSA-N 1 0 373.500 2.365 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000746380592 673875144 /nfs/dbraw/zinc/87/51/44/673875144.db2.gz BMDIWNXKIULMON-LBPRGKRZSA-N 1 0 372.267 2.175 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccsc1 ZINC000547730369 673884415 /nfs/dbraw/zinc/88/44/15/673884415.db2.gz RYVPRBIDIQGVRE-ZDUSSCGKSA-N 1 0 363.443 2.446 20 5 FEBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000602434318 673906339 /nfs/dbraw/zinc/90/63/39/673906339.db2.gz UZNNCDOBNNISRG-ZJUUUORDSA-N 1 0 356.220 2.475 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000602509000 673907006 /nfs/dbraw/zinc/90/70/06/673907006.db2.gz FFWMOKFVYKZNRD-ZJUUUORDSA-N 1 0 356.220 2.414 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CCN2CCCOCC2)cc1Br ZINC000602661858 673909172 /nfs/dbraw/zinc/90/91/72/673909172.db2.gz HEBPVWSUMUDYFI-UHFFFAOYSA-N 1 0 364.265 2.231 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000602694354 673909387 /nfs/dbraw/zinc/90/93/87/673909387.db2.gz LPFIQGKDLNYFMO-NSHDSACASA-N 1 0 356.308 2.095 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000602804401 673911327 /nfs/dbraw/zinc/91/13/27/673911327.db2.gz FIKIKLGZKCFIQW-CYBMUJFWSA-N 1 0 369.219 2.185 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000747373494 673924357 /nfs/dbraw/zinc/92/43/57/673924357.db2.gz FXHIYQWMRBZWEJ-UHOFOFEASA-N 1 0 351.378 2.058 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000818981892 675249363 /nfs/dbraw/zinc/24/93/63/675249363.db2.gz XXEVKQAMIMZBDY-QGZVFWFLSA-N 1 0 364.423 2.082 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000819197768 675268980 /nfs/dbraw/zinc/26/89/80/675268980.db2.gz LUDMVQIKJXHIRG-AWEZNQCLSA-N 1 0 353.325 2.457 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000567501311 675298574 /nfs/dbraw/zinc/29/85/74/675298574.db2.gz MKPYIYDKPOQEAL-QGZVFWFLSA-N 1 0 361.423 2.150 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761624 676226485 /nfs/dbraw/zinc/22/64/85/676226485.db2.gz XKAFYVKEZPPFBI-CYBMUJFWSA-N 1 0 358.485 2.490 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000823672997 675566489 /nfs/dbraw/zinc/56/64/89/675566489.db2.gz HTDILSGCHVOALK-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCN1 ZINC000825148293 675638889 /nfs/dbraw/zinc/63/88/89/675638889.db2.gz SIJNZGVNYOZHIS-CQSZACIVSA-N 1 0 366.849 2.035 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827266958 675743919 /nfs/dbraw/zinc/74/39/19/675743919.db2.gz MBHOHCNJMGBWOM-IINYFYTJSA-N 1 0 355.797 2.482 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000827349102 675750059 /nfs/dbraw/zinc/75/00/59/675750059.db2.gz GDVDGWFHAKCPNW-UHFFFAOYSA-N 1 0 355.460 2.307 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000827474202 675758929 /nfs/dbraw/zinc/75/89/29/675758929.db2.gz TVMNUNFWDUMZSH-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483810 676379982 /nfs/dbraw/zinc/37/99/82/676379982.db2.gz QTXLNBSPAKGGDT-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000619789202 676394878 /nfs/dbraw/zinc/39/48/78/676394878.db2.gz ZUJKRRZFTUTISA-UHFFFAOYSA-N 1 0 351.794 2.175 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000830462002 677041025 /nfs/dbraw/zinc/04/10/25/677041025.db2.gz KWEINLXZEKQFBR-SNVBAGLBSA-N 1 0 371.235 2.309 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839529403 680759644 /nfs/dbraw/zinc/75/96/44/680759644.db2.gz GPFHOJVZZXXBBQ-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@@H]1OCC[C@H]1N(CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589465 680764192 /nfs/dbraw/zinc/76/41/92/680764192.db2.gz MBWLVRONOVMPIH-CMPLNLGQSA-N 1 0 359.220 2.329 20 5 FEBDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840254083 680810300 /nfs/dbraw/zinc/81/03/00/680810300.db2.gz RXEILGMXNKLLMJ-IUODEOHRSA-N 1 0 352.822 2.086 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841069663 680861694 /nfs/dbraw/zinc/86/16/94/680861694.db2.gz BWYCGFOTWPKJKO-CYBMUJFWSA-N 1 0 366.771 2.174 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000748098658 679930510 /nfs/dbraw/zinc/93/05/10/679930510.db2.gz KUWLQEQNBVWYKP-BDJLRTHQSA-N 1 0 366.805 2.058 20 5 FEBDRO CCO[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831746552 680037287 /nfs/dbraw/zinc/03/72/87/680037287.db2.gz YJPUNVVINDQYLG-LLVKDONJSA-N 1 0 363.336 2.310 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063480 680193327 /nfs/dbraw/zinc/19/33/27/680193327.db2.gz BXKHKXJWEYCJRP-GFQSEFKGSA-N 1 0 358.225 2.395 20 5 FEBDRO COc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428843 680332173 /nfs/dbraw/zinc/33/21/73/680332173.db2.gz ITRZPQVQZAUIDB-IUODEOHRSA-N 1 0 367.833 2.094 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000754383363 680353200 /nfs/dbraw/zinc/35/32/00/680353200.db2.gz OAKPFBRQWXPROH-ZDUSSCGKSA-N 1 0 365.411 2.317 20 5 FEBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754516370 680361132 /nfs/dbraw/zinc/36/11/32/680361132.db2.gz MASUHHTUWJOLGP-ZDUSSCGKSA-N 1 0 355.778 2.118 20 5 FEBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000754542213 680362064 /nfs/dbraw/zinc/36/20/64/680362064.db2.gz UBPVBFPWXGISNA-GFCCVEGCSA-N 1 0 355.778 2.118 20 5 FEBDRO CCOc1cc(C[NH2+][C@]2(CC(=O)OC)CCCOC2)ccc1[N+](=O)[O-] ZINC000755053651 680396252 /nfs/dbraw/zinc/39/62/52/680396252.db2.gz CACKEKIMRUVXDK-KRWDZBQOSA-N 1 0 352.387 2.195 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368217 680458813 /nfs/dbraw/zinc/45/88/13/680458813.db2.gz MNZNUTCKJNGBGN-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCc2ccsc2)CC1 ZINC001005383148 680573734 /nfs/dbraw/zinc/57/37/34/680573734.db2.gz UNKNNWVCSNORTK-HZPDHXFCSA-N 1 0 351.472 2.269 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000841454719 680883169 /nfs/dbraw/zinc/88/31/69/680883169.db2.gz BCLPMOYLVOFXOF-UHFFFAOYSA-N 1 0 354.794 2.031 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841523799 680891527 /nfs/dbraw/zinc/89/15/27/680891527.db2.gz GIIGLPZUYGKACQ-QMMMGPOBSA-N 1 0 368.242 2.132 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000842726874 680962417 /nfs/dbraw/zinc/96/24/17/680962417.db2.gz QHNGDSGCUNDJTC-WDEREUQCSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])c1 ZINC000842860007 680971723 /nfs/dbraw/zinc/97/17/23/680971723.db2.gz OUMFMQPYJCVGIA-NSHDSACASA-N 1 0 361.851 2.449 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H](O)c2ccccc2)cc1 ZINC000843088611 680986850 /nfs/dbraw/zinc/98/68/50/680986850.db2.gz PGCRXOHYQIZCPP-KRWDZBQOSA-N 1 0 364.423 2.082 20 5 FEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843478725 681006144 /nfs/dbraw/zinc/00/61/44/681006144.db2.gz JKHJHKWTXBIXDX-NSHDSACASA-N 1 0 372.194 2.368 20 5 FEBDRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000771809115 681071123 /nfs/dbraw/zinc/07/11/23/681071123.db2.gz QRDIPYSUYASROI-CYBMUJFWSA-N 1 0 362.411 2.017 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000846973578 681314920 /nfs/dbraw/zinc/31/49/20/681314920.db2.gz QBCJBMWPAHOKLW-ZDUSSCGKSA-N 1 0 350.375 2.368 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847306216 681360607 /nfs/dbraw/zinc/36/06/07/681360607.db2.gz RAJWKQDGTWFJPD-UHFFFAOYSA-N 1 0 365.821 2.279 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776497007 681396406 /nfs/dbraw/zinc/39/64/06/681396406.db2.gz BXLBRDXDOBFDEX-WFASDCNBSA-N 1 0 374.846 2.074 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000912812777 685446093 /nfs/dbraw/zinc/44/60/93/685446093.db2.gz AVALEBCVLLPMBS-HIFRSBDPSA-N 1 0 351.451 2.069 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334836 681554002 /nfs/dbraw/zinc/55/40/02/681554002.db2.gz XLAAOOFNVGWABG-ZIAGYGMSSA-N 1 0 363.439 2.356 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000848474808 681557820 /nfs/dbraw/zinc/55/78/20/681557820.db2.gz IOHSTULCWHCRMA-DTORHVGOSA-N 1 0 365.814 2.006 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915190 685466673 /nfs/dbraw/zinc/46/66/73/685466673.db2.gz DBIZPQPHXBJYHH-NSHDSACASA-N 1 0 354.204 2.278 20 5 FEBDRO CC1([NH2+]Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107625 682030098 /nfs/dbraw/zinc/03/00/98/682030098.db2.gz LFBJPMATJUWFAA-HUUCEWRRSA-N 1 0 351.834 2.476 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000851820647 682147392 /nfs/dbraw/zinc/14/73/92/682147392.db2.gz DRLLHQGCNYTPIE-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000917660819 685533689 /nfs/dbraw/zinc/53/36/89/685533689.db2.gz GGBWKXVADUOECJ-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853131590 682380436 /nfs/dbraw/zinc/38/04/36/682380436.db2.gz RCSSCDDDZRFOIP-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000854643863 682574350 /nfs/dbraw/zinc/57/43/50/682574350.db2.gz ZJDMWAVLHSNAOO-HOCLYGCPSA-N 1 0 367.833 2.492 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790661117 682692861 /nfs/dbraw/zinc/69/28/61/682692861.db2.gz BEDVJHMPEWSSQI-LBPRGKRZSA-N 1 0 373.812 2.157 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000856734756 682801062 /nfs/dbraw/zinc/80/10/62/682801062.db2.gz GIFLBCOGUWJDIA-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000857233924 682867642 /nfs/dbraw/zinc/86/76/42/682867642.db2.gz ICJUNAOUWFNZJM-IINYFYTJSA-N 1 0 359.835 2.059 20 5 FEBDRO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000793346133 682883671 /nfs/dbraw/zinc/88/36/71/682883671.db2.gz CNWUVLXQUZKJOH-BLLLJJGKSA-N 1 0 354.790 2.260 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796205317 683140490 /nfs/dbraw/zinc/14/04/90/683140490.db2.gz XXZCQKXOOJZSOQ-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294665 683332224 /nfs/dbraw/zinc/33/22/24/683332224.db2.gz HPJXXODAFPHDBJ-JOYOIKCWSA-N 1 0 371.235 2.165 20 5 FEBDRO CS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000800078026 683529839 /nfs/dbraw/zinc/52/98/39/683529839.db2.gz GQPUCYSCQOVXRD-UHFFFAOYSA-N 1 0 370.427 2.031 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000862236568 683556126 /nfs/dbraw/zinc/55/61/26/683556126.db2.gz OIDMOYDRHVTKHR-GFCCVEGCSA-N 1 0 355.822 2.431 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000929832717 683644610 /nfs/dbraw/zinc/64/46/10/683644610.db2.gz DZBSSPGTYLUKGR-SKDRFNHKSA-N 1 0 356.329 2.364 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccsc1 ZINC000930218403 683695075 /nfs/dbraw/zinc/69/50/75/683695075.db2.gz MQINNUOGEDOJGX-CQSZACIVSA-N 1 0 365.459 2.361 20 5 FEBDRO COc1ccc(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000922418747 683718616 /nfs/dbraw/zinc/71/86/16/683718616.db2.gz BEQYWSZCGBPQKD-UHFFFAOYSA-N 1 0 356.444 2.296 20 5 FEBDRO COc1cc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c([N+](=O)[O-])cc1OC ZINC000922611970 683753749 /nfs/dbraw/zinc/75/37/49/683753749.db2.gz RJUDWRHMKNEMOD-QGZVFWFLSA-N 1 0 354.403 2.286 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000864939820 683911654 /nfs/dbraw/zinc/91/16/54/683911654.db2.gz HDABQYTZGVTTJY-AWEZNQCLSA-N 1 0 370.247 2.356 20 5 FEBDRO C[N@H+](CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865003986 683921451 /nfs/dbraw/zinc/92/14/51/683921451.db2.gz SFDDAZWMHPEHDH-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931296454 684257329 /nfs/dbraw/zinc/25/73/29/684257329.db2.gz HKBYZIUUCOXRGV-STQMWFEESA-N 1 0 368.821 2.311 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923704594 684336072 /nfs/dbraw/zinc/33/60/72/684336072.db2.gz XZQDTEXBSZCYAM-CQSZACIVSA-N 1 0 367.471 2.385 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c(Cl)c1 ZINC000923731866 684341830 /nfs/dbraw/zinc/34/18/30/684341830.db2.gz PIMDAOVOUWHBLY-CQSZACIVSA-N 1 0 359.835 2.155 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000931960488 684376186 /nfs/dbraw/zinc/37/61/86/684376186.db2.gz HIIANTWJQDVOCD-UHFFFAOYSA-N 1 0 358.801 2.383 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867812317 684397038 /nfs/dbraw/zinc/39/70/38/684397038.db2.gz JORMSFLECSCYMW-YPMHNXCESA-N 1 0 373.862 2.271 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813573 684397522 /nfs/dbraw/zinc/39/75/22/684397522.db2.gz XYJVRVAEFGTUPX-AAEUAGOBSA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000868513928 684504428 /nfs/dbraw/zinc/50/44/28/684504428.db2.gz RTCYGTFLGXIUJN-SNVBAGLBSA-N 1 0 358.236 2.214 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925762978 684583262 /nfs/dbraw/zinc/58/32/62/684583262.db2.gz PQCYREAZWIUSHN-GSZDYRQJSA-N 1 0 352.232 2.443 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872661844 684999248 /nfs/dbraw/zinc/99/92/48/684999248.db2.gz DEKDQFXSGYSFBU-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000873100741 685070872 /nfs/dbraw/zinc/07/08/72/685070872.db2.gz CSPSIEPKZFQABO-YOEHRIQHSA-N 1 0 368.455 2.038 20 5 FEBDRO COC[C@@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCC[NH2+]1 ZINC000876568424 686221562 /nfs/dbraw/zinc/22/15/62/686221562.db2.gz MLKRGDXTOKMCKP-MRXNPFEDSA-N 1 0 355.822 2.365 20 5 FEBDRO CC(C)(C)[S@@](=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877054990 686319409 /nfs/dbraw/zinc/31/94/09/686319409.db2.gz JQEMELWPUCYHPR-DEOSSOPVSA-N 1 0 354.476 2.095 20 5 FEBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000877189648 686337794 /nfs/dbraw/zinc/33/77/94/686337794.db2.gz QWOSKSTVSBWCHM-UHFFFAOYSA-N 1 0 354.204 2.453 20 5 FEBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000877254624 686343483 /nfs/dbraw/zinc/34/34/83/686343483.db2.gz YTUXHHLDOIUXDV-SECBINFHSA-N 1 0 356.220 2.475 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877277098 686347247 /nfs/dbraw/zinc/34/72/47/686347247.db2.gz FCSOTWOWFZYXPY-UONOGXRCSA-N 1 0 368.231 2.253 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000877360064 686362665 /nfs/dbraw/zinc/36/26/65/686362665.db2.gz VUTLCBDXVWOMBQ-GHMZBOCLSA-N 1 0 361.320 2.121 20 5 FEBDRO CCS(=O)(=O)NC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877525338 686401687 /nfs/dbraw/zinc/40/16/87/686401687.db2.gz ZWOXKIIIIQGFOK-UHFFFAOYSA-N 1 0 355.460 2.115 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768989 687480831 /nfs/dbraw/zinc/48/08/31/687480831.db2.gz CQGLBAGNTWVTHW-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)n1 ZINC000883361581 687613782 /nfs/dbraw/zinc/61/37/82/687613782.db2.gz HCJSUDMWULHERE-OPRDCNLKSA-N 1 0 372.294 2.423 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000883478962 687643534 /nfs/dbraw/zinc/64/35/34/687643534.db2.gz HKYRGYWTJYLSSM-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1csc(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000886691612 688289794 /nfs/dbraw/zinc/28/97/94/688289794.db2.gz IOTPOAXJWYAWMT-CQSZACIVSA-N 1 0 362.455 2.476 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000886899572 688336548 /nfs/dbraw/zinc/33/65/48/688336548.db2.gz OIJMUDDOJCTEML-MRXNPFEDSA-N 1 0 353.444 2.058 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899672 688336662 /nfs/dbraw/zinc/33/66/62/688336662.db2.gz QWTSMCSGTXNESJ-HNNXBMFYSA-N 1 0 373.862 2.403 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@@H]1CCCC[NH2+]1 ZINC000891972557 689134406 /nfs/dbraw/zinc/13/44/06/689134406.db2.gz IECJRVYWLZOKRV-LBPRGKRZSA-N 1 0 371.235 2.299 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3CCC4(C[C@H]3F)OCCO4)CC2)n1 ZINC000894080208 689462189 /nfs/dbraw/zinc/46/21/89/689462189.db2.gz VSVXIYLJWJTQFR-KGLIPLIRSA-N 1 0 354.382 2.062 20 5 FEBDRO CS(=O)(=O)C1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000894082423 689462385 /nfs/dbraw/zinc/46/23/85/689462385.db2.gz WMSFFGSHADUWJQ-UHFFFAOYSA-N 1 0 352.334 2.279 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCC4(CCOCC4)CO3)C2)c1 ZINC000895535664 689731777 /nfs/dbraw/zinc/73/17/77/689731777.db2.gz CCCWZNBHWDKDAS-ZBCRRDGASA-N 1 0 350.419 2.060 20 5 FEBDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc([N+](=O)[O-])c1 ZINC000903117706 690846765 /nfs/dbraw/zinc/84/67/65/690846765.db2.gz FMMXGAGIQBYRJV-ZANVPECISA-N 1 0 361.320 2.417 20 5 FEBDRO CO[C@@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364100 690886379 /nfs/dbraw/zinc/88/63/79/690886379.db2.gz UIUAFAXPHQJWIR-NVXWUHKLSA-N 1 0 368.455 2.111 20 5 FEBDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000903464953 690897232 /nfs/dbraw/zinc/89/72/32/690897232.db2.gz CLPNHAVWNCOJEB-QMTHXVAHSA-N 1 0 352.822 2.449 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000905358286 691108279 /nfs/dbraw/zinc/10/82/79/691108279.db2.gz GLVCMEQBDQMWFD-MRXNPFEDSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000905428807 691117361 /nfs/dbraw/zinc/11/73/61/691117361.db2.gz WPQQMAOQUQXHCU-HIFRSBDPSA-N 1 0 373.247 2.359 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000905598710 691149038 /nfs/dbraw/zinc/14/90/38/691149038.db2.gz WTIDTBCHRFDWRX-GJZGRUSLSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1 ZINC000905622637 691153079 /nfs/dbraw/zinc/15/30/79/691153079.db2.gz DIHDCWQYAVCANB-OAHLLOKOSA-N 1 0 368.455 2.450 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851766 691182724 /nfs/dbraw/zinc/18/27/24/691182724.db2.gz CXAFETVJXCGZMJ-APHBMKBZSA-N 1 0 364.471 2.091 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906676777 691300852 /nfs/dbraw/zinc/30/08/52/691300852.db2.gz OKTKCBFVUKZQDP-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000907067772 691386217 /nfs/dbraw/zinc/38/62/17/691386217.db2.gz JOYOPFGBUOQBJJ-OAHLLOKOSA-N 1 0 369.849 2.144 20 5 FEBDRO C[NH+](C)C1CC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000908011559 691597963 /nfs/dbraw/zinc/59/79/63/691597963.db2.gz GYBHRHZNDXVXFE-UHFFFAOYSA-N 1 0 356.220 2.109 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000908421118 691676843 /nfs/dbraw/zinc/67/68/43/691676843.db2.gz AQVJOZJSGMLAMH-INIZCTEOSA-N 1 0 352.822 2.388 20 5 FEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626978 719054200 /nfs/dbraw/zinc/05/42/00/719054200.db2.gz SSRHCYMPRRFRHS-SJLPKXTDSA-N 1 0 354.410 2.329 20 5 FEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001164728504 720508561 /nfs/dbraw/zinc/50/85/61/720508561.db2.gz GCAGYEBNVKZLEK-LLVKDONJSA-N 1 0 350.810 2.038 20 5 FEBDRO Cc1ncc([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862990 720952974 /nfs/dbraw/zinc/95/29/74/720952974.db2.gz XOHRKQHIDZWXRU-GFCCVEGCSA-N 1 0 359.434 2.311 20 5 FEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485393937 852139438 /nfs/dbraw/zinc/13/94/38/852139438.db2.gz DSQKNIWCPHDOOW-HNNXBMFYSA-N 1 0 359.405 2.454 20 5 FEBDRO CS(=O)(=O)c1cc(C(=O)OCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000800150278 674025873 /nfs/dbraw/zinc/02/58/73/674025873.db2.gz JRKIJUZIQBPKKF-UHFFFAOYSA-N 1 0 370.427 2.031 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000819692596 675309573 /nfs/dbraw/zinc/30/95/73/675309573.db2.gz RHPVDHGBCMAJRL-UHFFFAOYSA-N 1 0 372.219 2.421 20 5 FEBDRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000014519672 539603412 /nfs/dbraw/zinc/60/34/12/539603412.db2.gz ZYLIYLCKVONJNA-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000028013604 539823662 /nfs/dbraw/zinc/82/36/62/539823662.db2.gz NRVKAYDBKVFDJY-ZDUSSCGKSA-N 1 0 355.822 2.335 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000028962931 539840134 /nfs/dbraw/zinc/84/01/34/539840134.db2.gz KKFHWGFGCRMBFE-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030285118 539877721 /nfs/dbraw/zinc/87/77/21/539877721.db2.gz BBFAPGUFHIRZFN-UHFFFAOYSA-N 1 0 374.441 2.222 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000032297130 539933259 /nfs/dbraw/zinc/93/32/59/539933259.db2.gz IBZQZLBDIFZJOE-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO CCOc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000046957201 540280253 /nfs/dbraw/zinc/28/02/53/540280253.db2.gz ODNNLJJEIYKCTC-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000049131549 540382004 /nfs/dbraw/zinc/38/20/04/540382004.db2.gz ARGMUGVKVNFEDQ-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO CCOCCCNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052673184 540481004 /nfs/dbraw/zinc/48/10/04/540481004.db2.gz RZIDBTWKSIELFX-UHFFFAOYSA-N 1 0 363.458 2.392 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052488784 540467859 /nfs/dbraw/zinc/46/78/59/540467859.db2.gz YCGUURYVZGIZAW-ZDUSSCGKSA-N 1 0 370.475 2.037 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000065424206 541237123 /nfs/dbraw/zinc/23/71/23/541237123.db2.gz QNXFTMXYRYYRRX-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000065769628 541259750 /nfs/dbraw/zinc/25/97/50/541259750.db2.gz DIZVFWRVQKORST-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000065685355 541253331 /nfs/dbraw/zinc/25/33/31/541253331.db2.gz QNKMZEWPIWTFAB-UHFFFAOYSA-N 1 0 353.444 2.062 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333515 541303292 /nfs/dbraw/zinc/30/32/92/541303292.db2.gz FLGYKSSMOQBTJY-RYUDHWBXSA-N 1 0 361.489 2.303 20 5 FEBDRO O=C(CN1CCC([NH+]2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066533288 541332658 /nfs/dbraw/zinc/33/26/58/541332658.db2.gz NAVBOCPAQQGIEC-UHFFFAOYSA-N 1 0 358.442 2.044 20 5 FEBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066537191 541333705 /nfs/dbraw/zinc/33/37/05/541333705.db2.gz SJHUNCUXIBQNOK-QGZVFWFLSA-N 1 0 358.442 2.044 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145815 541424125 /nfs/dbraw/zinc/42/41/25/541424125.db2.gz IACPMTXSLCPGIM-ZIAGYGMSSA-N 1 0 372.429 2.026 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067149199 541425640 /nfs/dbraw/zinc/42/56/40/541425640.db2.gz IJOLWSJKNJWDAQ-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000068024785 541540279 /nfs/dbraw/zinc/54/02/79/541540279.db2.gz DRGTVVXLTAZQOH-IBGZPJMESA-N 1 0 368.437 2.313 20 5 FEBDRO C[C@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000068291013 541572413 /nfs/dbraw/zinc/57/24/13/541572413.db2.gz ZXZVPTCJAMQKRU-CQSZACIVSA-N 1 0 363.414 2.024 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000068905541 541639394 /nfs/dbraw/zinc/63/93/94/541639394.db2.gz PQDIVLLKNRJSQI-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531045 541694889 /nfs/dbraw/zinc/69/48/89/541694889.db2.gz OSSJIKFNYTWAOQ-UKRRQHHQSA-N 1 0 367.471 2.302 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069711292 541706503 /nfs/dbraw/zinc/70/65/03/541706503.db2.gz GYODLCQTKCWJMB-JZLODUJNSA-N 1 0 359.426 2.179 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000072717069 541856744 /nfs/dbraw/zinc/85/67/44/541856744.db2.gz ARABYFFVLHJOAL-UHFFFAOYSA-N 1 0 373.475 2.391 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000074971035 542143060 /nfs/dbraw/zinc/14/30/60/542143060.db2.gz IDNROWVBDXZEKA-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000075636967 542194657 /nfs/dbraw/zinc/19/46/57/542194657.db2.gz KQCSIHWJOQJPHZ-LJQANCHMSA-N 1 0 374.441 2.203 20 5 FEBDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075766948 542202650 /nfs/dbraw/zinc/20/26/50/542202650.db2.gz XDUMSNRJFBRXRR-AAEUAGOBSA-N 1 0 353.448 2.173 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000077010000 542341926 /nfs/dbraw/zinc/34/19/26/542341926.db2.gz HVUAHQKZMNELKW-UHFFFAOYSA-N 1 0 350.375 2.369 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000077315504 542365496 /nfs/dbraw/zinc/36/54/96/542365496.db2.gz SKTZFKHGBMLMBA-INIZCTEOSA-N 1 0 374.441 2.453 20 5 FEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077314801 542365990 /nfs/dbraw/zinc/36/59/90/542365990.db2.gz CRCPOJBRZPPMEW-KRWDZBQOSA-N 1 0 358.442 2.044 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000077910339 542430989 /nfs/dbraw/zinc/43/09/89/542430989.db2.gz ZJIWJIYBACWROW-UHFFFAOYSA-N 1 0 350.419 2.476 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079896025 542548871 /nfs/dbraw/zinc/54/88/71/542548871.db2.gz FJJGGFQQBFMFNC-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154516 542569256 /nfs/dbraw/zinc/56/92/56/542569256.db2.gz XVRGIONVYAEPRL-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000081122184 542634648 /nfs/dbraw/zinc/63/46/48/542634648.db2.gz ISQLCNDWKPYLBL-INIZCTEOSA-N 1 0 371.441 2.259 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000089265926 542759534 /nfs/dbraw/zinc/75/95/34/542759534.db2.gz NKLXPOAOGOCTPC-CYBMUJFWSA-N 1 0 358.398 2.217 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000802138089 674163328 /nfs/dbraw/zinc/16/33/28/674163328.db2.gz YNMOTHCXUSPDME-AWEZNQCLSA-N 1 0 354.428 2.339 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092665015 542879653 /nfs/dbraw/zinc/87/96/53/542879653.db2.gz VNLPRHUTRUJLOB-UHFFFAOYSA-N 1 0 359.358 2.460 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)nc1 ZINC000093534736 542934099 /nfs/dbraw/zinc/93/40/99/542934099.db2.gz NQSJQNLJCWYLNX-OAHLLOKOSA-N 1 0 365.397 2.257 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093740440 542938907 /nfs/dbraw/zinc/93/89/07/542938907.db2.gz YMNYHXHTDNUBBK-CYBMUJFWSA-N 1 0 359.373 2.085 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000247449511 549334610 /nfs/dbraw/zinc/33/46/10/549334610.db2.gz YZAIBVLZUWKHJF-KBXCAEBGSA-N 1 0 369.425 2.337 20 5 FEBDRO C[C@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000104683941 543137466 /nfs/dbraw/zinc/13/74/66/543137466.db2.gz OGNNXYCWBKUJSQ-AWEZNQCLSA-N 1 0 361.442 2.499 20 5 FEBDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000104922784 543150632 /nfs/dbraw/zinc/15/06/32/543150632.db2.gz HUICUJUMQKIYBU-UHFFFAOYSA-N 1 0 369.421 2.482 20 5 FEBDRO CCOC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000108721110 543300627 /nfs/dbraw/zinc/30/06/27/543300627.db2.gz NGZVPGFAYUAFET-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000111266367 543390526 /nfs/dbraw/zinc/39/05/26/543390526.db2.gz OOSGQRLWYMZVQS-JTQLQIEISA-N 1 0 373.356 2.163 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111541322 543406192 /nfs/dbraw/zinc/40/61/92/543406192.db2.gz XQSPCPXQPQCHRF-CYBMUJFWSA-N 1 0 372.425 2.431 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112917596 543467692 /nfs/dbraw/zinc/46/76/92/543467692.db2.gz CLHYORIZROQQTO-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000112917603 543467864 /nfs/dbraw/zinc/46/78/64/543467864.db2.gz NWJMGYIJCDWPEZ-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000113197969 543476624 /nfs/dbraw/zinc/47/66/24/543476624.db2.gz GJYOKXCZGZASRK-HNNXBMFYSA-N 1 0 372.429 2.170 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073062 543503089 /nfs/dbraw/zinc/50/30/89/543503089.db2.gz JYYGPIOYSZWQJD-ZBFHGGJFSA-N 1 0 363.414 2.188 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000114140505 543505094 /nfs/dbraw/zinc/50/50/94/543505094.db2.gz NCOZGVSQRDFEPK-HNNXBMFYSA-N 1 0 351.403 2.088 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114140704 543505367 /nfs/dbraw/zinc/50/53/67/543505367.db2.gz HPGBCWKFTAFHTF-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115273266 543556808 /nfs/dbraw/zinc/55/68/08/543556808.db2.gz KIUBCFPDLUNXBZ-WBVHZDCISA-N 1 0 363.458 2.391 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000552096207 674186977 /nfs/dbraw/zinc/18/69/77/674186977.db2.gz VBDVAEMNJZPBNY-ZIAGYGMSSA-N 1 0 370.475 2.222 20 5 FEBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000121405222 543694033 /nfs/dbraw/zinc/69/40/33/543694033.db2.gz LIHKKKPJGPSTMR-NSHDSACASA-N 1 0 356.810 2.338 20 5 FEBDRO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000122885273 543729881 /nfs/dbraw/zinc/72/98/81/543729881.db2.gz HQPLJYSTVRFSER-SFHVURJKSA-N 1 0 358.442 2.118 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122905574 543730782 /nfs/dbraw/zinc/73/07/82/543730782.db2.gz IZLGDEXGSUWORB-ZDUSSCGKSA-N 1 0 355.460 2.450 20 5 FEBDRO COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000124145420 543803485 /nfs/dbraw/zinc/80/34/85/543803485.db2.gz LIUUANOCGMTESS-SFHVURJKSA-N 1 0 371.393 2.443 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000125336848 543876143 /nfs/dbraw/zinc/87/61/43/543876143.db2.gz BFQRWUKYRLYIND-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000128299762 544044870 /nfs/dbraw/zinc/04/48/70/544044870.db2.gz XYXYAZBHEDWCLO-UHFFFAOYSA-N 1 0 360.414 2.010 20 5 FEBDRO CCC1(CO)CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000128339970 544046899 /nfs/dbraw/zinc/04/68/99/544046899.db2.gz AYDOALPNKCOCNH-UHFFFAOYSA-N 1 0 363.414 2.377 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1 ZINC000128554319 544059092 /nfs/dbraw/zinc/05/90/92/544059092.db2.gz RCLXTNNEGWXWSL-OAHLLOKOSA-N 1 0 359.430 2.232 20 5 FEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129749475 544126001 /nfs/dbraw/zinc/12/60/01/544126001.db2.gz HPVRMIVCZNKXDB-SFHVURJKSA-N 1 0 361.442 2.273 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCn1ccnc1C ZINC000130779784 544164347 /nfs/dbraw/zinc/16/43/47/544164347.db2.gz VSNJIHFGGKWKHK-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000131293010 544184068 /nfs/dbraw/zinc/18/40/68/544184068.db2.gz WVJBOJUBRWQAFQ-HNNXBMFYSA-N 1 0 352.354 2.440 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896330 544169951 /nfs/dbraw/zinc/16/99/51/544169951.db2.gz DAOPBLHJERRXME-XHVZSJERSA-N 1 0 368.821 2.209 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131579608 544196688 /nfs/dbraw/zinc/19/66/88/544196688.db2.gz YTTOMKNCSPYRLR-KSSFIOAISA-N 1 0 350.415 2.146 20 5 FEBDRO COc1cc(OC)cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000132512566 544233815 /nfs/dbraw/zinc/23/38/15/544233815.db2.gz RERRAQKNJMRTNI-CQSZACIVSA-N 1 0 373.409 2.263 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000133759822 544282441 /nfs/dbraw/zinc/28/24/41/544282441.db2.gz XLSBJZFHYNUYKJ-OCCSQVGLSA-N 1 0 364.402 2.224 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000133803859 544283829 /nfs/dbraw/zinc/28/38/29/544283829.db2.gz FWMZLVAFWMQJDC-IYBDPMFKSA-N 1 0 360.458 2.225 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000133871909 544286543 /nfs/dbraw/zinc/28/65/43/544286543.db2.gz RCHBZBHDSFAGFN-OAHLLOKOSA-N 1 0 369.849 2.144 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000140023758 544406901 /nfs/dbraw/zinc/40/69/01/544406901.db2.gz ZYZDLSNGQUZGAX-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136834911 544379434 /nfs/dbraw/zinc/37/94/34/544379434.db2.gz QTVBEVROIXTZSK-CYBMUJFWSA-N 1 0 372.425 2.307 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000146246878 544438616 /nfs/dbraw/zinc/43/86/16/544438616.db2.gz IUHXPYSXWIBMTR-ZDUSSCGKSA-N 1 0 373.862 2.497 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148537478 544451799 /nfs/dbraw/zinc/45/17/99/544451799.db2.gz UYCWTMLXXUSWFS-FRRDWIJNSA-N 1 0 363.414 2.420 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151050703 544499877 /nfs/dbraw/zinc/49/98/77/544499877.db2.gz HROLHXNMFHKXSN-CYBMUJFWSA-N 1 0 370.247 2.452 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000151801174 544582519 /nfs/dbraw/zinc/58/25/19/544582519.db2.gz IVRPVKYPVYBFHN-KBPBESRZSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000153007761 544721604 /nfs/dbraw/zinc/72/16/04/544721604.db2.gz VNXWVFLTRSDQJI-CHWSQXEVSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000152988145 544719688 /nfs/dbraw/zinc/71/96/88/544719688.db2.gz BNSYYIUXFWDRIL-CHWSQXEVSA-N 1 0 355.398 2.136 20 5 FEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)COC2CCOCC2)C2CC2)c1 ZINC000153306054 544758489 /nfs/dbraw/zinc/75/84/89/544758489.db2.gz VNDCCUTWXZHZLH-QGZVFWFLSA-N 1 0 350.415 2.116 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc([N+](=O)[O-])c1 ZINC000154218303 544877492 /nfs/dbraw/zinc/87/74/92/544877492.db2.gz UBXZMZGGGQJGGH-JWTNVVGKSA-N 1 0 372.469 2.286 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000154399206 544901081 /nfs/dbraw/zinc/90/10/81/544901081.db2.gz QJHSQSZGCVCIFH-UHFFFAOYSA-N 1 0 353.444 2.111 20 5 FEBDRO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000154250884 544881162 /nfs/dbraw/zinc/88/11/62/544881162.db2.gz AETBFCYIRSUSHR-OALUTQOASA-N 1 0 360.410 2.138 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000154277504 544885329 /nfs/dbraw/zinc/88/53/29/544885329.db2.gz WUEHLGWTRJUNAL-INIZCTEOSA-N 1 0 365.478 2.425 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](C2CCOCC2)CC1 ZINC000154577262 544924283 /nfs/dbraw/zinc/92/42/83/544924283.db2.gz ZQSLWLVODXXOAE-UHFFFAOYSA-N 1 0 370.409 2.080 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000154694976 544937788 /nfs/dbraw/zinc/93/77/88/544937788.db2.gz WEDGPBWCULNXSF-CZUORRHYSA-N 1 0 355.460 2.087 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000183752454 327834048 /nfs/dbraw/zinc/83/40/48/327834048.db2.gz RQWXGIITPIGTPR-UHFFFAOYSA-N 1 0 369.425 2.214 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185174934 327904167 /nfs/dbraw/zinc/90/41/67/327904167.db2.gz RANOPVBTJSDJRG-UHFFFAOYSA-N 1 0 373.388 2.280 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000804441524 674287469 /nfs/dbraw/zinc/28/74/69/674287469.db2.gz MWPVKUJJINRYCY-UHFFFAOYSA-N 1 0 353.394 2.447 20 5 FEBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000185704425 327928718 /nfs/dbraw/zinc/92/87/18/327928718.db2.gz JGVPGFKSSFRPAY-UHFFFAOYSA-N 1 0 369.381 2.464 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186766749 327981270 /nfs/dbraw/zinc/98/12/70/327981270.db2.gz KUGDGJGVENFPPU-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188075646 328064284 /nfs/dbraw/zinc/06/42/84/328064284.db2.gz WDHNFGGXWCTKGL-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000188310658 328079643 /nfs/dbraw/zinc/07/96/43/328079643.db2.gz DVIQZQULITYWTH-UHFFFAOYSA-N 1 0 363.393 2.223 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188617975 328098962 /nfs/dbraw/zinc/09/89/62/328098962.db2.gz IUWGIVJJHPZGDM-GFCCVEGCSA-N 1 0 369.849 2.094 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000188918888 328117982 /nfs/dbraw/zinc/11/79/82/328117982.db2.gz YTPINKPFFJTNSM-UHFFFAOYSA-N 1 0 356.382 2.044 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000189144763 328131044 /nfs/dbraw/zinc/13/10/44/328131044.db2.gz WJCYGILVOFCKLP-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO C[N@H+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000189371625 328143869 /nfs/dbraw/zinc/14/38/69/328143869.db2.gz XDJMVHXLOBYFOO-UHFFFAOYSA-N 1 0 362.430 2.242 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000189810658 328169390 /nfs/dbraw/zinc/16/93/90/328169390.db2.gz WLKXRQOYICZZMQ-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191155698 328251977 /nfs/dbraw/zinc/25/19/77/328251977.db2.gz ZUBUMFYEDPLAFY-VXGBXAGGSA-N 1 0 351.403 2.166 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000191783555 328281629 /nfs/dbraw/zinc/28/16/29/328281629.db2.gz CWSCIDOLBUHJBY-STQMWFEESA-N 1 0 351.451 2.298 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192648904 328330587 /nfs/dbraw/zinc/33/05/87/328330587.db2.gz PMOXIYXGMUAVPN-KRWDZBQOSA-N 1 0 367.471 2.376 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192648892 328330642 /nfs/dbraw/zinc/33/06/42/328330642.db2.gz PMOXIYXGMUAVPN-QGZVFWFLSA-N 1 0 367.471 2.376 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000192728784 328335744 /nfs/dbraw/zinc/33/57/44/328335744.db2.gz JVRANGXLIICVGB-JKSUJKDBSA-N 1 0 359.430 2.167 20 5 FEBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193033250 328353208 /nfs/dbraw/zinc/35/32/08/328353208.db2.gz PSTMWAWKIWHLRL-YGRLFVJLSA-N 1 0 361.851 2.434 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000193430016 328374742 /nfs/dbraw/zinc/37/47/42/328374742.db2.gz BWKAESIYZAMRQE-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193516885 328379803 /nfs/dbraw/zinc/37/98/03/328379803.db2.gz RSFDRVGPMHMUFL-LJQANCHMSA-N 1 0 356.426 2.250 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000193546318 328381255 /nfs/dbraw/zinc/38/12/55/328381255.db2.gz UGPOCAYGBPXPMX-AWEZNQCLSA-N 1 0 362.430 2.424 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000193948717 328403704 /nfs/dbraw/zinc/40/37/04/328403704.db2.gz MDEFFEMNSQUXJI-UHFFFAOYSA-N 1 0 362.430 2.373 20 5 FEBDRO Cc1nn(C)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000194624900 328433083 /nfs/dbraw/zinc/43/30/83/328433083.db2.gz XFFJYVINYUCJFE-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000028485076 324441206 /nfs/dbraw/zinc/44/12/06/324441206.db2.gz AJKPTYMZEGIZTJ-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO Cc1c[nH+]ccc1NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000195339416 328473151 /nfs/dbraw/zinc/47/31/51/328473151.db2.gz MSYCYIVDBPIOJU-UHFFFAOYSA-N 1 0 350.400 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000030325109 324458075 /nfs/dbraw/zinc/45/80/75/324458075.db2.gz SVIWZEQVPQJHKC-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2C)[NH+](C)C)c1 ZINC000041903952 324516291 /nfs/dbraw/zinc/51/62/91/324516291.db2.gz KQTKKQNJWSTIAU-KRWDZBQOSA-N 1 0 358.398 2.340 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000046478902 324608696 /nfs/dbraw/zinc/60/86/96/324608696.db2.gz VOEAJBXAGUQKDE-UHFFFAOYSA-N 1 0 370.475 2.227 20 5 FEBDRO CCC1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000236643291 328490616 /nfs/dbraw/zinc/49/06/16/328490616.db2.gz KZFUSAGSLMKXHW-UHFFFAOYSA-N 1 0 355.460 2.432 20 5 FEBDRO C[C@@H](C[NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237398114 328514736 /nfs/dbraw/zinc/51/47/36/328514736.db2.gz DXJROBQXGINDGQ-QMMMGPOBSA-N 1 0 372.212 2.412 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078983284 325070067 /nfs/dbraw/zinc/07/00/67/325070067.db2.gz IJQGYDYFCYRPIX-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237506803 328518303 /nfs/dbraw/zinc/51/83/03/328518303.db2.gz OPOIHWLRAZOCDV-XPTSAGLGSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095751 325159775 /nfs/dbraw/zinc/15/97/75/325159775.db2.gz VCWNVIPCCCETAP-CJNGLKHVSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237636319 328523127 /nfs/dbraw/zinc/52/31/27/328523127.db2.gz SZICEXUYPSHYMQ-MRXNPFEDSA-N 1 0 357.414 2.020 20 5 FEBDRO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000083195986 325215795 /nfs/dbraw/zinc/21/57/95/325215795.db2.gz MOHWADUODLJAKB-CQSZACIVSA-N 1 0 362.430 2.162 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000085635822 325256668 /nfs/dbraw/zinc/25/66/68/325256668.db2.gz DESWTWSHPQJTGF-ZDUSSCGKSA-N 1 0 363.462 2.217 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000087354716 325280684 /nfs/dbraw/zinc/28/06/84/325280684.db2.gz HVOGPXMEFNHIGM-QGZVFWFLSA-N 1 0 361.442 2.098 20 5 FEBDRO Nc1ccc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000089393292 325314966 /nfs/dbraw/zinc/31/49/66/325314966.db2.gz GONPHDQUXRUASN-UHFFFAOYSA-N 1 0 355.398 2.218 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673380 325389368 /nfs/dbraw/zinc/38/93/68/325389368.db2.gz IDGHCBXMQDHTHW-GHMZBOCLSA-N 1 0 357.208 2.027 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107600088 325630974 /nfs/dbraw/zinc/63/09/74/325630974.db2.gz CFSSTJAKAKAXLC-KRWDZBQOSA-N 1 0 369.425 2.481 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000116360627 326009180 /nfs/dbraw/zinc/00/91/80/326009180.db2.gz PSDRGLQNSYMQDZ-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116731325 326031829 /nfs/dbraw/zinc/03/18/29/326031829.db2.gz WANVODXIVWYRKR-CQSZACIVSA-N 1 0 355.822 2.474 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000117259237 326053890 /nfs/dbraw/zinc/05/38/90/326053890.db2.gz NXLJEBDVLWZSOY-CYBMUJFWSA-N 1 0 360.414 2.142 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118125920 326083743 /nfs/dbraw/zinc/08/37/43/326083743.db2.gz LOEZKJDPZPEFEY-GFCCVEGCSA-N 1 0 368.821 2.177 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118126406 326084194 /nfs/dbraw/zinc/08/41/94/326084194.db2.gz QCHSPRWHRQRFEP-GFCCVEGCSA-N 1 0 368.821 2.177 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118787577 326102559 /nfs/dbraw/zinc/10/25/59/326102559.db2.gz NJPKCLCXBQDKKY-CQSZACIVSA-N 1 0 363.462 2.298 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000119129474 326129726 /nfs/dbraw/zinc/12/97/26/326129726.db2.gz USSJJAAGNMFJIH-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000119892004 326209484 /nfs/dbraw/zinc/20/94/84/326209484.db2.gz WBKFHZDCDRJWNS-UHFFFAOYSA-N 1 0 372.425 2.261 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000120120299 326232015 /nfs/dbraw/zinc/23/20/15/326232015.db2.gz RYDCFWXTFLCVEK-UHFFFAOYSA-N 1 0 370.409 2.398 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120921049 326299011 /nfs/dbraw/zinc/29/90/11/326299011.db2.gz OEUNFMUHNOSKBY-HZMBPMFUSA-N 1 0 350.375 2.224 20 5 FEBDRO C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124747951 326459473 /nfs/dbraw/zinc/45/94/73/326459473.db2.gz OWGCCCWVRJHVDJ-ACJLOTCBSA-N 1 0 362.430 2.160 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000133004787 326601553 /nfs/dbraw/zinc/60/15/53/326601553.db2.gz JCPFFBQTXDFKAI-WMZOPIPTSA-N 1 0 352.431 2.255 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000134583262 326628117 /nfs/dbraw/zinc/62/81/17/326628117.db2.gz LZRLFEXOVPNFSJ-AWEZNQCLSA-N 1 0 355.398 2.091 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000134820250 326631920 /nfs/dbraw/zinc/63/19/20/326631920.db2.gz HMKDHIHALIEQEE-ZIAGYGMSSA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151644828 326687617 /nfs/dbraw/zinc/68/76/17/326687617.db2.gz FVXBWWJCNAFLBC-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153589646 326737065 /nfs/dbraw/zinc/73/70/65/326737065.db2.gz RHIABSIYAZQSJA-GOSISDBHSA-N 1 0 364.442 2.473 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000155402129 326786967 /nfs/dbraw/zinc/78/69/67/326786967.db2.gz RXLAOHLZPGRNMS-UHFFFAOYSA-N 1 0 373.413 2.295 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000160150017 326955029 /nfs/dbraw/zinc/95/50/29/326955029.db2.gz DHZXVYDVOUINMU-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162101585 327017123 /nfs/dbraw/zinc/01/71/23/327017123.db2.gz ZMCAFAIRXGFURD-LLVKDONJSA-N 1 0 355.441 2.285 20 5 FEBDRO C[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1Cc1ccccc1 ZINC000163436584 327051591 /nfs/dbraw/zinc/05/15/91/327051591.db2.gz FTCNWZZEQXTNPV-LJQANCHMSA-N 1 0 371.441 2.352 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163777608 327058612 /nfs/dbraw/zinc/05/86/12/327058612.db2.gz PZQTZCUTCGKJRJ-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163933959 327061674 /nfs/dbraw/zinc/06/16/74/327061674.db2.gz SIAMEBYJNXKRNC-IYBDPMFKSA-N 1 0 358.442 2.164 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170684662 327093817 /nfs/dbraw/zinc/09/38/17/327093817.db2.gz RJMSDALWWSHTTR-QGZVFWFLSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172042121 327177603 /nfs/dbraw/zinc/17/76/03/327177603.db2.gz VGCNIXINPPIGSK-NCNPBXTDSA-N 1 0 363.414 2.025 20 5 FEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172247524 327189929 /nfs/dbraw/zinc/18/99/29/327189929.db2.gz MOCXAEKSTOCQPN-CQSZACIVSA-N 1 0 357.414 2.133 20 5 FEBDRO CN1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000172751947 327217031 /nfs/dbraw/zinc/21/70/31/327217031.db2.gz SQXIGKQDAZXTDS-UHFFFAOYSA-N 1 0 374.485 2.204 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000172760600 327217513 /nfs/dbraw/zinc/21/75/13/327217513.db2.gz JMMNFWZJVAVVAV-UHFFFAOYSA-N 1 0 359.373 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173024008 327231295 /nfs/dbraw/zinc/23/12/95/327231295.db2.gz LQDCAZQQLKVEQV-SNVBAGLBSA-N 1 0 359.835 2.011 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000173049993 327232428 /nfs/dbraw/zinc/23/24/28/327232428.db2.gz OENXWMIWUBOHHQ-LBPRGKRZSA-N 1 0 365.430 2.478 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000173198687 327240541 /nfs/dbraw/zinc/24/05/41/327240541.db2.gz QMUDIKAMEVNWPT-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173256912 327244532 /nfs/dbraw/zinc/24/45/32/327244532.db2.gz GGWYUQHCZPLHJD-KGLIPLIRSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173630511 327272288 /nfs/dbraw/zinc/27/22/88/327272288.db2.gz RUFGPMMVTRLJOD-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000173631747 327272600 /nfs/dbraw/zinc/27/26/00/327272600.db2.gz UVYGHUYHPFWYTK-ZDUSSCGKSA-N 1 0 371.434 2.230 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173845873 327288537 /nfs/dbraw/zinc/28/85/37/327288537.db2.gz UVQLMKRRKDTIOG-HNNXBMFYSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173918676 327294217 /nfs/dbraw/zinc/29/42/17/327294217.db2.gz KTMQUAPNYVJYDS-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000174167635 327310049 /nfs/dbraw/zinc/31/00/49/327310049.db2.gz GKFFGPYACMUSPK-MRXNPFEDSA-N 1 0 372.429 2.040 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077895 327372633 /nfs/dbraw/zinc/37/26/33/327372633.db2.gz FXCJTSIDHXRGGT-NWDGAFQWSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000176628414 327467154 /nfs/dbraw/zinc/46/71/54/327467154.db2.gz ZTFIBXQCRVKXAG-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1C ZINC000261601931 328804467 /nfs/dbraw/zinc/80/44/67/328804467.db2.gz BOENKEWRIFJHAV-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261657987 328809583 /nfs/dbraw/zinc/80/95/83/328809583.db2.gz KKBDUZPQQZLDRW-VHRBIJSZSA-N 1 0 373.862 2.305 20 5 FEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261846760 328823894 /nfs/dbraw/zinc/82/38/94/328823894.db2.gz QATWJPIOFVXCPQ-UHFFFAOYSA-N 1 0 358.442 2.411 20 5 FEBDRO COc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000262072705 328839923 /nfs/dbraw/zinc/83/99/23/328839923.db2.gz SEUQCNXNYLRPMV-MWLCHTKSSA-N 1 0 363.336 2.324 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000262392428 328862928 /nfs/dbraw/zinc/86/29/28/328862928.db2.gz OJVJNOHDMFEQRM-PBHICJAKSA-N 1 0 358.373 2.192 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262807659 328891218 /nfs/dbraw/zinc/89/12/18/328891218.db2.gz ONLDZVBVXDHTRZ-ZANVPECISA-N 1 0 356.220 2.014 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264557337 329035427 /nfs/dbraw/zinc/03/54/27/329035427.db2.gz DWGHPVMGYQZFSS-ZDUSSCGKSA-N 1 0 361.398 2.066 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000264595491 329039063 /nfs/dbraw/zinc/03/90/63/329039063.db2.gz WUXGJWXTRIGVAJ-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875057 329069951 /nfs/dbraw/zinc/06/99/51/329069951.db2.gz PPSPXIYMBCGXAB-GHMZBOCLSA-N 1 0 351.794 2.450 20 5 FEBDRO CNC(=O)CC[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000265114763 329092457 /nfs/dbraw/zinc/09/24/57/329092457.db2.gz YNDKWHUZHUGPFL-UHFFFAOYSA-N 1 0 373.409 2.408 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000265991874 329179806 /nfs/dbraw/zinc/17/98/06/329179806.db2.gz CDLMYIJYQZXHNT-UHFFFAOYSA-N 1 0 371.437 2.437 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265998466 329180404 /nfs/dbraw/zinc/18/04/04/329180404.db2.gz ORLXNSKAPBYVHQ-PBXWNFIWSA-N 1 0 363.414 2.334 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000265998244 329180407 /nfs/dbraw/zinc/18/04/07/329180407.db2.gz KFDBMJYJCFBFBL-SFHVURJKSA-N 1 0 362.474 2.348 20 5 FEBDRO COc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000266150815 329195382 /nfs/dbraw/zinc/19/53/82/329195382.db2.gz KLZSXIPPGVPLQK-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266207029 329200473 /nfs/dbraw/zinc/20/04/73/329200473.db2.gz PMTFKOATKGDHED-WCQYABFASA-N 1 0 359.423 2.085 20 5 FEBDRO COCCCC[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266417646 329220875 /nfs/dbraw/zinc/22/08/75/329220875.db2.gz ABJKLDPRJWBWOC-GOSISDBHSA-N 1 0 362.430 2.081 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266816504 329262509 /nfs/dbraw/zinc/26/25/09/329262509.db2.gz XCBOQOMLZYEJBR-HNNXBMFYSA-N 1 0 364.446 2.477 20 5 FEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267063006 329287896 /nfs/dbraw/zinc/28/78/96/329287896.db2.gz JCQDMKPGHXKPEC-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO CCCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000269222969 329497793 /nfs/dbraw/zinc/49/77/93/329497793.db2.gz BXKJXCMSPXKFTA-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487549 329604768 /nfs/dbraw/zinc/60/47/68/329604768.db2.gz UBQVVJRSUSAGJT-QAPCUYQASA-N 1 0 363.414 2.269 20 5 FEBDRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674541 329714229 /nfs/dbraw/zinc/71/42/29/329714229.db2.gz ITQGYSQJIVANAM-BLLLJJGKSA-N 1 0 352.460 2.392 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271965227 329741034 /nfs/dbraw/zinc/74/10/34/329741034.db2.gz GNRXTMWXNVSKOM-UKRRQHHQSA-N 1 0 374.846 2.074 20 5 FEBDRO Cn1ccnc1[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272570753 329792706 /nfs/dbraw/zinc/79/27/06/329792706.db2.gz VUILDOMTNMZMKC-KRWDZBQOSA-N 1 0 373.457 2.118 20 5 FEBDRO C[NH+](C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1cccs1 ZINC000272587994 329794580 /nfs/dbraw/zinc/79/45/80/329794580.db2.gz VZMFGOSDBSPEDF-LLVKDONJSA-N 1 0 370.456 2.019 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272877893 329820174 /nfs/dbraw/zinc/82/01/74/329820174.db2.gz WDJLWBGLRUMKTJ-UHFFFAOYSA-N 1 0 368.434 2.426 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000273499186 329869671 /nfs/dbraw/zinc/86/96/71/329869671.db2.gz YHSMZCOHBFPDIA-INTQDDNPSA-N 1 0 371.340 2.014 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000273660084 329882500 /nfs/dbraw/zinc/88/25/00/329882500.db2.gz HWKPDNBSFAFTTH-OCCSQVGLSA-N 1 0 354.432 2.113 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1[NH+]1CCCC1 ZINC000274187944 329924310 /nfs/dbraw/zinc/92/43/10/329924310.db2.gz LGPDTCXCQNPUPD-CABCVRRESA-N 1 0 364.471 2.137 20 5 FEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827034 330093506 /nfs/dbraw/zinc/09/35/06/330093506.db2.gz SUVPNAWIVGXCFQ-CZUORRHYSA-N 1 0 355.822 2.397 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000276350893 330143933 /nfs/dbraw/zinc/14/39/33/330143933.db2.gz UKKIFGHMPJTOGW-CQSZACIVSA-N 1 0 367.471 2.311 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000281819308 330176962 /nfs/dbraw/zinc/17/69/62/330176962.db2.gz VORBHLKPCAKUJG-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000367052261 330211569 /nfs/dbraw/zinc/21/15/69/330211569.db2.gz JKFHLWPDPWSNIP-MAUKXSAKSA-N 1 0 374.485 2.255 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061801 330212480 /nfs/dbraw/zinc/21/24/80/330212480.db2.gz YMBRSQDCEZAVAV-MSOLQXFVSA-N 1 0 374.441 2.132 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234665 330234237 /nfs/dbraw/zinc/23/42/37/330234237.db2.gz RIXDBXIYDYJMAO-HZPDHXFCSA-N 1 0 355.394 2.431 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000369339622 330241750 /nfs/dbraw/zinc/24/17/50/330241750.db2.gz OZFCIOWHXQCKDM-WCQYABFASA-N 1 0 353.806 2.228 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000440840876 330276383 /nfs/dbraw/zinc/27/63/83/330276383.db2.gz HIZTUOYXRFWUAN-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000477437540 561144980 /nfs/dbraw/zinc/14/49/80/561144980.db2.gz LRJBUMVWQVUEBB-SNVBAGLBSA-N 1 0 362.352 2.482 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158407800 545858159 /nfs/dbraw/zinc/85/81/59/545858159.db2.gz FEDOAPYAXYIXQU-ZFWWWQNUSA-N 1 0 357.414 2.193 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(C)ccn2)CC1 ZINC000158647392 545880664 /nfs/dbraw/zinc/88/06/64/545880664.db2.gz LSXUPNZRFBBGRK-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO O=C(NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC000166580208 546157191 /nfs/dbraw/zinc/15/71/91/546157191.db2.gz WJPPPYZMPQDHBD-UHFFFAOYSA-N 1 0 359.382 2.461 20 5 FEBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479539570 561191611 /nfs/dbraw/zinc/19/16/11/561191611.db2.gz KCYYIVYFMPABQW-WMLDXEAASA-N 1 0 367.471 2.455 20 5 FEBDRO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C[NH+](C)C ZINC000479765189 561196590 /nfs/dbraw/zinc/19/65/90/561196590.db2.gz UUQLWNCRPMJRDA-LLVKDONJSA-N 1 0 351.403 2.072 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000479865730 561198301 /nfs/dbraw/zinc/19/83/01/561198301.db2.gz QPRBHNODKKVECR-UHFFFAOYSA-N 1 0 360.414 2.329 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC1CCOCC1 ZINC000176426610 546444596 /nfs/dbraw/zinc/44/45/96/546444596.db2.gz CSECOAAPDOEHPV-QGZVFWFLSA-N 1 0 352.431 2.362 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000176793382 546488847 /nfs/dbraw/zinc/48/88/47/546488847.db2.gz UNTJTFBETFYVQH-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO CCCNC(=O)C1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000177119297 546548625 /nfs/dbraw/zinc/54/86/25/546548625.db2.gz COGLRUKVRIOFKU-UHFFFAOYSA-N 1 0 362.430 2.012 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000177154298 546556854 /nfs/dbraw/zinc/55/68/54/546556854.db2.gz UFEQIHBQNLXWER-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000480946806 561220831 /nfs/dbraw/zinc/22/08/31/561220831.db2.gz BXBBNOFNBBCXKD-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177943069 546710648 /nfs/dbraw/zinc/71/06/48/546710648.db2.gz FXQYRNKZJXOTAS-HDMKZQKVSA-N 1 0 358.442 2.340 20 5 FEBDRO O=C(CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000178573930 546814039 /nfs/dbraw/zinc/81/40/39/546814039.db2.gz RVMPDZYFTPVTCA-GOSISDBHSA-N 1 0 361.442 2.353 20 5 FEBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000179080677 546897589 /nfs/dbraw/zinc/89/75/89/546897589.db2.gz NBAZBDRVWLBURK-LLVKDONJSA-N 1 0 360.336 2.236 20 5 FEBDRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000179361731 546940583 /nfs/dbraw/zinc/94/05/83/546940583.db2.gz HYAGEXRTIAZZSP-INIZCTEOSA-N 1 0 365.430 2.359 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+](C)C)cc1 ZINC000180497427 547119247 /nfs/dbraw/zinc/11/92/47/547119247.db2.gz KOOQUIOEUXUWGE-MRXNPFEDSA-N 1 0 357.414 2.167 20 5 FEBDRO Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000181114669 547252345 /nfs/dbraw/zinc/25/23/45/547252345.db2.gz QTTAZLCHZJDCBZ-UHFFFAOYSA-N 1 0 369.487 2.443 20 5 FEBDRO Cc1ccc(C[N@H+](CCO)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000181967172 547414857 /nfs/dbraw/zinc/41/48/57/547414857.db2.gz NWWDJFFGQSSILJ-GOSISDBHSA-N 1 0 360.410 2.137 20 5 FEBDRO NC(=O)C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067244 547431386 /nfs/dbraw/zinc/43/13/86/547431386.db2.gz MKTFVEQIGCRSAX-IAGOWNOFSA-N 1 0 374.441 2.114 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182682043 547533334 /nfs/dbraw/zinc/53/33/34/547533334.db2.gz VGMDULPGYHXGFL-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182844807 547561011 /nfs/dbraw/zinc/56/10/11/547561011.db2.gz KTLGJYHNUYILHV-LLVKDONJSA-N 1 0 358.324 2.344 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183311236 547637079 /nfs/dbraw/zinc/63/70/79/547637079.db2.gz JWBPVYOPJWKEOF-NSHDSACASA-N 1 0 361.402 2.325 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184484756 547834119 /nfs/dbraw/zinc/83/41/19/547834119.db2.gz WYAVEJWTMOTULR-AWEZNQCLSA-N 1 0 363.462 2.359 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000184484771 547834895 /nfs/dbraw/zinc/83/48/95/547834895.db2.gz LZZQBQZIPSQKQV-OAHLLOKOSA-N 1 0 362.430 2.398 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650046 547860940 /nfs/dbraw/zinc/86/09/40/547860940.db2.gz XHNFFWSUPRXJIQ-AWEZNQCLSA-N 1 0 370.837 2.158 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000184770775 547876418 /nfs/dbraw/zinc/87/64/18/547876418.db2.gz OXFMSOYKXDTIEB-ZFWWWQNUSA-N 1 0 367.421 2.310 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185092577 547932015 /nfs/dbraw/zinc/93/20/15/547932015.db2.gz DUKLGNLHHODQMM-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158738 547943824 /nfs/dbraw/zinc/94/38/24/547943824.db2.gz KAPMFRAAHZZARG-UKRRQHHQSA-N 1 0 367.421 2.407 20 5 FEBDRO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000185564153 548003533 /nfs/dbraw/zinc/00/35/33/548003533.db2.gz MZHITJDYRCWASJ-HZSPNIEDSA-N 1 0 367.421 2.141 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185927132 548060932 /nfs/dbraw/zinc/06/09/32/548060932.db2.gz USAYWLAQDIASMK-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000185979858 548068092 /nfs/dbraw/zinc/06/80/92/548068092.db2.gz UEOKFGGWHNJVHS-DYVFJYSZSA-N 1 0 365.455 2.232 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186545931 548150744 /nfs/dbraw/zinc/15/07/44/548150744.db2.gz IZSJHJVVXUZQAY-AWEZNQCLSA-N 1 0 355.398 2.137 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000193949856 548412371 /nfs/dbraw/zinc/41/23/71/548412371.db2.gz IMCVXHRXSKKUMV-UHFFFAOYSA-N 1 0 350.419 2.279 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000194601201 548503615 /nfs/dbraw/zinc/50/36/15/548503615.db2.gz KORYGFJPCYUXAF-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO CCOc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152337 561365015 /nfs/dbraw/zinc/36/50/15/561365015.db2.gz RQFPCIVPQREUFO-WBVHZDCISA-N 1 0 362.474 2.456 20 5 FEBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236887934 548787165 /nfs/dbraw/zinc/78/71/65/548787165.db2.gz TZXFQTNUKFEFCW-OLZOCXBDSA-N 1 0 359.430 2.388 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237215061 548809095 /nfs/dbraw/zinc/80/90/95/548809095.db2.gz JILQLAKZTQCVJP-RYUDHWBXSA-N 1 0 353.444 2.045 20 5 FEBDRO Cn1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237885222 548860435 /nfs/dbraw/zinc/86/04/35/548860435.db2.gz FRPHSNBTLYKZQZ-ZDUSSCGKSA-N 1 0 357.414 2.115 20 5 FEBDRO [NH3+][C@@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237878821 548860661 /nfs/dbraw/zinc/86/06/61/548860661.db2.gz NTDJPBTXPLKKQM-HOCLYGCPSA-N 1 0 355.398 2.093 20 5 FEBDRO CC(C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000487914575 561378574 /nfs/dbraw/zinc/37/85/74/561378574.db2.gz JFJSNVQRHAUNKL-KRWDZBQOSA-N 1 0 357.458 2.249 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000245455394 548925128 /nfs/dbraw/zinc/92/51/28/548925128.db2.gz SOVQJEUUXUNSKJ-KGLIPLIRSA-N 1 0 364.446 2.204 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000245463357 548927512 /nfs/dbraw/zinc/92/75/12/548927512.db2.gz XHYKZBKIEZJUFS-UKRRQHHQSA-N 1 0 371.397 2.173 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488202756 561386037 /nfs/dbraw/zinc/38/60/37/561386037.db2.gz OHBXBSSMGOQSNT-UHFFFAOYSA-N 1 0 369.219 2.048 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246053162 549042005 /nfs/dbraw/zinc/04/20/05/549042005.db2.gz COMNPTHEIYKAHK-ZFWWWQNUSA-N 1 0 355.460 2.254 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246114376 549055125 /nfs/dbraw/zinc/05/51/25/549055125.db2.gz IPIGHEZTMUJLDO-XJKSGUPXSA-N 1 0 355.460 2.087 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246380214 549119389 /nfs/dbraw/zinc/11/93/89/549119389.db2.gz OPFRNMQMPLKHHR-DZGCQCFKSA-N 1 0 365.455 2.232 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758534 561396462 /nfs/dbraw/zinc/39/64/62/561396462.db2.gz JLGFESKDUYYNCY-MNOVXSKESA-N 1 0 360.357 2.450 20 5 FEBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805531 561397319 /nfs/dbraw/zinc/39/73/19/561397319.db2.gz XTPLLVJRHHCTFG-YJBOKZPZSA-N 1 0 360.414 2.170 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246955102 549250815 /nfs/dbraw/zinc/25/08/15/549250815.db2.gz IHHBWEXPUPPJOC-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000247098062 549283153 /nfs/dbraw/zinc/28/31/53/549283153.db2.gz PWWAVRUBSSOGIY-XJKSGUPXSA-N 1 0 353.444 2.008 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247174266 549294852 /nfs/dbraw/zinc/29/48/52/549294852.db2.gz KVCFPHXOYOYIDN-DOMZBBRYSA-N 1 0 353.444 2.014 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(COc3ccccc3)C2)c1 ZINC000489484603 561412635 /nfs/dbraw/zinc/41/26/35/561412635.db2.gz RDWSCEQAKXHJSM-QGZVFWFLSA-N 1 0 358.394 2.345 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000249172203 549564430 /nfs/dbraw/zinc/56/44/30/549564430.db2.gz LMMXWGGMJCWEMY-KBPBESRZSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000253357895 549683276 /nfs/dbraw/zinc/68/32/76/549683276.db2.gz JHUZDOPUHBNHOM-CHWSQXEVSA-N 1 0 362.430 2.078 20 5 FEBDRO CN(C(=O)CN(CC[NH3+])CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000261750928 549751338 /nfs/dbraw/zinc/75/13/38/549751338.db2.gz LVDHPXCAUNHNIJ-UHFFFAOYSA-N 1 0 356.426 2.061 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262196363 549797785 /nfs/dbraw/zinc/79/77/85/549797785.db2.gz KCBMENLTZUONQE-HNNXBMFYSA-N 1 0 361.423 2.069 20 5 FEBDRO COCC1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000262330196 549811637 /nfs/dbraw/zinc/81/16/37/549811637.db2.gz FGOYWAMJQRWVLZ-UHFFFAOYSA-N 1 0 355.822 2.223 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262762939 549847147 /nfs/dbraw/zinc/84/71/47/549847147.db2.gz ANHJBOLCABLTAV-YPMHNXCESA-N 1 0 353.444 2.093 20 5 FEBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+]2CCCC2)o1 ZINC000263698177 549921674 /nfs/dbraw/zinc/92/16/74/549921674.db2.gz KXWLOIAQNDYELF-AWEZNQCLSA-N 1 0 359.386 2.239 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263717295 549925198 /nfs/dbraw/zinc/92/51/98/549925198.db2.gz NXIZICXUHOKMID-SFHVURJKSA-N 1 0 371.441 2.498 20 5 FEBDRO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000490849457 561439187 /nfs/dbraw/zinc/43/91/87/561439187.db2.gz YKESPKQWEQEJHH-ZRGWGRIASA-N 1 0 363.458 2.029 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000264119751 549981381 /nfs/dbraw/zinc/98/13/81/549981381.db2.gz RKXOECJUTSDQSE-UHFFFAOYSA-N 1 0 359.423 2.227 20 5 FEBDRO C[NH+](C)C1CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268483140 550074183 /nfs/dbraw/zinc/07/41/83/550074183.db2.gz LVQLACGUQAQTLT-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO COc1cccc(C=C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000268509144 550079011 /nfs/dbraw/zinc/07/90/11/550079011.db2.gz UJJRPMAUCHFITR-GOSISDBHSA-N 1 0 372.425 2.340 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000268798047 550117511 /nfs/dbraw/zinc/11/75/11/550117511.db2.gz IIBLIWVNWVRHPZ-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000268812800 550118653 /nfs/dbraw/zinc/11/86/53/550118653.db2.gz DPLLELFJWDJJSF-RDJZCZTQSA-N 1 0 362.474 2.497 20 5 FEBDRO C[C@@](C[NH3+])(NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000269216785 550168827 /nfs/dbraw/zinc/16/88/27/550168827.db2.gz PSWMPZIWVPQVNZ-ZDUSSCGKSA-N 1 0 360.183 2.354 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000269328138 550181516 /nfs/dbraw/zinc/18/15/16/550181516.db2.gz DMWXKFRGCUFUOR-ZDUSSCGKSA-N 1 0 372.429 2.355 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000270779400 550306011 /nfs/dbraw/zinc/30/60/11/550306011.db2.gz JOCKUZDEXKMECB-UHFFFAOYSA-N 1 0 361.427 2.129 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000494071079 561462023 /nfs/dbraw/zinc/46/20/23/561462023.db2.gz ZXFZWAMCYPXSNF-UHFFFAOYSA-N 1 0 351.451 2.213 20 5 FEBDRO CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271114845 550341955 /nfs/dbraw/zinc/34/19/55/550341955.db2.gz QNRVDCCDFFKNIG-QWRGUYRKSA-N 1 0 361.265 2.234 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862884 550474214 /nfs/dbraw/zinc/47/42/14/550474214.db2.gz SEWVSVBIEFOTJJ-SCLBCKFNSA-N 1 0 374.441 2.277 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274843105 550558798 /nfs/dbraw/zinc/55/87/98/550558798.db2.gz DHRMNVTXERFSOR-SFHVURJKSA-N 1 0 374.393 2.312 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1OC ZINC000276932258 550612576 /nfs/dbraw/zinc/61/25/76/550612576.db2.gz IUTPCECNIJMPDC-DZGCQCFKSA-N 1 0 351.403 2.479 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277031889 550624281 /nfs/dbraw/zinc/62/42/81/550624281.db2.gz CPUYWRVQVHVEOR-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277073310 550628898 /nfs/dbraw/zinc/62/88/98/550628898.db2.gz SNKGHHKHKJSLJN-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000277090468 550630880 /nfs/dbraw/zinc/63/08/80/550630880.db2.gz BIRKJRGHCAYGDY-GFCCVEGCSA-N 1 0 350.375 2.368 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277278828 550651076 /nfs/dbraw/zinc/65/10/76/550651076.db2.gz SEYLZGFKUHIYCN-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468250 550674402 /nfs/dbraw/zinc/67/44/02/550674402.db2.gz PJMXNUHHFOTNPD-HUUCEWRRSA-N 1 0 364.446 2.456 20 5 FEBDRO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000278345589 550775544 /nfs/dbraw/zinc/77/55/44/550775544.db2.gz JGZXYWRFMZHAEB-JTQLQIEISA-N 1 0 362.352 2.290 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278350624 550775759 /nfs/dbraw/zinc/77/57/59/550775759.db2.gz AVKOJJNCXHWGKL-ZDUSSCGKSA-N 1 0 371.384 2.304 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278664492 550809409 /nfs/dbraw/zinc/80/94/09/550809409.db2.gz KXSLSFMXNWFTBG-ZDUSSCGKSA-N 1 0 374.445 2.487 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278958165 550840288 /nfs/dbraw/zinc/84/02/88/550840288.db2.gz BCKODYDYVDRCCL-MLGOLLRUSA-N 1 0 367.471 2.188 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107595 550854697 /nfs/dbraw/zinc/85/46/97/550854697.db2.gz BMLPXJHCNWBXRF-IUODEOHRSA-N 1 0 364.421 2.356 20 5 FEBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000279804905 550930931 /nfs/dbraw/zinc/93/09/31/550930931.db2.gz NXTVJVMTVLRLAW-HNNXBMFYSA-N 1 0 371.441 2.343 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1OC ZINC000495596141 561489696 /nfs/dbraw/zinc/48/96/96/561489696.db2.gz YKIJIKSNXDBFKI-CQSZACIVSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1OC ZINC000495596136 561489757 /nfs/dbraw/zinc/48/97/57/561489757.db2.gz YKIJIKSNXDBFKI-AWEZNQCLSA-N 1 0 363.414 2.216 20 5 FEBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280717321 551024618 /nfs/dbraw/zinc/02/46/18/551024618.db2.gz JXKYAXSHOITCNZ-JTNHKYCSSA-N 1 0 360.370 2.447 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000281034841 551056847 /nfs/dbraw/zinc/05/68/47/551056847.db2.gz URDOHQLDUKKXBM-CQSZACIVSA-N 1 0 356.382 2.463 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000281278895 551080358 /nfs/dbraw/zinc/08/03/58/551080358.db2.gz GLOLEJDWSVNONE-ZDUSSCGKSA-N 1 0 355.439 2.320 20 5 FEBDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894516 551154428 /nfs/dbraw/zinc/15/44/28/551154428.db2.gz BDHFHVFOSKPTNH-IGCXYCKISA-N 1 0 361.398 2.197 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000282459727 551232204 /nfs/dbraw/zinc/23/22/04/551232204.db2.gz FWEIXIFNLPYTHC-INIZCTEOSA-N 1 0 350.806 2.436 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282749720 551266254 /nfs/dbraw/zinc/26/62/54/551266254.db2.gz BBOORNUBUHUKJD-AWEZNQCLSA-N 1 0 365.821 2.172 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282890382 551282269 /nfs/dbraw/zinc/28/22/69/551282269.db2.gz WDEVIOAXSBKTJJ-SMDDNHRTSA-N 1 0 371.397 2.497 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000498061355 561515041 /nfs/dbraw/zinc/51/50/41/561515041.db2.gz ONXKNRDNPJDTTM-UHFFFAOYSA-N 1 0 357.414 2.244 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1c1ccccc1 ZINC000284375117 551535783 /nfs/dbraw/zinc/53/57/83/551535783.db2.gz LMMAGWPOSDGYRQ-WBVHZDCISA-N 1 0 358.373 2.491 20 5 FEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cnc2ccccc2c1=O ZINC000285169458 551714539 /nfs/dbraw/zinc/71/45/39/551714539.db2.gz BAXRUJQFSIWBPD-UHFFFAOYSA-N 1 0 352.394 2.479 20 5 FEBDRO Cc1cc(=O)n2nc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])sc2n1 ZINC000285251796 551726886 /nfs/dbraw/zinc/72/68/86/551726886.db2.gz HEQZWJSKRSPIDH-UHFFFAOYSA-N 1 0 359.411 2.042 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285319287 551737253 /nfs/dbraw/zinc/73/72/53/551737253.db2.gz RDMKOXGZWQUQPF-BYQDXSGLSA-N 1 0 365.817 2.193 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285456629 551759394 /nfs/dbraw/zinc/75/93/94/551759394.db2.gz YXXFXUVKNMFRAD-CHWSQXEVSA-N 1 0 371.434 2.290 20 5 FEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286343042 551876791 /nfs/dbraw/zinc/87/67/91/551876791.db2.gz RZKGIDXNLWXDEA-AWEZNQCLSA-N 1 0 368.231 2.336 20 5 FEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286571580 551901388 /nfs/dbraw/zinc/90/13/88/551901388.db2.gz UOFKTBODIRDBNH-CYBMUJFWSA-N 1 0 350.375 2.384 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286930711 551941596 /nfs/dbraw/zinc/94/15/96/551941596.db2.gz NIYJMTWLDKDXNC-BBRMVZONSA-N 1 0 362.430 2.101 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066364 551959077 /nfs/dbraw/zinc/95/90/77/551959077.db2.gz JXPXVTRBGIMJKY-WFASDCNBSA-N 1 0 364.421 2.499 20 5 FEBDRO O=C([C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1)N1CCCC1 ZINC000287264046 551982757 /nfs/dbraw/zinc/98/27/57/551982757.db2.gz HKAVXZPRKCZPNV-AWEZNQCLSA-N 1 0 371.397 2.089 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982338 552070670 /nfs/dbraw/zinc/07/06/70/552070670.db2.gz APHCXOAFHHURLN-ZBFHGGJFSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000288239023 552116842 /nfs/dbraw/zinc/11/68/42/552116842.db2.gz FNUDQDSLJAPFBX-ZDUSSCGKSA-N 1 0 350.419 2.253 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288428722 552151590 /nfs/dbraw/zinc/15/15/90/552151590.db2.gz KNIXPKNYGSGHMW-WBMJQRKESA-N 1 0 372.429 2.239 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000288769187 552209125 /nfs/dbraw/zinc/20/91/25/552209125.db2.gz JJZBASGYDQPKAW-NSHDSACASA-N 1 0 368.409 2.217 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000289410617 552316534 /nfs/dbraw/zinc/31/65/34/552316534.db2.gz AHFOAAWLDUBPNK-GFCCVEGCSA-N 1 0 362.167 2.468 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290125293 552430846 /nfs/dbraw/zinc/43/08/46/552430846.db2.gz LLJKBBDNYODGBJ-OAHLLOKOSA-N 1 0 369.425 2.242 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514297 552491109 /nfs/dbraw/zinc/49/11/09/552491109.db2.gz AYFOABAXOGXAHA-DOMZBBRYSA-N 1 0 355.398 2.021 20 5 FEBDRO NC(=O)c1ccnc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000290648243 552512714 /nfs/dbraw/zinc/51/27/14/552512714.db2.gz ONXZAKYAAXGYCZ-UHFFFAOYSA-N 1 0 355.398 2.471 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291777522 552660712 /nfs/dbraw/zinc/66/07/12/552660712.db2.gz MBRASBMQXVEWEZ-CQSZACIVSA-N 1 0 359.386 2.076 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000292615566 552743133 /nfs/dbraw/zinc/74/31/33/552743133.db2.gz XKVFPTUZBVJCIW-CQSZACIVSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000292750799 552755196 /nfs/dbraw/zinc/75/51/96/552755196.db2.gz UKXAANHBPMWMPN-SECBINFHSA-N 1 0 369.365 2.090 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000293735901 552851539 /nfs/dbraw/zinc/85/15/39/552851539.db2.gz HAHOMJXLKVKSMP-UHFFFAOYSA-N 1 0 355.460 2.280 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000293881511 552864956 /nfs/dbraw/zinc/86/49/56/552864956.db2.gz FVJJCUHXVNEGCF-LJQANCHMSA-N 1 0 356.426 2.494 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000294392683 552902509 /nfs/dbraw/zinc/90/25/09/552902509.db2.gz JXYPQCCCBFXMSS-DOMZBBRYSA-N 1 0 364.421 2.356 20 5 FEBDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000294856967 552939146 /nfs/dbraw/zinc/93/91/46/552939146.db2.gz CTXLERGCLSVORG-ZDUSSCGKSA-N 1 0 362.459 2.416 20 5 FEBDRO CCOc1cc(C[N@@H+]2CC[C@@](COC)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000295060078 552955156 /nfs/dbraw/zinc/95/51/56/552955156.db2.gz BSROLVZQLQZIHR-QGZVFWFLSA-N 1 0 352.387 2.005 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295066131 552955344 /nfs/dbraw/zinc/95/53/44/552955344.db2.gz OVVPAFZQEIMOST-CYBMUJFWSA-N 1 0 367.427 2.272 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295482905 553014252 /nfs/dbraw/zinc/01/42/52/553014252.db2.gz ODTHMIJJWIKPJG-KBPBESRZSA-N 1 0 367.471 2.038 20 5 FEBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842722 553066810 /nfs/dbraw/zinc/06/68/10/553066810.db2.gz CZFWWDSMXLATPT-CVEARBPZSA-N 1 0 363.414 2.479 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000502324040 561616350 /nfs/dbraw/zinc/61/63/50/561616350.db2.gz IVXXFDQKTZJYPY-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO COCCOC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000296419384 553156691 /nfs/dbraw/zinc/15/66/91/553156691.db2.gz LHFMEDSMFJBJEH-ZDUSSCGKSA-N 1 0 353.419 2.040 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296762327 553208381 /nfs/dbraw/zinc/20/83/81/553208381.db2.gz PHOPCTHKXBYVMG-AWEZNQCLSA-N 1 0 364.402 2.004 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000297830838 553344456 /nfs/dbraw/zinc/34/44/56/553344456.db2.gz JXAATGAHLMGFMK-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000297908376 553356108 /nfs/dbraw/zinc/35/61/08/553356108.db2.gz PJBNSMRHVKOLIY-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000297933800 553359242 /nfs/dbraw/zinc/35/92/42/553359242.db2.gz RLAMSDDDIUFXEH-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298423325 553423396 /nfs/dbraw/zinc/42/33/96/553423396.db2.gz PTJKYPRUPRBUNP-HNNXBMFYSA-N 1 0 358.398 2.004 20 5 FEBDRO COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCC1 ZINC000298855192 553481423 /nfs/dbraw/zinc/48/14/23/553481423.db2.gz FBLBJIVRLUXSTQ-OAHLLOKOSA-N 1 0 358.398 2.498 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000299079093 553512456 /nfs/dbraw/zinc/51/24/56/553512456.db2.gz TYYASUCQJDYMFM-ZWKOTPCHSA-N 1 0 363.414 2.479 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299234968 553534506 /nfs/dbraw/zinc/53/45/06/553534506.db2.gz UFVAZKXSCXFKTL-CQSZACIVSA-N 1 0 367.471 2.256 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000299252086 553537037 /nfs/dbraw/zinc/53/70/37/553537037.db2.gz KTSXWINWOLMUKT-NSHDSACASA-N 1 0 368.821 2.129 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000299505293 553572811 /nfs/dbraw/zinc/57/28/11/553572811.db2.gz BVERXEXAOPFLQS-STQMWFEESA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556719 553580872 /nfs/dbraw/zinc/58/08/72/553580872.db2.gz XEDSENBKKPJAHP-KBPBESRZSA-N 1 0 362.386 2.476 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000299565636 553582223 /nfs/dbraw/zinc/58/22/23/553582223.db2.gz MIUALQSKMWTYFN-UHFFFAOYSA-N 1 0 369.425 2.289 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301238540 553633856 /nfs/dbraw/zinc/63/38/56/553633856.db2.gz NEDAYEUPQOPSHI-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO O=C(c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301446792 553652396 /nfs/dbraw/zinc/65/23/96/553652396.db2.gz KCHTWLQAUMNINV-INIZCTEOSA-N 1 0 356.426 2.281 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301510529 553656838 /nfs/dbraw/zinc/65/68/38/553656838.db2.gz CYRKUEYOUZYAOO-GFCCVEGCSA-N 1 0 373.251 2.257 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301836668 553683850 /nfs/dbraw/zinc/68/38/50/553683850.db2.gz XKIRCLYFXNYLAF-OAHLLOKOSA-N 1 0 352.822 2.167 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NCC3([NH+]4CCOCC4)CCCCC3)nn21 ZINC000301943703 553693657 /nfs/dbraw/zinc/69/36/57/553693657.db2.gz WEYVJMFCEQJAGR-UHFFFAOYSA-N 1 0 360.418 2.085 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302113799 553705004 /nfs/dbraw/zinc/70/50/04/553705004.db2.gz BRVHRWSLCJAGQC-LBPRGKRZSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302284555 553714031 /nfs/dbraw/zinc/71/40/31/553714031.db2.gz VMYFQKMULZLKFX-LLVKDONJSA-N 1 0 372.267 2.190 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000302814392 553734330 /nfs/dbraw/zinc/73/43/30/553734330.db2.gz HZNLCRIXVPVANR-UHFFFAOYSA-N 1 0 366.849 2.301 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000303044759 553743441 /nfs/dbraw/zinc/74/34/41/553743441.db2.gz TZHMHHUTGZRMOH-GFCCVEGCSA-N 1 0 363.443 2.472 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000324977412 553774413 /nfs/dbraw/zinc/77/44/13/553774413.db2.gz QBFHDWDNOKBFOI-HOTGVXAUSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000324971906 553774489 /nfs/dbraw/zinc/77/44/89/553774489.db2.gz OCNOWNISEBIKAX-ZFWWWQNUSA-N 1 0 353.444 2.198 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)COc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000506570554 561702349 /nfs/dbraw/zinc/70/23/49/561702349.db2.gz LRCUJUODTLRGPR-UHFFFAOYSA-N 1 0 356.810 2.011 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994082 561713450 /nfs/dbraw/zinc/71/34/50/561713450.db2.gz DWGSFDNSMFPAQV-OCCSQVGLSA-N 1 0 355.398 2.336 20 5 FEBDRO CCOc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000507680198 561737845 /nfs/dbraw/zinc/73/78/45/561737845.db2.gz VPDSYPMVDJEYJX-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000508025857 561749091 /nfs/dbraw/zinc/74/90/91/561749091.db2.gz RVWDJIWLEFCKBP-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000330773914 554169223 /nfs/dbraw/zinc/16/92/23/554169223.db2.gz XRIFPLRAGFSJOE-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000330892310 554183806 /nfs/dbraw/zinc/18/38/06/554183806.db2.gz XQYIVLQLMFKIRQ-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000331910114 554344582 /nfs/dbraw/zinc/34/45/82/554344582.db2.gz MUAZIQSDVODOCY-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000332085528 554377235 /nfs/dbraw/zinc/37/72/35/554377235.db2.gz QPLJJSVZPZDPKT-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C ZINC000332088414 554377887 /nfs/dbraw/zinc/37/78/87/554377887.db2.gz UAEISEABJQPPSR-GOEBONIOSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000332216180 554402588 /nfs/dbraw/zinc/40/25/88/554402588.db2.gz IQPJHEPKWIFHMI-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000332423841 554444049 /nfs/dbraw/zinc/44/40/49/554444049.db2.gz SDNODFRUDKYFSB-HLPPOEQASA-N 1 0 360.458 2.496 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000510541056 561838383 /nfs/dbraw/zinc/83/83/83/561838383.db2.gz YKVNQGFNWSUFCF-FOSCPWQOSA-N 1 0 359.473 2.210 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](c2ccnn2C)C1 ZINC000511152670 561859376 /nfs/dbraw/zinc/85/93/76/561859376.db2.gz SKTAAPLLYKMRFE-AWEZNQCLSA-N 1 0 357.414 2.455 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000361110194 554904878 /nfs/dbraw/zinc/90/48/78/554904878.db2.gz VOVHROHWXDRCTD-ABAIWWIYSA-N 1 0 352.822 2.213 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141080 554905633 /nfs/dbraw/zinc/90/56/33/554905633.db2.gz IJYFXULWXOKXSA-HIFRSBDPSA-N 1 0 357.414 2.045 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cc2N1 ZINC000362926336 554999915 /nfs/dbraw/zinc/99/99/15/554999915.db2.gz QAYCKFUYZSPKDN-SQWLQELKSA-N 1 0 356.426 2.400 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000363073837 555024120 /nfs/dbraw/zinc/02/41/20/555024120.db2.gz CSUDAMSOPWCZPI-OAHLLOKOSA-N 1 0 361.398 2.082 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000531306520 562441524 /nfs/dbraw/zinc/44/15/24/562441524.db2.gz PCWVFDHFRJCJPJ-LBPRGKRZSA-N 1 0 351.794 2.312 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000363234336 555060218 /nfs/dbraw/zinc/06/02/18/555060218.db2.gz JXCQZPPLWQNVOU-NCNPBXTDSA-N 1 0 363.414 2.025 20 5 FEBDRO Cc1cccc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363346884 555082537 /nfs/dbraw/zinc/08/25/37/555082537.db2.gz ZUWIFDDCZCGVNS-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO NC(=O)c1ccc(NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000363407567 555097658 /nfs/dbraw/zinc/09/76/58/555097658.db2.gz ZWZDWTCHNXTKLX-OAHLLOKOSA-N 1 0 369.425 2.413 20 5 FEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711463 555169820 /nfs/dbraw/zinc/16/98/20/555169820.db2.gz JIBLHSVZCKSPMD-UGSOOPFHSA-N 1 0 372.381 2.420 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000363956742 555221601 /nfs/dbraw/zinc/22/16/01/555221601.db2.gz AXVUZEZMHQEXBL-MRXNPFEDSA-N 1 0 357.414 2.046 20 5 FEBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018961 555234865 /nfs/dbraw/zinc/23/48/65/555234865.db2.gz GZTLOCVPFCDGML-ZWKOTPCHSA-N 1 0 374.441 2.399 20 5 FEBDRO CCc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000364319675 555290304 /nfs/dbraw/zinc/29/03/04/555290304.db2.gz MHONTWGRDVOTBW-QGZVFWFLSA-N 1 0 360.458 2.009 20 5 FEBDRO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364383256 555303359 /nfs/dbraw/zinc/30/33/59/555303359.db2.gz UYMAFXDMGJZWIK-FUHWJXTLSA-N 1 0 371.441 2.128 20 5 FEBDRO O=C1[C@@H](N2CCC(n3cccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000364529411 555330330 /nfs/dbraw/zinc/33/03/30/555330330.db2.gz OWZVTGCXCAYPMT-KRWDZBQOSA-N 1 0 355.398 2.234 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512473794 561906514 /nfs/dbraw/zinc/90/65/14/561906514.db2.gz GNNNSOBMEWZQLL-UHFFFAOYSA-N 1 0 360.458 2.292 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364776478 555400028 /nfs/dbraw/zinc/40/00/28/555400028.db2.gz IHZSOSFZZNLXAZ-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000364967685 555452486 /nfs/dbraw/zinc/45/24/86/555452486.db2.gz AHBJUIVLQWASFR-GFCCVEGCSA-N 1 0 359.373 2.085 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365059372 555475913 /nfs/dbraw/zinc/47/59/13/555475913.db2.gz XBGPEHCCCUJQAZ-HUUCEWRRSA-N 1 0 373.862 2.449 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000365223399 555514889 /nfs/dbraw/zinc/51/48/89/555514889.db2.gz UPTMYNCAHJQFCE-GVXVVHGQSA-N 1 0 373.862 2.305 20 5 FEBDRO CN(C(=O)C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000365222176 555514959 /nfs/dbraw/zinc/51/49/59/555514959.db2.gz OVFAXWCTSUEBRO-QRWLVFNGSA-N 1 0 369.421 2.443 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365326606 555543062 /nfs/dbraw/zinc/54/30/62/555543062.db2.gz NKXUXVQJMVFGTJ-PBHICJAKSA-N 1 0 358.442 2.409 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000365338526 555547608 /nfs/dbraw/zinc/54/76/08/555547608.db2.gz HOEFPIPRJCVBQJ-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365509250 555594719 /nfs/dbraw/zinc/59/47/19/555594719.db2.gz JHFUIHIZJRICOP-AWEZNQCLSA-N 1 0 369.425 2.406 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365629529 555627059 /nfs/dbraw/zinc/62/70/59/555627059.db2.gz MYEYRENIWPRXBH-VYDXJSESSA-N 1 0 368.393 2.070 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000365706421 555645832 /nfs/dbraw/zinc/64/58/32/555645832.db2.gz QQFDQADHALPKQZ-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365818100 555674250 /nfs/dbraw/zinc/67/42/50/555674250.db2.gz ISXKAMXFKJXCJW-UHFFFAOYSA-N 1 0 351.359 2.275 20 5 FEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000513543108 561942255 /nfs/dbraw/zinc/94/22/55/561942255.db2.gz OUGGXYORAUBPTM-DOMZBBRYSA-N 1 0 374.397 2.372 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000514603315 561969266 /nfs/dbraw/zinc/96/92/66/561969266.db2.gz BRHHZCJWBJSVRT-ZBFHGGJFSA-N 1 0 360.458 2.397 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284684 556008363 /nfs/dbraw/zinc/00/83/63/556008363.db2.gz FLUQCPNYJQMJPX-MRXNPFEDSA-N 1 0 350.438 2.336 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000367593824 556092572 /nfs/dbraw/zinc/09/25/72/556092572.db2.gz MTPRGYRWONIDON-MSOLQXFVSA-N 1 0 369.421 2.408 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000367642065 556103364 /nfs/dbraw/zinc/10/33/64/556103364.db2.gz GSAZRSSMWSCIDJ-MAUKXSAKSA-N 1 0 370.409 2.061 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367924795 556174426 /nfs/dbraw/zinc/17/44/26/556174426.db2.gz BXXWYBGDRGJHKC-KDOFPFPSSA-N 1 0 360.458 2.260 20 5 FEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000367989187 556189522 /nfs/dbraw/zinc/18/95/22/556189522.db2.gz WGYPTGUSEXHBLS-OLZOCXBDSA-N 1 0 358.423 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000368108519 556221047 /nfs/dbraw/zinc/22/10/47/556221047.db2.gz KPPXKKGGPMLVSC-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000368359593 556287809 /nfs/dbraw/zinc/28/78/09/556287809.db2.gz CPFFNBXVCYRNSZ-KBGZAFCFSA-N 1 0 358.442 2.025 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000368470055 556318869 /nfs/dbraw/zinc/31/88/69/556318869.db2.gz KIYNINGOPZJSIW-UHFFFAOYSA-N 1 0 372.429 2.241 20 5 FEBDRO [NH3+]CC1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000368554392 556344217 /nfs/dbraw/zinc/34/42/17/556344217.db2.gz CZIWRJIVCJGDQJ-PKOBYXMFSA-N 1 0 372.469 2.323 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000368612460 556362311 /nfs/dbraw/zinc/36/23/11/556362311.db2.gz KPJCJUVBJPDDIH-IRXDYDNUSA-N 1 0 364.442 2.473 20 5 FEBDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368841918 556427591 /nfs/dbraw/zinc/42/75/91/556427591.db2.gz HVYGKYGPCYWLJD-AWEZNQCLSA-N 1 0 359.386 2.118 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000368989720 556469333 /nfs/dbraw/zinc/46/93/33/556469333.db2.gz KDZUOBVZGZRALV-DZGCQCFKSA-N 1 0 357.414 2.218 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000368995248 556471330 /nfs/dbraw/zinc/47/13/30/556471330.db2.gz ISAOFTATQAYFGN-UHFFFAOYSA-N 1 0 363.462 2.410 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369153687 556519000 /nfs/dbraw/zinc/51/90/00/556519000.db2.gz DPXUFOLFGJGMBX-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369310134 556571199 /nfs/dbraw/zinc/57/11/99/556571199.db2.gz LNGYVWBLRDBWJG-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)n1 ZINC000369492453 556610691 /nfs/dbraw/zinc/61/06/91/556610691.db2.gz ICHVQWBSRWWMCD-UHFFFAOYSA-N 1 0 350.419 2.362 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000516178305 562034129 /nfs/dbraw/zinc/03/41/29/562034129.db2.gz SLSUBZSJSIMYGL-HNNXBMFYSA-N 1 0 367.471 2.406 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000369824998 556705255 /nfs/dbraw/zinc/70/52/55/556705255.db2.gz FJTZZGWLGCANGG-CZUORRHYSA-N 1 0 352.341 2.268 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)c1 ZINC000516570674 562048624 /nfs/dbraw/zinc/04/86/24/562048624.db2.gz WIOPMXOIKZTTCE-LESCRADOSA-N 1 0 352.431 2.255 20 5 FEBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C1CC[NH+](C)CC1 ZINC000370121532 556786400 /nfs/dbraw/zinc/78/64/00/556786400.db2.gz MSHMXYZOQFCOFC-CQSZACIVSA-N 1 0 359.474 2.168 20 5 FEBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1F)C1(N2CCOCC2)CCCC1 ZINC000370141343 556791877 /nfs/dbraw/zinc/79/18/77/556791877.db2.gz GLHDIRYRFNILOI-ZDUSSCGKSA-N 1 0 365.405 2.497 20 5 FEBDRO O=C(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)NC1CC[NH+](C2CC2)CC1 ZINC000516877953 562062443 /nfs/dbraw/zinc/06/24/43/562062443.db2.gz RTMWABFWICDQDT-UHFFFAOYSA-N 1 0 369.425 2.201 20 5 FEBDRO COCCC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000370537802 556902866 /nfs/dbraw/zinc/90/28/66/556902866.db2.gz BZXNVLMQSMMZSO-UHFFFAOYSA-N 1 0 365.430 2.238 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760601 556960449 /nfs/dbraw/zinc/96/04/49/556960449.db2.gz RZCSSGTXFPAAQK-KTJBFALPSA-N 1 0 359.426 2.225 20 5 FEBDRO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370820512 556979671 /nfs/dbraw/zinc/97/96/71/556979671.db2.gz PKOIUHISEQSJSK-DVBCCOPCSA-N 1 0 372.469 2.235 20 5 FEBDRO C[NH+](C)CCn1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000517040542 562073212 /nfs/dbraw/zinc/07/32/12/562073212.db2.gz RXDRWGCFBQFSFI-UHFFFAOYSA-N 1 0 359.430 2.106 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1 ZINC000371224205 557111891 /nfs/dbraw/zinc/11/18/91/557111891.db2.gz WOOBGBJBKCAKDR-HNNXBMFYSA-N 1 0 367.413 2.039 20 5 FEBDRO C[C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCC1 ZINC000517269051 562083721 /nfs/dbraw/zinc/08/37/21/562083721.db2.gz VYTILNJZCRNLNK-AWEZNQCLSA-N 1 0 362.430 2.231 20 5 FEBDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517442155 562090516 /nfs/dbraw/zinc/09/05/16/562090516.db2.gz NBPPIWVKAFEJKS-DZGCQCFKSA-N 1 0 367.471 2.455 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517595594 562093524 /nfs/dbraw/zinc/09/35/24/562093524.db2.gz BREWBIMWCBAEOT-GJZGRUSLSA-N 1 0 364.446 2.393 20 5 FEBDRO C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784304 557292566 /nfs/dbraw/zinc/29/25/66/557292566.db2.gz RGJKKDGUWXTOKY-WFASDCNBSA-N 1 0 365.405 2.207 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371872662 557316170 /nfs/dbraw/zinc/31/61/70/557316170.db2.gz MPBQYLFIRPTOSR-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000372028934 557361344 /nfs/dbraw/zinc/36/13/44/557361344.db2.gz UHINHIVSVFKOGY-HHXXYDBFSA-N 1 0 372.469 2.336 20 5 FEBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000518962251 562121983 /nfs/dbraw/zinc/12/19/83/562121983.db2.gz HPZAHDCWTNBUKL-UHFFFAOYSA-N 1 0 358.398 2.328 20 5 FEBDRO O=C(Nc1cccc2c1CC[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519140407 562125711 /nfs/dbraw/zinc/12/57/11/562125711.db2.gz ALMCCGUURNPXJS-UHFFFAOYSA-N 1 0 355.350 2.264 20 5 FEBDRO O=c1[nH]c(CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000372473014 557480012 /nfs/dbraw/zinc/48/00/12/557480012.db2.gz OFLRPPYGUHOKTF-ZDUSSCGKSA-N 1 0 368.397 2.320 20 5 FEBDRO C[C@H](OC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000519600834 562136530 /nfs/dbraw/zinc/13/65/30/562136530.db2.gz YOVKLPUHZYJBOX-LRDDRELGSA-N 1 0 368.821 2.173 20 5 FEBDRO COc1cccc2c1C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000519766216 562143172 /nfs/dbraw/zinc/14/31/72/562143172.db2.gz XUSZUMZSPGTPDB-HOCLYGCPSA-N 1 0 358.394 2.100 20 5 FEBDRO [NH3+]C1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000373027953 557613125 /nfs/dbraw/zinc/61/31/25/557613125.db2.gz GSSFNMSSHLMTQI-FUHWJXTLSA-N 1 0 358.442 2.076 20 5 FEBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000373063881 557619805 /nfs/dbraw/zinc/61/98/05/557619805.db2.gz RADJLKBSQAVBJU-YOEHRIQHSA-N 1 0 359.474 2.025 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471135 557699849 /nfs/dbraw/zinc/69/98/49/557699849.db2.gz KJVICLYMSZBBDF-HUUCEWRRSA-N 1 0 364.450 2.012 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000373939096 557791792 /nfs/dbraw/zinc/79/17/92/557791792.db2.gz QMZUDMDEIVYUPL-QWHCGFSZSA-N 1 0 363.414 2.359 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000374433332 557883506 /nfs/dbraw/zinc/88/35/06/557883506.db2.gz AOYHVMYBUBVWOZ-GJZGRUSLSA-N 1 0 356.382 2.279 20 5 FEBDRO COc1cccc([C@H]2[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000374761893 557927302 /nfs/dbraw/zinc/92/73/02/557927302.db2.gz CAJAKILNYJMLBX-MOPGFXCFSA-N 1 0 371.441 2.368 20 5 FEBDRO O=C(CN1CC[C@H](O)c2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374949894 557955392 /nfs/dbraw/zinc/95/53/92/557955392.db2.gz SNHYIXOPKMWPRA-IBGZPJMESA-N 1 0 367.405 2.423 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000374968516 557957732 /nfs/dbraw/zinc/95/77/32/557957732.db2.gz IOQPEXOINOMTPB-UHFFFAOYSA-N 1 0 366.487 2.146 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000375049949 557969722 /nfs/dbraw/zinc/96/97/22/557969722.db2.gz PGDPITGYSFASTR-MSOLQXFVSA-N 1 0 355.394 2.479 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000375062040 557972142 /nfs/dbraw/zinc/97/21/42/557972142.db2.gz RVZFWQPKNNNBOI-BEFAXECRSA-N 1 0 372.469 2.364 20 5 FEBDRO CCOc1cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000375430137 558025816 /nfs/dbraw/zinc/02/58/16/558025816.db2.gz WFZIAWLOHBYZPD-IRXDYDNUSA-N 1 0 363.458 2.415 20 5 FEBDRO COc1ccc(OCCN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128769 558130474 /nfs/dbraw/zinc/13/04/74/558130474.db2.gz HBZAUJDCEWQPKJ-KDOFPFPSSA-N 1 0 366.414 2.252 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376345285 558160891 /nfs/dbraw/zinc/16/08/91/558160891.db2.gz ZQQSBPJLORJOQB-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569792 558191849 /nfs/dbraw/zinc/19/18/49/558191849.db2.gz PXSXQGCPZYQMOT-KDOFPFPSSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000377296234 558308755 /nfs/dbraw/zinc/30/87/55/558308755.db2.gz DYXIJWUSABHUNG-HNAYVOBHSA-N 1 0 371.441 2.254 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377389800 558331679 /nfs/dbraw/zinc/33/16/79/558331679.db2.gz IHUSTWBURATZGY-CQSZACIVSA-N 1 0 367.413 2.493 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000377637018 558382929 /nfs/dbraw/zinc/38/29/29/558382929.db2.gz NFYVFZSUMCULRK-CQSZACIVSA-N 1 0 370.409 2.071 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000377693741 558398552 /nfs/dbraw/zinc/39/85/52/558398552.db2.gz HRODWFISVJUWGV-UHFFFAOYSA-N 1 0 370.409 2.441 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@@H+]2C)cn1 ZINC000377693822 558399375 /nfs/dbraw/zinc/39/93/75/558399375.db2.gz CKWOITGVHFYSAO-APPDUMDISA-N 1 0 371.401 2.360 20 5 FEBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000522592688 562200150 /nfs/dbraw/zinc/20/01/50/562200150.db2.gz JHMRVDCVNNRBHR-AWEZNQCLSA-N 1 0 371.441 2.089 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378024520 558465424 /nfs/dbraw/zinc/46/54/24/558465424.db2.gz NRHAWPDRJNEZDX-LBPRGKRZSA-N 1 0 373.862 2.258 20 5 FEBDRO COC(=O)c1cc(N2CC[NH+]([C@H]3CCSC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000378183196 558498316 /nfs/dbraw/zinc/49/83/16/558498316.db2.gz KFKWNBVFHOJJSK-ZDUSSCGKSA-N 1 0 365.455 2.317 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000378222768 558505585 /nfs/dbraw/zinc/50/55/85/558505585.db2.gz IBTSWTIWLKYGCT-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000378249301 558511189 /nfs/dbraw/zinc/51/11/89/558511189.db2.gz FZKCLOLOBFGRDR-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253328 558512340 /nfs/dbraw/zinc/51/23/40/558512340.db2.gz QJKBLYBBUWHAAM-KZNAEPCWSA-N 1 0 361.442 2.494 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000378256125 558512937 /nfs/dbraw/zinc/51/29/37/558512937.db2.gz ZFBIMRPKAOBMJX-FGWVZKOKSA-N 1 0 359.835 2.281 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000378311777 558526908 /nfs/dbraw/zinc/52/69/08/558526908.db2.gz HUWIWRKISAHVCY-INIZCTEOSA-N 1 0 353.444 2.047 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(C)c([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000378347088 558534733 /nfs/dbraw/zinc/53/47/33/558534733.db2.gz BXWPJCFAPNRIIW-HZPDHXFCSA-N 1 0 371.441 2.412 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603876 558592234 /nfs/dbraw/zinc/59/22/34/558592234.db2.gz FDTZJOBXGXOLBF-GDBMZVCRSA-N 1 0 371.441 2.311 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390924192 558613389 /nfs/dbraw/zinc/61/33/89/558613389.db2.gz YIDBKDZQRYURFJ-UHFFFAOYSA-N 1 0 372.473 2.349 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239627 558659722 /nfs/dbraw/zinc/65/97/22/558659722.db2.gz ZTOCLZOAYMCPFZ-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457527 558693828 /nfs/dbraw/zinc/69/38/28/558693828.db2.gz TZGUGXDBBPPDRW-GDBMZVCRSA-N 1 0 357.414 2.133 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000524871995 562236454 /nfs/dbraw/zinc/23/64/54/562236454.db2.gz MQJKAPPVFMKFMI-TZMCWYRMSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000411306240 558872958 /nfs/dbraw/zinc/87/29/58/558872958.db2.gz YRLIWNNMPFJEFA-UKRRQHHQSA-N 1 0 362.430 2.173 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411317739 558875562 /nfs/dbraw/zinc/87/55/62/558875562.db2.gz PDBWZGFXSCDUDD-CJNGLKHVSA-N 1 0 363.414 2.433 20 5 FEBDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411421113 558891941 /nfs/dbraw/zinc/89/19/41/558891941.db2.gz IBRAQHPVAJDAKE-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)C[NH+]2CCCC2)c1F ZINC000411513136 558908191 /nfs/dbraw/zinc/90/81/91/558908191.db2.gz UCWYEJDEGUVYFI-GFCCVEGCSA-N 1 0 353.394 2.133 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000411655729 558937106 /nfs/dbraw/zinc/93/71/06/558937106.db2.gz MKVMXJBOHHXSPV-HIFRSBDPSA-N 1 0 351.403 2.049 20 5 FEBDRO O=C(CC[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411660192 558938178 /nfs/dbraw/zinc/93/81/78/558938178.db2.gz ALUCBGGELATIKY-OAHLLOKOSA-N 1 0 353.444 2.113 20 5 FEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411728880 558951530 /nfs/dbraw/zinc/95/15/30/558951530.db2.gz VMOWANIWIAISSN-OAHLLOKOSA-N 1 0 362.430 2.304 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411899284 558984571 /nfs/dbraw/zinc/98/45/71/558984571.db2.gz BJQPUIWZMLHRLL-ZWKOTPCHSA-N 1 0 361.442 2.315 20 5 FEBDRO COC(=O)[C@@]1(C)CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412105120 559014222 /nfs/dbraw/zinc/01/42/22/559014222.db2.gz OPUFIDXXAOWGED-KRWDZBQOSA-N 1 0 352.387 2.257 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCN2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000413026118 559070894 /nfs/dbraw/zinc/07/08/94/559070894.db2.gz IICHBUDPOQEWMY-UHFFFAOYSA-N 1 0 359.405 2.359 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000413375821 559103176 /nfs/dbraw/zinc/10/31/76/559103176.db2.gz TUZQCXQTCWLEOU-UHFFFAOYSA-N 1 0 353.419 2.032 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)c2ncccc12 ZINC000413400189 559105072 /nfs/dbraw/zinc/10/50/72/559105072.db2.gz KHKJTIDHCAZUIM-UHFFFAOYSA-N 1 0 372.425 2.436 20 5 FEBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000413506311 559112691 /nfs/dbraw/zinc/11/26/91/559112691.db2.gz VOQKWSXLUQFUBL-JTQLQIEISA-N 1 0 361.320 2.155 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414307471 559155575 /nfs/dbraw/zinc/15/55/75/559155575.db2.gz UTHPHPMUGKYLAO-ZBINZKHDSA-N 1 0 357.357 2.450 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415477358 559241571 /nfs/dbraw/zinc/24/15/71/559241571.db2.gz NNMMFAWMFMZMBV-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415485420 559242159 /nfs/dbraw/zinc/24/21/59/559242159.db2.gz QEGXZGIYEYKKNS-AWEZNQCLSA-N 1 0 362.430 2.431 20 5 FEBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415591364 559253600 /nfs/dbraw/zinc/25/36/00/559253600.db2.gz AOSWFRZBEFKLDC-GFCCVEGCSA-N 1 0 352.391 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC2([NH3+])CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000415597348 559254087 /nfs/dbraw/zinc/25/40/87/559254087.db2.gz JIINNGYHUCYVFH-UHFFFAOYSA-N 1 0 364.402 2.473 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415599522 559254292 /nfs/dbraw/zinc/25/42/92/559254292.db2.gz MUMPONOKJPSCOU-CYBMUJFWSA-N 1 0 362.386 2.048 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415692609 559262527 /nfs/dbraw/zinc/26/25/27/559262527.db2.gz HHMQPBQZYUHFCC-VHSXEESVSA-N 1 0 369.219 2.431 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415701750 559263612 /nfs/dbraw/zinc/26/36/12/559263612.db2.gz OOXYPAVTFOQALW-VHSXEESVSA-N 1 0 369.219 2.431 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415884703 559281164 /nfs/dbraw/zinc/28/11/64/559281164.db2.gz DNKFWWUCWCQUPU-UHFFFAOYSA-N 1 0 374.441 2.257 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000416034794 559290266 /nfs/dbraw/zinc/29/02/66/559290266.db2.gz UKZMERIHQMQFBV-LLVKDONJSA-N 1 0 368.743 2.370 20 5 FEBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000416553521 559321378 /nfs/dbraw/zinc/32/13/78/559321378.db2.gz CNWXKIQRTCIBAD-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416661889 559328404 /nfs/dbraw/zinc/32/84/04/559328404.db2.gz NHOXKKXCOMIRAY-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000416664596 559328574 /nfs/dbraw/zinc/32/85/74/559328574.db2.gz SXQZLLDMKMULEJ-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417940180 559382830 /nfs/dbraw/zinc/38/28/30/559382830.db2.gz LNJMYDUXTBRUTL-ZWKOTPCHSA-N 1 0 354.410 2.192 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417997837 559385789 /nfs/dbraw/zinc/38/57/89/559385789.db2.gz UMLRFYCNBOVDIB-KGLIPLIRSA-N 1 0 352.822 2.327 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418087246 559389730 /nfs/dbraw/zinc/38/97/30/559389730.db2.gz GNULKRGGGJOPEU-RYUDHWBXSA-N 1 0 372.347 2.365 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418087247 559389820 /nfs/dbraw/zinc/38/98/20/559389820.db2.gz GNULKRGGGJOPEU-VXGBXAGGSA-N 1 0 372.347 2.365 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390585 559484739 /nfs/dbraw/zinc/48/47/39/559484739.db2.gz YLSIWWPMXCYWNW-FZKQIMNGSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420397027 559485282 /nfs/dbraw/zinc/48/52/82/559485282.db2.gz FUOHCHRNWKIXGC-SFHVURJKSA-N 1 0 354.410 2.488 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420410706 559486240 /nfs/dbraw/zinc/48/62/40/559486240.db2.gz RGIXWCMPGCPQJH-GOSISDBHSA-N 1 0 354.410 2.488 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000420444479 559487718 /nfs/dbraw/zinc/48/77/18/559487718.db2.gz ZIMJRSKIYBWEGN-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420445987 559487863 /nfs/dbraw/zinc/48/78/63/559487863.db2.gz NQRKVSZBRAMSKP-NSHDSACASA-N 1 0 361.851 2.367 20 5 FEBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000421036614 559521202 /nfs/dbraw/zinc/52/12/02/559521202.db2.gz QOSPQVGLOWPGNO-AWEZNQCLSA-N 1 0 365.430 2.406 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421707687 559550257 /nfs/dbraw/zinc/55/02/57/559550257.db2.gz YDBNJNMPBMIZJG-HNNXBMFYSA-N 1 0 357.414 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422555309 559594806 /nfs/dbraw/zinc/59/48/06/559594806.db2.gz PAIZWQPCRRNJIE-OBJOEFQTSA-N 1 0 355.460 2.206 20 5 FEBDRO COc1cc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000422627087 559598617 /nfs/dbraw/zinc/59/86/17/559598617.db2.gz MRUKHKOPNFCLAB-GFCCVEGCSA-N 1 0 357.366 2.142 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422640045 559599448 /nfs/dbraw/zinc/59/94/48/559599448.db2.gz UQZWQJBHOBFXRE-IJLUTSLNSA-N 1 0 354.838 2.492 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422732424 559604822 /nfs/dbraw/zinc/60/48/22/559604822.db2.gz OJDUGIHBUCNEFD-UHFFFAOYSA-N 1 0 358.398 2.298 20 5 FEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411996 559628311 /nfs/dbraw/zinc/62/83/11/559628311.db2.gz GRVNQUBJTOIZAT-HOCLYGCPSA-N 1 0 361.446 2.300 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000423516231 559630895 /nfs/dbraw/zinc/63/08/95/559630895.db2.gz SZGVVFKFFYAPDF-LBPRGKRZSA-N 1 0 356.382 2.457 20 5 FEBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000423673431 559635729 /nfs/dbraw/zinc/63/57/29/559635729.db2.gz OQEGRFCROQJYMF-ONGXEEELSA-N 1 0 360.336 2.364 20 5 FEBDRO [NH3+]C1CC[NH+](CCCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000423746374 559638127 /nfs/dbraw/zinc/63/81/27/559638127.db2.gz RBVZHSNXYIQADV-UHFFFAOYSA-N 1 0 356.810 2.096 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000424056096 559652910 /nfs/dbraw/zinc/65/29/10/559652910.db2.gz BOYIKHQCABCPMQ-GVXVVHGQSA-N 1 0 351.403 2.057 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425548549 559709123 /nfs/dbraw/zinc/70/91/23/559709123.db2.gz NBAPICSUOKJQKO-ZYHUDNBSSA-N 1 0 355.358 2.313 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)n1 ZINC000425615706 559711683 /nfs/dbraw/zinc/71/16/83/559711683.db2.gz ZVJNQCKORJRDMY-CQSZACIVSA-N 1 0 357.414 2.334 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000425617914 559711692 /nfs/dbraw/zinc/71/16/92/559711692.db2.gz CUBVMNDWFVSQCA-UHFFFAOYSA-N 1 0 350.419 2.478 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)n1 ZINC000427399252 559754816 /nfs/dbraw/zinc/75/48/16/559754816.db2.gz NXBHKALTOFMZED-ZIAGYGMSSA-N 1 0 351.451 2.442 20 5 FEBDRO CC[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000428012974 559767403 /nfs/dbraw/zinc/76/74/03/559767403.db2.gz WMDZPTWXNXSONH-UHFFFAOYSA-N 1 0 358.398 2.122 20 5 FEBDRO CCC(C)(C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000428663311 559780642 /nfs/dbraw/zinc/78/06/42/559780642.db2.gz GVQPUPOSNRZZMS-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000429351432 559796602 /nfs/dbraw/zinc/79/66/02/559796602.db2.gz GEHREQSVXLEEMS-ZDUSSCGKSA-N 1 0 351.403 2.249 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000430690357 559826483 /nfs/dbraw/zinc/82/64/83/559826483.db2.gz DCAIUZWAYYXWES-MRXNPFEDSA-N 1 0 357.414 2.289 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CC12CCCCC2 ZINC000431100406 559834093 /nfs/dbraw/zinc/83/40/93/559834093.db2.gz LVNGUSLSIRENJT-UHFFFAOYSA-N 1 0 362.430 2.150 20 5 FEBDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000431643826 559843211 /nfs/dbraw/zinc/84/32/11/559843211.db2.gz DYNTXEJMJDFHOE-UHFFFAOYSA-N 1 0 372.425 2.267 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H]2c2cnn(C)c2C)c([N+](=O)[O-])cc1F ZINC000431974818 559849710 /nfs/dbraw/zinc/84/97/10/559849710.db2.gz VBQIJQZYVSUJCZ-WMLDXEAASA-N 1 0 364.377 2.404 20 5 FEBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433057453 559870857 /nfs/dbraw/zinc/87/08/57/559870857.db2.gz LOJAFOFBQUBORB-INIZCTEOSA-N 1 0 367.471 2.188 20 5 FEBDRO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193609 559873163 /nfs/dbraw/zinc/87/31/63/559873163.db2.gz RKZNZSUSUMBSCV-HZPDHXFCSA-N 1 0 370.471 2.179 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[NH2+][C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434703248 559906860 /nfs/dbraw/zinc/90/68/60/559906860.db2.gz RENAYIQRGCZIIC-PXAZEXFGSA-N 1 0 371.441 2.327 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000441381178 560030693 /nfs/dbraw/zinc/03/06/93/560030693.db2.gz IPKKSQGTTZFDDD-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441642626 560036947 /nfs/dbraw/zinc/03/69/47/560036947.db2.gz HGAVSQZTTNAQME-KGLIPLIRSA-N 1 0 361.398 2.251 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444159904 560103542 /nfs/dbraw/zinc/10/35/42/560103542.db2.gz VCKSFHHKQNPWRL-NHYWBVRUSA-N 1 0 372.347 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCC[NH+]1CCN(CCO)CC1 ZINC000444839145 560122244 /nfs/dbraw/zinc/12/22/44/560122244.db2.gz XWSFOHUMAZMRDG-UHFFFAOYSA-N 1 0 370.881 2.359 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444902738 560124335 /nfs/dbraw/zinc/12/43/35/560124335.db2.gz WQXNOHCUDQYLBN-CYBMUJFWSA-N 1 0 354.407 2.082 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446899657 560153162 /nfs/dbraw/zinc/15/31/62/560153162.db2.gz KDJZTWIQBYLYDP-NWDGAFQWSA-N 1 0 360.418 2.095 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446904664 560153317 /nfs/dbraw/zinc/15/33/17/560153317.db2.gz BSOHQTADJHTNRT-OLZOCXBDSA-N 1 0 374.445 2.485 20 5 FEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514738 560163605 /nfs/dbraw/zinc/16/36/05/560163605.db2.gz HJQMBACNDMKQFP-IKGGRYGDSA-N 1 0 365.478 2.221 20 5 FEBDRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447575822 560164688 /nfs/dbraw/zinc/16/46/88/560164688.db2.gz VDKFELUWZZVGMH-HZPDHXFCSA-N 1 0 357.414 2.206 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000447943566 560174239 /nfs/dbraw/zinc/17/42/39/560174239.db2.gz KGEUXHLXSDXKGX-INIZCTEOSA-N 1 0 369.487 2.177 20 5 FEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449700310 560237199 /nfs/dbraw/zinc/23/71/99/560237199.db2.gz AQGIFWIKOLUTKD-GFCCVEGCSA-N 1 0 356.220 2.475 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449735783 560238552 /nfs/dbraw/zinc/23/85/52/560238552.db2.gz VATVWLRIPGIFKR-SMDDNHRTSA-N 1 0 368.231 2.110 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449992137 560247578 /nfs/dbraw/zinc/24/75/78/560247578.db2.gz WVGXXNJEHWHJOK-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450257912 560256165 /nfs/dbraw/zinc/25/61/65/560256165.db2.gz NZSYHEYBHDOXHG-AWEZNQCLSA-N 1 0 373.457 2.011 20 5 FEBDRO CC[C@@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000450310182 560257991 /nfs/dbraw/zinc/25/79/91/560257991.db2.gz CPUTZIRHNOLZLG-ZIAGYGMSSA-N 1 0 374.441 2.433 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)nc1-c1ccccc1 ZINC000450588016 560267146 /nfs/dbraw/zinc/26/71/46/560267146.db2.gz ASOXXHBDFAGFBT-MRXNPFEDSA-N 1 0 356.426 2.916 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450877033 560276439 /nfs/dbraw/zinc/27/64/39/560276439.db2.gz GZFJDJFRILCYFW-UHFFFAOYSA-N 1 0 355.398 2.367 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306169 560299152 /nfs/dbraw/zinc/29/91/52/560299152.db2.gz RNUPDQJICSCBKN-LNSITVRQSA-N 1 0 354.378 2.104 20 5 FEBDRO COc1ccc(OCC[NH2+]C2(C(=O)N(C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000451406764 560305086 /nfs/dbraw/zinc/30/50/86/560305086.db2.gz SBJXROVHBPEJLX-UHFFFAOYSA-N 1 0 365.430 2.363 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000451487020 560310009 /nfs/dbraw/zinc/31/00/09/560310009.db2.gz KSOAMSGRCTZZOT-YOEHRIQHSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496056 560310378 /nfs/dbraw/zinc/31/03/78/560310378.db2.gz LQQKMDJKLLGMHE-CABCVRRESA-N 1 0 351.403 2.335 20 5 FEBDRO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548015 560313766 /nfs/dbraw/zinc/31/37/66/560313766.db2.gz LYOSBYOHTZSULR-FUHWJXTLSA-N 1 0 374.485 2.327 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560105 560314691 /nfs/dbraw/zinc/31/46/91/560314691.db2.gz HVENEAWWTMUBRK-MLGOLLRUSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451700965 560323190 /nfs/dbraw/zinc/32/31/90/560323190.db2.gz YZTLGRPMIIZWHH-RBSFLKMASA-N 1 0 350.415 2.465 20 5 FEBDRO CCn1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000451885299 560334849 /nfs/dbraw/zinc/33/48/49/560334849.db2.gz FDZVDTOFVRGHEG-NWDGAFQWSA-N 1 0 361.402 2.498 20 5 FEBDRO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000452571654 560367938 /nfs/dbraw/zinc/36/79/38/560367938.db2.gz HQLAXLAZHPNAGY-AWEZNQCLSA-N 1 0 369.425 2.233 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@@H]21 ZINC000453029763 560381677 /nfs/dbraw/zinc/38/16/77/560381677.db2.gz HRCDVJCNBAYHDH-QRWLVFNGSA-N 1 0 361.445 2.317 20 5 FEBDRO COc1cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1OCC(F)F ZINC000453592727 560390227 /nfs/dbraw/zinc/39/02/27/560390227.db2.gz TWHWEMSBHPBUCT-MRXNPFEDSA-N 1 0 373.356 2.006 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454105402 560429739 /nfs/dbraw/zinc/42/97/39/560429739.db2.gz NSRXXLYXAPCPKN-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454197747 560434107 /nfs/dbraw/zinc/43/41/07/560434107.db2.gz KWRKUIKWWFAKNN-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455094915 560469969 /nfs/dbraw/zinc/46/99/69/560469969.db2.gz POTDWDBZNJDKHZ-WMLDXEAASA-N 1 0 364.446 2.312 20 5 FEBDRO CNc1nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455946462 560501555 /nfs/dbraw/zinc/50/15/55/560501555.db2.gz VQPVKKZUGUOUQJ-HNNXBMFYSA-N 1 0 369.425 2.378 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346302 560516379 /nfs/dbraw/zinc/51/63/79/560516379.db2.gz SVCTUPRNJZQNKX-AWEZNQCLSA-N 1 0 371.441 2.474 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457089725 560547998 /nfs/dbraw/zinc/54/79/98/560547998.db2.gz QJOABPNXJAGJNM-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457899752 560593194 /nfs/dbraw/zinc/59/31/94/560593194.db2.gz KFMMRVGLMYQVEV-OAHLLOKOSA-N 1 0 350.419 2.228 20 5 FEBDRO CCOc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458178273 560607197 /nfs/dbraw/zinc/60/71/97/560607197.db2.gz WPQWIPKYIJCQIX-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458198316 560608407 /nfs/dbraw/zinc/60/84/07/560608407.db2.gz HNLCVEFJBLCHST-UHFFFAOYSA-N 1 0 351.432 2.146 20 5 FEBDRO CO[C@H]1C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000459758911 560706748 /nfs/dbraw/zinc/70/67/48/560706748.db2.gz LOIYAOPJRPXKAT-HOTGVXAUSA-N 1 0 361.398 2.440 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464858490 560853723 /nfs/dbraw/zinc/85/37/23/560853723.db2.gz WWJBHZTULRILPL-CJNGLKHVSA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716784 560915661 /nfs/dbraw/zinc/91/56/61/560915661.db2.gz VGJAFSZZJZWXEX-SJCJKPOMSA-N 1 0 369.425 2.208 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000467799826 560917590 /nfs/dbraw/zinc/91/75/90/560917590.db2.gz QSEDWPKNKKMPGA-CYBMUJFWSA-N 1 0 371.434 2.086 20 5 FEBDRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000470083331 560973867 /nfs/dbraw/zinc/97/38/67/560973867.db2.gz VEOJBBFMCISBKV-CQSZACIVSA-N 1 0 365.430 2.224 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112779 560974490 /nfs/dbraw/zinc/97/44/90/560974490.db2.gz FQDVMIJCMYCQCG-UHFFFAOYSA-N 1 0 367.425 2.224 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470150026 560975403 /nfs/dbraw/zinc/97/54/03/560975403.db2.gz GBQJHKOBNMRTRV-MLGOLLRUSA-N 1 0 358.398 2.379 20 5 FEBDRO Cn1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000471382812 561003462 /nfs/dbraw/zinc/00/34/62/561003462.db2.gz IPZFLBLSUSUJSX-IYBDPMFKSA-N 1 0 354.410 2.137 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362374 561025036 /nfs/dbraw/zinc/02/50/36/561025036.db2.gz VYROELZFXYLMKX-KRWDZBQOSA-N 1 0 362.474 2.205 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000473296032 561046938 /nfs/dbraw/zinc/04/69/38/561046938.db2.gz BEEUNJGLEICUNI-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932595 561061068 /nfs/dbraw/zinc/06/10/68/561061068.db2.gz MDNLUDOPHMUSOC-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985009 561062924 /nfs/dbraw/zinc/06/29/24/561062924.db2.gz RHOAOBYDKDNWFK-SWLSCSKDSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000474001005 561063163 /nfs/dbraw/zinc/06/31/63/561063163.db2.gz OWPJGPYJEFLQAM-OCCSQVGLSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000474025122 561063820 /nfs/dbraw/zinc/06/38/20/561063820.db2.gz ZYLXVEXAKYXXDH-NSHDSACASA-N 1 0 365.411 2.496 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474357185 561071983 /nfs/dbraw/zinc/07/19/83/561071983.db2.gz PXLPYFCXZRSOAG-HNNXBMFYSA-N 1 0 372.377 2.240 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(CCCO)CC2)cc1[N+](=O)[O-] ZINC000475099378 561090492 /nfs/dbraw/zinc/09/04/92/561090492.db2.gz XOSAVKCAGFMXKN-UHFFFAOYSA-N 1 0 366.414 2.131 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475209492 561092960 /nfs/dbraw/zinc/09/29/60/561092960.db2.gz DUUIPDFSRDUHSP-UHFFFAOYSA-N 1 0 364.324 2.313 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000475570085 561100081 /nfs/dbraw/zinc/10/00/81/561100081.db2.gz DPKBXAYWGXSRET-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475713844 561103021 /nfs/dbraw/zinc/10/30/21/561103021.db2.gz FSEJUDVGHHDGIH-KBPBESRZSA-N 1 0 365.430 2.061 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000476634027 561124956 /nfs/dbraw/zinc/12/49/56/561124956.db2.gz RPUVNLUZULIWGO-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000530596105 562417075 /nfs/dbraw/zinc/41/70/75/562417075.db2.gz UIOWGJHDQBTECU-HNNXBMFYSA-N 1 0 364.446 2.209 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)CC(C)C ZINC000531387049 562444346 /nfs/dbraw/zinc/44/43/46/562444346.db2.gz WQOXGPISZSROBH-ZDUSSCGKSA-N 1 0 372.491 2.411 20 5 FEBDRO CC1(C)CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000532011993 562463903 /nfs/dbraw/zinc/46/39/03/562463903.db2.gz WTQUUUQEJKHGHS-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)CC1 ZINC000534420750 562533832 /nfs/dbraw/zinc/53/38/32/562533832.db2.gz QBULRUXZVBLVJT-CYBMUJFWSA-N 1 0 357.414 2.412 20 5 FEBDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000535566588 562561558 /nfs/dbraw/zinc/56/15/58/562561558.db2.gz KVFRHALYCHZWSD-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000540995424 562599807 /nfs/dbraw/zinc/59/98/07/562599807.db2.gz NEHBHJNNTKPAKL-UHFFFAOYSA-N 1 0 357.414 2.456 20 5 FEBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375709 562610736 /nfs/dbraw/zinc/61/07/36/562610736.db2.gz WTTVDTJGOBATME-KGLIPLIRSA-N 1 0 355.460 2.289 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908372 562622983 /nfs/dbraw/zinc/62/29/83/562622983.db2.gz KXWWCQZXWRPBBX-HIFRSBDPSA-N 1 0 355.398 2.369 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000555903271 674380758 /nfs/dbraw/zinc/38/07/58/674380758.db2.gz HJKRCFGVMJYPAM-FZMZJTMJSA-N 1 0 352.391 2.118 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCSc3c(F)cccc32)c1 ZINC000555903272 674380773 /nfs/dbraw/zinc/38/07/73/674380773.db2.gz HJKRCFGVMJYPAM-RISCZKNCSA-N 1 0 352.391 2.118 20 5 FEBDRO CC1(C)CC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000604480018 568300226 /nfs/dbraw/zinc/30/02/26/568300226.db2.gz NDIJMNUCQLKOHF-UHFFFAOYSA-N 1 0 372.429 2.215 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cccc(F)c2F)c1 ZINC000569687133 568411840 /nfs/dbraw/zinc/41/18/40/568411840.db2.gz NLBRDGXPFYTEJX-AWEZNQCLSA-N 1 0 352.337 2.445 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000570212036 568461895 /nfs/dbraw/zinc/46/18/95/568461895.db2.gz MQBMQDVCUXONIE-JOCQHMNTSA-N 1 0 355.460 2.201 20 5 FEBDRO C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000570689378 568494538 /nfs/dbraw/zinc/49/45/38/568494538.db2.gz RQNIIGLXOICIPY-DOMZBBRYSA-N 1 0 360.380 2.424 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000570914000 568640554 /nfs/dbraw/zinc/64/05/54/568640554.db2.gz NENKCZYLMKRQQQ-HOCLYGCPSA-N 1 0 353.444 2.198 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925096 568717823 /nfs/dbraw/zinc/71/78/23/568717823.db2.gz CGYMMNKNEFJXQV-MRRJBJDNSA-N 1 0 367.833 2.397 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000736509697 598498922 /nfs/dbraw/zinc/49/89/22/598498922.db2.gz IVZDNGZMRQFIRO-UHFFFAOYSA-N 1 0 368.401 2.234 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027551 674479998 /nfs/dbraw/zinc/47/99/98/674479998.db2.gz YTMZRYZTVUJWSD-MJVIPROJSA-N 1 0 350.394 2.118 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640023 607470657 /nfs/dbraw/zinc/47/06/57/607470657.db2.gz PPGIBSFZPPNHER-WBMJQRKESA-N 1 0 369.429 2.228 20 5 FEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809807409 674510935 /nfs/dbraw/zinc/51/09/35/674510935.db2.gz DNZJGVPHTAGIOX-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916388 674519381 /nfs/dbraw/zinc/51/93/81/674519381.db2.gz IPGXRJVUVGERKX-NSHDSACASA-N 1 0 356.810 2.481 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000820076843 606199548 /nfs/dbraw/zinc/19/95/48/606199548.db2.gz UXYJUZLZTVYVMN-UHFFFAOYSA-N 1 0 374.449 2.340 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000885 606224322 /nfs/dbraw/zinc/22/43/22/606224322.db2.gz KXJSUPHBZCBIBA-GXTWGEPZSA-N 1 0 357.418 2.228 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820686573 606699473 /nfs/dbraw/zinc/69/94/73/606699473.db2.gz YKMXGSBRQQSZEQ-UPJWGTAASA-N 1 0 372.433 2.012 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000559588580 674548841 /nfs/dbraw/zinc/54/88/41/674548841.db2.gz PBKYJNIVUYMRRF-GFCCVEGCSA-N 1 0 364.427 2.861 20 5 FEBDRO COc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851656 674565222 /nfs/dbraw/zinc/56/52/22/674565222.db2.gz MWCZTECTYFJOFJ-NEPJUHHUSA-N 1 0 350.371 2.396 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000561355261 674659532 /nfs/dbraw/zinc/65/95/32/674659532.db2.gz JNHHKICNHNSYPK-UHFFFAOYSA-N 1 0 368.231 2.278 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812326328 674666489 /nfs/dbraw/zinc/66/64/89/674666489.db2.gz UZKZCFGWYXZGPW-MNOVXSKESA-N 1 0 368.231 2.381 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000561552443 674678884 /nfs/dbraw/zinc/67/88/84/674678884.db2.gz QPYLMNSDTMWGDE-CZUORRHYSA-N 1 0 367.471 2.405 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430995 674744578 /nfs/dbraw/zinc/74/45/78/674744578.db2.gz YXHKXLRBUOMMDD-MNOVXSKESA-N 1 0 374.224 2.495 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CC2)c1 ZINC000562986853 674831056 /nfs/dbraw/zinc/83/10/56/674831056.db2.gz JQPVGOAFSLTXQQ-OAHLLOKOSA-N 1 0 350.806 2.127 20 5 FEBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127971 674848312 /nfs/dbraw/zinc/84/83/12/674848312.db2.gz YLGRELJIGFTDDE-HTQZYQBOSA-N 1 0 355.338 2.018 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036178 674904412 /nfs/dbraw/zinc/90/44/12/674904412.db2.gz SBKGPCCBKJYNQF-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047147817 670235067 /nfs/dbraw/zinc/23/50/67/670235067.db2.gz VUKBCAQQVGSWEV-LLVKDONJSA-N 1 0 350.375 2.273 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000565080824 675093123 /nfs/dbraw/zinc/09/31/23/675093123.db2.gz DNNYZWWVGJGSCX-UHFFFAOYSA-N 1 0 350.419 2.619 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000065977962 670435928 /nfs/dbraw/zinc/43/59/28/670435928.db2.gz BUKVIEQYGDIGPG-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[NH+](C)C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569629632 670588760 /nfs/dbraw/zinc/58/87/60/670588760.db2.gz PVUJONRSICICII-AWEZNQCLSA-N 1 0 363.805 2.490 20 5 FEBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452249 675122447 /nfs/dbraw/zinc/12/24/47/675122447.db2.gz ZRPDHFHQARHJOX-NILFDRSVSA-N 1 0 356.444 2.018 20 5 FEBDRO Cc1c(C(=O)N(C)CC[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000103116483 670779810 /nfs/dbraw/zinc/77/98/10/670779810.db2.gz HSMKJCACAISNDP-UHFFFAOYSA-N 1 0 350.375 2.288 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000105424422 670801314 /nfs/dbraw/zinc/80/13/14/670801314.db2.gz LRSUYMBRIYRGGO-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC[NH2+]C1CC1 ZINC000571326682 670856209 /nfs/dbraw/zinc/85/62/09/670856209.db2.gz OOSVZELHINXAPR-UHFFFAOYSA-N 1 0 356.220 2.158 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000572356811 670991938 /nfs/dbraw/zinc/99/19/38/670991938.db2.gz WZSCZOHBHUITKI-CABCVRRESA-N 1 0 350.415 2.416 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000572355858 670992119 /nfs/dbraw/zinc/99/21/19/670992119.db2.gz FLQBRQAIKYYLDJ-GFCCVEGCSA-N 1 0 351.403 2.346 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000572744015 671039249 /nfs/dbraw/zinc/03/92/49/671039249.db2.gz XSXPBQOFZDTOIM-CYBMUJFWSA-N 1 0 364.427 2.861 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020282 675168268 /nfs/dbraw/zinc/16/82/68/675168268.db2.gz KWEUHUSUXAIZOQ-RRFJBIMHSA-N 1 0 353.444 2.032 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566102118 675180706 /nfs/dbraw/zinc/18/07/06/675180706.db2.gz NPLALNOUUJGIAA-JRKPZEMJSA-N 1 0 356.220 2.474 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(N[C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000574352914 671229487 /nfs/dbraw/zinc/22/94/87/671229487.db2.gz QBYLTJPXZKWULJ-OAHLLOKOSA-N 1 0 370.475 2.035 20 5 FEBDRO CO[C@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000574444384 671241027 /nfs/dbraw/zinc/24/10/27/671241027.db2.gz SYXFEDCCEIXWTJ-RYUDHWBXSA-N 1 0 373.862 2.305 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000817879848 675184736 /nfs/dbraw/zinc/18/47/36/675184736.db2.gz HHXDBULFMZWJQT-GRYCIOLGSA-N 1 0 354.838 2.492 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000574917160 671286047 /nfs/dbraw/zinc/28/60/47/671286047.db2.gz VFBVVJLDEAPYGC-MRXNPFEDSA-N 1 0 367.471 2.310 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000576749421 671391667 /nfs/dbraw/zinc/39/16/67/671391667.db2.gz PLRIFBRTHXDYNS-CQSZACIVSA-N 1 0 367.789 2.052 20 5 FEBDRO CC(C)C[NH+]1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576789888 671394536 /nfs/dbraw/zinc/39/45/36/671394536.db2.gz FPNAYTNMKJKIHX-UHFFFAOYSA-N 1 0 369.487 2.079 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[NH+]2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000608838877 675905330 /nfs/dbraw/zinc/90/53/30/675905330.db2.gz BGFVJEFJWKEYTB-UHFFFAOYSA-N 1 0 351.451 2.181 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609132315 675911198 /nfs/dbraw/zinc/91/11/98/675911198.db2.gz CWESGYGBKIMITK-ZFWWWQNUSA-N 1 0 370.247 2.393 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1SC ZINC000577705683 671614468 /nfs/dbraw/zinc/61/44/68/671614468.db2.gz KWKSHRDSFICBRG-CQSZACIVSA-N 1 0 353.444 2.443 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000578435192 671664823 /nfs/dbraw/zinc/66/48/23/671664823.db2.gz YJEXZJCEHNLPJC-KRWDZBQOSA-N 1 0 351.403 2.122 20 5 FEBDRO Cc1ccccc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000578819171 671691198 /nfs/dbraw/zinc/69/11/98/671691198.db2.gz CXSQDEVWEGPOOU-UHFFFAOYSA-N 1 0 363.439 2.272 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000580890585 671843780 /nfs/dbraw/zinc/84/37/80/671843780.db2.gz NKAGTBDBYGHCKB-CJNGLKHVSA-N 1 0 367.471 2.405 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119345253 671897327 /nfs/dbraw/zinc/89/73/27/671897327.db2.gz KIQRUIQBMHWZPC-CYBMUJFWSA-N 1 0 369.468 2.108 20 5 FEBDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581571313 671912750 /nfs/dbraw/zinc/91/27/50/671912750.db2.gz IFFCTPDXTVSUNA-AWEZNQCLSA-N 1 0 369.487 2.477 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000120196141 671919226 /nfs/dbraw/zinc/91/92/26/671919226.db2.gz MFCYMJKIVUTSDP-CYBMUJFWSA-N 1 0 373.450 2.380 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610134957 675955887 /nfs/dbraw/zinc/95/58/87/675955887.db2.gz HLLDSCZPVUIBIM-UONOGXRCSA-N 1 0 355.460 2.397 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000610133759 675955954 /nfs/dbraw/zinc/95/59/54/675955954.db2.gz TWURPKONSDLKTE-OLZOCXBDSA-N 1 0 350.419 2.476 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000610135306 675956190 /nfs/dbraw/zinc/95/61/90/675956190.db2.gz PLMNXMXWPUCKQE-NEPJUHHUSA-N 1 0 359.423 2.227 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000610135397 675956221 /nfs/dbraw/zinc/95/62/21/675956221.db2.gz RCWVQNIBOYHXMA-UONOGXRCSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208723 675959143 /nfs/dbraw/zinc/95/91/43/675959143.db2.gz JJHJJGYOHGDFHU-TZMCWYRMSA-N 1 0 367.471 2.436 20 5 FEBDRO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000581967648 671953767 /nfs/dbraw/zinc/95/37/67/671953767.db2.gz AARKVMYNWCCSGV-FOSCPWQOSA-N 1 0 353.369 2.499 20 5 FEBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610264965 675962757 /nfs/dbraw/zinc/96/27/57/675962757.db2.gz GUYQKCLOGIMKCE-UHFFFAOYSA-N 1 0 370.475 2.122 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000582959768 672049721 /nfs/dbraw/zinc/04/97/21/672049721.db2.gz MRVDWOKGFXQAGG-JOYOIKCWSA-N 1 0 373.196 2.182 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000583083146 672062146 /nfs/dbraw/zinc/06/21/46/672062146.db2.gz ZOVHBRILITVYDA-WBMJQRKESA-N 1 0 351.378 2.092 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000583991870 672145345 /nfs/dbraw/zinc/14/53/45/672145345.db2.gz ANSMDVZIPWHZDD-WMLDXEAASA-N 1 0 368.455 2.260 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000151261691 672159496 /nfs/dbraw/zinc/15/94/96/672159496.db2.gz JPAABMQJFAYRIK-UHFFFAOYSA-N 1 0 373.862 2.294 20 5 FEBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221807 672374455 /nfs/dbraw/zinc/37/44/55/672374455.db2.gz ZXTTUEVKHKQPJL-HNNXBMFYSA-N 1 0 351.451 2.200 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178926760 672397099 /nfs/dbraw/zinc/39/70/99/672397099.db2.gz CZVIIOCUTALYSM-SNVBAGLBSA-N 1 0 361.851 2.305 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2cncn2C1 ZINC000587036164 672439978 /nfs/dbraw/zinc/43/99/78/672439978.db2.gz MBUISCGLCRUHBZ-CMPLNLGQSA-N 1 0 364.789 2.343 20 5 FEBDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189090 672512572 /nfs/dbraw/zinc/51/25/72/672512572.db2.gz ZQUYGIBUQOXLQQ-BLLLJJGKSA-N 1 0 366.805 2.201 20 5 FEBDRO C[C@H](O)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589254470 672517552 /nfs/dbraw/zinc/51/75/52/672517552.db2.gz FPCDYVMVRONVNE-QMMMGPOBSA-N 1 0 350.156 2.012 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590046969 672556717 /nfs/dbraw/zinc/55/67/17/672556717.db2.gz QEUYGKLGAQXGHI-IINYFYTJSA-N 1 0 368.231 2.442 20 5 FEBDRO C[C@@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611336047 676032918 /nfs/dbraw/zinc/03/29/18/676032918.db2.gz WNHOYGCDPHHCCV-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000590334331 672573785 /nfs/dbraw/zinc/57/37/85/672573785.db2.gz IGWIHPAMBDBGDM-CHWSQXEVSA-N 1 0 351.403 2.215 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590441777 672582907 /nfs/dbraw/zinc/58/29/07/672582907.db2.gz DWTBQEMPEBTJDY-RISCZKNCSA-N 1 0 353.806 2.180 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590447664 672583309 /nfs/dbraw/zinc/58/33/09/672583309.db2.gz ZCRQIEAYFWQJBQ-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590864 672593802 /nfs/dbraw/zinc/59/38/02/672593802.db2.gz KFVZTBALPDGPFY-WCQYABFASA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591126 672594080 /nfs/dbraw/zinc/59/40/80/672594080.db2.gz JTSCTMHLRQUKQF-WCQYABFASA-N 1 0 373.450 2.441 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611397509 676035612 /nfs/dbraw/zinc/03/56/12/676035612.db2.gz JHJNLCTZMFWWEU-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CCCCC1 ZINC000611463002 676038669 /nfs/dbraw/zinc/03/86/69/676038669.db2.gz LKCZVVBLFXBQPG-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591279338 672664386 /nfs/dbraw/zinc/66/43/86/672664386.db2.gz FACVGQPUBVQWTP-JOYOIKCWSA-N 1 0 356.329 2.412 20 5 FEBDRO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592184480 672768647 /nfs/dbraw/zinc/76/86/47/672768647.db2.gz MEQUTBGBTVBLBA-AWEZNQCLSA-N 1 0 361.320 2.104 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000195621184 672786732 /nfs/dbraw/zinc/78/67/32/672786732.db2.gz PBOGBOHFRJYMRZ-NEPJUHHUSA-N 1 0 350.375 2.353 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592375397 672794034 /nfs/dbraw/zinc/79/40/34/672794034.db2.gz RNVXILXSJOQVOD-GOEBONIOSA-N 1 0 367.471 2.310 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1OC ZINC000592543894 672812770 /nfs/dbraw/zinc/81/27/70/672812770.db2.gz VQCUIZLUFARFMK-CYBMUJFWSA-N 1 0 351.403 2.072 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592545159 672813472 /nfs/dbraw/zinc/81/34/72/672813472.db2.gz OJLGXFYOJBLDEB-DMDPSCGWSA-N 1 0 353.806 2.226 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592899995 672852506 /nfs/dbraw/zinc/85/25/06/672852506.db2.gz WOLNGBVHBNXSCY-UHFFFAOYSA-N 1 0 365.455 2.010 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH2+]C[C@@H]3C(F)F)o2)c1 ZINC000592982453 672860657 /nfs/dbraw/zinc/86/06/57/672860657.db2.gz GEWNQQWOTVRZRS-CYBMUJFWSA-N 1 0 352.341 2.331 20 5 FEBDRO C[C@H](CCO)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593107724 672877691 /nfs/dbraw/zinc/87/76/91/672877691.db2.gz HKONMSIRSIDIHB-SECBINFHSA-N 1 0 364.183 2.402 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC000593666756 672974660 /nfs/dbraw/zinc/97/46/60/672974660.db2.gz RDRSPLWXJQFIKY-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593731088 672984472 /nfs/dbraw/zinc/98/44/72/672984472.db2.gz RBJGVVSLWXRFGX-ABAIWWIYSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911099 673007450 /nfs/dbraw/zinc/00/74/50/673007450.db2.gz CXWJXYMRQNQURR-SCRDCRAPSA-N 1 0 353.444 2.323 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595121103 673197585 /nfs/dbraw/zinc/19/75/85/673197585.db2.gz VOYWQULQWGQTCD-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595498775 673258498 /nfs/dbraw/zinc/25/84/98/673258498.db2.gz AYGNVUHSJFULFL-CYBMUJFWSA-N 1 0 350.419 2.146 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000596165643 673364594 /nfs/dbraw/zinc/36/45/94/673364594.db2.gz MCVUUMYNLPEPDX-ZFWWWQNUSA-N 1 0 354.838 2.245 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[N@H+](C)C(C)C ZINC000596237422 673370993 /nfs/dbraw/zinc/37/09/93/673370993.db2.gz XIWSPRUJOPTDBF-CYBMUJFWSA-N 1 0 372.491 2.424 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000596288836 673374495 /nfs/dbraw/zinc/37/44/95/673374495.db2.gz HMRVTYLZJSOMOB-UHFFFAOYSA-N 1 0 352.435 2.393 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314763 673376677 /nfs/dbraw/zinc/37/66/77/673376677.db2.gz PDOJADKKLOCVHS-UHFFFAOYSA-N 1 0 354.838 2.368 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000538116468 673422443 /nfs/dbraw/zinc/42/24/43/673422443.db2.gz LFHJKHQHOBUEHF-HZPDHXFCSA-N 1 0 353.444 2.041 20 5 FEBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539396113 673488078 /nfs/dbraw/zinc/48/80/78/673488078.db2.gz UZFKZTNUSQJULQ-AWEZNQCLSA-N 1 0 364.423 2.426 20 5 FEBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000539396114 673488098 /nfs/dbraw/zinc/48/80/98/673488098.db2.gz UZFKZTNUSQJULQ-CQSZACIVSA-N 1 0 364.423 2.426 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000597708383 673501219 /nfs/dbraw/zinc/50/12/19/673501219.db2.gz KTBMXVWSVOXWLB-UHFFFAOYSA-N 1 0 356.220 2.299 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC=CCC2)cc1SC ZINC000539926215 673513655 /nfs/dbraw/zinc/51/36/55/673513655.db2.gz UQAKODCISXCFLY-UHFFFAOYSA-N 1 0 351.428 2.317 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670262 673596868 /nfs/dbraw/zinc/59/68/68/673596868.db2.gz SUABAZBCOPIROU-SUMWQHHRSA-N 1 0 365.455 2.176 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000598714665 673602588 /nfs/dbraw/zinc/60/25/88/673602588.db2.gz HJRNHALMWOCXIK-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000598716852 673602821 /nfs/dbraw/zinc/60/28/21/673602821.db2.gz TZVPPKGGEDMJMJ-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763966 673603365 /nfs/dbraw/zinc/60/33/65/673603365.db2.gz YUYQESCWZBKKPQ-UHFFFAOYSA-N 1 0 354.382 2.356 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542762666 673603411 /nfs/dbraw/zinc/60/34/11/673603411.db2.gz HLLPZFGGMZOSID-ZDUSSCGKSA-N 1 0 354.382 2.308 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)F)c([N+](=O)[O-])cc1OC ZINC000598986873 673626462 /nfs/dbraw/zinc/62/64/62/673626462.db2.gz GAIIKTJIMCFUHZ-LBPRGKRZSA-N 1 0 359.373 2.431 20 5 FEBDRO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000599023981 673629047 /nfs/dbraw/zinc/62/90/47/673629047.db2.gz WVUYNLSKUDHDCF-UHFFFAOYSA-N 1 0 353.373 2.282 20 5 FEBDRO CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073802 673631579 /nfs/dbraw/zinc/63/15/79/673631579.db2.gz RYSAYTSANYMWJG-BZUAXINKSA-N 1 0 355.460 2.496 20 5 FEBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000599073801 673631627 /nfs/dbraw/zinc/63/16/27/673631627.db2.gz RYSAYTSANYMWJG-ARFHVFGLSA-N 1 0 355.460 2.496 20 5 FEBDRO CN(CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599095063 673632562 /nfs/dbraw/zinc/63/25/62/673632562.db2.gz PMBHHTNRJDDRAM-OAHLLOKOSA-N 1 0 353.373 2.204 20 5 FEBDRO NS(=O)(=O)c1cccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127984 673635329 /nfs/dbraw/zinc/63/53/29/673635329.db2.gz SZECFNNZJABKGZ-ZDUSSCGKSA-N 1 0 368.459 2.061 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000740894709 673660055 /nfs/dbraw/zinc/66/00/55/673660055.db2.gz VSHLHQCEXPCIAZ-RYUDHWBXSA-N 1 0 359.423 2.227 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000599464947 673678915 /nfs/dbraw/zinc/67/89/15/673678915.db2.gz XXOQYGHMVYMGLF-INIZCTEOSA-N 1 0 353.444 2.031 20 5 FEBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCOCC1 ZINC000599603003 673696453 /nfs/dbraw/zinc/69/64/53/673696453.db2.gz BTRAGERGXXGYJI-UHFFFAOYSA-N 1 0 362.308 2.243 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000544597712 673719865 /nfs/dbraw/zinc/71/98/65/673719865.db2.gz ABUSYGLLSQBBFX-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO COC(=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000743871891 673774441 /nfs/dbraw/zinc/77/44/41/673774441.db2.gz AMBHLCLNDJBYBB-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000744344801 673794155 /nfs/dbraw/zinc/79/41/55/673794155.db2.gz FWTGLKQAAGZHBT-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000602492853 673906959 /nfs/dbraw/zinc/90/69/59/673906959.db2.gz YYMBJBMTADFRHB-GXSJLCMTSA-N 1 0 354.204 2.181 20 5 FEBDRO COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602541863 673907708 /nfs/dbraw/zinc/90/77/08/673907708.db2.gz RITFLJLPXVMDHT-GHMZBOCLSA-N 1 0 361.320 2.203 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000602768324 673910604 /nfs/dbraw/zinc/91/06/04/673910604.db2.gz MWAAGPQSPVJTNZ-UHFFFAOYSA-N 1 0 363.443 2.009 20 5 FEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000602960578 673914622 /nfs/dbraw/zinc/91/46/22/673914622.db2.gz MZDTYDSMQGVKIH-UHFFFAOYSA-N 1 0 363.443 2.377 20 5 FEBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548086222 673922053 /nfs/dbraw/zinc/92/20/53/673922053.db2.gz RYCLOGGOCZMMPF-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1C ZINC000566479975 675217716 /nfs/dbraw/zinc/21/77/16/675217716.db2.gz FEGMUAXFBVNOOB-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO CN(CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000818966584 675247626 /nfs/dbraw/zinc/24/76/26/675247626.db2.gz LLOHHSSPQWMRDF-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2cccc(F)c2)c1 ZINC000566909817 675252157 /nfs/dbraw/zinc/25/21/57/675252157.db2.gz PTQKVACDLLXLJH-HNNXBMFYSA-N 1 0 350.346 2.142 20 5 FEBDRO COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819039201 675254629 /nfs/dbraw/zinc/25/46/29/675254629.db2.gz PTKLDOCKEPOLCM-QGZVFWFLSA-N 1 0 351.447 2.107 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224356 675271396 /nfs/dbraw/zinc/27/13/96/675271396.db2.gz CJXHBWVGAWEEJH-MBVDDHJVSA-N 1 0 351.403 2.299 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000822757432 675504848 /nfs/dbraw/zinc/50/48/48/675504848.db2.gz AKVOGWPPXQBSTP-UHFFFAOYSA-N 1 0 354.794 2.031 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](O)C[NH+]1CCCCC1 ZINC000823193209 675535439 /nfs/dbraw/zinc/53/54/39/675535439.db2.gz DYQHCJZQXLZZES-CYBMUJFWSA-N 1 0 369.849 2.144 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000827532474 675762883 /nfs/dbraw/zinc/76/28/83/675762883.db2.gz MJYNIGHZPRZZHL-ZDUSSCGKSA-N 1 0 352.391 2.436 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C[C@@]2(C)C1 ZINC000827599368 675767037 /nfs/dbraw/zinc/76/70/37/675767037.db2.gz XMDPEQIVSYPEGJ-HZPDHXFCSA-N 1 0 370.812 2.383 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000604511270 675805720 /nfs/dbraw/zinc/80/57/20/675805720.db2.gz OWVHPTKOHDJBRD-LBPRGKRZSA-N 1 0 363.443 2.472 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000619482525 676379901 /nfs/dbraw/zinc/37/99/01/676379901.db2.gz NBBIPZYNKHFEIS-BETUJISGSA-N 1 0 371.459 2.145 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000830447866 677040138 /nfs/dbraw/zinc/04/01/38/677040138.db2.gz GOTSDHWDYLRUEX-MEDUHNTESA-N 1 0 366.805 2.188 20 5 FEBDRO CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000838840835 680721875 /nfs/dbraw/zinc/72/18/75/680721875.db2.gz MZOCUXYFCDEQPG-CYBMUJFWSA-N 1 0 350.419 2.455 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1 ZINC000839165452 680742529 /nfs/dbraw/zinc/74/25/29/680742529.db2.gz OIZSULHCNJPRPI-UHFFFAOYSA-N 1 0 369.849 2.219 20 5 FEBDRO Cc1ccc(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cc1[N+](=O)[O-] ZINC000839177075 680743017 /nfs/dbraw/zinc/74/30/17/680743017.db2.gz UKFMPUPJVOHDKL-MRXNPFEDSA-N 1 0 350.415 2.409 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839554664 680761130 /nfs/dbraw/zinc/76/11/30/680761130.db2.gz BPIVEZAGSSEJPM-MNOVXSKESA-N 1 0 356.220 2.491 20 5 FEBDRO CCO[C@@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831772262 680041053 /nfs/dbraw/zinc/04/10/53/680041053.db2.gz YTNNCWJQALKQFA-OCCSQVGLSA-N 1 0 355.460 2.158 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749911977 680085977 /nfs/dbraw/zinc/08/59/77/680085977.db2.gz RESVAXUXSVYCBG-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000832742581 680171523 /nfs/dbraw/zinc/17/15/23/680171523.db2.gz KPOPMZVSDFXYOQ-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063953 680193524 /nfs/dbraw/zinc/19/35/24/680193524.db2.gz QNLGHQXWOXSMIX-GFQSEFKGSA-N 1 0 357.332 2.107 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000752246573 680231715 /nfs/dbraw/zinc/23/17/15/680231715.db2.gz GVRBDSIDRCDMHA-LBPRGKRZSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1Cl ZINC000834569781 680243317 /nfs/dbraw/zinc/24/33/17/680243317.db2.gz VKXJYDYCAMCFAW-MRXNPFEDSA-N 1 0 355.822 2.085 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000834648466 680253152 /nfs/dbraw/zinc/25/31/52/680253152.db2.gz VFHFSBGXIJRNRX-YPMHNXCESA-N 1 0 350.375 2.319 20 5 FEBDRO O=C(NCc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034817037 680440199 /nfs/dbraw/zinc/44/01/99/680440199.db2.gz YKMPYRQVOQTANA-HUUCEWRRSA-N 1 0 353.369 2.103 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600795 680487891 /nfs/dbraw/zinc/48/78/91/680487891.db2.gz ZQLKVQMQJXLANF-LLVKDONJSA-N 1 0 356.810 2.217 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942234 680506184 /nfs/dbraw/zinc/50/61/84/680506184.db2.gz BNMBGBJUHCZHTK-CQSZACIVSA-N 1 0 370.837 2.158 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001005376382 680573437 /nfs/dbraw/zinc/57/34/37/680573437.db2.gz UUCVVANJSWTRAK-HZPDHXFCSA-N 1 0 351.834 2.428 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160300 680866626 /nfs/dbraw/zinc/86/66/26/680866626.db2.gz BZPKFFXJFXLXFA-SECBINFHSA-N 1 0 357.208 2.431 20 5 FEBDRO CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842722422 680962153 /nfs/dbraw/zinc/96/21/53/680962153.db2.gz GNVLSGRMYMJQDG-INIZCTEOSA-N 1 0 366.443 2.185 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842895305 680974042 /nfs/dbraw/zinc/97/40/42/680974042.db2.gz MPPOZXFSZNSGEJ-LLVKDONJSA-N 1 0 361.851 2.367 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456865 681004782 /nfs/dbraw/zinc/00/47/82/681004782.db2.gz XMHRDNUVSQNLLN-UHFFFAOYSA-N 1 0 361.427 2.447 20 5 FEBDRO CC1([NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000843468307 681005157 /nfs/dbraw/zinc/00/51/57/681005157.db2.gz QWLWHQXDNZPNCM-UHFFFAOYSA-N 1 0 360.183 2.450 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000772156644 681088078 /nfs/dbraw/zinc/08/80/78/681088078.db2.gz SDYDITLJCUWUES-CHWSQXEVSA-N 1 0 353.806 2.150 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000845155807 681107593 /nfs/dbraw/zinc/10/75/93/681107593.db2.gz SMRMSCISVARMSI-TXEJJXNPSA-N 1 0 350.371 2.297 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)C1CC1 ZINC000773063168 681123627 /nfs/dbraw/zinc/12/36/27/681123627.db2.gz ARLXUVDEJLYLNG-MRXNPFEDSA-N 1 0 352.456 2.330 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000775812948 681338451 /nfs/dbraw/zinc/33/84/51/681338451.db2.gz GVWBGYXVKUKUOO-IVMMDQJWSA-N 1 0 351.403 2.085 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1 ZINC000933056105 681355581 /nfs/dbraw/zinc/35/55/81/681355581.db2.gz OFOGUIGAJGQRKT-MRXNPFEDSA-N 1 0 350.415 2.370 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433189 681410887 /nfs/dbraw/zinc/41/08/87/681410887.db2.gz CHBPMYMSGBWAMX-KWQFWETISA-N 1 0 358.801 2.382 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC/C=C/Cl)c2)CC1 ZINC000934035646 681498993 /nfs/dbraw/zinc/49/89/93/681498993.db2.gz APIXRWIWQKTOQK-GORDUTHDSA-N 1 0 353.810 2.221 20 5 FEBDRO CSC[C@@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042974 681500071 /nfs/dbraw/zinc/50/00/71/681500071.db2.gz ZTICILRGTUSWTA-GFCCVEGCSA-N 1 0 367.475 2.220 20 5 FEBDRO O=C1O[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000848577155 681581094 /nfs/dbraw/zinc/58/10/94/681581094.db2.gz APYRPQWZFQWYFC-LBPRGKRZSA-N 1 0 357.313 2.269 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848582828 681582618 /nfs/dbraw/zinc/58/26/18/681582618.db2.gz PXIUNJGRZPSPGZ-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912914628 685466599 /nfs/dbraw/zinc/46/65/99/685466599.db2.gz BWYJRFVKTXDASE-JTQLQIEISA-N 1 0 372.194 2.417 20 5 FEBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913427181 685477083 /nfs/dbraw/zinc/47/70/83/685477083.db2.gz DHNATVQBNNHXIV-ZDUSSCGKSA-N 1 0 369.849 2.142 20 5 FEBDRO CC[N@@H+](Cc1csc(C)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713050 681918567 /nfs/dbraw/zinc/91/85/67/681918567.db2.gz JCMBNOMMDIQMIG-HZPDHXFCSA-N 1 0 366.487 2.177 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1F ZINC000850731098 681950105 /nfs/dbraw/zinc/95/01/05/681950105.db2.gz YWZKCPAFVUWLHY-NXEZZACHSA-N 1 0 361.171 2.260 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781595752 681951417 /nfs/dbraw/zinc/95/14/17/681951417.db2.gz RWDCFHNNFPQLND-GFCCVEGCSA-N 1 0 352.391 2.282 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000918194036 685537903 /nfs/dbraw/zinc/53/79/03/685537903.db2.gz QJUFPXYBGNCKRG-RYUDHWBXSA-N 1 0 359.423 2.275 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852853098 682350256 /nfs/dbraw/zinc/35/02/56/682350256.db2.gz ROXMYIXFUKEGCE-GFCCVEGCSA-N 1 0 351.712 2.406 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+](CC)C(C)C ZINC000853253676 682399436 /nfs/dbraw/zinc/39/94/36/682399436.db2.gz QOYQXSQQCHTZEZ-UHFFFAOYSA-N 1 0 372.491 2.425 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000854183678 682522215 /nfs/dbraw/zinc/52/22/15/682522215.db2.gz AQOOQIQIXGUADF-CYBMUJFWSA-N 1 0 368.821 2.311 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000854643864 682574494 /nfs/dbraw/zinc/57/44/94/682574494.db2.gz ZJDMWAVLHSNAOO-ZBFHGGJFSA-N 1 0 367.833 2.492 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855897752 682723414 /nfs/dbraw/zinc/72/34/14/682723414.db2.gz GHULBUOTXJWLQQ-GFCCVEGCSA-N 1 0 350.375 2.353 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000791794381 682766492 /nfs/dbraw/zinc/76/64/92/682766492.db2.gz LTKSRWHUMKOZLS-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO COc1cc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000795214716 683029607 /nfs/dbraw/zinc/02/96/07/683029607.db2.gz MRICVNCWNJBZLV-UHFFFAOYSA-N 1 0 366.395 2.433 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859364740 683094424 /nfs/dbraw/zinc/09/44/24/683094424.db2.gz PYFUYBTYIXPYIK-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000796294763 683150708 /nfs/dbraw/zinc/15/07/08/683150708.db2.gz NIHSFPFTQVITFT-AWEZNQCLSA-N 1 0 362.304 2.401 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000919653746 683289815 /nfs/dbraw/zinc/28/98/15/683289815.db2.gz BIOQHDYTJHJIJS-ZDUSSCGKSA-N 1 0 350.419 2.277 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000920597780 683354457 /nfs/dbraw/zinc/35/44/57/683354457.db2.gz AMVDPTMFDAKZAM-GOEBONIOSA-N 1 0 364.471 2.016 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000861038098 683335956 /nfs/dbraw/zinc/33/59/56/683335956.db2.gz XBJDJSZZYSSVDP-NSHDSACASA-N 1 0 356.350 2.010 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075503 683369695 /nfs/dbraw/zinc/36/96/95/683369695.db2.gz DFHYSMVIJBISSX-YVSFHVDLSA-N 1 0 361.467 2.394 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339750 683391291 /nfs/dbraw/zinc/39/12/91/683391291.db2.gz BYMCWVNKKMKPIP-XJKSGUPXSA-N 1 0 354.428 2.339 20 5 FEBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342955 683391926 /nfs/dbraw/zinc/39/19/26/683391926.db2.gz FQCPLQKAGJZDHP-CXAGYDPISA-N 1 0 351.403 2.049 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000921129509 683399446 /nfs/dbraw/zinc/39/94/46/683399446.db2.gz ZGNHZKNJBNMZEU-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000861934648 683502952 /nfs/dbraw/zinc/50/29/52/683502952.db2.gz TVAVAMTUPHFEEU-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922597082 683751533 /nfs/dbraw/zinc/75/15/33/683751533.db2.gz JFAVHDHCEQRZAJ-UHFFFAOYSA-N 1 0 350.415 2.405 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930684688 683771072 /nfs/dbraw/zinc/77/10/72/683771072.db2.gz QDBGELFJGCQIOY-CABCVRRESA-N 1 0 357.451 2.047 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000866374633 684095759 /nfs/dbraw/zinc/09/57/59/684095759.db2.gz MFBLMFLQBJMWSV-GFCCVEGCSA-N 1 0 358.435 2.469 20 5 FEBDRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717814 684138969 /nfs/dbraw/zinc/13/89/69/684138969.db2.gz PTVQRINVRSSAMR-WBMJQRKESA-N 1 0 350.394 2.136 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000866972197 684189533 /nfs/dbraw/zinc/18/95/33/684189533.db2.gz NQKLZRBUKMBBBK-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000867348897 684254371 /nfs/dbraw/zinc/25/43/71/684254371.db2.gz JEPSQDSQVPACCK-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925763243 684583654 /nfs/dbraw/zinc/58/36/54/684583654.db2.gz RDNDAVUQAMZWTF-GJZGRUSLSA-N 1 0 370.247 2.214 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000869766335 684653051 /nfs/dbraw/zinc/65/30/51/684653051.db2.gz RPXDYOYOASJKIT-UHFFFAOYSA-N 1 0 353.394 2.164 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000872023627 684915892 /nfs/dbraw/zinc/91/58/92/684915892.db2.gz UFJFVDQQTKAXAD-NSHDSACASA-N 1 0 361.489 2.249 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000873100740 685070969 /nfs/dbraw/zinc/07/09/69/685070969.db2.gz CSPSIEPKZFQABO-WMLDXEAASA-N 1 0 368.455 2.038 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccnc3OCC(F)F)C2)c1 ZINC000877124618 686329079 /nfs/dbraw/zinc/32/90/79/686329079.db2.gz YHOWYOBVYSBSDH-UHFFFAOYSA-N 1 0 353.329 2.324 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877358122 686362227 /nfs/dbraw/zinc/36/22/27/686362227.db2.gz BCQTUJNUMXADQD-YUMQZZPRSA-N 1 0 351.712 2.457 20 5 FEBDRO C[C@@](CO)([NH2+]CC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000877690025 686437265 /nfs/dbraw/zinc/43/72/65/686437265.db2.gz DAKRWHRXSYTYDW-KRWDZBQOSA-N 1 0 350.415 2.325 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC000880073325 686993771 /nfs/dbraw/zinc/99/37/71/686993771.db2.gz ZXPCAXUOFUJHFS-UONOGXRCSA-N 1 0 359.348 2.255 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134444 687004009 /nfs/dbraw/zinc/00/40/09/687004009.db2.gz MVJXRFHZWZTOOH-LSDHHAIUSA-N 1 0 352.822 2.355 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881472988 687136731 /nfs/dbraw/zinc/13/67/31/687136731.db2.gz XEZBSKGFPRSZTE-OAHLLOKOSA-N 1 0 351.378 2.107 20 5 FEBDRO C[N@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000881865089 687238508 /nfs/dbraw/zinc/23/85/08/687238508.db2.gz LLYODCAOIITEDB-UHFFFAOYSA-N 1 0 356.220 2.458 20 5 FEBDRO O=[N+]([O-])c1c(F)nccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000882167953 687316973 /nfs/dbraw/zinc/31/69/73/687316973.db2.gz CYDQOCQTDUGFEV-UHFFFAOYSA-N 1 0 352.410 2.458 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc([N+](=O)[O-])c1F ZINC000882346110 687350910 /nfs/dbraw/zinc/35/09/10/687350910.db2.gz OEWVHKPHIOUVRU-UHFFFAOYSA-N 1 0 371.434 2.149 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000882345209 687350928 /nfs/dbraw/zinc/35/09/28/687350928.db2.gz GMUWILAPMUQQAK-UHFFFAOYSA-N 1 0 373.862 2.355 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000883300418 687603253 /nfs/dbraw/zinc/60/32/53/687603253.db2.gz WQCOTWKUXVQTCK-GFCCVEGCSA-N 1 0 364.370 2.253 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884949577 687971595 /nfs/dbraw/zinc/97/15/95/687971595.db2.gz GTLNJZVOMGSCPG-KGLIPLIRSA-N 1 0 353.444 2.062 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000891758212 689102646 /nfs/dbraw/zinc/10/26/46/689102646.db2.gz OUNXMJGTJCJRHK-BLLLJJGKSA-N 1 0 352.822 2.042 20 5 FEBDRO COc1c(O)ccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000893659409 689382435 /nfs/dbraw/zinc/38/24/35/689382435.db2.gz ABOJQZAIFILYEA-UHFFFAOYSA-N 1 0 354.428 2.407 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2COCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000894874563 689612252 /nfs/dbraw/zinc/61/22/52/689612252.db2.gz ZPODWQVQTCAXHF-JTQLQIEISA-N 1 0 366.292 2.007 20 5 FEBDRO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895250052 689684500 /nfs/dbraw/zinc/68/45/00/689684500.db2.gz ZWBVSHQCFMSFQU-BDJLRTHQSA-N 1 0 363.849 2.265 20 5 FEBDRO CN1C[C@@H](CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000896306525 689852882 /nfs/dbraw/zinc/85/28/82/689852882.db2.gz TVFMRGUCAKETDM-QMMMGPOBSA-N 1 0 362.249 2.377 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000897459835 690026543 /nfs/dbraw/zinc/02/65/43/690026543.db2.gz ONYSSTXDVZOKET-ZIAGYGMSSA-N 1 0 369.487 2.348 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@]12CC[N@H+](C1)CCC2 ZINC000899213529 690320397 /nfs/dbraw/zinc/32/03/97/690320397.db2.gz GARPZJNPSFGMSB-HNNXBMFYSA-N 1 0 368.231 2.459 20 5 FEBDRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000900473428 690521192 /nfs/dbraw/zinc/52/11/92/690521192.db2.gz SLDNETWQCZLGDT-UHFFFAOYSA-N 1 0 369.853 2.445 20 5 FEBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)cc([N+](=O)[O-])c1 ZINC000903117703 690846742 /nfs/dbraw/zinc/84/67/42/690846742.db2.gz FMMXGAGIQBYRJV-RNCFNFMXSA-N 1 0 361.320 2.417 20 5 FEBDRO COc1ccc(OCCN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000903538264 690916677 /nfs/dbraw/zinc/91/66/77/690916677.db2.gz AMIWEKFLTOAKAC-NWDGAFQWSA-N 1 0 363.336 2.194 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903593571 690935242 /nfs/dbraw/zinc/93/52/42/690935242.db2.gz PIUBWBIOHDFISS-CQSZACIVSA-N 1 0 359.835 2.073 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)c1 ZINC000905473020 691123023 /nfs/dbraw/zinc/12/30/23/691123023.db2.gz ITLJWJCDYVHMGE-LBPRGKRZSA-N 1 0 359.213 2.291 20 5 FEBDRO O=C(CC[NH2+]CCOC1CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000905703306 691165177 /nfs/dbraw/zinc/16/51/77/691165177.db2.gz IBMUZFLVUVEBBW-UHFFFAOYSA-N 1 0 353.444 2.425 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852758 691183247 /nfs/dbraw/zinc/18/32/47/691183247.db2.gz NDMHQESPGRXWPN-MAZHCROVSA-N 1 0 364.471 2.091 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063911 691384590 /nfs/dbraw/zinc/38/45/90/691384590.db2.gz DRHBWOYJGXTVNI-GWCFXTLKSA-N 1 0 352.822 2.387 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902112 721520442 /nfs/dbraw/zinc/52/04/42/721520442.db2.gz ZGLLPAZGMFXANQ-HOCLYGCPSA-N 1 0 358.373 2.471 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932684 721860936 /nfs/dbraw/zinc/86/09/36/721860936.db2.gz ZLEPRCGLUVIEIM-HZPDHXFCSA-N 1 0 355.442 2.358 20 5 FEBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926902 721871754 /nfs/dbraw/zinc/87/17/54/721871754.db2.gz SPIFUNOOEJXMIV-SJORKVTESA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164966616 722074585 /nfs/dbraw/zinc/07/45/85/722074585.db2.gz DPCIRHSUMCESSL-CALCHBBNSA-N 1 0 354.410 2.442 20 5 FEBDRO COc1cccc([C@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000028840971 539838270 /nfs/dbraw/zinc/83/82/70/539838270.db2.gz LQESNSAAUKABBZ-SFHVURJKSA-N 1 0 373.409 2.401 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000029630408 539859154 /nfs/dbraw/zinc/85/91/54/539859154.db2.gz VFSOPCIIMBRDLP-IBGZPJMESA-N 1 0 371.437 2.152 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000032417212 539938471 /nfs/dbraw/zinc/93/84/71/539938471.db2.gz MCDHNMKDXVBWQQ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032440945 539939414 /nfs/dbraw/zinc/93/94/14/539939414.db2.gz YFXKMVVJWSVZLN-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041664470 540029517 /nfs/dbraw/zinc/02/95/17/540029517.db2.gz VZWNXKVUVGHMPP-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041786028 540033196 /nfs/dbraw/zinc/03/31/96/540033196.db2.gz LHTFUIHZXHGDIE-AWEZNQCLSA-N 1 0 362.430 2.304 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCCC[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000041927991 540040392 /nfs/dbraw/zinc/04/03/92/540040392.db2.gz RBSHBPFXWOUTRB-UHFFFAOYSA-N 1 0 351.403 2.232 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000043893430 540114696 /nfs/dbraw/zinc/11/46/96/540114696.db2.gz PNIVWPGEZWNRKA-CABCVRRESA-N 1 0 363.462 2.426 20 5 FEBDRO C[NH+]1CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000047773513 540328605 /nfs/dbraw/zinc/32/86/05/540328605.db2.gz KCEFPEYUAIZUDA-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305698 540461984 /nfs/dbraw/zinc/46/19/84/540461984.db2.gz QZHIOIPQTUMFNI-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699326 540550369 /nfs/dbraw/zinc/55/03/69/540550369.db2.gz NJUUIDWNOUPJBB-ZDUSSCGKSA-N 1 0 355.460 2.384 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000055279182 540642681 /nfs/dbraw/zinc/64/26/81/540642681.db2.gz SEQQRDXFFXOWHE-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO CNC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000061556436 541132910 /nfs/dbraw/zinc/13/29/10/541132910.db2.gz XSKLWYZZCMAXPF-UHFFFAOYSA-N 1 0 365.393 2.283 20 5 FEBDRO Cc1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000061648004 541137117 /nfs/dbraw/zinc/13/71/17/541137117.db2.gz UPOVRPKPESGYAI-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cccc(Cl)c2)c1 ZINC000065978402 541275812 /nfs/dbraw/zinc/27/58/12/541275812.db2.gz AHTISJXMKCSSOF-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066105952 541282837 /nfs/dbraw/zinc/28/28/37/541282837.db2.gz PZSMLQZLPHSXDL-LBPRGKRZSA-N 1 0 359.835 2.107 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCC(C)CC1 ZINC000066633865 541350872 /nfs/dbraw/zinc/35/08/72/541350872.db2.gz GJSTZPOMYJCVGX-CYBMUJFWSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@@H]1CCC[C@@](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000068110639 541551041 /nfs/dbraw/zinc/55/10/41/541551041.db2.gz CINIBZYDJPKWMM-CXAGYDPISA-N 1 0 351.451 2.153 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000068185670 541559164 /nfs/dbraw/zinc/55/91/64/541559164.db2.gz BSADXAXIYROSST-AWEZNQCLSA-N 1 0 357.414 2.275 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000068200544 541561819 /nfs/dbraw/zinc/56/18/19/541561819.db2.gz WDLVVVVGZNOPQZ-INIZCTEOSA-N 1 0 356.426 2.296 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068129480 541552801 /nfs/dbraw/zinc/55/28/01/541552801.db2.gz LJYIXHHNBFERHQ-HUUCEWRRSA-N 1 0 351.451 2.056 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000068311753 541575309 /nfs/dbraw/zinc/57/53/09/541575309.db2.gz FTNJHHCWPMERLM-UHFFFAOYSA-N 1 0 373.457 2.470 20 5 FEBDRO COc1cc(OCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068882475 541636379 /nfs/dbraw/zinc/63/63/79/541636379.db2.gz WWCBLXYEEOCTCZ-UONOGXRCSA-N 1 0 365.430 2.219 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069124902 541660285 /nfs/dbraw/zinc/66/02/85/541660285.db2.gz MACCWSUAMRBDFD-HNNXBMFYSA-N 1 0 353.444 2.234 20 5 FEBDRO CC(C)[NH+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000069149357 541663143 /nfs/dbraw/zinc/66/31/43/541663143.db2.gz DLLWHKHGIXPHLT-UHFFFAOYSA-N 1 0 352.435 2.392 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000072716348 541856134 /nfs/dbraw/zinc/85/61/34/541856134.db2.gz KXAGQSDUKBKMKF-ZDUSSCGKSA-N 1 0 371.434 2.086 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000075109285 542153236 /nfs/dbraw/zinc/15/32/36/542153236.db2.gz PMVJUUIYZJRVLL-UHFFFAOYSA-N 1 0 355.398 2.064 20 5 FEBDRO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075750887 542203002 /nfs/dbraw/zinc/20/30/02/542203002.db2.gz VUKUAHHSVFQTHP-UNEWFSDZSA-N 1 0 360.414 2.039 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000076334187 542262433 /nfs/dbraw/zinc/26/24/33/542262433.db2.gz YDLRPXLISBBGDA-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403915 542275106 /nfs/dbraw/zinc/27/51/06/542275106.db2.gz MGTZWUPXPFPDLP-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000076836007 542325565 /nfs/dbraw/zinc/32/55/65/542325565.db2.gz AQONOTVVUWSGBK-CYBMUJFWSA-N 1 0 353.444 2.063 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000076925522 542330705 /nfs/dbraw/zinc/33/07/05/542330705.db2.gz DFRWOUGAMASLBZ-GOSISDBHSA-N 1 0 360.458 2.268 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000077315507 542365441 /nfs/dbraw/zinc/36/54/41/542365441.db2.gz SKTZFKHGBMLMBA-MRXNPFEDSA-N 1 0 374.441 2.453 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078427968 542461257 /nfs/dbraw/zinc/46/12/57/542461257.db2.gz QYPOXTKLZRPNCD-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079893466 542548919 /nfs/dbraw/zinc/54/89/19/542548919.db2.gz NKPPRURRHQURAW-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089682051 542768742 /nfs/dbraw/zinc/76/87/42/542768742.db2.gz UABNMCQRFCLOLC-MSOLQXFVSA-N 1 0 370.409 2.352 20 5 FEBDRO Cn1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092588316 542873603 /nfs/dbraw/zinc/87/36/03/542873603.db2.gz PRBKNCVDAJCDLG-INIZCTEOSA-N 1 0 357.414 2.225 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003454 542901857 /nfs/dbraw/zinc/90/18/57/542901857.db2.gz CGGZJQCLDDYEEF-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000093818093 542942677 /nfs/dbraw/zinc/94/26/77/542942677.db2.gz UKRRLNIJZGYPKS-CYBMUJFWSA-N 1 0 371.384 2.350 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000551888126 674168842 /nfs/dbraw/zinc/16/88/42/674168842.db2.gz MGTYHRYGARXBBA-GOEBONIOSA-N 1 0 365.455 2.289 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106521584 543233078 /nfs/dbraw/zinc/23/30/78/543233078.db2.gz VEOUNGJLJCEEEV-CQSZACIVSA-N 1 0 361.446 2.323 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000106891623 543253158 /nfs/dbraw/zinc/25/31/58/543253158.db2.gz OVNGKHHEWZZPKE-LLVKDONJSA-N 1 0 357.407 2.029 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108342761 543286719 /nfs/dbraw/zinc/28/67/19/543286719.db2.gz WCYKMBLSNDVEIP-AWEZNQCLSA-N 1 0 367.471 2.295 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079349 543429795 /nfs/dbraw/zinc/42/97/95/543429795.db2.gz CFKFZJNRLMNHSS-QGZVFWFLSA-N 1 0 371.441 2.498 20 5 FEBDRO CCOc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000113230546 543478436 /nfs/dbraw/zinc/47/84/36/543478436.db2.gz JPKKHZYVPFQLBW-QWHCGFSZSA-N 1 0 363.414 2.311 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000114381151 543512471 /nfs/dbraw/zinc/51/24/71/543512471.db2.gz HNRYXCDOOHIFKD-UHFFFAOYSA-N 1 0 373.457 2.080 20 5 FEBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCOCC1 ZINC000114464200 543518780 /nfs/dbraw/zinc/51/87/80/543518780.db2.gz WIMSSLBHBWLYSN-UHFFFAOYSA-N 1 0 360.414 2.056 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000115114755 543551807 /nfs/dbraw/zinc/55/18/07/543551807.db2.gz QYHBNGCGUKVNTI-UHFFFAOYSA-N 1 0 363.443 2.093 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116064206 543597118 /nfs/dbraw/zinc/59/71/18/543597118.db2.gz YOKIRNPAVHOPRI-CQSZACIVSA-N 1 0 371.441 2.442 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118113717 543645430 /nfs/dbraw/zinc/64/54/30/543645430.db2.gz OQBWTMBRQRSMCG-INIZCTEOSA-N 1 0 362.430 2.304 20 5 FEBDRO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119428942 543666993 /nfs/dbraw/zinc/66/69/93/543666993.db2.gz XOOAAKRTAOADQD-CZUORRHYSA-N 1 0 361.446 2.002 20 5 FEBDRO Cn1cc(C[N@H+](C)[C@@H]2CCCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123825939 543785720 /nfs/dbraw/zinc/78/57/20/543785720.db2.gz CRMTVMMCCIFEFW-MRXNPFEDSA-N 1 0 357.414 2.096 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123304735 543753869 /nfs/dbraw/zinc/75/38/69/543753869.db2.gz IIGJVESXOPEDBE-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Br)c1 ZINC000125698885 543896859 /nfs/dbraw/zinc/89/68/59/543896859.db2.gz AWDJKYKENQAAOV-CQSZACIVSA-N 1 0 369.219 2.219 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000127980686 544025248 /nfs/dbraw/zinc/02/52/48/544025248.db2.gz JFHXDEHLOIRDOW-ZDUSSCGKSA-N 1 0 372.381 2.137 20 5 FEBDRO COc1cc(OC)cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000132512739 544233899 /nfs/dbraw/zinc/23/38/99/544233899.db2.gz RERRAQKNJMRTNI-AWEZNQCLSA-N 1 0 373.409 2.263 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000134678472 544317797 /nfs/dbraw/zinc/31/77/97/544317797.db2.gz NQPAUKNCNCFVEL-OAHLLOKOSA-N 1 0 372.469 2.433 20 5 FEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000134275496 544301118 /nfs/dbraw/zinc/30/11/18/544301118.db2.gz LGUYLDXBWSSPDO-UHFFFAOYSA-N 1 0 359.361 2.133 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000134913969 544326960 /nfs/dbraw/zinc/32/69/60/544326960.db2.gz GZQVPKQFSQVAIT-ZBFHGGJFSA-N 1 0 371.441 2.306 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000136874759 544380595 /nfs/dbraw/zinc/38/05/95/544380595.db2.gz PVCHHOSZZPTTJQ-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1CCCC1 ZINC000136944975 544381531 /nfs/dbraw/zinc/38/15/31/544381531.db2.gz JKQUEMWQXJTGLO-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1(O)CCCC1 ZINC000152268762 544631444 /nfs/dbraw/zinc/63/14/44/544631444.db2.gz DHMKWJVVRQLHBI-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000152892205 544707784 /nfs/dbraw/zinc/70/77/84/544707784.db2.gz WRGSEPJRQGGIQE-DGCLKSJQSA-N 1 0 373.862 2.353 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153582874 544793889 /nfs/dbraw/zinc/79/38/89/544793889.db2.gz OTBLJUTUYUAYPJ-CQSZACIVSA-N 1 0 367.471 2.389 20 5 FEBDRO Cc1nn(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000154534825 544918391 /nfs/dbraw/zinc/91/83/91/544918391.db2.gz UKYIYWBRLUDFPP-UHFFFAOYSA-N 1 0 363.462 2.275 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000154694860 544937580 /nfs/dbraw/zinc/93/75/80/544937580.db2.gz WEDGPBWCULNXSF-CJNGLKHVSA-N 1 0 355.460 2.087 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000553558022 674270745 /nfs/dbraw/zinc/27/07/45/674270745.db2.gz QJHWJKMJFWHWRV-PWSUYJOCSA-N 1 0 359.473 2.212 20 5 FEBDRO C[C@](CO)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181904928 327751917 /nfs/dbraw/zinc/75/19/17/327751917.db2.gz QDVQLWLZOJAOPB-CRAIPNDOSA-N 1 0 352.431 2.255 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)C ZINC000181974451 327755090 /nfs/dbraw/zinc/75/50/90/327755090.db2.gz HDQROTWBHWPRJD-AWEZNQCLSA-N 1 0 351.403 2.420 20 5 FEBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC([NH+]2CCCC2)CC1 ZINC000183007128 327797486 /nfs/dbraw/zinc/79/74/86/327797486.db2.gz AOZBFUIQYVCOHZ-SFHVURJKSA-N 1 0 372.425 2.175 20 5 FEBDRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000183116904 327802354 /nfs/dbraw/zinc/80/23/54/327802354.db2.gz ZQDDRYALPIZQPX-CYBMUJFWSA-N 1 0 358.398 2.421 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184581507 327873949 /nfs/dbraw/zinc/87/39/49/327873949.db2.gz HKFAXGWVOSJVOC-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000188217333 328074110 /nfs/dbraw/zinc/07/41/10/328074110.db2.gz LFCNGKBXKJHWAC-LLVKDONJSA-N 1 0 359.423 2.195 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189150774 328131356 /nfs/dbraw/zinc/13/13/56/328131356.db2.gz KDGZULDMNVQOPX-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189190766 328134162 /nfs/dbraw/zinc/13/41/62/328134162.db2.gz MZGVFOWIHGLWOP-FUHWJXTLSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000190031819 328183706 /nfs/dbraw/zinc/18/37/06/328183706.db2.gz IGFPTTCVZNUTSG-CYBMUJFWSA-N 1 0 350.419 2.212 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190158421 328191635 /nfs/dbraw/zinc/19/16/35/328191635.db2.gz YCRKUKODJYWYPP-UHFFFAOYSA-N 1 0 364.446 2.340 20 5 FEBDRO COC(=O)[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000192386856 328317238 /nfs/dbraw/zinc/31/72/38/328317238.db2.gz IXWKMOODCBGNGL-LLVKDONJSA-N 1 0 367.377 2.479 20 5 FEBDRO CC1CC[NH+](C2CCC(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000193749403 328392950 /nfs/dbraw/zinc/39/29/50/328392950.db2.gz ANLOTXOMJQKZPS-UHFFFAOYSA-N 1 0 362.430 2.468 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000193772370 328394331 /nfs/dbraw/zinc/39/43/31/328394331.db2.gz XEAULKFTNPWRTG-CYBMUJFWSA-N 1 0 364.402 2.188 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237373136 328514249 /nfs/dbraw/zinc/51/42/49/328514249.db2.gz YUQXCYOGBOQTAU-TZMCWYRMSA-N 1 0 355.398 2.336 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000077708020 325006548 /nfs/dbraw/zinc/00/65/48/325006548.db2.gz WVPDIRSDHOHIQJ-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO COC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237260626 328510274 /nfs/dbraw/zinc/51/02/74/328510274.db2.gz HTKDDZDAFYKINK-UHFFFAOYSA-N 1 0 373.413 2.316 20 5 FEBDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])o1 ZINC000080922833 325147603 /nfs/dbraw/zinc/14/76/03/325147603.db2.gz IMDCTYDADYRUNX-UHFFFAOYSA-N 1 0 359.382 2.075 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000081363119 325171911 /nfs/dbraw/zinc/17/19/11/325171911.db2.gz LHKFPXGPGDKKMA-LBPRGKRZSA-N 1 0 350.375 2.307 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[C@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237636535 328523126 /nfs/dbraw/zinc/52/31/26/328523126.db2.gz SZICEXUYPSHYMQ-INIZCTEOSA-N 1 0 357.414 2.020 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000083028692 325211220 /nfs/dbraw/zinc/21/12/20/325211220.db2.gz TYMGRJAVNBZEHR-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237663109 328523936 /nfs/dbraw/zinc/52/39/36/328523936.db2.gz MIXGLAHACWPVQJ-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088793869 325302675 /nfs/dbraw/zinc/30/26/75/325302675.db2.gz VPKYEDIBZLYKCI-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090515944 325361788 /nfs/dbraw/zinc/36/17/88/325361788.db2.gz GZQIVJQQRVCIGS-AWEZNQCLSA-N 1 0 368.397 2.030 20 5 FEBDRO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551502 325362937 /nfs/dbraw/zinc/36/29/37/325362937.db2.gz QMWWXTLJJBJKNE-YMXBGEKHSA-N 1 0 363.439 2.187 20 5 FEBDRO O=C(CC[NH+]1CCN(Cc2cccnc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091077381 325372565 /nfs/dbraw/zinc/37/25/65/325372565.db2.gz PYBZRHLIWJTGFO-UHFFFAOYSA-N 1 0 369.425 2.136 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000091689204 325390014 /nfs/dbraw/zinc/39/00/14/325390014.db2.gz BCPAWCWQRBGIMF-VQFGERMISA-N 1 0 372.469 2.237 20 5 FEBDRO CCCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000110713895 325691547 /nfs/dbraw/zinc/69/15/47/325691547.db2.gz JKTHNLHXLDESDP-UHFFFAOYSA-N 1 0 366.466 2.124 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111563417 325724885 /nfs/dbraw/zinc/72/48/85/325724885.db2.gz BNYOKAIUMCXFFW-GFCCVEGCSA-N 1 0 358.398 2.041 20 5 FEBDRO Cc1ccc(C)c(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922444 326042654 /nfs/dbraw/zinc/04/26/54/326042654.db2.gz JYDVYZYODXXTEA-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000118099138 326081119 /nfs/dbraw/zinc/08/11/19/326081119.db2.gz UECLLRINUOGLRT-INIZCTEOSA-N 1 0 364.446 2.324 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000119705823 326189684 /nfs/dbraw/zinc/18/96/84/326189684.db2.gz CHKFJUNBZOJWPC-CJNGLKHVSA-N 1 0 362.430 2.030 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)n1 ZINC000120295368 326247213 /nfs/dbraw/zinc/24/72/13/326247213.db2.gz JRGFOOKMXVDONN-AWEZNQCLSA-N 1 0 353.386 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1C ZINC000120349034 326251709 /nfs/dbraw/zinc/25/17/09/326251709.db2.gz GKGQYUAZSQXASY-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000121859151 326372166 /nfs/dbraw/zinc/37/21/66/326372166.db2.gz NWYUYFDKTINGLP-CYBMUJFWSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000152498529 326709078 /nfs/dbraw/zinc/70/90/78/326709078.db2.gz HTGVKDAZVSBQJI-CQSZACIVSA-N 1 0 364.446 2.062 20 5 FEBDRO Cn1cc(C[NH2+]CCCO[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153102555 326724057 /nfs/dbraw/zinc/72/40/57/326724057.db2.gz WJHRVPGFQZOTBQ-KRWDZBQOSA-N 1 0 360.414 2.281 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000157198099 326857826 /nfs/dbraw/zinc/85/78/26/326857826.db2.gz NLLBSNPYFCXNOR-UHFFFAOYSA-N 1 0 358.398 2.087 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000158365097 326893548 /nfs/dbraw/zinc/89/35/48/326893548.db2.gz CYZGPWXOPOJJOU-UHFFFAOYSA-N 1 0 369.468 2.341 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000163567458 327054241 /nfs/dbraw/zinc/05/42/41/327054241.db2.gz RUMGRZMJYQSVLX-MRXNPFEDSA-N 1 0 365.478 2.282 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000163612788 327055127 /nfs/dbraw/zinc/05/51/27/327055127.db2.gz GPWUFZHDHALEOS-ZBFHGGJFSA-N 1 0 369.487 2.129 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140335 327065194 /nfs/dbraw/zinc/06/51/94/327065194.db2.gz CFYAMMMPWUHJFW-IUODEOHRSA-N 1 0 362.386 2.368 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170736588 327096058 /nfs/dbraw/zinc/09/60/58/327096058.db2.gz UHPYPASXHUUGIU-NSHDSACASA-N 1 0 359.835 2.107 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000171412614 327138009 /nfs/dbraw/zinc/13/80/09/327138009.db2.gz PVZIUMRBQCGCRR-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000172182145 327185928 /nfs/dbraw/zinc/18/59/28/327185928.db2.gz IKFPEDRKHPCQFQ-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172348163 327197155 /nfs/dbraw/zinc/19/71/55/327197155.db2.gz KCHHMPCDVGGLHT-ZDUSSCGKSA-N 1 0 362.430 2.101 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000173051578 327232620 /nfs/dbraw/zinc/23/26/20/327232620.db2.gz WEWZGAFXTDIJKV-NSHDSACASA-N 1 0 351.403 2.088 20 5 FEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000173087900 327234489 /nfs/dbraw/zinc/23/44/89/327234489.db2.gz LFQWOPPMQSNSHL-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO CC[NH+](CC)CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173262932 327244841 /nfs/dbraw/zinc/24/48/41/327244841.db2.gz PUYZYOUIAPATLQ-UHFFFAOYSA-N 1 0 364.446 2.489 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000173282706 327246763 /nfs/dbraw/zinc/24/67/63/327246763.db2.gz LBCSGHNZXHADBY-LSDHHAIUSA-N 1 0 374.441 2.315 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295190 327248066 /nfs/dbraw/zinc/24/80/66/327248066.db2.gz UZTLRQJBCXIIKC-BBVFFXRHSA-N 1 0 372.469 2.237 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000173338824 327250691 /nfs/dbraw/zinc/25/06/91/327250691.db2.gz NTADKALFXNLEJH-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000173593042 327269245 /nfs/dbraw/zinc/26/92/45/327269245.db2.gz DLBNYJTYVBZROL-CQSZACIVSA-N 1 0 359.430 2.127 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173630524 327272230 /nfs/dbraw/zinc/27/22/30/327272230.db2.gz RUFGPMMVTRLJOD-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173829701 327287362 /nfs/dbraw/zinc/28/73/62/327287362.db2.gz LAOXYFNAQLSEKK-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1[N+](=O)[O-] ZINC000174202660 327312620 /nfs/dbraw/zinc/31/26/20/327312620.db2.gz GFDKXWVZONFZMH-QGZVFWFLSA-N 1 0 360.458 2.009 20 5 FEBDRO C[N@H+](CCCOc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743557 327347689 /nfs/dbraw/zinc/34/76/89/327347689.db2.gz QNEDJWOUIKJZDF-OAHLLOKOSA-N 1 0 368.821 2.207 20 5 FEBDRO C[C@](CO)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000174792516 327351540 /nfs/dbraw/zinc/35/15/40/327351540.db2.gz YYGZXLPMGCWHEW-LJQANCHMSA-N 1 0 361.442 2.405 20 5 FEBDRO COc1ccc(OCCN2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000174892651 327358749 /nfs/dbraw/zinc/35/87/49/327358749.db2.gz CFMNPEYOJAUORL-UHFFFAOYSA-N 1 0 367.446 2.025 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175084115 327372736 /nfs/dbraw/zinc/37/27/36/327372736.db2.gz YNDBPKNHJMZSEI-KGLIPLIRSA-N 1 0 355.460 2.308 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000175213142 327380441 /nfs/dbraw/zinc/38/04/41/327380441.db2.gz WCRWCIRJFWKLFR-SFHVURJKSA-N 1 0 362.474 2.205 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000177460033 327524133 /nfs/dbraw/zinc/52/41/33/327524133.db2.gz FURFSIRWRZCTAZ-NWDGAFQWSA-N 1 0 358.398 2.039 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000177702506 327539064 /nfs/dbraw/zinc/53/90/64/327539064.db2.gz AKGHJILDVWQNDC-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262384014 328862593 /nfs/dbraw/zinc/86/25/93/328862593.db2.gz NGPQDBGBZMEELN-HNAYVOBHSA-N 1 0 358.442 2.023 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264572726 329036994 /nfs/dbraw/zinc/03/69/94/329036994.db2.gz VSCIUEUIMQBMQO-OAHLLOKOSA-N 1 0 372.429 2.148 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000264909445 329073351 /nfs/dbraw/zinc/07/33/51/329073351.db2.gz DYFPXNFRQUPRMZ-ZFWWWQNUSA-N 1 0 362.430 2.101 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264937543 329076468 /nfs/dbraw/zinc/07/64/68/329076468.db2.gz UZSYPIYUENXRTN-UHFFFAOYSA-N 1 0 351.403 2.024 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)C[NH+]3CCCC3)cs2)c1 ZINC000264989307 329081115 /nfs/dbraw/zinc/08/11/15/329081115.db2.gz WWLOKFMPEIEXFI-INIZCTEOSA-N 1 0 362.455 2.265 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C2CCC2)CC1 ZINC000265113149 329092369 /nfs/dbraw/zinc/09/23/69/329092369.db2.gz IATDVGNYCVOZQL-ZDUSSCGKSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265518882 329135480 /nfs/dbraw/zinc/13/54/80/329135480.db2.gz LQGBIHIEBKVFDM-ZDUSSCGKSA-N 1 0 372.425 2.307 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265923181 329173050 /nfs/dbraw/zinc/17/30/50/329173050.db2.gz CMQWMXQCIAFSPE-CQSZACIVSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986803 329179410 /nfs/dbraw/zinc/17/94/10/329179410.db2.gz KVRHHJQCCWMCBM-AAEUAGOBSA-N 1 0 351.403 2.024 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266285562 329207826 /nfs/dbraw/zinc/20/78/26/329207826.db2.gz KPEGGJJRXYLBKA-LBPRGKRZSA-N 1 0 359.423 2.229 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323291 329211599 /nfs/dbraw/zinc/21/15/99/329211599.db2.gz HMPKYTXSZRKTLE-ZDUSSCGKSA-N 1 0 357.414 2.363 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324446 329314861 /nfs/dbraw/zinc/31/48/61/329314861.db2.gz ZMSTYQVEMWZKRS-QWHCGFSZSA-N 1 0 353.444 2.061 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC000269424755 329518486 /nfs/dbraw/zinc/51/84/86/329518486.db2.gz LUYXCUQYWHPNHT-MRXNPFEDSA-N 1 0 355.398 2.382 20 5 FEBDRO CSc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270970223 329650226 /nfs/dbraw/zinc/65/02/26/329650226.db2.gz BRHFYHUSYXHTCT-GXTWGEPZSA-N 1 0 355.485 2.434 20 5 FEBDRO COCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273308426 329854462 /nfs/dbraw/zinc/85/44/62/329854462.db2.gz TUXICYZIBCTGOZ-ZIAGYGMSSA-N 1 0 350.371 2.295 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC000273490021 329868986 /nfs/dbraw/zinc/86/89/86/329868986.db2.gz WOCQNTZHLNXKJC-ARFHVFGLSA-N 1 0 368.455 2.162 20 5 FEBDRO CS[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274706431 329972805 /nfs/dbraw/zinc/97/28/05/329972805.db2.gz WJCXWNQQEAIMQR-MNOVXSKESA-N 1 0 353.473 2.320 20 5 FEBDRO CS[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1[NH+](C)C ZINC000275662750 330075596 /nfs/dbraw/zinc/07/55/96/330075596.db2.gz WBOGKNWGEXTDQP-HUUCEWRRSA-N 1 0 370.450 2.040 20 5 FEBDRO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000275764683 330086472 /nfs/dbraw/zinc/08/64/72/330086472.db2.gz UCPFRRREKZIZBK-INIZCTEOSA-N 1 0 356.444 2.163 20 5 FEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276279721 330136549 /nfs/dbraw/zinc/13/65/49/330136549.db2.gz FEEBDVTYOVILLX-IEBWSBKVSA-N 1 0 372.425 2.123 20 5 FEBDRO Cc1nn(CCC(=O)NCc2ccc(CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000276429920 330150939 /nfs/dbraw/zinc/15/09/39/330150939.db2.gz RJBOUFHPLBSXCN-UHFFFAOYSA-N 1 0 373.457 2.219 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000276596590 330168400 /nfs/dbraw/zinc/16/84/00/330168400.db2.gz NSHMPOLZSHPWKV-GFCCVEGCSA-N 1 0 368.865 2.170 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000371460582 330244381 /nfs/dbraw/zinc/24/43/81/330244381.db2.gz YMQYHLVSSJATPT-CYBMUJFWSA-N 1 0 371.319 2.358 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000554720492 674332319 /nfs/dbraw/zinc/33/23/19/674332319.db2.gz YMQUPJWCHFMBCU-GDBMZVCRSA-N 1 0 365.455 2.289 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1Cl ZINC000554850473 674338513 /nfs/dbraw/zinc/33/85/13/674338513.db2.gz OAPQYVMKKRGRSP-UHFFFAOYSA-N 1 0 353.766 2.164 20 5 FEBDRO CN(C(=O)CN1CCCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155859967 545576757 /nfs/dbraw/zinc/57/67/57/545576757.db2.gz JXDFTZKQWASAIO-UHFFFAOYSA-N 1 0 374.363 2.128 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000156217715 545608350 /nfs/dbraw/zinc/60/83/50/545608350.db2.gz OMECZCVXMCTTET-TZMCWYRMSA-N 1 0 357.414 2.195 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157734912 545774675 /nfs/dbraw/zinc/77/46/75/545774675.db2.gz NNJIRRLODZIWLL-HOTGVXAUSA-N 1 0 369.425 2.445 20 5 FEBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000158179269 545832509 /nfs/dbraw/zinc/83/25/09/545832509.db2.gz RKJJYEFRSWQQMK-CQSZACIVSA-N 1 0 358.236 2.389 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000158598012 545875273 /nfs/dbraw/zinc/87/52/73/545875273.db2.gz GBYOAFGCMBDNGX-LBPRGKRZSA-N 1 0 371.434 2.371 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158982502 545911503 /nfs/dbraw/zinc/91/15/03/545911503.db2.gz SCVNZVHETDRFMT-LBPRGKRZSA-N 1 0 355.822 2.475 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160183256 546014849 /nfs/dbraw/zinc/01/48/49/546014849.db2.gz CECSBKCKMQYKQE-KWKDUPADSA-N 1 0 373.453 2.492 20 5 FEBDRO Cc1c(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000479687492 561195020 /nfs/dbraw/zinc/19/50/20/561195020.db2.gz FTYJDEBOGARQJL-INIZCTEOSA-N 1 0 352.460 2.140 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000175577347 546313279 /nfs/dbraw/zinc/31/32/79/546313279.db2.gz WSVYMFLTRGSKSM-KRWDZBQOSA-N 1 0 365.430 2.013 20 5 FEBDRO COc1ccccc1NC(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176207972 546419212 /nfs/dbraw/zinc/41/92/12/546419212.db2.gz IWUHGEDNBCVXDT-UHFFFAOYSA-N 1 0 373.413 2.151 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000480486794 561210389 /nfs/dbraw/zinc/21/03/89/561210389.db2.gz DKBGDIAKGXDYTK-CQSZACIVSA-N 1 0 364.446 2.209 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000176724724 546481057 /nfs/dbraw/zinc/48/10/57/546481057.db2.gz RYTUYUMTQLDJTR-CJNGLKHVSA-N 1 0 371.441 2.420 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1C ZINC000176975805 546516962 /nfs/dbraw/zinc/51/69/62/546516962.db2.gz SSWKQTRLEBAJCX-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036990 546529599 /nfs/dbraw/zinc/52/95/99/546529599.db2.gz JGVCBHQSYMMFDK-GXTWGEPZSA-N 1 0 355.398 2.136 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177470092 546625409 /nfs/dbraw/zinc/62/54/09/546625409.db2.gz BZEZOLJWYXMAQF-KBPBESRZSA-N 1 0 372.429 2.087 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177528847 546637048 /nfs/dbraw/zinc/63/70/48/546637048.db2.gz XNDSVVIIBJBFDQ-RYUDHWBXSA-N 1 0 350.375 2.414 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000180475508 547114907 /nfs/dbraw/zinc/11/49/07/547114907.db2.gz TXTMPRKBJRQAOS-QGZVFWFLSA-N 1 0 369.421 2.482 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+]2CCCC2)cc1 ZINC000180553738 547129074 /nfs/dbraw/zinc/12/90/74/547129074.db2.gz RKIDZCRQBLKCNB-QGZVFWFLSA-N 1 0 369.425 2.447 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2cccn2)cc1 ZINC000180817952 547184984 /nfs/dbraw/zinc/18/49/84/547184984.db2.gz RVWPFFJGHCKWCO-AWEZNQCLSA-N 1 0 353.382 2.293 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919215 547405309 /nfs/dbraw/zinc/40/53/09/547405309.db2.gz KXDUBAKFJJSARM-HOTGVXAUSA-N 1 0 351.447 2.141 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182160182 547445916 /nfs/dbraw/zinc/44/59/16/547445916.db2.gz ZBEJBBSTCKJPPM-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000183116877 547604660 /nfs/dbraw/zinc/60/46/60/547604660.db2.gz ZQDDRYALPIZQPX-ZDUSSCGKSA-N 1 0 358.398 2.421 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204048 547620202 /nfs/dbraw/zinc/62/02/02/547620202.db2.gz MGOHDDHIHXABQA-WDEREUQCSA-N 1 0 360.357 2.450 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183289677 547634103 /nfs/dbraw/zinc/63/41/03/547634103.db2.gz SBTFTBGXMHWYNA-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CS[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484615985 561301311 /nfs/dbraw/zinc/30/13/11/561301311.db2.gz ISDDOEHJMZGIQM-IRXDYDNUSA-N 1 0 351.472 2.485 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000184239671 547792330 /nfs/dbraw/zinc/79/23/30/547792330.db2.gz VFNNTRMWRHSXCV-AWEZNQCLSA-N 1 0 355.460 2.136 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)c2)CC1 ZINC000184318128 547807160 /nfs/dbraw/zinc/80/71/60/547807160.db2.gz WNRLEOUCNIEXDU-UHFFFAOYSA-N 1 0 369.425 2.177 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184520968 547840704 /nfs/dbraw/zinc/84/07/04/547840704.db2.gz JMWNSDODTHDMPC-KGLIPLIRSA-N 1 0 361.446 2.299 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184640597 547859718 /nfs/dbraw/zinc/85/97/18/547859718.db2.gz LBIHWAADZUUTFX-OAHLLOKOSA-N 1 0 363.462 2.359 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000485044286 561311264 /nfs/dbraw/zinc/31/12/64/561311264.db2.gz IJDYURHVHPZERN-HNNXBMFYSA-N 1 0 371.393 2.226 20 5 FEBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000485074778 561312038 /nfs/dbraw/zinc/31/20/38/561312038.db2.gz DNHSLZKPROHKQP-HNNXBMFYSA-N 1 0 369.377 2.328 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000184757915 547876275 /nfs/dbraw/zinc/87/62/75/547876275.db2.gz NQYSSJAOSKMHJC-GQCTYLIASA-N 1 0 371.397 2.323 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184989395 547913301 /nfs/dbraw/zinc/91/33/01/547913301.db2.gz CVKMRBSTEDEHOT-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185648998 548014992 /nfs/dbraw/zinc/01/49/92/548014992.db2.gz IGKRJVFFVXTGCP-OFQRWUPVSA-N 1 0 358.394 2.489 20 5 FEBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186327249 548119789 /nfs/dbraw/zinc/11/97/89/548119789.db2.gz HQUILNXDNDEGMS-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186663801 548168265 /nfs/dbraw/zinc/16/82/65/548168265.db2.gz VCABILPBSGEKOD-ZDUSSCGKSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000186753013 548185331 /nfs/dbraw/zinc/18/53/31/548185331.db2.gz JQUMDZXAVDBPQA-CYBMUJFWSA-N 1 0 350.419 2.212 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000186956619 548227220 /nfs/dbraw/zinc/22/72/20/548227220.db2.gz HOVFOXKHJKURMI-GOFCXVBSSA-N 1 0 361.442 2.302 20 5 FEBDRO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193998136 548419465 /nfs/dbraw/zinc/41/94/65/548419465.db2.gz GWVDXIUXONEYJG-MRXNPFEDSA-N 1 0 370.409 2.432 20 5 FEBDRO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000195111887 548577888 /nfs/dbraw/zinc/57/78/88/548577888.db2.gz YBSIPCSVLVFDBD-IBGZPJMESA-N 1 0 366.421 2.130 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3ncccc32)cc1C ZINC000487104313 561363820 /nfs/dbraw/zinc/36/38/20/561363820.db2.gz ZPAJTALRNQWWPS-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO CC[C@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487181554 561365527 /nfs/dbraw/zinc/36/55/27/561365527.db2.gz ABDAGANYLHCGAC-SFHVURJKSA-N 1 0 373.457 2.196 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000237047220 548796624 /nfs/dbraw/zinc/79/66/24/548796624.db2.gz NFRZQODOGMDGPU-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000237049912 548796767 /nfs/dbraw/zinc/79/67/67/548796767.db2.gz ZOPJXTMNKUSPHW-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237602522 548837424 /nfs/dbraw/zinc/83/74/24/548837424.db2.gz HTAHQIKGWGYJNH-ZACCUICWSA-N 1 0 359.835 2.118 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245408329 548909042 /nfs/dbraw/zinc/90/90/42/548909042.db2.gz GQMCWSMQQTVWKY-NEPJUHHUSA-N 1 0 359.386 2.293 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H]1c1ccccc1 ZINC000245515309 548937573 /nfs/dbraw/zinc/93/75/73/548937573.db2.gz DKYZIZZLUDFQBN-WMLDXEAASA-N 1 0 369.377 2.499 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246050930 549042335 /nfs/dbraw/zinc/04/23/35/549042335.db2.gz AXIUHDADXAWVRA-BLLLJJGKSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1C ZINC000246540412 549156217 /nfs/dbraw/zinc/15/62/17/549156217.db2.gz CWPYYBONVCZOQR-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246578081 549166627 /nfs/dbraw/zinc/16/66/27/549166627.db2.gz WOCDLBNMJFPINI-KFWWJZLASA-N 1 0 369.487 2.381 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488724854 561395458 /nfs/dbraw/zinc/39/54/58/561395458.db2.gz ZQCOVAQKPRRWNH-KCQAQPDRSA-N 1 0 362.430 2.333 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246767255 549207822 /nfs/dbraw/zinc/20/78/22/549207822.db2.gz LUHUEZHOGXYTCS-YJBOKZPZSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246789681 549212441 /nfs/dbraw/zinc/21/24/41/549212441.db2.gz ISQIBWOIEZHHKM-CVEARBPZSA-N 1 0 365.455 2.438 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000247335530 549319984 /nfs/dbraw/zinc/31/99/84/549319984.db2.gz HGGGPXOKZYKHJK-AAEUAGOBSA-N 1 0 373.862 2.353 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962849 549395091 /nfs/dbraw/zinc/39/50/91/549395091.db2.gz GKZUJQYCCQKUSZ-JKSUJKDBSA-N 1 0 369.425 2.337 20 5 FEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249112399 549555005 /nfs/dbraw/zinc/55/50/05/549555005.db2.gz RJNGXPDFLBWEJN-QAPCUYQASA-N 1 0 352.431 2.208 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249238333 549572488 /nfs/dbraw/zinc/57/24/88/549572488.db2.gz WJCYGILVOFCKLP-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249331170 549581172 /nfs/dbraw/zinc/58/11/72/549581172.db2.gz HQFYRKKLYUERTR-AWEZNQCLSA-N 1 0 351.447 2.271 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3cccnc3)n2)cc1 ZINC000261633906 549737365 /nfs/dbraw/zinc/73/73/65/549737365.db2.gz FBJYFPCFTRFARG-MRXNPFEDSA-N 1 0 366.381 2.186 20 5 FEBDRO CN(CC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000261722379 549748102 /nfs/dbraw/zinc/74/81/02/549748102.db2.gz LTJLYYFNLJJZAN-UHFFFAOYSA-N 1 0 358.373 2.455 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000261741272 549749459 /nfs/dbraw/zinc/74/94/59/549749459.db2.gz PEPANJTZYWHWDP-DGCLKSJQSA-N 1 0 364.427 2.033 20 5 FEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000261788046 549755947 /nfs/dbraw/zinc/75/59/47/549755947.db2.gz KQFGJDFOWRTTJT-VHSXEESVSA-N 1 0 356.220 2.096 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000262015526 549780564 /nfs/dbraw/zinc/78/05/64/549780564.db2.gz OLIOWJQEZDBYRI-IBGZPJMESA-N 1 0 371.441 2.267 20 5 FEBDRO COc1cc(C(=O)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262059764 549784636 /nfs/dbraw/zinc/78/46/36/549784636.db2.gz RPRNRJJOKLWTIR-OAHLLOKOSA-N 1 0 359.329 2.016 20 5 FEBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C ZINC000262807108 549851871 /nfs/dbraw/zinc/85/18/71/549851871.db2.gz QHNLSYVOAOXKTE-NXEZZACHSA-N 1 0 356.220 2.109 20 5 FEBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000490646636 561436705 /nfs/dbraw/zinc/43/67/05/561436705.db2.gz AGFDBKFJEMDROO-UHFFFAOYSA-N 1 0 367.402 2.206 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147487 550160699 /nfs/dbraw/zinc/16/06/99/550160699.db2.gz QBLHMMYQYJMXBQ-YPMHNXCESA-N 1 0 373.862 2.353 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269238087 550171196 /nfs/dbraw/zinc/17/11/96/550171196.db2.gz XMOLCLBJKRJWTE-PSASIEDQSA-N 1 0 359.329 2.014 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000493036800 561454225 /nfs/dbraw/zinc/45/42/25/561454225.db2.gz WRUWOLGYFHBLJX-UHFFFAOYSA-N 1 0 350.400 2.473 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000269434554 550195701 /nfs/dbraw/zinc/19/57/01/550195701.db2.gz QJTXGRQSQAMJOO-ZDUSSCGKSA-N 1 0 370.475 2.022 20 5 FEBDRO CC(C)N1CC[NH+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270572451 550285031 /nfs/dbraw/zinc/28/50/31/550285031.db2.gz ZUDBEZWGEJZSQG-UHFFFAOYSA-N 1 0 374.485 2.154 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270791818 550307360 /nfs/dbraw/zinc/30/73/60/550307360.db2.gz KCLDKJKUPQNSGP-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO CCOC(=O)CCCNC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270925498 550321742 /nfs/dbraw/zinc/32/17/42/550321742.db2.gz SMIKJGMNJUWLKA-UHFFFAOYSA-N 1 0 363.414 2.019 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCSC1 ZINC000270973604 550327532 /nfs/dbraw/zinc/32/75/32/550327532.db2.gz KDMRQDQKERJDLI-KRWDZBQOSA-N 1 0 360.439 2.310 20 5 FEBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272911354 550476547 /nfs/dbraw/zinc/47/65/47/550476547.db2.gz GJGYGZOHPNOABU-CQSZACIVSA-N 1 0 360.366 2.195 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000274934207 550566052 /nfs/dbraw/zinc/56/60/52/550566052.db2.gz OYEUFSCAECNYNE-JFIYKMOQSA-N 1 0 360.414 2.277 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277114579 550633836 /nfs/dbraw/zinc/63/38/36/550633836.db2.gz MTRZKSXHUBEJDI-NSHDSACASA-N 1 0 368.821 2.129 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277211073 550644084 /nfs/dbraw/zinc/64/40/84/550644084.db2.gz KPILKOXCSOTTRI-GFCCVEGCSA-N 1 0 354.382 2.356 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278059486 550744089 /nfs/dbraw/zinc/74/40/89/550744089.db2.gz MVYASPKIMBJYTC-FQEVSTJZSA-N 1 0 353.422 2.136 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000278289283 550769365 /nfs/dbraw/zinc/76/93/65/550769365.db2.gz PRUVFNWDYYYXKY-WCBMZHEXSA-N 1 0 359.329 2.075 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278488971 550791833 /nfs/dbraw/zinc/79/18/33/550791833.db2.gz LAGDADHUJPCOSB-AWEZNQCLSA-N 1 0 372.429 2.287 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278537536 550796869 /nfs/dbraw/zinc/79/68/69/550796869.db2.gz SPILUNBAEJRNHA-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000278633365 550806174 /nfs/dbraw/zinc/80/61/74/550806174.db2.gz FQSJNNKUHMKCLH-LKTVYLICSA-N 1 0 371.821 2.359 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1[N+](=O)[O-] ZINC000280867414 551040689 /nfs/dbraw/zinc/04/06/89/551040689.db2.gz COWSTEIUYGJARE-STQMWFEESA-N 1 0 357.414 2.112 20 5 FEBDRO COCCC[NH+]1CCC(Nc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000280947553 551048300 /nfs/dbraw/zinc/04/83/00/551048300.db2.gz JIHSZSIHIVYDRC-UHFFFAOYSA-N 1 0 361.402 2.156 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281075439 551060926 /nfs/dbraw/zinc/06/09/26/551060926.db2.gz UBKZRJRZDATZPK-DLBZAZTESA-N 1 0 373.409 2.021 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000281347308 551087046 /nfs/dbraw/zinc/08/70/46/551087046.db2.gz WWWZVYIVJAOYQB-ZDUSSCGKSA-N 1 0 371.235 2.109 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282166235 551189617 /nfs/dbraw/zinc/18/96/17/551189617.db2.gz URHCTUFSZVQLEX-UHFFFAOYSA-N 1 0 368.437 2.284 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282965890 551290770 /nfs/dbraw/zinc/29/07/70/551290770.db2.gz YSCGHVIWLYOXFM-PBHICJAKSA-N 1 0 350.415 2.261 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000283306768 551345131 /nfs/dbraw/zinc/34/51/31/551345131.db2.gz YTOSKRXCFCNDIZ-GHMZBOCLSA-N 1 0 355.366 2.240 20 5 FEBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCN(C)CC1 ZINC000283672251 551406949 /nfs/dbraw/zinc/40/69/49/551406949.db2.gz FAFARBBPSFIGKP-LBPRGKRZSA-N 1 0 369.853 2.253 20 5 FEBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000498018565 561513905 /nfs/dbraw/zinc/51/39/05/561513905.db2.gz GPSBYKQYKQVAHE-RDJZCZTQSA-N 1 0 371.441 2.475 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+](C)C)CC2)cc1OC ZINC000498176742 561517631 /nfs/dbraw/zinc/51/76/31/561517631.db2.gz RYVKOYTXEUMADZ-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217225 561519034 /nfs/dbraw/zinc/51/90/34/561519034.db2.gz VDWSQQXDMNZGLO-VXGBXAGGSA-N 1 0 373.356 2.076 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284353772 551531181 /nfs/dbraw/zinc/53/11/81/551531181.db2.gz SHNUVGJQEIEIJX-LBPRGKRZSA-N 1 0 372.429 2.179 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000498583124 561529542 /nfs/dbraw/zinc/52/95/42/561529542.db2.gz IYGKSFLCRFOOCL-QWHCGFSZSA-N 1 0 363.414 2.326 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000285157619 551712483 /nfs/dbraw/zinc/71/24/83/551712483.db2.gz AHQHKPLHYLLZAM-NWDGAFQWSA-N 1 0 373.862 2.496 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000285256668 551727513 /nfs/dbraw/zinc/72/75/13/551727513.db2.gz XABHGRALVYMFEX-NSHDSACASA-N 1 0 367.402 2.109 20 5 FEBDRO CN(C)C(=O)OC[C@H]1CCCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285502628 551766345 /nfs/dbraw/zinc/76/63/45/551766345.db2.gz NHBBUEWVIWIQSK-CYBMUJFWSA-N 1 0 364.402 2.086 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H](C)[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000498928055 561538223 /nfs/dbraw/zinc/53/82/23/561538223.db2.gz HUKGHZMKDQKOHO-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000285875808 551822215 /nfs/dbraw/zinc/82/22/15/551822215.db2.gz QOIGIPQOJQAVAZ-WBMJQRKESA-N 1 0 361.398 2.080 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286343043 551876842 /nfs/dbraw/zinc/87/68/42/551876842.db2.gz RZKGIDXNLWXDEA-CQSZACIVSA-N 1 0 368.231 2.336 20 5 FEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286365321 551879060 /nfs/dbraw/zinc/87/90/60/551879060.db2.gz HQPBMITWWPZCEX-CQSZACIVSA-N 1 0 362.430 2.304 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000286876731 551935843 /nfs/dbraw/zinc/93/58/43/551935843.db2.gz CDSOIKDFYMXELP-BBRMVZONSA-N 1 0 352.456 2.330 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394422 551998443 /nfs/dbraw/zinc/99/84/43/551998443.db2.gz YLPAMGUJVUOIHT-KDOFPFPSSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000287915824 552062460 /nfs/dbraw/zinc/06/24/60/552062460.db2.gz PZWLLYUEFKAJJL-UHFFFAOYSA-N 1 0 363.418 2.038 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000288239017 552117030 /nfs/dbraw/zinc/11/70/30/552117030.db2.gz FNUDQDSLJAPFBX-CYBMUJFWSA-N 1 0 350.419 2.253 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360199 552140186 /nfs/dbraw/zinc/14/01/86/552140186.db2.gz KORMROJYSOSPLV-PWSUYJOCSA-N 1 0 361.427 2.298 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288479710 552160634 /nfs/dbraw/zinc/16/06/34/552160634.db2.gz QXIKOWQBKTWGEI-GOSISDBHSA-N 1 0 355.398 2.056 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499936115 561562207 /nfs/dbraw/zinc/56/22/07/561562207.db2.gz ZOGUUTCJMXAKEP-KRWDZBQOSA-N 1 0 374.441 2.119 20 5 FEBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000499933970 561562265 /nfs/dbraw/zinc/56/22/65/561562265.db2.gz WPAIDTDCLRYIQT-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288867645 552227317 /nfs/dbraw/zinc/22/73/17/552227317.db2.gz QHIABAWLXHDJBK-GOSISDBHSA-N 1 0 365.430 2.417 20 5 FEBDRO C[NH+](C)[C@@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCSC1 ZINC000500270802 561569284 /nfs/dbraw/zinc/56/92/84/561569284.db2.gz GYDHSESANUCTFS-GFCCVEGCSA-N 1 0 361.265 2.023 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000289351176 552305431 /nfs/dbraw/zinc/30/54/31/552305431.db2.gz JCINLOONLPTBLO-RZIFZGNASA-N 1 0 367.471 2.211 20 5 FEBDRO CC(C)(CO)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccs1 ZINC000289751968 552372402 /nfs/dbraw/zinc/37/24/02/552372402.db2.gz LFDNOSLTYXKMGV-OAHLLOKOSA-N 1 0 351.428 2.167 20 5 FEBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000500412957 561572213 /nfs/dbraw/zinc/57/22/13/561572213.db2.gz FMVGTOWEAPVZIH-QGZVFWFLSA-N 1 0 358.398 2.498 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000290582001 552502150 /nfs/dbraw/zinc/50/21/50/552502150.db2.gz URLWBYMFDMANNE-BBRMVZONSA-N 1 0 374.441 2.181 20 5 FEBDRO CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290672148 552517109 /nfs/dbraw/zinc/51/71/09/552517109.db2.gz RHIZSRHNDKLCQB-UHFFFAOYSA-N 1 0 369.425 2.190 20 5 FEBDRO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000290753102 552531960 /nfs/dbraw/zinc/53/19/60/552531960.db2.gz JASSRDLVTKWWOC-OAHLLOKOSA-N 1 0 369.425 2.190 20 5 FEBDRO Cc1cc(N2CCC([NH2+]CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000291031358 552578108 /nfs/dbraw/zinc/57/81/08/552578108.db2.gz YTUKWLNUFDTUMN-UHFFFAOYSA-N 1 0 358.236 2.216 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291775122 552660510 /nfs/dbraw/zinc/66/05/10/552660510.db2.gz LZENOHSQJSHWCI-AWEZNQCLSA-N 1 0 359.386 2.076 20 5 FEBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292354785 552719049 /nfs/dbraw/zinc/71/90/49/552719049.db2.gz PZGFDWVLFJNNDK-NVXWUHKLSA-N 1 0 363.458 2.141 20 5 FEBDRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962704 552775230 /nfs/dbraw/zinc/77/52/30/552775230.db2.gz FVIVYWVQZBEGBX-YJBOKZPZSA-N 1 0 352.431 2.065 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293501378 552830183 /nfs/dbraw/zinc/83/01/83/552830183.db2.gz XFPBBHQXEARCQT-LJQANCHMSA-N 1 0 374.441 2.040 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293992120 552873540 /nfs/dbraw/zinc/87/35/40/552873540.db2.gz WLDJDVDILKAVCS-LSDHHAIUSA-N 1 0 369.368 2.008 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000294180949 552888469 /nfs/dbraw/zinc/88/84/69/552888469.db2.gz PAUJUFQVBRBFNU-KRWDZBQOSA-N 1 0 351.378 2.057 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294607828 552920168 /nfs/dbraw/zinc/92/01/68/552920168.db2.gz MRCRVQGUQDHRCU-LLVKDONJSA-N 1 0 361.320 2.064 20 5 FEBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000294740151 552930707 /nfs/dbraw/zinc/93/07/07/552930707.db2.gz CGWCKOQXNRWVTP-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC000295231994 552973101 /nfs/dbraw/zinc/97/31/01/552973101.db2.gz BSRCVOQFRFSXDY-AWEZNQCLSA-N 1 0 369.425 2.337 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000295419645 553004172 /nfs/dbraw/zinc/00/41/72/553004172.db2.gz VWFISALJYDDDDB-QGZVFWFLSA-N 1 0 365.455 2.111 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](C)N1CC[NH+](C)CC1 ZINC000295551820 553025084 /nfs/dbraw/zinc/02/50/84/553025084.db2.gz PLWOKMGUNZJCHG-ZDUSSCGKSA-N 1 0 359.430 2.199 20 5 FEBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000502416813 561617833 /nfs/dbraw/zinc/61/78/33/561617833.db2.gz QHLQTYXRGRVVHN-LBPRGKRZSA-N 1 0 367.427 2.434 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296441291 553160349 /nfs/dbraw/zinc/16/03/49/553160349.db2.gz WOWOPQMYHCNBEA-JCURWCKSSA-N 1 0 361.398 2.089 20 5 FEBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296554736 553178708 /nfs/dbraw/zinc/17/87/08/553178708.db2.gz PDEJFJSWJROEIS-UHFFFAOYSA-N 1 0 370.457 2.443 20 5 FEBDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297459302 553295067 /nfs/dbraw/zinc/29/50/67/553295067.db2.gz CFAKUZPYRNAMQF-AWEZNQCLSA-N 1 0 364.446 2.144 20 5 FEBDRO C[N@H+](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000297536583 553305641 /nfs/dbraw/zinc/30/56/41/553305641.db2.gz YFKDXRNFAAKYHE-UHFFFAOYSA-N 1 0 366.418 2.380 20 5 FEBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297776011 553337357 /nfs/dbraw/zinc/33/73/57/553337357.db2.gz GKTGOOYTMQPEMB-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000298097988 553383706 /nfs/dbraw/zinc/38/37/06/553383706.db2.gz IPPIJBGPRDPJCK-KRWDZBQOSA-N 1 0 365.430 2.319 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000298122937 553387073 /nfs/dbraw/zinc/38/70/73/553387073.db2.gz KKAQDLRBVHDGDX-KRWDZBQOSA-N 1 0 365.430 2.319 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000298620775 553450213 /nfs/dbraw/zinc/45/02/13/553450213.db2.gz PECPJWUWNBYNPV-CYBMUJFWSA-N 1 0 355.822 2.133 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000298736779 553466405 /nfs/dbraw/zinc/46/64/05/553466405.db2.gz VQHUWNRIUILENW-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1noc([C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000298787688 553473165 /nfs/dbraw/zinc/47/31/65/553473165.db2.gz PUNQKKVAPPQOKT-DGCLKSJQSA-N 1 0 359.386 2.493 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000299192648 553528048 /nfs/dbraw/zinc/52/80/48/553528048.db2.gz DJOZJYVUAUKZRO-SWLSCSKDSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000299590941 553585458 /nfs/dbraw/zinc/58/54/58/553585458.db2.gz ICRPJRHONRNXLV-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301184076 553628918 /nfs/dbraw/zinc/62/89/18/553628918.db2.gz JDQJUMHJPFCKDO-GFCCVEGCSA-N 1 0 353.444 2.427 20 5 FEBDRO CS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301184082 553628975 /nfs/dbraw/zinc/62/89/75/553628975.db2.gz JDQJUMHJPFCKDO-LBPRGKRZSA-N 1 0 353.444 2.427 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572234 553662117 /nfs/dbraw/zinc/66/21/17/553662117.db2.gz LETMUGXUWSEPBU-GUYCJALGSA-N 1 0 369.425 2.411 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690145 553671701 /nfs/dbraw/zinc/67/17/01/553671701.db2.gz NEROERJGEJHNDS-UHFFFAOYSA-N 1 0 373.236 2.016 20 5 FEBDRO CNC(=O)C[NH+]1CCC(Nc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302031193 553699314 /nfs/dbraw/zinc/69/93/14/553699314.db2.gz SFEGWCNFJNKJPM-UHFFFAOYSA-N 1 0 357.414 2.074 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302428164 553716738 /nfs/dbraw/zinc/71/67/38/553716738.db2.gz KKZVUCPHQVNHMV-WDEREUQCSA-N 1 0 358.236 2.249 20 5 FEBDRO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302491210 553718456 /nfs/dbraw/zinc/71/84/56/553718456.db2.gz KDGBVUPUVSINOL-JTQLQIEISA-N 1 0 373.251 2.034 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000319852378 553764336 /nfs/dbraw/zinc/76/43/36/553764336.db2.gz PVNWBVVREQKJBL-NSHDSACASA-N 1 0 359.835 2.201 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(OC)c1 ZINC000505999890 561687158 /nfs/dbraw/zinc/68/71/58/561687158.db2.gz PXOAYADXQQUQSV-OAHLLOKOSA-N 1 0 361.402 2.139 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000507459523 561730036 /nfs/dbraw/zinc/73/00/36/561730036.db2.gz GFSVXLKWYYLWDC-IRXDYDNUSA-N 1 0 367.471 2.432 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330485988 554127949 /nfs/dbraw/zinc/12/79/49/554127949.db2.gz CUSGDAJKXVQRAC-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330617295 554146647 /nfs/dbraw/zinc/14/66/47/554146647.db2.gz WWZIQKPRPVHBRN-OLZOCXBDSA-N 1 0 361.851 2.198 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331014379 554201431 /nfs/dbraw/zinc/20/14/31/554201431.db2.gz XERNJWARLJPFTN-HNNXBMFYSA-N 1 0 354.838 2.459 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)CC1 ZINC000509181648 561788811 /nfs/dbraw/zinc/78/88/11/561788811.db2.gz GCCQIFSEVOHZTN-UHFFFAOYSA-N 1 0 357.414 2.480 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331865088 554334114 /nfs/dbraw/zinc/33/41/14/554334114.db2.gz GANSUAZADGLYFF-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331892481 554340504 /nfs/dbraw/zinc/34/05/04/554340504.db2.gz FSSAEWGLOBIFCP-GFCCVEGCSA-N 1 0 371.434 2.338 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000331962888 554353535 /nfs/dbraw/zinc/35/35/35/554353535.db2.gz VGHLLVUPVRDDKC-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000332073001 554374116 /nfs/dbraw/zinc/37/41/16/554374116.db2.gz DHHRKIOQFGWAQY-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000332197827 554399485 /nfs/dbraw/zinc/39/94/85/554399485.db2.gz DZHVPOUFNNPTIW-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000332316745 554423980 /nfs/dbraw/zinc/42/39/80/554423980.db2.gz YRBWYCZAVOSLRG-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592789 554478733 /nfs/dbraw/zinc/47/87/33/554478733.db2.gz NYLYZRINDQYGQD-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@@H]1C[C@@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000510200168 561828093 /nfs/dbraw/zinc/82/80/93/561828093.db2.gz WYBODKOKWRCCCN-NVXWUHKLSA-N 1 0 371.441 2.208 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510521597 561837511 /nfs/dbraw/zinc/83/75/11/561837511.db2.gz IPDWYZNTNUPHBL-SWLSCSKDSA-N 1 0 359.430 2.366 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000510550336 561838734 /nfs/dbraw/zinc/83/87/34/561838734.db2.gz FYODNKGMKYHBSN-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510679781 561843190 /nfs/dbraw/zinc/84/31/90/561843190.db2.gz GYPARZFMTZWTIS-HOTGVXAUSA-N 1 0 353.444 2.041 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000511312923 561864778 /nfs/dbraw/zinc/86/47/78/561864778.db2.gz FPINYIXVPKVQDS-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[C@H]3[NH+]3CCOCC3)cc2N1 ZINC000360231277 554868255 /nfs/dbraw/zinc/86/82/55/554868255.db2.gz VXWMQCMONPQEQW-RHSMWYFYSA-N 1 0 374.441 2.392 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360828286 554891754 /nfs/dbraw/zinc/89/17/54/554891754.db2.gz IUYYTJZEBXFWLX-PBHICJAKSA-N 1 0 361.446 2.085 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853513 554892997 /nfs/dbraw/zinc/89/29/97/554892997.db2.gz YBZJFZAGLISLML-DOTOQJQBSA-N 1 0 360.458 2.001 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391123 554920463 /nfs/dbraw/zinc/92/04/63/554920463.db2.gz IPXCPWFJGUWTBA-IINYFYTJSA-N 1 0 363.443 2.365 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000361832657 554936969 /nfs/dbraw/zinc/93/69/69/554936969.db2.gz YRFANVUYKNYDSL-ZDUSSCGKSA-N 1 0 353.854 2.107 20 5 FEBDRO COCc1nccc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781499 554988010 /nfs/dbraw/zinc/98/80/10/554988010.db2.gz NRCKLMNESUFLSO-MAUKXSAKSA-N 1 0 372.425 2.444 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000363020784 555012008 /nfs/dbraw/zinc/01/20/08/555012008.db2.gz UPLUZQLSNMIELB-KGLIPLIRSA-N 1 0 353.444 2.056 20 5 FEBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000363170460 555044608 /nfs/dbraw/zinc/04/46/08/555044608.db2.gz IIPWIEHYTDRELV-CYBMUJFWSA-N 1 0 368.397 2.443 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000363781764 555184758 /nfs/dbraw/zinc/18/47/58/555184758.db2.gz SPGULRQGSYSQIM-AEFFLSMTSA-N 1 0 357.410 2.294 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000363781769 555184849 /nfs/dbraw/zinc/18/48/49/555184849.db2.gz SPGULRQGSYSQIM-FUHWJXTLSA-N 1 0 357.410 2.294 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000363781773 555185014 /nfs/dbraw/zinc/18/50/14/555185014.db2.gz SPGULRQGSYSQIM-WMZOPIPTSA-N 1 0 357.410 2.294 20 5 FEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000364386767 555303726 /nfs/dbraw/zinc/30/37/26/555303726.db2.gz RRKPNOCXHSUATC-ZDUSSCGKSA-N 1 0 363.418 2.108 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512395357 561903322 /nfs/dbraw/zinc/90/33/22/561903322.db2.gz TYKYJBULCXXQCX-UONOGXRCSA-N 1 0 367.471 2.038 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CC2 ZINC000364848183 555414399 /nfs/dbraw/zinc/41/43/99/555414399.db2.gz ARZTWKQBUPYROZ-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364863264 555418365 /nfs/dbraw/zinc/41/83/65/555418365.db2.gz BUHGABHFTJBZNW-ZDUSSCGKSA-N 1 0 354.401 2.478 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1N)C1CCN(c2cc[nH+]cc2)CC1 ZINC000364919142 555437905 /nfs/dbraw/zinc/43/79/05/555437905.db2.gz USRCIJONDCZTCC-UHFFFAOYSA-N 1 0 355.398 2.313 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364962191 555451086 /nfs/dbraw/zinc/45/10/86/555451086.db2.gz UKWYGHYVAJZMHR-CQSZACIVSA-N 1 0 354.838 2.067 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)n1 ZINC000365128546 555491363 /nfs/dbraw/zinc/49/13/63/555491363.db2.gz ZCHQZBKLJZXBML-CQSZACIVSA-N 1 0 366.443 2.067 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000365223401 555515246 /nfs/dbraw/zinc/51/52/46/555515246.db2.gz UPTMYNCAHJQFCE-LOWVWBTDSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365951748 555709535 /nfs/dbraw/zinc/70/95/35/555709535.db2.gz CRBLDOGBOCSCFC-UHFFFAOYSA-N 1 0 358.402 3.010 20 5 FEBDRO CCOC(=O)C1(COC)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000366568685 555878316 /nfs/dbraw/zinc/87/83/16/555878316.db2.gz GHPOAJLXJZJQAJ-UHFFFAOYSA-N 1 0 366.414 2.265 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000366625701 555894218 /nfs/dbraw/zinc/89/42/18/555894218.db2.gz KOFXQNKPXXLDKI-UHFFFAOYSA-N 1 0 366.381 2.273 20 5 FEBDRO Cc1cc(OCC(=O)N(C)Cc2cn3c(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000366647343 555898837 /nfs/dbraw/zinc/89/88/37/555898837.db2.gz SPLMYDBLTSOURY-UHFFFAOYSA-N 1 0 358.398 2.473 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366836927 555947581 /nfs/dbraw/zinc/94/75/81/555947581.db2.gz FKOJMSFKRTXVNK-SWLSCSKDSA-N 1 0 351.378 2.103 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000514542568 561966918 /nfs/dbraw/zinc/96/69/18/561966918.db2.gz GFXNNVCFNOZJQA-UONOGXRCSA-N 1 0 355.460 2.444 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000514789437 561979826 /nfs/dbraw/zinc/97/98/26/561979826.db2.gz JBZJPULKDILOMP-LSDHHAIUSA-N 1 0 369.425 2.242 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367786874 556138926 /nfs/dbraw/zinc/13/89/26/556138926.db2.gz WIYQPQXUOCURNA-UHFFFAOYSA-N 1 0 365.393 2.422 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000368095511 556218115 /nfs/dbraw/zinc/21/81/15/556218115.db2.gz QOHZEDMINDWQSP-LJQANCHMSA-N 1 0 355.394 2.226 20 5 FEBDRO COc1ccc(CC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515051480 561993888 /nfs/dbraw/zinc/99/38/88/561993888.db2.gz XHLRYWRKDDLXFM-AWEZNQCLSA-N 1 0 361.442 2.479 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552346 562014968 /nfs/dbraw/zinc/01/49/68/562014968.db2.gz DUCBJDJLQSRJFT-HOTGVXAUSA-N 1 0 374.441 2.194 20 5 FEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958971 556459275 /nfs/dbraw/zinc/45/92/75/556459275.db2.gz PUCMFVCPHSBJTH-QANKJYHBSA-N 1 0 369.425 2.081 20 5 FEBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976181 556465437 /nfs/dbraw/zinc/46/54/37/556465437.db2.gz UNUVHMLSRLBAAC-FZMZJTMJSA-N 1 0 364.475 2.093 20 5 FEBDRO CCCN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000369156228 556519598 /nfs/dbraw/zinc/51/95/98/556519598.db2.gz NPGYARNFIFEJMQ-UHFFFAOYSA-N 1 0 374.445 2.127 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253985 556551242 /nfs/dbraw/zinc/55/12/42/556551242.db2.gz JCDBRTFJTNFUMQ-LBPRGKRZSA-N 1 0 366.849 2.147 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369309874 556571361 /nfs/dbraw/zinc/57/13/61/556571361.db2.gz IZZRMYATAZICGB-UHFFFAOYSA-N 1 0 363.414 2.170 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369530996 556622748 /nfs/dbraw/zinc/62/27/48/556622748.db2.gz JETBDOONRHTCHX-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369669368 556664168 /nfs/dbraw/zinc/66/41/68/556664168.db2.gz ZOXUWLPXDLPHMH-CGTJXYLNSA-N 1 0 358.442 2.263 20 5 FEBDRO Cc1ccccc1NC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369833292 556707550 /nfs/dbraw/zinc/70/75/50/556707550.db2.gz JUAUDYCEGDJZHQ-KRWDZBQOSA-N 1 0 359.430 2.037 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3F)C2)c1 ZINC000369974996 556746382 /nfs/dbraw/zinc/74/63/82/556746382.db2.gz QVXWXGYAIXCKCI-ZFWWWQNUSA-N 1 0 364.377 2.007 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000370632347 556926240 /nfs/dbraw/zinc/92/62/40/556926240.db2.gz ZRKBUJSNTZFVGO-GJZGRUSLSA-N 1 0 373.862 2.449 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370762093 556961233 /nfs/dbraw/zinc/96/12/33/556961233.db2.gz ZESIECQUPUQCAY-OTTBVJJXSA-N 1 0 359.426 2.225 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371334869 557151063 /nfs/dbraw/zinc/15/10/63/557151063.db2.gz HKGORJASVHJGPK-OAHLLOKOSA-N 1 0 352.398 2.348 20 5 FEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371352428 557157100 /nfs/dbraw/zinc/15/71/00/557157100.db2.gz XJSZCBDIEBBTMS-WFASDCNBSA-N 1 0 353.854 2.105 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360888 557160236 /nfs/dbraw/zinc/16/02/36/557160236.db2.gz LDWVDLOJZCMZBC-WMLDXEAASA-N 1 0 364.833 2.370 20 5 FEBDRO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491996 557199273 /nfs/dbraw/zinc/19/92/73/557199273.db2.gz ZRCAUQKUKJZWMS-UONOGXRCSA-N 1 0 357.414 2.340 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2CC)cc([N+](=O)[O-])c1 ZINC000517641442 562094444 /nfs/dbraw/zinc/09/44/44/562094444.db2.gz PEZLTKFIRDUVDS-OAHLLOKOSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371506305 557203360 /nfs/dbraw/zinc/20/33/60/557203360.db2.gz QHVKGBMMCGUNMZ-BXUZGUMPSA-N 1 0 373.862 2.271 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000371546759 557217155 /nfs/dbraw/zinc/21/71/55/557217155.db2.gz OCOFFPDQKZKLOO-KDOFPFPSSA-N 1 0 358.442 2.361 20 5 FEBDRO Cc1c(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000371558111 557221936 /nfs/dbraw/zinc/22/19/36/557221936.db2.gz OMJXLUCSTUNZHR-UHFFFAOYSA-N 1 0 369.425 2.109 20 5 FEBDRO C[NH+]1CCC(Oc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccn2)CC1 ZINC000371694526 557266042 /nfs/dbraw/zinc/26/60/42/557266042.db2.gz UEWFKROAHFFYIS-UHFFFAOYSA-N 1 0 357.370 2.110 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000518342610 562109091 /nfs/dbraw/zinc/10/90/91/562109091.db2.gz ADLKNZQIXPODFU-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000371960214 557340143 /nfs/dbraw/zinc/34/01/43/557340143.db2.gz NQMNHISKZVBSJE-CQSZACIVSA-N 1 0 367.471 2.373 20 5 FEBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000372674545 557534851 /nfs/dbraw/zinc/53/48/51/557534851.db2.gz MCFHHWZLHZVLNT-IAQYHMDHSA-N 1 0 369.368 2.104 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000519655934 562138850 /nfs/dbraw/zinc/13/88/50/562138850.db2.gz STDUBELZBXQABX-CABCVRRESA-N 1 0 367.471 2.167 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000372883922 557582144 /nfs/dbraw/zinc/58/21/44/557582144.db2.gz SLQPEUUBJXJAAQ-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112983 557631491 /nfs/dbraw/zinc/63/14/91/557631491.db2.gz PDPXOLLLLUIVHT-WMLDXEAASA-N 1 0 373.413 2.189 20 5 FEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000373165928 557642203 /nfs/dbraw/zinc/64/22/03/557642203.db2.gz KCSBVIYWSYSSMY-LBPRGKRZSA-N 1 0 353.854 2.248 20 5 FEBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2)C1CC1 ZINC000373217968 557651606 /nfs/dbraw/zinc/65/16/06/557651606.db2.gz RZRXDYWCCYSUIX-ZDUSSCGKSA-N 1 0 360.414 2.032 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520009996 562148629 /nfs/dbraw/zinc/14/86/29/562148629.db2.gz CUVRGAANVSAUAC-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281153 557664590 /nfs/dbraw/zinc/66/45/90/557664590.db2.gz ONQFPZHENBSXOJ-BDJLRTHQSA-N 1 0 366.805 2.058 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000373607480 557728490 /nfs/dbraw/zinc/72/84/90/557728490.db2.gz AOKPKUINOPYECP-SJLPKXTDSA-N 1 0 355.398 2.124 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c[nH]c3ncccc23)c1 ZINC000520569152 562159085 /nfs/dbraw/zinc/15/90/85/562159085.db2.gz VSZNPSVSDSJVAJ-OAHLLOKOSA-N 1 0 356.382 2.043 20 5 FEBDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000373941396 557792628 /nfs/dbraw/zinc/79/26/28/557792628.db2.gz LKTAEWLKQVRNID-UHFFFAOYSA-N 1 0 360.414 2.329 20 5 FEBDRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000374433386 557883469 /nfs/dbraw/zinc/88/34/69/557883469.db2.gz ATJIOUIGXZKDMY-ZDUSSCGKSA-N 1 0 364.427 2.264 20 5 FEBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609945 557906446 /nfs/dbraw/zinc/90/64/46/557906446.db2.gz HCQMKZQUFXNEIG-SJORKVTESA-N 1 0 360.414 2.306 20 5 FEBDRO CC[NH+]1CCC(N(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C2CC2)CC1 ZINC000374823292 557936660 /nfs/dbraw/zinc/93/66/60/557936660.db2.gz KSNYHGFSUUQQLD-UHFFFAOYSA-N 1 0 350.394 2.405 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374834160 557938085 /nfs/dbraw/zinc/93/80/85/557938085.db2.gz RUAQFEIAEGZMRN-NSHDSACASA-N 1 0 350.394 2.405 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@H]21 ZINC000375050319 557970076 /nfs/dbraw/zinc/97/00/76/557970076.db2.gz QIGUPNDMKMDDNF-RDTXWAMCSA-N 1 0 358.442 2.361 20 5 FEBDRO C[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375241988 557996978 /nfs/dbraw/zinc/99/69/78/557996978.db2.gz MKTHLWKTPRTLCV-CABCVRRESA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cccc1[N+](=O)[O-] ZINC000375501786 558038789 /nfs/dbraw/zinc/03/87/89/558038789.db2.gz HDJCIBIABCEOSZ-RVZJWNSFSA-N 1 0 357.414 2.307 20 5 FEBDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000375517746 558041883 /nfs/dbraw/zinc/04/18/83/558041883.db2.gz ZTRXUCDSZPCITR-FRQCXROJSA-N 1 0 369.425 2.315 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899475 558096078 /nfs/dbraw/zinc/09/60/78/558096078.db2.gz CDRNNLYOTYFFLN-KRWDZBQOSA-N 1 0 350.438 2.334 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000376418452 558170551 /nfs/dbraw/zinc/17/05/51/558170551.db2.gz XUAFHWBAQPROIZ-SECBINFHSA-N 1 0 359.329 2.077 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000377273322 558303156 /nfs/dbraw/zinc/30/31/56/558303156.db2.gz MMBGGRZKDHOVQO-KGLIPLIRSA-N 1 0 359.835 2.140 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000377411494 558335553 /nfs/dbraw/zinc/33/55/53/558335553.db2.gz LNFKTIQLXISASP-MJGOQNOKSA-N 1 0 355.442 2.434 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481873 558348311 /nfs/dbraw/zinc/34/83/11/558348311.db2.gz PMBJJAAMMMWKCR-CFVMTHIKSA-N 1 0 365.455 2.055 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000378401214 558548428 /nfs/dbraw/zinc/54/84/28/558548428.db2.gz KKRCDSOQJHEZIN-UHFFFAOYSA-N 1 0 356.382 2.064 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+](C)C ZINC000523699682 562218089 /nfs/dbraw/zinc/21/80/89/562218089.db2.gz BBXQEQGJODBDCI-ZDUSSCGKSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1C ZINC000397248402 558623910 /nfs/dbraw/zinc/62/39/10/558623910.db2.gz GCOAGFXXABOFME-RDBSUJKOSA-N 1 0 355.460 2.206 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000404607348 558631965 /nfs/dbraw/zinc/63/19/65/558631965.db2.gz MPOGDVHSYJGOJM-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524253240 562226010 /nfs/dbraw/zinc/22/60/10/562226010.db2.gz DPDBNKMZYCWTDR-QGZVFWFLSA-N 1 0 363.458 2.345 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408466640 558680328 /nfs/dbraw/zinc/68/03/28/558680328.db2.gz MOPKIUOQTJEGTG-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000524872543 562236550 /nfs/dbraw/zinc/23/65/50/562236550.db2.gz NOTFPRMCYJNFNF-CHWSQXEVSA-N 1 0 371.459 2.097 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000411258019 558862391 /nfs/dbraw/zinc/86/23/91/558862391.db2.gz VJRJLTNVEISDHG-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000411306241 558872947 /nfs/dbraw/zinc/87/29/47/558872947.db2.gz YRLIWNNMPFJEFA-ZFWWWQNUSA-N 1 0 362.430 2.173 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000411306239 558873088 /nfs/dbraw/zinc/87/30/88/558873088.db2.gz YRLIWNNMPFJEFA-HIFRSBDPSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411365807 558885883 /nfs/dbraw/zinc/88/58/83/558885883.db2.gz XQTCYRAFQQYZPP-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1F ZINC000411419117 558891538 /nfs/dbraw/zinc/89/15/38/558891538.db2.gz SDFSNNAWYQEOMV-LBPRGKRZSA-N 1 0 353.394 2.133 20 5 FEBDRO COC(=O)CC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000411474880 558901056 /nfs/dbraw/zinc/90/10/56/558901056.db2.gz CSGBYARHWHILSC-UHFFFAOYSA-N 1 0 365.386 2.007 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000411578176 558921532 /nfs/dbraw/zinc/92/15/32/558921532.db2.gz RQJNVQQNLNJTAM-FUHWJXTLSA-N 1 0 373.413 2.085 20 5 FEBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000411609946 558928424 /nfs/dbraw/zinc/92/84/24/558928424.db2.gz MDEFQAIUIWIYNW-CRAIPNDOSA-N 1 0 365.430 2.079 20 5 FEBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411700817 558946852 /nfs/dbraw/zinc/94/68/52/558946852.db2.gz OBKYVHAVIBRZRH-INIZCTEOSA-N 1 0 362.430 2.304 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000412119547 559015514 /nfs/dbraw/zinc/01/55/14/559015514.db2.gz FGKGMTRJKAAZOG-RBUKOAKNSA-N 1 0 373.453 2.269 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412210495 559020191 /nfs/dbraw/zinc/02/01/91/559020191.db2.gz DNLYDVBOJKVEEL-OKZBNKHCSA-N 1 0 361.442 2.051 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1[NH+](C)C ZINC000412218621 559020790 /nfs/dbraw/zinc/02/07/90/559020790.db2.gz RXVOKCSCBGCUKI-ZBFHGGJFSA-N 1 0 367.471 2.500 20 5 FEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000412561488 559043265 /nfs/dbraw/zinc/04/32/65/559043265.db2.gz FAORRFSIMPZYCZ-UHFFFAOYSA-N 1 0 362.386 2.135 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413091893 559077211 /nfs/dbraw/zinc/07/72/11/559077211.db2.gz LIBOEBDNLVBAAV-UHFFFAOYSA-N 1 0 361.368 2.447 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1F ZINC000413168189 559084829 /nfs/dbraw/zinc/08/48/29/559084829.db2.gz MKRSYNWIPPDPNT-GXTWGEPZSA-N 1 0 351.378 2.028 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000413540868 559115335 /nfs/dbraw/zinc/11/53/35/559115335.db2.gz VIUMECBXVLFFQD-HUUCEWRRSA-N 1 0 362.455 3.000 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414514688 559169712 /nfs/dbraw/zinc/16/97/12/559169712.db2.gz MDIAFRHRCDUWAM-DYEKYZERSA-N 1 0 352.387 2.050 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414522275 559169855 /nfs/dbraw/zinc/16/98/55/559169855.db2.gz GMKMPYPZGARXHX-LBPRGKRZSA-N 1 0 352.387 2.194 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000414759441 559185947 /nfs/dbraw/zinc/18/59/47/559185947.db2.gz OHZVBQXDWMDKKR-NSHDSACASA-N 1 0 354.407 2.369 20 5 FEBDRO COc1cc(CNC[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414880925 559192517 /nfs/dbraw/zinc/19/25/17/559192517.db2.gz RJZFEDAAFFPZPR-VIFPVBQESA-N 1 0 351.325 2.229 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCO1 ZINC000415434356 559236304 /nfs/dbraw/zinc/23/63/04/559236304.db2.gz HPYFXNRPKBBBEF-SNVBAGLBSA-N 1 0 362.308 2.195 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415485421 559242261 /nfs/dbraw/zinc/24/22/61/559242261.db2.gz QEGXZGIYEYKKNS-CQSZACIVSA-N 1 0 362.430 2.431 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415632951 559256724 /nfs/dbraw/zinc/25/67/24/559256724.db2.gz PNXMILSMQJZHHU-JKSUJKDBSA-N 1 0 366.393 2.484 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000415667138 559259871 /nfs/dbraw/zinc/25/98/71/559259871.db2.gz XNQQWCMKOXPPFG-UHFFFAOYSA-N 1 0 370.409 2.219 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415838044 559277034 /nfs/dbraw/zinc/27/70/34/559277034.db2.gz LDWPOLXTYZDMNH-MRXNPFEDSA-N 1 0 370.409 2.220 20 5 FEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000415970221 559285830 /nfs/dbraw/zinc/28/58/30/559285830.db2.gz ZAYJVASJXOHHAI-AWEZNQCLSA-N 1 0 355.398 2.170 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000416552739 559321426 /nfs/dbraw/zinc/32/14/26/559321426.db2.gz HYWUPNNXQGCNBF-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000416557504 559321646 /nfs/dbraw/zinc/32/16/46/559321646.db2.gz GYKKLKJMPDPPPB-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417176976 559351524 /nfs/dbraw/zinc/35/15/24/559351524.db2.gz KHJYFCWUSWKSID-HNNXBMFYSA-N 1 0 350.419 2.310 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000417711035 559373668 /nfs/dbraw/zinc/37/36/68/559373668.db2.gz CVNVACPDQLNHBR-HUUCEWRRSA-N 1 0 363.462 2.474 20 5 FEBDRO CC[C@H](NC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860720 559379778 /nfs/dbraw/zinc/37/97/78/559379778.db2.gz YZFATGXJFHZBQC-OAGGEKHMSA-N 1 0 350.419 2.194 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418086007 559389803 /nfs/dbraw/zinc/38/98/03/559389803.db2.gz XHHSKBTXNWBSAH-CQSZACIVSA-N 1 0 372.429 2.145 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000418480948 559403332 /nfs/dbraw/zinc/40/33/32/559403332.db2.gz DAQADISBEXOISX-ZDUSSCGKSA-N 1 0 372.429 2.358 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418611911 559407797 /nfs/dbraw/zinc/40/77/97/559407797.db2.gz IBPBAGHNJPMJKT-MRXNPFEDSA-N 1 0 362.430 2.277 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419991723 559468088 /nfs/dbraw/zinc/46/80/88/559468088.db2.gz HCVQVULTFJFLKX-AWEZNQCLSA-N 1 0 363.336 2.046 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420318425 559480147 /nfs/dbraw/zinc/48/01/47/559480147.db2.gz OAQCIXJENQGJLR-QYJAPNMZSA-N 1 0 352.822 2.402 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420344557 559482012 /nfs/dbraw/zinc/48/20/12/559482012.db2.gz UDDLQAJGCWJZFW-HNNXBMFYSA-N 1 0 362.430 2.006 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420395780 559485197 /nfs/dbraw/zinc/48/51/97/559485197.db2.gz CEVXTISDIJGRRX-TZMCWYRMSA-N 1 0 370.409 2.320 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420449218 559487872 /nfs/dbraw/zinc/48/78/72/559487872.db2.gz NJMOWILSTHSAFW-SNVBAGLBSA-N 1 0 367.349 2.034 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420478630 559489659 /nfs/dbraw/zinc/48/96/59/559489659.db2.gz XKVICNCJOWBVBV-WPRPVWTQSA-N 1 0 367.349 2.032 20 5 FEBDRO COc1ccccc1[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+](C)C ZINC000420579822 559492679 /nfs/dbraw/zinc/49/26/79/559492679.db2.gz FSJCEHFYOAQFKP-OAHLLOKOSA-N 1 0 358.398 2.417 20 5 FEBDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925186 559511584 /nfs/dbraw/zinc/51/15/84/559511584.db2.gz LDESIADTFBJDSY-UONOGXRCSA-N 1 0 365.430 2.199 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000420968931 559515157 /nfs/dbraw/zinc/51/51/57/559515157.db2.gz AUKBHFIBXNURBG-UHFFFAOYSA-N 1 0 363.439 2.048 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420989642 559518077 /nfs/dbraw/zinc/51/80/77/559518077.db2.gz CNNXMTHNXHQPHD-AWEZNQCLSA-N 1 0 361.398 2.272 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421006722 559518936 /nfs/dbraw/zinc/51/89/36/559518936.db2.gz BPIWESHZQZHISL-ZIAGYGMSSA-N 1 0 365.430 2.415 20 5 FEBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421348694 559539774 /nfs/dbraw/zinc/53/97/74/559539774.db2.gz GROMPAWWXDGNFM-CKEIUWERSA-N 1 0 371.441 2.299 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421403818 559541338 /nfs/dbraw/zinc/54/13/38/559541338.db2.gz YASGPXAHZTWLFH-BPUTZDHNSA-N 1 0 356.430 2.287 20 5 FEBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000423576397 559632861 /nfs/dbraw/zinc/63/28/61/559632861.db2.gz RBXRQKHQSBFAEV-SNVBAGLBSA-N 1 0 357.360 2.299 20 5 FEBDRO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423821829 559640902 /nfs/dbraw/zinc/64/09/02/559640902.db2.gz FEEMBGWESLBWAT-DYVFJYSZSA-N 1 0 357.414 2.291 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423938581 559647114 /nfs/dbraw/zinc/64/71/14/559647114.db2.gz JKPYMUGVNSQNQX-KRWDZBQOSA-N 1 0 371.393 2.374 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000424012758 559650944 /nfs/dbraw/zinc/65/09/44/559650944.db2.gz POAGNPZIRQPSDC-JKSUJKDBSA-N 1 0 359.357 2.309 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000424056099 559652896 /nfs/dbraw/zinc/65/28/96/559652896.db2.gz BOYIKHQCABCPMQ-WZRBSPASSA-N 1 0 351.403 2.057 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](c4nnc[nH]4)C3)o2)c1 ZINC000425542365 559708691 /nfs/dbraw/zinc/70/86/91/559708691.db2.gz HHXNUKXLKDPJPY-ZDUSSCGKSA-N 1 0 354.370 2.400 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000425686856 559714904 /nfs/dbraw/zinc/71/49/04/559714904.db2.gz WTOWMNJFZFLWMI-UHFFFAOYSA-N 1 0 354.382 2.308 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000428967304 559786776 /nfs/dbraw/zinc/78/67/76/559786776.db2.gz MMZVFZGRSMLZQN-GFCCVEGCSA-N 1 0 352.435 2.379 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429319192 559795815 /nfs/dbraw/zinc/79/58/15/559795815.db2.gz TWZSNIJXMWIWAW-CYBMUJFWSA-N 1 0 369.377 2.355 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430694128 559826556 /nfs/dbraw/zinc/82/65/56/559826556.db2.gz JEACGHIBJIGLBR-INIZCTEOSA-N 1 0 357.414 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431014622 559832207 /nfs/dbraw/zinc/83/22/07/559832207.db2.gz OJSCFMRATOLZQS-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433293705 559875943 /nfs/dbraw/zinc/87/59/43/559875943.db2.gz HDDOCLWQMASEFK-GOSISDBHSA-N 1 0 357.410 2.250 20 5 FEBDRO Cn1ccnc1CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425462 559922592 /nfs/dbraw/zinc/92/25/92/559922592.db2.gz CZIQVXJYIVOCNZ-QGZVFWFLSA-N 1 0 355.442 2.473 20 5 FEBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000435748512 559929399 /nfs/dbraw/zinc/92/93/99/559929399.db2.gz ORJJLLOJIFIHJH-UHFFFAOYSA-N 1 0 367.402 2.144 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204893 560026292 /nfs/dbraw/zinc/02/62/92/560026292.db2.gz UMVXPCMTPPGLKV-CVEARBPZSA-N 1 0 359.426 2.232 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109468 560044280 /nfs/dbraw/zinc/04/42/80/560044280.db2.gz IOOCZSWKMQCUGI-MGPQQGTHSA-N 1 0 355.460 2.240 20 5 FEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799692 560121196 /nfs/dbraw/zinc/12/11/96/560121196.db2.gz IHLZCTLFQUCWAD-AEFFLSMTSA-N 1 0 368.430 2.138 20 5 FEBDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589601 560165024 /nfs/dbraw/zinc/16/50/24/560165024.db2.gz YMENMVBREDUYDI-HUUCEWRRSA-N 1 0 362.434 2.369 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000448259691 560182108 /nfs/dbraw/zinc/18/21/08/560182108.db2.gz GGGNCHWQTOKDSW-HNNXBMFYSA-N 1 0 374.445 2.391 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448925308 560207141 /nfs/dbraw/zinc/20/71/41/560207141.db2.gz NKSVHOZBHIYGCG-NSHDSACASA-N 1 0 351.378 2.489 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448958666 560208834 /nfs/dbraw/zinc/20/88/34/560208834.db2.gz ZPFDMFPLEWRHEO-HNNXBMFYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000449060447 560214692 /nfs/dbraw/zinc/21/46/92/560214692.db2.gz FYDWVYIXBWOSQU-CQSZACIVSA-N 1 0 374.441 2.370 20 5 FEBDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000449577856 560233951 /nfs/dbraw/zinc/23/39/51/560233951.db2.gz HGRWAHOZGBOENU-AWEZNQCLSA-N 1 0 357.410 2.440 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000449703857 560237399 /nfs/dbraw/zinc/23/73/99/560237399.db2.gz GUQUCIHPEGUZOT-INIZCTEOSA-N 1 0 370.409 2.447 20 5 FEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449757696 560239137 /nfs/dbraw/zinc/23/91/37/560239137.db2.gz YCOHDVKTPQQRAG-GFCCVEGCSA-N 1 0 356.220 2.157 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931149 560245721 /nfs/dbraw/zinc/24/57/21/560245721.db2.gz NWWPSJHCIVUFDP-UKRRQHHQSA-N 1 0 357.414 2.193 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450317377 560258474 /nfs/dbraw/zinc/25/84/74/560258474.db2.gz KFUXGYLGYJQRPK-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000451106934 560287567 /nfs/dbraw/zinc/28/75/67/560287567.db2.gz QIHWTYWMEUHWEC-GUYCJALGSA-N 1 0 355.394 2.365 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)n2)cc1 ZINC000451302254 560299077 /nfs/dbraw/zinc/29/90/77/560299077.db2.gz KDCQGLVUXZLNTC-NUEKZKHPSA-N 1 0 374.397 2.007 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409269 560305213 /nfs/dbraw/zinc/30/52/13/560305213.db2.gz AESAEOUJQDVBCI-NUJGCVRESA-N 1 0 359.426 2.109 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500577 560310623 /nfs/dbraw/zinc/31/06/23/560310623.db2.gz OKVROCVJWRTZBR-GJZGRUSLSA-N 1 0 351.403 2.335 20 5 FEBDRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548034 560313929 /nfs/dbraw/zinc/31/39/29/560313929.db2.gz MBEZKCYMTPXPKW-AWEZNQCLSA-N 1 0 360.414 2.105 20 5 FEBDRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549632 560314185 /nfs/dbraw/zinc/31/41/85/560314185.db2.gz PTJLHMAHDHFRHT-ZVZYQTTQSA-N 1 0 352.431 2.187 20 5 FEBDRO COC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC(C)(C)O1 ZINC000451572628 560315446 /nfs/dbraw/zinc/31/54/46/560315446.db2.gz SFPPUVYUQZZCRF-CQSZACIVSA-N 1 0 374.397 2.047 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598126 560316717 /nfs/dbraw/zinc/31/67/17/560316717.db2.gz NZBFHCYWRSPRFH-RDTXWAMCSA-N 1 0 367.446 2.421 20 5 FEBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451601262 560316941 /nfs/dbraw/zinc/31/69/41/560316941.db2.gz ULJPJDWUKWWMGU-IRXDYDNUSA-N 1 0 372.487 2.247 20 5 FEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451648685 560319306 /nfs/dbraw/zinc/31/93/06/560319306.db2.gz GCERYJQSRCLJLE-LBPRGKRZSA-N 1 0 361.489 2.445 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909571 560336515 /nfs/dbraw/zinc/33/65/15/560336515.db2.gz XHWPNSMCNJXZIS-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000454200339 560434229 /nfs/dbraw/zinc/43/42/29/560434229.db2.gz OFHFOHYNFAHTKP-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454448140 560444915 /nfs/dbraw/zinc/44/49/15/560444915.db2.gz WIUDTHIGSPOCLF-INIZCTEOSA-N 1 0 364.446 2.062 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455103083 560470160 /nfs/dbraw/zinc/47/01/60/560470160.db2.gz QOAHHAKEHHPFHK-MRXNPFEDSA-N 1 0 357.414 2.373 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456055700 560505677 /nfs/dbraw/zinc/50/56/77/560505677.db2.gz TVXGZIKUWWYWMO-ZFWWWQNUSA-N 1 0 369.425 2.424 20 5 FEBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000456704345 560529792 /nfs/dbraw/zinc/52/97/92/560529792.db2.gz XVZBCNFPSXLCDY-UHFFFAOYSA-N 1 0 351.451 2.150 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000456907546 560537178 /nfs/dbraw/zinc/53/71/78/560537178.db2.gz VWSYJEQKRZREGG-UHFFFAOYSA-N 1 0 362.474 2.060 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457036724 560545155 /nfs/dbraw/zinc/54/51/55/560545155.db2.gz AJSAJAGFOJUDCT-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1cc(C(=O)NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000457199633 560555573 /nfs/dbraw/zinc/55/55/73/560555573.db2.gz KWZPGFMFPREHQO-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000458221344 560609719 /nfs/dbraw/zinc/60/97/19/560609719.db2.gz ZMYUBENYBGQISP-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458728036 560644165 /nfs/dbraw/zinc/64/41/65/560644165.db2.gz QJELZWLFSRVBTH-GJZGRUSLSA-N 1 0 364.446 2.456 20 5 FEBDRO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656447 560700487 /nfs/dbraw/zinc/70/04/87/560700487.db2.gz DXGJWKZQNVZBEO-BBWFWOEESA-N 1 0 357.410 2.201 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750866 560706246 /nfs/dbraw/zinc/70/62/46/560706246.db2.gz HSGUCAKBYGOPTQ-CVEARBPZSA-N 1 0 363.414 2.479 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459817475 560710690 /nfs/dbraw/zinc/71/06/90/560710690.db2.gz XHYNUOLLMHUKLO-LLVKDONJSA-N 1 0 351.403 2.103 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000461465391 560772625 /nfs/dbraw/zinc/77/26/25/560772625.db2.gz FJPIGCZDFUPGLB-HNNXBMFYSA-N 1 0 357.414 2.350 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000462414281 560809153 /nfs/dbraw/zinc/80/91/53/560809153.db2.gz ZXLMZFUXCAANCU-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464858491 560853609 /nfs/dbraw/zinc/85/36/09/560853609.db2.gz WWJBHZTULRILPL-CZUORRHYSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984004 560877636 /nfs/dbraw/zinc/87/76/36/560877636.db2.gz RVISQRFZJPNVPE-GJZGRUSLSA-N 1 0 363.462 2.487 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000467207640 560906406 /nfs/dbraw/zinc/90/64/06/560906406.db2.gz PLELQRDHASGRLC-LBPRGKRZSA-N 1 0 371.397 2.308 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000467405776 560909646 /nfs/dbraw/zinc/90/96/46/560909646.db2.gz HHGIPDCAMYHHKI-GFCCVEGCSA-N 1 0 359.473 2.214 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716786 560915635 /nfs/dbraw/zinc/91/56/35/560915635.db2.gz VGJAFSZZJZWXEX-YVEFUNNKSA-N 1 0 369.425 2.208 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000470063885 560973170 /nfs/dbraw/zinc/97/31/70/560973170.db2.gz AQEBAJFWKMJMNL-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470126670 560974776 /nfs/dbraw/zinc/97/47/76/560974776.db2.gz SJZVJCQTJWCTST-UHFFFAOYSA-N 1 0 354.382 2.044 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470147566 560975385 /nfs/dbraw/zinc/97/53/85/560975385.db2.gz PVJDFYWCTTWWHP-RYUDHWBXSA-N 1 0 354.382 2.355 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470151121 560975608 /nfs/dbraw/zinc/97/56/08/560975608.db2.gz ZMMMDXXGPFBRKG-ZDUSSCGKSA-N 1 0 367.425 2.129 20 5 FEBDRO Cc1nn(CCC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000470302312 560978236 /nfs/dbraw/zinc/97/82/36/560978236.db2.gz LBWKNYVCQVNKMY-UHFFFAOYSA-N 1 0 351.451 2.036 20 5 FEBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470821318 560990611 /nfs/dbraw/zinc/99/06/11/560990611.db2.gz MSWOQWKQQFMLRM-HOTGVXAUSA-N 1 0 359.405 2.429 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000472601580 561030696 /nfs/dbraw/zinc/03/06/96/561030696.db2.gz NGZRXILCBTZREZ-AWEZNQCLSA-N 1 0 368.409 2.155 20 5 FEBDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603153 561030727 /nfs/dbraw/zinc/03/07/27/561030727.db2.gz CDFYDYWQOPTZEY-JKSUJKDBSA-N 1 0 357.414 2.424 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472637209 561031584 /nfs/dbraw/zinc/03/15/84/561031584.db2.gz LPAAKYNEOBLJIF-AWEZNQCLSA-N 1 0 366.393 2.005 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000474310553 561070851 /nfs/dbraw/zinc/07/08/51/561070851.db2.gz KUFFZVBNENKWQG-HZMBPMFUSA-N 1 0 350.325 2.077 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000474317942 561071229 /nfs/dbraw/zinc/07/12/29/561071229.db2.gz XTIIZJDWFJGZGB-NHYWBVRUSA-N 1 0 350.325 2.077 20 5 FEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476156879 561112175 /nfs/dbraw/zinc/11/21/75/561112175.db2.gz QPBXBSDXLXABLF-ZDUSSCGKSA-N 1 0 357.414 2.284 20 5 FEBDRO Nc1nc(-n2cccn2)cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000477136262 561137580 /nfs/dbraw/zinc/13/75/80/561137580.db2.gz KRGXPDXDZGFDDB-UHFFFAOYSA-N 1 0 359.777 2.461 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000533309672 562504779 /nfs/dbraw/zinc/50/47/79/562504779.db2.gz VAFIFZSWMLAAOI-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)c([N+](=O)[O-])c1 ZINC000533381351 562507109 /nfs/dbraw/zinc/50/71/09/562507109.db2.gz OLRFZELTIMAOFK-UHFFFAOYSA-N 1 0 355.394 2.489 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533449893 562509361 /nfs/dbraw/zinc/50/93/61/562509361.db2.gz MYIWASVVBOZMIX-CYBMUJFWSA-N 1 0 363.414 2.421 20 5 FEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000534257391 562528808 /nfs/dbraw/zinc/52/88/08/562528808.db2.gz PYMWQDYCTFHQIU-CQSZACIVSA-N 1 0 372.425 2.403 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536880496 562581728 /nfs/dbraw/zinc/58/17/28/562581728.db2.gz BOVYKOZJYFQMKK-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 ZINC000537264736 562589001 /nfs/dbraw/zinc/58/90/01/562589001.db2.gz RIUUPKHLALIWLE-UHFFFAOYSA-N 1 0 355.394 2.357 20 5 FEBDRO CCOC(=O)C[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541332674 562609554 /nfs/dbraw/zinc/60/95/54/562609554.db2.gz SLLWCOORZHARFZ-LBPRGKRZSA-N 1 0 365.386 2.166 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000541909767 562623133 /nfs/dbraw/zinc/62/31/33/562623133.db2.gz VQDROJLPLALRBH-UHFFFAOYSA-N 1 0 350.419 2.101 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000569614887 568410144 /nfs/dbraw/zinc/41/01/44/568410144.db2.gz UDZVSJYTEFTQJW-CQSZACIVSA-N 1 0 351.403 2.150 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000570501122 568488805 /nfs/dbraw/zinc/48/88/05/568488805.db2.gz JQDJPYLMUZQGCM-IAGOWNOFSA-N 1 0 362.430 2.023 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370379 598469161 /nfs/dbraw/zinc/46/91/61/598469161.db2.gz PGMLXTXPWDSNDY-AWEZNQCLSA-N 1 0 357.418 2.230 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[N@@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000557674999 674460478 /nfs/dbraw/zinc/46/04/78/674460478.db2.gz DNVAOWHUEXSFFP-UHFFFAOYSA-N 1 0 350.419 2.619 20 5 FEBDRO C[C@@H]1CC[C@@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000557727241 674462779 /nfs/dbraw/zinc/46/27/79/674462779.db2.gz GXQCWCUHHUDHIH-OCCSQVGLSA-N 1 0 370.475 2.035 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000809968517 674522678 /nfs/dbraw/zinc/52/26/78/674522678.db2.gz DDMRAAXQDXHWQY-KRWDZBQOSA-N 1 0 352.410 2.335 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)C2CC2)c1 ZINC000809977499 674523127 /nfs/dbraw/zinc/52/31/27/674523127.db2.gz YIVSGGGFYKQDOJ-GFCCVEGCSA-N 1 0 362.167 2.060 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000886 606224489 /nfs/dbraw/zinc/22/44/89/606224489.db2.gz KXJSUPHBZCBIBA-JSGCOSHPSA-N 1 0 357.418 2.228 20 5 FEBDRO C[NH+](C)CCc1ccc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821587186 606709983 /nfs/dbraw/zinc/70/99/83/606709983.db2.gz KRSFXRUXNVEIPK-UHFFFAOYSA-N 1 0 354.374 2.018 20 5 FEBDRO CC(C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000820723290 607168538 /nfs/dbraw/zinc/16/85/38/607168538.db2.gz ZGWBCUMQTMTNLT-CQSZACIVSA-N 1 0 374.449 2.338 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569617 608563578 /nfs/dbraw/zinc/56/35/78/608563578.db2.gz JFYBPDPAANCEMF-ZBEGNZNMSA-N 1 0 354.370 2.159 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430997 674744504 /nfs/dbraw/zinc/74/45/04/674744504.db2.gz YXHKXLRBUOMMDD-WDEREUQCSA-N 1 0 374.224 2.495 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccccc3Cl)CC2)c1 ZINC000562991753 674832001 /nfs/dbraw/zinc/83/20/01/674832001.db2.gz RDEPMRNVVKRAJU-ZDUSSCGKSA-N 1 0 350.806 2.127 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033491 674903953 /nfs/dbraw/zinc/90/39/53/674903953.db2.gz JDLSGNUXXGOXOI-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000815248742 674933483 /nfs/dbraw/zinc/93/34/83/674933483.db2.gz CEIKMIPEAVJUIQ-MRXNPFEDSA-N 1 0 353.394 2.449 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1 ZINC000815288551 674938191 /nfs/dbraw/zinc/93/81/91/674938191.db2.gz ZOLLDISEZHSHON-ZWKOTPCHSA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1nc(C)c(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000563952700 674957755 /nfs/dbraw/zinc/95/77/55/674957755.db2.gz QJBAQATVJIWFOZ-UHFFFAOYSA-N 1 0 369.468 2.274 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000564353312 674999649 /nfs/dbraw/zinc/99/96/49/674999649.db2.gz ACPCRNHGBYLASD-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3Cl)C[C@@H]2C1 ZINC001048814538 675015462 /nfs/dbraw/zinc/01/54/62/675015462.db2.gz QOPIEDPCPOINNV-FAXLKDOZSA-N 1 0 367.808 2.035 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)[C@H](NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000569512242 670571678 /nfs/dbraw/zinc/57/16/78/670571678.db2.gz DZSOLHIJCKPLCH-MRXNPFEDSA-N 1 0 361.423 2.409 20 5 FEBDRO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565427558 675120914 /nfs/dbraw/zinc/12/09/14/675120914.db2.gz QLNFNFUMVHGQIO-FZMZJTMJSA-N 1 0 362.373 2.444 20 5 FEBDRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000115436921 670897515 /nfs/dbraw/zinc/89/75/15/670897515.db2.gz HQPFCGCWPHBFJA-LBPRGKRZSA-N 1 0 350.375 2.225 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000565922589 675161210 /nfs/dbraw/zinc/16/12/10/675161210.db2.gz MAXDQCFRJXXJHI-HNNXBMFYSA-N 1 0 350.419 2.390 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000573742930 671159321 /nfs/dbraw/zinc/15/93/21/671159321.db2.gz AQGRYZIVEGSTAS-HONMWMINSA-N 1 0 355.460 2.206 20 5 FEBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000573943490 671184683 /nfs/dbraw/zinc/18/46/83/671184683.db2.gz GEFSMFGFWOBFSJ-LLVKDONJSA-N 1 0 370.247 2.452 20 5 FEBDRO CC[C@](C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573965647 671187037 /nfs/dbraw/zinc/18/70/37/671187037.db2.gz YZZHVZKKAWISNY-GFCCVEGCSA-N 1 0 364.183 2.450 20 5 FEBDRO [NH3+]C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000574383632 671233332 /nfs/dbraw/zinc/23/33/32/671233332.db2.gz AAMYBKDWCUMEET-INIZCTEOSA-N 1 0 350.419 2.180 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC1CC[NH2+]CC1 ZINC000576015140 671338030 /nfs/dbraw/zinc/33/80/30/671338030.db2.gz OIEHLWWXUSYQQU-UHFFFAOYSA-N 1 0 360.336 2.412 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000576585278 671379424 /nfs/dbraw/zinc/37/94/24/671379424.db2.gz ZJICCYIUEJKLEA-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000609353345 675920055 /nfs/dbraw/zinc/92/00/55/675920055.db2.gz XVMBOETVHGYBIP-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000578063971 671637708 /nfs/dbraw/zinc/63/77/08/671637708.db2.gz LGLMZLMBGREBQR-LSDHHAIUSA-N 1 0 369.487 2.079 20 5 FEBDRO CCC[N@H+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000578348961 671658768 /nfs/dbraw/zinc/65/87/68/671658768.db2.gz ZFLOALZOKPYGMR-ZDUSSCGKSA-N 1 0 364.837 2.537 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000580638732 671822557 /nfs/dbraw/zinc/82/25/57/671822557.db2.gz AMSFAJQLJLJUDW-LBPRGKRZSA-N 1 0 361.345 2.308 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ccccc2)cc1 ZINC000580856458 671840644 /nfs/dbraw/zinc/84/06/44/671840644.db2.gz MRRPAJOJHRLENR-UHFFFAOYSA-N 1 0 350.396 2.037 20 5 FEBDRO CCOc1cc(C(=O)N(C)CCCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000610111785 675954566 /nfs/dbraw/zinc/95/45/66/675954566.db2.gz DYLUVBRVESZGHY-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000119866476 671911022 /nfs/dbraw/zinc/91/10/22/671911022.db2.gz VUXNTPFEVHUMJF-LBPRGKRZSA-N 1 0 359.473 2.153 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000120217808 671919774 /nfs/dbraw/zinc/91/97/74/671919774.db2.gz FMKFZWUITGYJMT-UHFFFAOYSA-N 1 0 361.489 2.399 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000610135257 675956199 /nfs/dbraw/zinc/95/61/99/675956199.db2.gz NXGHOGJUBHNIIG-OLZOCXBDSA-N 1 0 371.459 2.097 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000583173232 672070237 /nfs/dbraw/zinc/07/02/37/672070237.db2.gz YAMBGVSBXZMOHH-GFCCVEGCSA-N 1 0 362.167 2.060 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000132353038 672097208 /nfs/dbraw/zinc/09/72/08/672097208.db2.gz QKJXQRGTRITICP-LBPRGKRZSA-N 1 0 373.450 2.443 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610576956 675982545 /nfs/dbraw/zinc/98/25/45/675982545.db2.gz LJZTVCHNSQFHOX-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000610577020 675982573 /nfs/dbraw/zinc/98/25/73/675982573.db2.gz WCEJKMXCUSANRG-CQSZACIVSA-N 1 0 355.460 2.310 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000584113054 672157171 /nfs/dbraw/zinc/15/71/71/672157171.db2.gz YDILODGUMNFZCR-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000610719345 675991562 /nfs/dbraw/zinc/99/15/62/675991562.db2.gz GQEJCKIBXJRAPU-AWEZNQCLSA-N 1 0 350.419 2.277 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000587971918 672442944 /nfs/dbraw/zinc/44/29/44/672442944.db2.gz ICQDJAIRMXRNMU-CYBMUJFWSA-N 1 0 351.403 2.213 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000590444958 672583327 /nfs/dbraw/zinc/58/33/27/672583327.db2.gz OLQDDGVOEWUURK-ZANVPECISA-N 1 0 354.204 2.133 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590849 672593753 /nfs/dbraw/zinc/59/37/53/672593753.db2.gz FQJWMJJWRFFLFX-ZDUSSCGKSA-N 1 0 373.450 2.441 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591279339 672664589 /nfs/dbraw/zinc/66/45/89/672664589.db2.gz FACVGQPUBVQWTP-SKDRFNHKSA-N 1 0 356.329 2.412 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000591297627 672666832 /nfs/dbraw/zinc/66/68/32/672666832.db2.gz NJDCWGIMEXLERK-PELKAZGASA-N 1 0 362.308 2.194 20 5 FEBDRO CN(CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000591347882 672674455 /nfs/dbraw/zinc/67/44/55/672674455.db2.gz LWNHJVLFUJVIMK-MRXNPFEDSA-N 1 0 355.460 2.233 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000591749833 672708103 /nfs/dbraw/zinc/70/81/03/672708103.db2.gz ULZILEYKQAIPOC-UHTWSYAYSA-N 1 0 350.341 2.111 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000592040402 672740433 /nfs/dbraw/zinc/74/04/33/672740433.db2.gz GKTOVOWTJYWILI-UHFFFAOYSA-N 1 0 367.471 2.406 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193907681 672740718 /nfs/dbraw/zinc/74/07/18/672740718.db2.gz NLLBXLKLPNNAFG-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000194352537 672757537 /nfs/dbraw/zinc/75/75/37/672757537.db2.gz XFEATFLCJANGOL-LBPRGKRZSA-N 1 0 359.423 2.134 20 5 FEBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000592378753 672794482 /nfs/dbraw/zinc/79/44/82/672794482.db2.gz BFZXRSYMFWKQHL-UHFFFAOYSA-N 1 0 367.349 2.116 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592390108 672796174 /nfs/dbraw/zinc/79/61/74/672796174.db2.gz AWHRAUCNBFQFQH-NWDGAFQWSA-N 1 0 359.473 2.057 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592390617 672796850 /nfs/dbraw/zinc/79/68/50/672796850.db2.gz MBCBICUTIKHZKO-GJZGRUSLSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000237745450 672811582 /nfs/dbraw/zinc/81/15/82/672811582.db2.gz WYFRSQRAYLBEIJ-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO CSc1cccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000592898586 672852411 /nfs/dbraw/zinc/85/24/11/672852411.db2.gz IPFQLMQPFBNCNA-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270211993 672947745 /nfs/dbraw/zinc/94/77/45/672947745.db2.gz LKTUTAJROAWPEM-INIZCTEOSA-N 1 0 367.471 2.088 20 5 FEBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000593616821 672959056 /nfs/dbraw/zinc/95/90/56/672959056.db2.gz QSTNZGXNJBVUDJ-UHFFFAOYSA-N 1 0 357.476 2.035 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000593729932 672983947 /nfs/dbraw/zinc/98/39/47/672983947.db2.gz KALJINDSBRTCCV-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593911580 673007442 /nfs/dbraw/zinc/00/74/42/673007442.db2.gz GYMYVGAPUJHMEJ-GHJWDPDVSA-N 1 0 351.378 2.092 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000612630525 676091050 /nfs/dbraw/zinc/09/10/50/676091050.db2.gz KQASIJSWFJFPPG-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594483233 673087305 /nfs/dbraw/zinc/08/73/05/673087305.db2.gz DKKNWRFFNVFAHC-CVEARBPZSA-N 1 0 353.444 2.031 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594484374 673088432 /nfs/dbraw/zinc/08/84/32/673088432.db2.gz QJUOVQVGWIICJW-KGLIPLIRSA-N 1 0 357.407 2.029 20 5 FEBDRO [NH3+]C[C@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594524396 673095087 /nfs/dbraw/zinc/09/50/87/673095087.db2.gz JHAYTPLZIQWGAB-YPMHNXCESA-N 1 0 360.336 2.373 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(C)cc1[N+](=O)[O-] ZINC000595104508 673193372 /nfs/dbraw/zinc/19/33/72/673193372.db2.gz GPYURSRXGYCQNJ-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595117934 673196638 /nfs/dbraw/zinc/19/66/38/673196638.db2.gz GYEGVFSSWVXBSY-CZUORRHYSA-N 1 0 355.460 2.264 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595121355 673197595 /nfs/dbraw/zinc/19/75/95/673197595.db2.gz YKZMNONHMGNOIF-SNVBAGLBSA-N 1 0 359.835 2.201 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033534 673203230 /nfs/dbraw/zinc/20/32/30/673203230.db2.gz YCSPVVZGRVYNGK-ZBEGNZNMSA-N 1 0 353.806 2.370 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033533 673203290 /nfs/dbraw/zinc/20/32/90/673203290.db2.gz YCSPVVZGRVYNGK-MEDUHNTESA-N 1 0 353.806 2.370 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424029043 673203342 /nfs/dbraw/zinc/20/33/42/673203342.db2.gz OSLPYEXEDLOXDJ-HNNXBMFYSA-N 1 0 368.231 2.254 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000728606460 673205495 /nfs/dbraw/zinc/20/54/95/673205495.db2.gz ODULUUYZRYTBCY-CYBMUJFWSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000595480790 673256305 /nfs/dbraw/zinc/25/63/05/673256305.db2.gz ACUUWIOBKAULEV-KBPBESRZSA-N 1 0 363.336 2.379 20 5 FEBDRO COc1cc(C[NH2+][C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595618316 673274243 /nfs/dbraw/zinc/27/42/43/673274243.db2.gz XDQRTMGHAAJNQR-LBPRGKRZSA-N 1 0 360.357 2.498 20 5 FEBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCOCC1 ZINC000595876312 673333430 /nfs/dbraw/zinc/33/34/30/673333430.db2.gz BSLLRQFUYOBDCA-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C[NH3+])C(F)(F)F ZINC000595907235 673337266 /nfs/dbraw/zinc/33/72/66/673337266.db2.gz HRGFDYGATRRCPF-JTQLQIEISA-N 1 0 354.716 2.008 20 5 FEBDRO [NH3+]CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596016663 673348701 /nfs/dbraw/zinc/34/87/01/673348701.db2.gz SUGTZPNFLQVQBS-ZDUSSCGKSA-N 1 0 352.410 2.278 20 5 FEBDRO C[N@H+](CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000596070448 673355820 /nfs/dbraw/zinc/35/58/20/673355820.db2.gz CTUPXZRXXWYECY-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596179824 673365694 /nfs/dbraw/zinc/36/56/94/673365694.db2.gz UFIBDBSZDGECOS-AWEZNQCLSA-N 1 0 350.419 2.229 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596841986 673418913 /nfs/dbraw/zinc/41/89/13/673418913.db2.gz LGTOCGCRZBQIHD-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO CCOC(=O)c1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000538095875 673421543 /nfs/dbraw/zinc/42/15/43/673421543.db2.gz GRYJJRSDBKPQJJ-LSDHHAIUSA-N 1 0 353.444 2.253 20 5 FEBDRO CS[C@@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000597101432 673448075 /nfs/dbraw/zinc/44/80/75/673448075.db2.gz QMPRYGIXMWTKMY-VXGBXAGGSA-N 1 0 373.866 2.340 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)C2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597191776 673455654 /nfs/dbraw/zinc/45/56/54/673455654.db2.gz GYXURAKNSQADOV-SNVBAGLBSA-N 1 0 360.357 2.498 20 5 FEBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1csc([N+](=O)[O-])c1 ZINC000597991786 673527464 /nfs/dbraw/zinc/52/74/64/673527464.db2.gz RDYHDONWSWBMDP-OAHLLOKOSA-N 1 0 361.423 2.153 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598260377 673553312 /nfs/dbraw/zinc/55/33/12/673553312.db2.gz BKFWUNMBXFIAMY-ZDUSSCGKSA-N 1 0 351.451 2.035 20 5 FEBDRO Nc1c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598559857 673583454 /nfs/dbraw/zinc/58/34/54/673583454.db2.gz IVBRZBXBKAONQK-GFCCVEGCSA-N 1 0 350.394 2.168 20 5 FEBDRO COC(=O)c1ccnc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000598597121 673587529 /nfs/dbraw/zinc/58/75/29/673587529.db2.gz VWGHUMFPAJDUBM-UHFFFAOYSA-N 1 0 350.419 2.845 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598669982 673596832 /nfs/dbraw/zinc/59/68/32/673596832.db2.gz PDKXFIADSUISJL-XMZIXOGTSA-N 1 0 353.806 2.355 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000598713945 673602345 /nfs/dbraw/zinc/60/23/45/673602345.db2.gz FGECZIKYHWVVPV-CYBMUJFWSA-N 1 0 367.471 2.364 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716537 673602855 /nfs/dbraw/zinc/60/28/55/673602855.db2.gz LXGMYLNFDABYMR-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072598 673631346 /nfs/dbraw/zinc/63/13/46/673631346.db2.gz KEUMPOSVASZSPY-DAXOMENPSA-N 1 0 355.460 2.414 20 5 FEBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599103273 673633487 /nfs/dbraw/zinc/63/34/87/673633487.db2.gz IDIFHXYJUHTZFX-PSASIEDQSA-N 1 0 367.349 2.032 20 5 FEBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106544 673633772 /nfs/dbraw/zinc/63/37/72/673633772.db2.gz VEVPHYPNOWWLEN-RKDXNWHRSA-N 1 0 367.349 2.032 20 5 FEBDRO NS(=O)(=O)c1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000599127998 673635254 /nfs/dbraw/zinc/63/52/54/673635254.db2.gz UAQIEGQDYRQUKC-CQSZACIVSA-N 1 0 368.459 2.061 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543644506 673658582 /nfs/dbraw/zinc/65/85/82/673658582.db2.gz LIUHWPSLPDQHOT-CYBMUJFWSA-N 1 0 354.382 2.212 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000543677043 673660961 /nfs/dbraw/zinc/66/09/61/673660961.db2.gz WXJBZYFYOVDDHG-JSGCOSHPSA-N 1 0 355.460 2.315 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000599389855 673668021 /nfs/dbraw/zinc/66/80/21/673668021.db2.gz DJWJWEKXEWOBFX-QGZVFWFLSA-N 1 0 367.471 2.421 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414186 673672369 /nfs/dbraw/zinc/67/23/69/673672369.db2.gz ABAITKIFSVYMGN-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599415217 673672802 /nfs/dbraw/zinc/67/28/02/673672802.db2.gz LKGCFYKIWFYLOL-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO CC1(C)CCC[C@](CO)([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599594759 673695306 /nfs/dbraw/zinc/69/53/06/673695306.db2.gz IVNUMIIIZWTZCH-QAPCUYQASA-N 1 0 352.431 2.255 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720664 673695502 /nfs/dbraw/zinc/69/55/02/673695502.db2.gz ISUCSCUCRIMOPU-JOYOIKCWSA-N 1 0 350.375 2.332 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599787481 673717335 /nfs/dbraw/zinc/71/73/35/673717335.db2.gz UXJVNFNZGAPLFX-CYBMUJFWSA-N 1 0 350.419 2.080 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000544622907 673721542 /nfs/dbraw/zinc/72/15/42/673721542.db2.gz ZDPDQVQRUOUAON-FNORWQNLSA-N 1 0 367.471 2.259 20 5 FEBDRO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000743871452 673774458 /nfs/dbraw/zinc/77/44/58/673774458.db2.gz FWLXLDAIIGIHLL-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)cc1 ZINC000546089125 673791564 /nfs/dbraw/zinc/79/15/64/673791564.db2.gz RSDNEHNPDIMFJZ-CQSZACIVSA-N 1 0 363.805 2.258 20 5 FEBDRO COC(=O)c1c(Cl)c(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601184051 673831652 /nfs/dbraw/zinc/83/16/52/673831652.db2.gz GCQQWSHPGRYVMC-WDEREUQCSA-N 1 0 353.806 2.423 20 5 FEBDRO CCC1([NH+](C)C)CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000601229480 673834529 /nfs/dbraw/zinc/83/45/29/673834529.db2.gz QXYQHQUOSPQYRZ-UHFFFAOYSA-N 1 0 350.419 2.395 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])s1 ZINC000601342499 673845367 /nfs/dbraw/zinc/84/53/67/673845367.db2.gz DIKRQOIZSBMNHB-ZDUSSCGKSA-N 1 0 373.500 2.365 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601347355 673846254 /nfs/dbraw/zinc/84/62/54/673846254.db2.gz IYCNXGPNKRFZNQ-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355911 673847208 /nfs/dbraw/zinc/84/72/08/673847208.db2.gz BAJAHIOBTPIOPN-WCQYABFASA-N 1 0 359.423 2.003 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601358756 673847734 /nfs/dbraw/zinc/84/77/34/673847734.db2.gz OGBFEVMSGJRPER-GFCCVEGCSA-N 1 0 361.489 2.317 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372044 673850050 /nfs/dbraw/zinc/85/00/50/673850050.db2.gz QMEMYIPOGBKCOP-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000601375401 673851197 /nfs/dbraw/zinc/85/11/97/673851197.db2.gz WECYSAPKMUHFNW-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601387267 673853403 /nfs/dbraw/zinc/85/34/03/673853403.db2.gz RQFNNJOTMSONGY-GFCCVEGCSA-N 1 0 373.450 2.393 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000746048323 673861801 /nfs/dbraw/zinc/86/18/01/673861801.db2.gz FJQCZUVZZDZRJM-AWEZNQCLSA-N 1 0 363.439 2.365 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000602169836 673902909 /nfs/dbraw/zinc/90/29/09/673902909.db2.gz HWLHFIUBCGGXNG-HUUCEWRRSA-N 1 0 351.403 2.071 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000602527855 673907327 /nfs/dbraw/zinc/90/73/27/673907327.db2.gz HNUQNDFWTLSWLO-XPTSAGLGSA-N 1 0 354.204 2.311 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000602527853 673907423 /nfs/dbraw/zinc/90/74/23/673907423.db2.gz HNUQNDFWTLSWLO-LKFCYVNXSA-N 1 0 354.204 2.311 20 5 FEBDRO C[NH2+]CCOCCN(C)C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602545042 673907890 /nfs/dbraw/zinc/90/78/90/673907890.db2.gz LRWSMLTXLBMAPS-UHFFFAOYSA-N 1 0 361.851 2.035 20 5 FEBDRO Cn1cnc(CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000602701419 673910044 /nfs/dbraw/zinc/91/00/44/673910044.db2.gz RQNAGPOYFKMCCS-UHFFFAOYSA-N 1 0 360.237 2.270 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602888707 673912661 /nfs/dbraw/zinc/91/26/61/673912661.db2.gz AYYODEXRFVCCHW-IAGOWNOFSA-N 1 0 350.415 2.403 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818589588 675226417 /nfs/dbraw/zinc/22/64/17/675226417.db2.gz DLRQHXQQDDPXLV-YLGCSUCGSA-N 1 0 350.375 2.236 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000566801516 675243958 /nfs/dbraw/zinc/24/39/58/675243958.db2.gz UIQNHFIPBGONAK-IUODEOHRSA-N 1 0 360.380 2.424 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000818943520 675244677 /nfs/dbraw/zinc/24/46/77/675244677.db2.gz BGOMVXZUHUGFHW-UHFFFAOYSA-N 1 0 369.784 2.327 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000818981891 675249333 /nfs/dbraw/zinc/24/93/33/675249333.db2.gz XXEVKQAMIMZBDY-KRWDZBQOSA-N 1 0 364.423 2.082 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000819197839 675268781 /nfs/dbraw/zinc/26/87/81/675268781.db2.gz MNKWYYQHSSHWOA-BHTHQVBYSA-N 1 0 370.496 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000819198477 675269169 /nfs/dbraw/zinc/26/91/69/675269169.db2.gz SAVQOPGNQAHWRI-DTZQCDIJSA-N 1 0 370.496 2.304 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000819207543 675269799 /nfs/dbraw/zinc/26/97/99/675269799.db2.gz MZRXQBSQFISEMX-OLZOCXBDSA-N 1 0 353.419 2.473 20 5 FEBDRO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000567252861 675278996 /nfs/dbraw/zinc/27/89/96/675278996.db2.gz RAQPAQXYNKRLJA-GFCCVEGCSA-N 1 0 350.419 2.082 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000567317465 675283509 /nfs/dbraw/zinc/28/35/09/675283509.db2.gz SYJXVGABXYLTDX-ZDUSSCGKSA-N 1 0 350.419 2.078 20 5 FEBDRO CCCN(C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000567669174 675310934 /nfs/dbraw/zinc/31/09/34/675310934.db2.gz WGAAZIRXQZSSIF-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+](CCCCO)CC1 ZINC000822755046 675504604 /nfs/dbraw/zinc/50/46/04/675504604.db2.gz CCGVYDJBVRQPJF-UHFFFAOYSA-N 1 0 372.263 2.247 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000823133838 675531350 /nfs/dbraw/zinc/53/13/50/675531350.db2.gz VYDWLJMVXNOACF-JTQLQIEISA-N 1 0 354.794 2.031 20 5 FEBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccs2)CC1 ZINC000823875652 675575302 /nfs/dbraw/zinc/57/53/02/675575302.db2.gz DSGVNSRENVSAHZ-MRXNPFEDSA-N 1 0 361.423 2.034 20 5 FEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825363804 675649000 /nfs/dbraw/zinc/64/90/00/675649000.db2.gz DTKDRYYNICMNOL-KRWDZBQOSA-N 1 0 351.447 2.455 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C ZINC000827573791 675765782 /nfs/dbraw/zinc/76/57/82/675765782.db2.gz OXCGPFMTMHUWTD-NEPJUHHUSA-N 1 0 352.410 2.355 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C ZINC000827573798 675766099 /nfs/dbraw/zinc/76/60/99/675766099.db2.gz OXCGPFMTMHUWTD-RYUDHWBXSA-N 1 0 352.410 2.355 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000603424495 675799115 /nfs/dbraw/zinc/79/91/15/675799115.db2.gz YOBBMENGLVANAE-AWEZNQCLSA-N 1 0 368.865 2.457 20 5 FEBDRO Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000603421790 675799156 /nfs/dbraw/zinc/79/91/56/675799156.db2.gz CLXGQSBHNWPJPS-CQSZACIVSA-N 1 0 354.476 2.173 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000603956032 675802253 /nfs/dbraw/zinc/80/22/53/675802253.db2.gz WNTGTVQCIPSGOR-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000604573588 675806387 /nfs/dbraw/zinc/80/63/87/675806387.db2.gz WMPLOWBEXLPETO-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000618460396 676340575 /nfs/dbraw/zinc/34/05/75/676340575.db2.gz GHRBULOXWQQMPA-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000618985519 676358799 /nfs/dbraw/zinc/35/87/99/676358799.db2.gz DWZDRPPCQUMFSW-MRXNPFEDSA-N 1 0 367.471 2.332 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000619487135 676380300 /nfs/dbraw/zinc/38/03/00/676380300.db2.gz DRZOKYPUWQYDNI-ZDUSSCGKSA-N 1 0 371.459 2.098 20 5 FEBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000619748018 676393040 /nfs/dbraw/zinc/39/30/40/676393040.db2.gz RDPIOGLYTXUWRR-UHFFFAOYSA-N 1 0 365.411 2.025 20 5 FEBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000830313894 677034116 /nfs/dbraw/zinc/03/41/16/677034116.db2.gz RLXOLKDMNQQXCO-UHFFFAOYSA-N 1 0 351.447 2.421 20 5 FEBDRO O=c1c2c(ncn1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC[NH2+]CC2 ZINC000830517781 677044590 /nfs/dbraw/zinc/04/45/90/677044590.db2.gz IKLYPFYIEAFBGE-UHFFFAOYSA-N 1 0 369.208 2.195 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000839799592 680779894 /nfs/dbraw/zinc/77/98/94/680779894.db2.gz QONOFVJAFIDZEZ-GFCCVEGCSA-N 1 0 350.375 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000765491605 680843902 /nfs/dbraw/zinc/84/39/02/680843902.db2.gz WBVVUGCSEZFVBI-HIFRSBDPSA-N 1 0 370.247 2.393 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765507141 680844475 /nfs/dbraw/zinc/84/44/75/680844475.db2.gz SBTVRNAUOMAQFV-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099372 680863368 /nfs/dbraw/zinc/86/33/68/680863368.db2.gz JAIFELFQBKFQSF-CQSZACIVSA-N 1 0 350.810 2.136 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000831724337 680032894 /nfs/dbraw/zinc/03/28/94/680032894.db2.gz VDDCZGYEEXOFJP-JRPNMDOOSA-N 1 0 352.822 2.211 20 5 FEBDRO CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140068 680101074 /nfs/dbraw/zinc/10/10/74/680101074.db2.gz WPHMRLLWLDXJJR-RTWAVKEYSA-N 1 0 367.833 2.141 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000832764078 680174188 /nfs/dbraw/zinc/17/41/88/680174188.db2.gz IFIIPABWVHJTEV-LBPRGKRZSA-N 1 0 359.423 2.146 20 5 FEBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCc1cccs1)C2 ZINC000982278412 680274359 /nfs/dbraw/zinc/27/43/59/680274359.db2.gz BLPSUKCSCAAENA-AHCXZYCDSA-N 1 0 363.483 2.126 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034645270 680436516 /nfs/dbraw/zinc/43/65/16/680436516.db2.gz QRUSWYHPAUXIPZ-KBUPBQIOSA-N 1 0 359.417 2.494 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836699344 680501582 /nfs/dbraw/zinc/50/15/82/680501582.db2.gz WTRZKZFDJWBTIZ-CYBMUJFWSA-N 1 0 368.865 2.312 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1Cl ZINC000836779372 680512997 /nfs/dbraw/zinc/51/29/97/680512997.db2.gz GFYREIKXOFGWDN-UHFFFAOYSA-N 1 0 369.849 2.475 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001005376913 680573228 /nfs/dbraw/zinc/57/32/28/680573228.db2.gz WWECAISOUJEFRV-HZPDHXFCSA-N 1 0 351.834 2.428 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000759109469 680627573 /nfs/dbraw/zinc/62/75/73/680627573.db2.gz XMKQQIZVUWQYGA-AAEUAGOBSA-N 1 0 373.450 2.441 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000841367001 680874950 /nfs/dbraw/zinc/87/49/50/680874950.db2.gz LSKMCZQIUUXJQL-UHFFFAOYSA-N 1 0 350.375 2.449 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000841455657 680883385 /nfs/dbraw/zinc/88/33/85/680883385.db2.gz XXMUCYYFEMQIFY-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000842702582 680960681 /nfs/dbraw/zinc/96/06/81/680960681.db2.gz NEZDSLFSLMUJFV-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO CC(C)[C@@H]([NH3+])c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000843151549 680990170 /nfs/dbraw/zinc/99/01/70/680990170.db2.gz NZXDXTDGOPTESQ-GFCCVEGCSA-N 1 0 351.388 2.025 20 5 FEBDRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387084 681000773 /nfs/dbraw/zinc/00/07/73/681000773.db2.gz OBWPRAWJQANLAY-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(F)F ZINC000843484610 681006337 /nfs/dbraw/zinc/00/63/37/681006337.db2.gz URFJNAVARQMDBJ-ZETCQYMHSA-N 1 0 370.125 2.209 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000843820318 681020256 /nfs/dbraw/zinc/02/02/56/681020256.db2.gz RIDWXHJVDHUVCT-CYBMUJFWSA-N 1 0 351.378 2.025 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771036683 681038202 /nfs/dbraw/zinc/03/82/02/681038202.db2.gz BJDXXIIGSRSLEN-GFCCVEGCSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1nsc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001050326377 681045203 /nfs/dbraw/zinc/04/52/03/681045203.db2.gz ZYJYRGAFZAYMDS-IXYNUQLISA-N 1 0 366.487 2.190 20 5 FEBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000771582254 681060716 /nfs/dbraw/zinc/06/07/16/681060716.db2.gz LKJWMYYEKWFDIA-CQSZACIVSA-N 1 0 351.378 2.025 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000846290341 681220731 /nfs/dbraw/zinc/22/07/31/681220731.db2.gz ADVDELUUIFYJKN-UHFFFAOYSA-N 1 0 351.432 2.307 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000775561799 681314640 /nfs/dbraw/zinc/31/46/40/681314640.db2.gz WEUQRSJLWBZMAQ-LBPRGKRZSA-N 1 0 355.822 2.317 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000775578144 681315723 /nfs/dbraw/zinc/31/57/23/681315723.db2.gz SLIOVVIDDCJTBN-PXAZEXFGSA-N 1 0 364.423 2.383 20 5 FEBDRO C[C@H](COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCCC1 ZINC000847960261 681456237 /nfs/dbraw/zinc/45/62/37/681456237.db2.gz ZWBIEQKYOMDYNJ-GFCCVEGCSA-N 1 0 350.371 2.397 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000934303012 681548379 /nfs/dbraw/zinc/54/83/79/681548379.db2.gz BJPCLYXWCFCBQG-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934337743 681554867 /nfs/dbraw/zinc/55/48/67/681554867.db2.gz USASEVHNFQOTJS-ZFWWWQNUSA-N 1 0 363.439 2.356 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848475176 681558007 /nfs/dbraw/zinc/55/80/07/681558007.db2.gz NZCBJIVRZVHDOJ-PHIMTYICSA-N 1 0 361.851 2.175 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000934385775 681562819 /nfs/dbraw/zinc/56/28/19/681562819.db2.gz OMILOVHYZJQJCU-CYBMUJFWSA-N 1 0 355.460 2.403 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1F ZINC000848508644 681566295 /nfs/dbraw/zinc/56/62/95/681566295.db2.gz OVRGPGRENOEJOH-UONOGXRCSA-N 1 0 371.434 2.338 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849420112 681726024 /nfs/dbraw/zinc/72/60/24/681726024.db2.gz RBWHUWFQJQPYMV-LLVKDONJSA-N 1 0 361.851 2.399 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000918351742 685538560 /nfs/dbraw/zinc/53/85/60/685538560.db2.gz NNNBOSSNAVYKKR-GJZGRUSLSA-N 1 0 373.862 2.211 20 5 FEBDRO CC(C)(C)OC(=O)NCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787288841 682447883 /nfs/dbraw/zinc/44/78/83/682447883.db2.gz NMCWJIUZCZBSTA-UHFFFAOYSA-N 1 0 353.423 2.343 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000853688266 682456519 /nfs/dbraw/zinc/45/65/19/682456519.db2.gz KSSVUXWUVNJSBE-UHFFFAOYSA-N 1 0 350.375 2.194 20 5 FEBDRO COc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000853918770 682488827 /nfs/dbraw/zinc/48/88/27/682488827.db2.gz OXOYPHOMZLCPQS-ZDUSSCGKSA-N 1 0 351.403 2.277 20 5 FEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000854568134 682565370 /nfs/dbraw/zinc/56/53/70/682565370.db2.gz IELGZWXQFZQPIJ-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000856254411 682758457 /nfs/dbraw/zinc/75/84/57/682758457.db2.gz BNAVEGGKDRMGKH-CYBMUJFWSA-N 1 0 367.833 2.228 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857085158 682852831 /nfs/dbraw/zinc/85/28/31/682852831.db2.gz ABUVVGYNBAIVGQ-UVWXRNBGSA-N 1 0 352.822 2.388 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000857233922 682867596 /nfs/dbraw/zinc/86/75/96/682867596.db2.gz ICJUNAOUWFNZJM-HZMBPMFUSA-N 1 0 359.835 2.059 20 5 FEBDRO O=C(N1CCC2(CC[NH2+]C2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765955 682910711 /nfs/dbraw/zinc/91/07/11/682910711.db2.gz VNKSJBHOPYTGSR-UHFFFAOYSA-N 1 0 355.341 2.169 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798297836 683332923 /nfs/dbraw/zinc/33/29/23/683332923.db2.gz SZZJVDIUJCJAIR-NXEZZACHSA-N 1 0 371.235 2.355 20 5 FEBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342956 683392573 /nfs/dbraw/zinc/39/25/73/683392573.db2.gz FQCPLQKAGJZDHP-DYVFJYSZSA-N 1 0 351.403 2.049 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000863498346 683735008 /nfs/dbraw/zinc/73/50/08/683735008.db2.gz HAPZSGDADIXNTJ-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000922573110 683747918 /nfs/dbraw/zinc/74/79/18/683747918.db2.gz QLBQAXKPIJBNPJ-UHFFFAOYSA-N 1 0 359.423 2.028 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930904968 683800046 /nfs/dbraw/zinc/80/00/46/683800046.db2.gz XIVOASHVJMKKCG-HNNXBMFYSA-N 1 0 372.263 2.246 20 5 FEBDRO C[NH+]1CCC(NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864598069 683871433 /nfs/dbraw/zinc/87/14/33/683871433.db2.gz WFCRVRBECREFAN-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865524702 683993225 /nfs/dbraw/zinc/99/32/25/683993225.db2.gz YNZSCKIVSIKBHU-HNNXBMFYSA-N 1 0 365.821 2.351 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865608178 684004354 /nfs/dbraw/zinc/00/43/54/684004354.db2.gz DHRDEXBFFZTEOL-GFCCVEGCSA-N 1 0 370.247 2.358 20 5 FEBDRO CCOc1cc(OS(=O)(=O)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000867183609 684222226 /nfs/dbraw/zinc/22/22/26/684222226.db2.gz IGJVJDJLPKHQGO-UHFFFAOYSA-N 1 0 358.416 2.188 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000867621535 684334662 /nfs/dbraw/zinc/33/46/62/684334662.db2.gz VCQNZQMLLLTAKP-UHFFFAOYSA-N 1 0 371.434 2.230 20 5 FEBDRO Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000923909595 684366266 /nfs/dbraw/zinc/36/62/66/684366266.db2.gz HEFGXXJXQBKPLI-ZBFHGGJFSA-N 1 0 364.471 2.282 20 5 FEBDRO COCCC1(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000868039449 684442718 /nfs/dbraw/zinc/44/27/18/684442718.db2.gz ZPNYVOTUXRUWHT-CYBMUJFWSA-N 1 0 367.471 2.350 20 5 FEBDRO CSC1(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000868440953 684494295 /nfs/dbraw/zinc/49/42/95/684494295.db2.gz PVOMUIBVUANMMX-UHFFFAOYSA-N 1 0 355.435 2.220 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000869767138 684653040 /nfs/dbraw/zinc/65/30/40/684653040.db2.gz CYPWCILHQPKWBU-UHFFFAOYSA-N 1 0 355.460 2.395 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778818 684654620 /nfs/dbraw/zinc/65/46/20/684654620.db2.gz KKOMEQGXCRJPGE-LBPRGKRZSA-N 1 0 367.471 2.282 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O ZINC000872023626 684915909 /nfs/dbraw/zinc/91/59/09/684915909.db2.gz UFJFVDQQTKAXAD-LLVKDONJSA-N 1 0 361.489 2.249 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)o1 ZINC000872319224 684936963 /nfs/dbraw/zinc/93/69/63/684936963.db2.gz BFCWGPXCZLUJQU-AOOOYVTPSA-N 1 0 350.762 2.376 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000872662240 684999674 /nfs/dbraw/zinc/99/96/74/684999674.db2.gz HAPVKSVRJBFFGF-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[NH2+]1 ZINC000877050249 686318415 /nfs/dbraw/zinc/31/84/15/686318415.db2.gz GWIRYFBJTXSGLK-CBAPKCEASA-N 1 0 360.183 2.367 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C(F)(F)F ZINC000877357970 686361584 /nfs/dbraw/zinc/36/15/84/686361584.db2.gz AKXCXYPXJDTRTJ-DTWKUNHWSA-N 1 0 351.712 2.457 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC000877362661 686364001 /nfs/dbraw/zinc/36/40/01/686364001.db2.gz GSQGAECEDDIQRA-GXSJLCMTSA-N 1 0 365.739 2.386 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877368702 686366447 /nfs/dbraw/zinc/36/64/47/686366447.db2.gz JDAWMHWTPQDFLS-CBAPKCEASA-N 1 0 351.712 2.457 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000877941143 686486538 /nfs/dbraw/zinc/48/65/38/686486538.db2.gz PZNJLFOZYCLRJZ-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO CO[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@](C)(CO)C1 ZINC000879262734 686782866 /nfs/dbraw/zinc/78/28/66/686782866.db2.gz YWPGMTJTDWBUQX-SMDDNHRTSA-N 1 0 359.220 2.329 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000879575051 686860915 /nfs/dbraw/zinc/86/09/15/686860915.db2.gz ILCZEUOIKSWDFM-ABAIWWIYSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583417 686863688 /nfs/dbraw/zinc/86/36/88/686863688.db2.gz YUUONQVVUHQOKW-WBMJQRKESA-N 1 0 350.394 2.089 20 5 FEBDRO Cc1c(Cl)ccc2c1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000879768949 686905941 /nfs/dbraw/zinc/90/59/41/686905941.db2.gz KOTGVXZCSHNVTN-AWEZNQCLSA-N 1 0 350.806 2.172 20 5 FEBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882431933 687366237 /nfs/dbraw/zinc/36/62/37/687366237.db2.gz KTCLVMBCMQOVTP-AAEUAGOBSA-N 1 0 361.489 2.397 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478653 687643487 /nfs/dbraw/zinc/64/34/87/687643487.db2.gz SOLBBIKELWHVRZ-UHFFFAOYSA-N 1 0 359.835 2.155 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884959217 687975585 /nfs/dbraw/zinc/97/55/85/687975585.db2.gz JVAJMSZUQBZDLY-KBPBESRZSA-N 1 0 353.444 2.062 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959454 687975968 /nfs/dbraw/zinc/97/59/68/687975968.db2.gz LOYQMUSWMYNXTR-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000886899485 688336073 /nfs/dbraw/zinc/33/60/73/688336073.db2.gz MGUAHAYPQYUODV-OAHLLOKOSA-N 1 0 373.862 2.403 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000886900822 688337027 /nfs/dbraw/zinc/33/70/27/688337027.db2.gz IUABZQSYPIGHJF-INIZCTEOSA-N 1 0 371.434 2.197 20 5 FEBDRO COc1cc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000889824412 688838237 /nfs/dbraw/zinc/83/82/37/688838237.db2.gz DNVZZQKQNRTDFN-UHFFFAOYSA-N 1 0 351.378 2.489 20 5 FEBDRO COc1cc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000890885230 688979384 /nfs/dbraw/zinc/97/93/84/688979384.db2.gz BOEQMSJQLRNMGL-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891757314 689102552 /nfs/dbraw/zinc/10/25/52/689102552.db2.gz HNQLAFLSGWRQLQ-ZBFHGGJFSA-N 1 0 352.822 2.375 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000892097793 689149295 /nfs/dbraw/zinc/14/92/95/689149295.db2.gz RJVIWCFLXAJSAU-CABZTGNLSA-N 1 0 371.235 2.297 20 5 FEBDRO C[C@H]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000892293904 689176294 /nfs/dbraw/zinc/17/62/94/689176294.db2.gz HBSGANQUCSBBOC-JOYOIKCWSA-N 1 0 371.235 2.297 20 5 FEBDRO CC(C)[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](O)C(F)(F)F ZINC000894683006 689577778 /nfs/dbraw/zinc/57/77/78/689577778.db2.gz IGLGYLVMDHIMAX-KBPBESRZSA-N 1 0 364.320 2.403 20 5 FEBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837397 690571859 /nfs/dbraw/zinc/57/18/59/690571859.db2.gz GICOIBBJOLIYRX-IAGOWNOFSA-N 1 0 365.455 2.016 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000905598709 691149134 /nfs/dbraw/zinc/14/91/34/691149134.db2.gz WTIDTBCHRFDWRX-CABCVRRESA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000905622706 691153064 /nfs/dbraw/zinc/15/30/64/691153064.db2.gz FPAIRBGRSHUMDB-GJZGRUSLSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000905622875 691153137 /nfs/dbraw/zinc/15/31/37/691153137.db2.gz FPAIRBGRSHUMDB-LSDHHAIUSA-N 1 0 350.415 2.416 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853091 691183067 /nfs/dbraw/zinc/18/30/67/691183067.db2.gz PBXLLIYFAATQDU-NOLJZWGESA-N 1 0 364.471 2.091 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000907067770 691386420 /nfs/dbraw/zinc/38/64/20/691386420.db2.gz JOYOPFGBUOQBJJ-HNNXBMFYSA-N 1 0 369.849 2.144 20 5 FEBDRO C[C@H](CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000907457476 691487992 /nfs/dbraw/zinc/48/79/92/691487992.db2.gz QGLOCITZTRNJAU-PBHICJAKSA-N 1 0 367.471 2.104 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908418618 691676405 /nfs/dbraw/zinc/67/64/05/691676405.db2.gz QKJYZQRKYHNAOZ-UONOGXRCSA-N 1 0 371.796 2.323 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc1Cl ZINC001164403291 718862194 /nfs/dbraw/zinc/86/21/94/718862194.db2.gz MCHJUMSGFMLQOO-MWLCHTKSSA-N 1 0 362.764 2.003 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814831 720099476 /nfs/dbraw/zinc/09/94/76/720099476.db2.gz WZSFYKJDROZJGN-KSSFIOAISA-N 1 0 364.421 2.314 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)n1 ZINC001164727818 720570818 /nfs/dbraw/zinc/57/08/18/720570818.db2.gz FRLNHIUKANNNQP-UHFFFAOYSA-N 1 0 370.457 2.462 20 5 FEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@H]2C ZINC001164858989 720975741 /nfs/dbraw/zinc/97/57/41/720975741.db2.gz JSWFZLZYYTYSCD-LBPRGKRZSA-N 1 0 359.434 2.190 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932682 721860747 /nfs/dbraw/zinc/86/07/47/721860747.db2.gz ZLEPRCGLUVIEIM-CVEARBPZSA-N 1 0 355.442 2.358 20 5 FEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000021868436 539687884 /nfs/dbraw/zinc/68/78/84/539687884.db2.gz XZPXSKNLTKDSJS-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO NC(=O)c1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000027578172 539811468 /nfs/dbraw/zinc/81/14/68/539811468.db2.gz UOZLWHMVILJHAN-UHFFFAOYSA-N 1 0 368.437 2.054 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000032732350 539949957 /nfs/dbraw/zinc/94/99/57/539949957.db2.gz USFVDQUIQVHMJL-STQMWFEESA-N 1 0 363.414 2.374 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032927050 539959616 /nfs/dbraw/zinc/95/96/16/539959616.db2.gz CTWISNSQDNROGM-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000042018590 540045268 /nfs/dbraw/zinc/04/52/68/540045268.db2.gz MULMRQJSWHROKX-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000046036523 540238546 /nfs/dbraw/zinc/23/85/46/540238546.db2.gz LJAQDDOLCCSSBW-LSDHHAIUSA-N 1 0 353.444 2.117 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000047923187 540334363 /nfs/dbraw/zinc/33/43/63/540334363.db2.gz LSOGMDYQVYJARX-AWEZNQCLSA-N 1 0 351.403 2.072 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000052753020 540487727 /nfs/dbraw/zinc/48/77/27/540487727.db2.gz AYIAOKDAUAHPRN-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000055245951 540639930 /nfs/dbraw/zinc/63/99/30/540639930.db2.gz UEPRSPNVYRLXAW-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000055538180 540657519 /nfs/dbraw/zinc/65/75/19/540657519.db2.gz GKYKOIVJKUYDGT-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NCC(F)(F)F ZINC000056195822 540710838 /nfs/dbraw/zinc/71/08/38/540710838.db2.gz GANMACOUKWVZEV-DTWKUNHWSA-N 1 0 362.308 2.022 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056385237 540722684 /nfs/dbraw/zinc/72/26/84/540722684.db2.gz QATYTLNOOIDZPG-ZNMIVQPWSA-N 1 0 364.446 2.454 20 5 FEBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000058737357 540854787 /nfs/dbraw/zinc/85/47/87/540854787.db2.gz BPZHLDUHWNFHNE-UHFFFAOYSA-N 1 0 370.365 2.317 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000065478382 541240631 /nfs/dbraw/zinc/24/06/31/541240631.db2.gz YJBHJCZKBABYIJ-HNNXBMFYSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1cc(OCC(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000066019595 541277782 /nfs/dbraw/zinc/27/77/82/541277782.db2.gz ADVVWEJQIJRUMG-UHFFFAOYSA-N 1 0 365.430 2.313 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000065844114 541266281 /nfs/dbraw/zinc/26/62/81/541266281.db2.gz OYCJGOBAYUYOTE-UHFFFAOYSA-N 1 0 371.441 2.143 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066284303 541297873 /nfs/dbraw/zinc/29/78/73/541297873.db2.gz QRLWPWWQGGRESO-UHFFFAOYSA-N 1 0 363.414 2.311 20 5 FEBDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000066568144 541338029 /nfs/dbraw/zinc/33/80/29/541338029.db2.gz CCOUQDNKVYTZJP-UHFFFAOYSA-N 1 0 374.485 2.361 20 5 FEBDRO CCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000066587012 541341306 /nfs/dbraw/zinc/34/13/06/541341306.db2.gz ZAFAKIAFHCZUQK-UHFFFAOYSA-N 1 0 369.468 2.287 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000068130480 541553485 /nfs/dbraw/zinc/55/34/85/541553485.db2.gz ZHJFKVCJAWKCGE-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068311235 541575188 /nfs/dbraw/zinc/57/51/88/541575188.db2.gz LNZYTHCADKOGKE-AWEZNQCLSA-N 1 0 363.393 2.442 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000068800864 541629811 /nfs/dbraw/zinc/62/98/11/541629811.db2.gz ZUHGANOWNXEUJJ-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000068902956 541639526 /nfs/dbraw/zinc/63/95/26/541639526.db2.gz NGGCQPQVDPSINJ-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069124931 541660327 /nfs/dbraw/zinc/66/03/27/541660327.db2.gz NMISMYUEVOGLSM-AWEZNQCLSA-N 1 0 353.444 2.234 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069149022 541663081 /nfs/dbraw/zinc/66/30/81/541663081.db2.gz NYIAWQZTMADINA-INIZCTEOSA-N 1 0 362.430 2.243 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069857318 541718386 /nfs/dbraw/zinc/71/83/86/541718386.db2.gz FEDWIOQBJVXXNR-QGZVFWFLSA-N 1 0 363.458 2.408 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000072758824 541860804 /nfs/dbraw/zinc/86/08/04/541860804.db2.gz GZFGANLUAVGEDP-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072823999 541873971 /nfs/dbraw/zinc/87/39/71/541873971.db2.gz FUQGVMCYMJDILK-OAHLLOKOSA-N 1 0 360.458 2.148 20 5 FEBDRO Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075747076 542202218 /nfs/dbraw/zinc/20/22/18/542202218.db2.gz NYDOZPVRLYTQER-IRXDYDNUSA-N 1 0 362.455 2.251 20 5 FEBDRO Cc1c(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000076331507 542261614 /nfs/dbraw/zinc/26/16/14/542261614.db2.gz CQZVETOJILLZOM-AWEZNQCLSA-N 1 0 350.419 2.262 20 5 FEBDRO O=C(c1ccncc1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076969325 542337596 /nfs/dbraw/zinc/33/75/96/542337596.db2.gz BDJNLLPCYCAEML-UHFFFAOYSA-N 1 0 354.410 2.380 20 5 FEBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081033229 542626637 /nfs/dbraw/zinc/62/66/37/542626637.db2.gz KTWVHAJCEVCIAY-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000085857437 542733461 /nfs/dbraw/zinc/73/34/61/542733461.db2.gz VJOJOIMOJLAFBV-QZTJIDSGSA-N 1 0 363.458 2.285 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000029555769 132378053 /nfs/dbraw/zinc/37/80/53/132378053.db2.gz PVJZMPTVZJCOIA-UHFFFAOYSA-N 1 0 355.398 2.141 20 5 FEBDRO Cc1cc(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)c(N)c([N+](=O)[O-])c1 ZINC000089433055 542763188 /nfs/dbraw/zinc/76/31/88/542763188.db2.gz TXNXVIVBGFTYKO-UHFFFAOYSA-N 1 0 372.429 2.420 20 5 FEBDRO CCOC(=O)c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603540 542766365 /nfs/dbraw/zinc/76/63/65/542766365.db2.gz JFLDXGCYQHNBFE-HNNXBMFYSA-N 1 0 363.414 2.437 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCC(CO)CC1 ZINC000089923754 542772884 /nfs/dbraw/zinc/77/28/84/542772884.db2.gz RKAZVBDPWZTSJL-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000089961120 542777712 /nfs/dbraw/zinc/77/77/12/542777712.db2.gz GFJJULFYIWMREW-IAGOWNOFSA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000094134872 542954270 /nfs/dbraw/zinc/95/42/70/542954270.db2.gz XEWUPDMIWRTOBO-ZDUSSCGKSA-N 1 0 362.474 2.133 20 5 FEBDRO Cn1cc(C[NH2+]CCSCCCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105643286 543178467 /nfs/dbraw/zinc/17/84/67/543178467.db2.gz YVZWGFCSKGWBRL-UHFFFAOYSA-N 1 0 350.444 2.201 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000107892138 543281000 /nfs/dbraw/zinc/28/10/00/543281000.db2.gz IDJHKJMRUOUHHP-CYBMUJFWSA-N 1 0 357.414 2.067 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000108340723 543286951 /nfs/dbraw/zinc/28/69/51/543286951.db2.gz JQCCICKKCSXBDQ-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000108403687 543288981 /nfs/dbraw/zinc/28/89/81/543288981.db2.gz YHVKLNNYEAADPK-NSHDSACASA-N 1 0 359.835 2.011 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755334 543336871 /nfs/dbraw/zinc/33/68/71/543336871.db2.gz DBHVAVLQPHGZDZ-GOSISDBHSA-N 1 0 362.474 2.076 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275126 543391635 /nfs/dbraw/zinc/39/16/35/543391635.db2.gz VIWQKCSLKQQOKZ-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111293085 543393672 /nfs/dbraw/zinc/39/36/72/543393672.db2.gz GPJJIJVYLBTISM-INIZCTEOSA-N 1 0 360.414 2.010 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000111348577 543398001 /nfs/dbraw/zinc/39/80/01/543398001.db2.gz IDNNYAYCIXOEBP-CQSZACIVSA-N 1 0 363.439 2.394 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000111348516 543398197 /nfs/dbraw/zinc/39/81/97/543398197.db2.gz CZQNKPHIPJMCDM-AWEZNQCLSA-N 1 0 363.439 2.394 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112310528 543441196 /nfs/dbraw/zinc/44/11/96/543441196.db2.gz TVSBJEPLOLTROV-UHFFFAOYSA-N 1 0 359.430 2.457 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000112465103 543448163 /nfs/dbraw/zinc/44/81/63/543448163.db2.gz CPEYMCHJPSICGI-UHFFFAOYSA-N 1 0 363.462 2.158 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000112620157 543454074 /nfs/dbraw/zinc/45/40/74/543454074.db2.gz IMXDSWAMDMKACH-ZDUSSCGKSA-N 1 0 363.414 2.360 20 5 FEBDRO Cc1sc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000112921512 543468786 /nfs/dbraw/zinc/46/87/86/543468786.db2.gz GLVRJJFGGNQMRR-UHFFFAOYSA-N 1 0 354.476 2.063 20 5 FEBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986739 543470749 /nfs/dbraw/zinc/47/07/49/543470749.db2.gz XAKVXQOKICOYKE-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113198864 543476847 /nfs/dbraw/zinc/47/68/47/543476847.db2.gz WINARWXCJPFDOL-OAHLLOKOSA-N 1 0 363.414 2.167 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114378674 543511942 /nfs/dbraw/zinc/51/19/42/543511942.db2.gz OZKAAGYHPNWXHM-JXMROGBWSA-N 1 0 360.458 2.142 20 5 FEBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(CCO)CC2)c(Cl)c1 ZINC000114450821 543516494 /nfs/dbraw/zinc/51/64/94/543516494.db2.gz LTRMARKHJRBDEU-UHFFFAOYSA-N 1 0 356.854 2.050 20 5 FEBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115442033 543567634 /nfs/dbraw/zinc/56/76/34/543567634.db2.gz CFVFEHJHDWZEKO-LBPRGKRZSA-N 1 0 351.403 2.026 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC000116922399 543619947 /nfs/dbraw/zinc/61/99/47/543619947.db2.gz YABVVYGRTHJQDN-RMKNXTFCSA-N 1 0 361.423 2.176 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000124132835 543802742 /nfs/dbraw/zinc/80/27/42/543802742.db2.gz UFFSQNXRGOGJPM-UHFFFAOYSA-N 1 0 356.386 2.015 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126470755 543937967 /nfs/dbraw/zinc/93/79/67/543937967.db2.gz JKNNZQJAXOIELF-PBHICJAKSA-N 1 0 358.442 2.482 20 5 FEBDRO Cc1c(CC(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000128776777 544072300 /nfs/dbraw/zinc/07/23/00/544072300.db2.gz IIGARWPYUJGLJG-HUUCEWRRSA-N 1 0 363.458 2.451 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000130641294 544158979 /nfs/dbraw/zinc/15/89/79/544158979.db2.gz INVRBEHLYQWUNK-KGLIPLIRSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1Cl ZINC000131678521 544201153 /nfs/dbraw/zinc/20/11/53/544201153.db2.gz VRYXYAHNQXCINN-CYBMUJFWSA-N 1 0 355.822 2.215 20 5 FEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000131964078 544213578 /nfs/dbraw/zinc/21/35/78/544213578.db2.gz VRDHAHBGKBJOTD-NSHDSACASA-N 1 0 371.426 2.232 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000133530187 544273801 /nfs/dbraw/zinc/27/38/01/544273801.db2.gz NTNCFUKNXWPROW-NSHDSACASA-N 1 0 359.423 2.195 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136031348 544365113 /nfs/dbraw/zinc/36/51/13/544365113.db2.gz OFEOIFYGYHJDSG-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137585507 544391746 /nfs/dbraw/zinc/39/17/46/544391746.db2.gz WGEQHYCEXGHMBN-CYBMUJFWSA-N 1 0 367.471 2.405 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000136996052 544382221 /nfs/dbraw/zinc/38/22/21/544382221.db2.gz MULYMRUAFIBWJO-HNNXBMFYSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150968904 544492299 /nfs/dbraw/zinc/49/22/99/544492299.db2.gz CZXKBRMWOCJWBU-TZMCWYRMSA-N 1 0 362.386 2.368 20 5 FEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C2CC2)c1 ZINC000153272532 544754589 /nfs/dbraw/zinc/75/45/89/544754589.db2.gz PDWUADNYYCOCRT-MSOLQXFVSA-N 1 0 350.415 2.116 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000153641704 544801253 /nfs/dbraw/zinc/80/12/53/544801253.db2.gz LPHJGWATBQWPBC-STQMWFEESA-N 1 0 371.441 2.279 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153942642 544842864 /nfs/dbraw/zinc/84/28/64/544842864.db2.gz YIETZHSOWMXRTK-KDOFPFPSSA-N 1 0 359.426 2.449 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553058987 674235893 /nfs/dbraw/zinc/23/58/93/674235893.db2.gz XTQBDQKMXLBBQL-LLVKDONJSA-N 1 0 351.432 2.104 20 5 FEBDRO Cc1ccc(F)cc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000180142337 327673121 /nfs/dbraw/zinc/67/31/21/327673121.db2.gz KFGZKWFPQGKUCJ-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000182164562 327763796 /nfs/dbraw/zinc/76/37/96/327763796.db2.gz TUBKGKCKIUIHIZ-UHFFFAOYSA-N 1 0 365.430 2.173 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000184320639 327861912 /nfs/dbraw/zinc/86/19/12/327861912.db2.gz QKAHODKEMXEJGJ-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1ccccc1C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000185866769 327936406 /nfs/dbraw/zinc/93/64/06/327936406.db2.gz HKBBHFKVXJRWKB-IAGOWNOFSA-N 1 0 362.430 2.018 20 5 FEBDRO CSc1cccc(C(=O)NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000188162305 328070087 /nfs/dbraw/zinc/07/00/87/328070087.db2.gz QOKGFDGTRMCVGP-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000188643550 328100882 /nfs/dbraw/zinc/10/08/82/328100882.db2.gz YBTUTLDSDLGKAW-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000189164906 328132644 /nfs/dbraw/zinc/13/26/44/328132644.db2.gz PUQNQBFNODAONP-ZDUSSCGKSA-N 1 0 364.423 2.212 20 5 FEBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189252697 328137467 /nfs/dbraw/zinc/13/74/67/328137467.db2.gz OULRFNLGOQVZNP-NSHDSACASA-N 1 0 353.350 2.090 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000189396281 328145320 /nfs/dbraw/zinc/14/53/20/328145320.db2.gz OHTRIJZENXLNNM-HNNXBMFYSA-N 1 0 374.441 2.319 20 5 FEBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000189477020 328150731 /nfs/dbraw/zinc/15/07/31/328150731.db2.gz BVQQSENJXVGTNK-GFCCVEGCSA-N 1 0 355.410 2.020 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190031753 328183830 /nfs/dbraw/zinc/18/38/30/328183830.db2.gz ORMFCTZDUXILEP-CYBMUJFWSA-N 1 0 350.419 2.212 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000190159255 328191713 /nfs/dbraw/zinc/19/17/13/328191713.db2.gz PAMFCUVFYHTYRF-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)n1 ZINC000191714619 328278552 /nfs/dbraw/zinc/27/85/52/328278552.db2.gz BCXCMCBBHWIGEG-UHFFFAOYSA-N 1 0 372.429 2.205 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191966912 328290692 /nfs/dbraw/zinc/29/06/92/328290692.db2.gz WKRFAIOCPIGHAX-FCEWJHQRSA-N 1 0 358.394 2.454 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCCC1 ZINC000192568903 328326321 /nfs/dbraw/zinc/32/63/21/328326321.db2.gz NOKJJCOGJAPICD-UHFFFAOYSA-N 1 0 355.398 2.297 20 5 FEBDRO CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192700785 328334142 /nfs/dbraw/zinc/33/41/42/328334142.db2.gz YZHYIRANCYGCAL-LBPRGKRZSA-N 1 0 351.403 2.491 20 5 FEBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135921 328359297 /nfs/dbraw/zinc/35/92/97/328359297.db2.gz IFQJQQKXEUCPNR-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000193285845 328367152 /nfs/dbraw/zinc/36/71/52/328367152.db2.gz DOPDWQZBYUGHAU-MNOVXSKESA-N 1 0 361.851 2.305 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000193300075 328367504 /nfs/dbraw/zinc/36/75/04/328367504.db2.gz UPUJPYXTKGHWOJ-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193433670 328375055 /nfs/dbraw/zinc/37/50/55/328375055.db2.gz RFLKLTCSRSUZIG-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193419587 328374333 /nfs/dbraw/zinc/37/43/33/328374333.db2.gz ITPGANZOWNMAFW-KRWDZBQOSA-N 1 0 367.409 2.459 20 5 FEBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193569492 328382590 /nfs/dbraw/zinc/38/25/90/328382590.db2.gz ASDGXOIRCKWWFL-OAHLLOKOSA-N 1 0 362.430 2.470 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000194040543 328408288 /nfs/dbraw/zinc/40/82/88/328408288.db2.gz BYDZHMCYWPCURS-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281379 328417955 /nfs/dbraw/zinc/41/79/55/328417955.db2.gz XYVFPXIEROCDGS-JLSDUUJJSA-N 1 0 358.442 2.164 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000194378631 328421649 /nfs/dbraw/zinc/42/16/49/328421649.db2.gz CKXXLGKUTMNNCO-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236715133 328492594 /nfs/dbraw/zinc/49/25/94/328492594.db2.gz YEBALNZGKKBPGG-INIZCTEOSA-N 1 0 359.430 2.429 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000077804764 325017140 /nfs/dbraw/zinc/01/71/40/325017140.db2.gz DDYVUPGKEJUVTJ-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000078256188 325038198 /nfs/dbraw/zinc/03/81/98/325038198.db2.gz BQXVZXRJCLRJFO-UHFFFAOYSA-N 1 0 368.437 2.394 20 5 FEBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237302344 328511592 /nfs/dbraw/zinc/51/15/92/328511592.db2.gz MGCZCLKACGRRRX-NSHDSACASA-N 1 0 374.363 2.118 20 5 FEBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C[NH+](C)C ZINC000081732035 325194353 /nfs/dbraw/zinc/19/43/53/325194353.db2.gz YANQRAHNDLHOAI-ZDUSSCGKSA-N 1 0 359.430 2.487 20 5 FEBDRO C[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085364565 325251647 /nfs/dbraw/zinc/25/16/47/325251647.db2.gz CEPOLHHYEFAVAT-ZDUSSCGKSA-N 1 0 351.451 2.282 20 5 FEBDRO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551501 325362883 /nfs/dbraw/zinc/36/28/83/325362883.db2.gz QMWWXTLJJBJKNE-ZJWNCGCPSA-N 1 0 363.439 2.187 20 5 FEBDRO CCC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796193 325368106 /nfs/dbraw/zinc/36/81/06/325368106.db2.gz WHSGQMKZEFQUPS-BBRMVZONSA-N 1 0 355.460 2.307 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)c1 ZINC000092048118 325401224 /nfs/dbraw/zinc/40/12/24/325401224.db2.gz UKVPCPPHLYMSNZ-UHFFFAOYSA-N 1 0 364.409 2.498 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)CC1 ZINC000094123282 325453299 /nfs/dbraw/zinc/45/32/99/325453299.db2.gz YCSQSGNGMLTETB-QGZVFWFLSA-N 1 0 374.485 2.372 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000104519916 325539848 /nfs/dbraw/zinc/53/98/48/325539848.db2.gz WOPFEJNRQZIPLR-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000238120752 328541689 /nfs/dbraw/zinc/54/16/89/328541689.db2.gz GEXVUQDBQCOSEZ-UHFFFAOYSA-N 1 0 372.429 2.218 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107601428 325630927 /nfs/dbraw/zinc/63/09/27/325630927.db2.gz CGOUMRMJTKWQHX-CYBMUJFWSA-N 1 0 351.378 2.200 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000107628299 325631553 /nfs/dbraw/zinc/63/15/53/325631553.db2.gz JZCPBZQQDPPDPZ-ZDUSSCGKSA-N 1 0 350.394 2.407 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919256 325813323 /nfs/dbraw/zinc/81/33/23/325813323.db2.gz CQAWISQXLAMRLP-UHFFFAOYSA-N 1 0 362.386 2.451 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116372089 326010033 /nfs/dbraw/zinc/01/00/33/326010033.db2.gz XONDRYFNNUABRS-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO Cc1nn(CCC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652634 326028486 /nfs/dbraw/zinc/02/84/86/326028486.db2.gz QXIJPPAOSKYCJS-AWEZNQCLSA-N 1 0 365.478 2.427 20 5 FEBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000119125373 326129260 /nfs/dbraw/zinc/12/92/60/326129260.db2.gz OJYAQANLZXGYFB-UHFFFAOYSA-N 1 0 370.413 2.102 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000119867242 326207118 /nfs/dbraw/zinc/20/71/18/326207118.db2.gz HVAWZRLUIDUQMW-LJQANCHMSA-N 1 0 369.421 2.052 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000119901277 326210720 /nfs/dbraw/zinc/21/07/20/326210720.db2.gz PZVULDHPCQJSKA-RDTXWAMCSA-N 1 0 359.426 2.449 20 5 FEBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CN1CCOCC1 ZINC000120340753 326250798 /nfs/dbraw/zinc/25/07/98/326250798.db2.gz YQDMFWYXZYVVFB-OAHLLOKOSA-N 1 0 373.457 2.053 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000120599147 326271863 /nfs/dbraw/zinc/27/18/63/326271863.db2.gz SDFIDAQBWKXHQV-OAHLLOKOSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000120724498 326282556 /nfs/dbraw/zinc/28/25/56/326282556.db2.gz ZYZUKISSEVZGQE-GHMZBOCLSA-N 1 0 368.821 2.128 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121055678 326310033 /nfs/dbraw/zinc/31/00/33/326310033.db2.gz AJBXVDKDKQFQNF-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1C ZINC000121382892 326334749 /nfs/dbraw/zinc/33/47/49/326334749.db2.gz PHILKHPACSLICW-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000122007861 326380442 /nfs/dbraw/zinc/38/04/42/326380442.db2.gz MGUDDVCFMHHTHE-UHFFFAOYSA-N 1 0 361.373 2.491 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000122236841 326389280 /nfs/dbraw/zinc/38/92/80/326389280.db2.gz FGDPGZYKTURBDA-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122443357 326397071 /nfs/dbraw/zinc/39/70/71/326397071.db2.gz INNSLAKYICPIRK-ZBFHGGJFSA-N 1 0 367.471 2.316 20 5 FEBDRO [NH3+]C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCCCC1 ZINC000122474581 326398210 /nfs/dbraw/zinc/39/82/10/326398210.db2.gz ARNNFVNKCOTDEQ-UHFFFAOYSA-N 1 0 358.398 2.218 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc2sccn21 ZINC000132980845 326601167 /nfs/dbraw/zinc/60/11/67/326601167.db2.gz GFDCDHNBZPWZPX-QWHCGFSZSA-N 1 0 365.459 2.484 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160151211 326955356 /nfs/dbraw/zinc/95/53/56/326955356.db2.gz KPDHPPDFGHXZMB-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000160532601 326968580 /nfs/dbraw/zinc/96/85/80/326968580.db2.gz SLAVBVGKFBECSR-ROUUACIJSA-N 1 0 361.442 2.401 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000160551778 326969274 /nfs/dbraw/zinc/96/92/74/326969274.db2.gz JNLPEEZAZDSJRA-UHFFFAOYSA-N 1 0 357.414 2.244 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000160707657 326974442 /nfs/dbraw/zinc/97/44/42/326974442.db2.gz FBBJIEFKMLZJRG-IAGOWNOFSA-N 1 0 365.405 2.232 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162069395 327016135 /nfs/dbraw/zinc/01/61/35/327016135.db2.gz PONGRLFZNZNVOI-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162242385 327020726 /nfs/dbraw/zinc/02/07/26/327020726.db2.gz JOSJZHRQLVJQLL-CALCHBBNSA-N 1 0 374.485 2.154 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000162549073 327028458 /nfs/dbraw/zinc/02/84/58/327028458.db2.gz IOWCPKPPFWOBMM-KRWDZBQOSA-N 1 0 363.462 2.297 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000162549222 327028521 /nfs/dbraw/zinc/02/85/21/327028521.db2.gz IOWCPKPPFWOBMM-QGZVFWFLSA-N 1 0 363.462 2.297 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000171125909 327119665 /nfs/dbraw/zinc/11/96/65/327119665.db2.gz FTMSXTRSDWKHRT-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000171136728 327120301 /nfs/dbraw/zinc/12/03/01/327120301.db2.gz CMBGURLGKMVQEX-AWEZNQCLSA-N 1 0 362.474 2.258 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171607940 327147846 /nfs/dbraw/zinc/14/78/46/327147846.db2.gz RKPICCXIRCPTBN-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618632 327148758 /nfs/dbraw/zinc/14/87/58/327148758.db2.gz JQCPUZQSBLMEQT-CQSZACIVSA-N 1 0 357.414 2.391 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000171647721 327151487 /nfs/dbraw/zinc/15/14/87/327151487.db2.gz FKMBTJXQXSNUGN-UHFFFAOYSA-N 1 0 357.370 2.353 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173072118 327233913 /nfs/dbraw/zinc/23/39/13/327233913.db2.gz YGRYFVIOFHHJEX-GOSISDBHSA-N 1 0 363.458 2.391 20 5 FEBDRO C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000173518313 327263487 /nfs/dbraw/zinc/26/34/87/327263487.db2.gz MEIBTFZFTLIQNN-INIZCTEOSA-N 1 0 371.441 2.304 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH+](CC)CC)C2)c([N+](=O)[O-])c1 ZINC000173845279 327288572 /nfs/dbraw/zinc/28/85/72/327288572.db2.gz PJUSKYNUXSOVEL-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867806 327290151 /nfs/dbraw/zinc/29/01/51/327290151.db2.gz XVADLXCXFVYDEN-CYBMUJFWSA-N 1 0 371.434 2.277 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173917942 327294401 /nfs/dbraw/zinc/29/44/01/327294401.db2.gz ROGDEJDXPSYHPQ-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000174009529 327301287 /nfs/dbraw/zinc/30/12/87/327301287.db2.gz UNPJMLBLDLDQIZ-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000174108461 327306614 /nfs/dbraw/zinc/30/66/14/327306614.db2.gz HPLOGNFXJREQDW-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174175255 327310728 /nfs/dbraw/zinc/31/07/28/327310728.db2.gz BOHOKPAOXTUIDA-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000175085252 327373166 /nfs/dbraw/zinc/37/31/66/327373166.db2.gz KDNBGZJVMLSQKK-UHFFFAOYSA-N 1 0 352.866 2.462 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000175272154 327383626 /nfs/dbraw/zinc/38/36/26/327383626.db2.gz JJJUPJPBRLOUFI-UKRRQHHQSA-N 1 0 370.409 2.478 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175394263 327390451 /nfs/dbraw/zinc/39/04/51/327390451.db2.gz PYYFOHJSOHFOLZ-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000175507545 327396580 /nfs/dbraw/zinc/39/65/80/327396580.db2.gz HIUPGULONSUNRO-UHFFFAOYSA-N 1 0 363.462 2.150 20 5 FEBDRO C[C@@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248548912 328724800 /nfs/dbraw/zinc/72/48/00/328724800.db2.gz FTAFYWRLRYWXIQ-MGPQQGTHSA-N 1 0 367.421 2.453 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261732130 328815101 /nfs/dbraw/zinc/81/51/01/328815101.db2.gz MBCLDSYNPVGUHS-GOSISDBHSA-N 1 0 369.425 2.273 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261766814 328817892 /nfs/dbraw/zinc/81/78/92/328817892.db2.gz QIRIAMFOZMHVCV-MNOVXSKESA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000263841011 328967609 /nfs/dbraw/zinc/96/76/09/328967609.db2.gz WXXISAPVACTBNB-OAHLLOKOSA-N 1 0 361.402 2.036 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000264909444 329073411 /nfs/dbraw/zinc/07/34/11/329073411.db2.gz DYFPXNFRQUPRMZ-UKRRQHHQSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000265156592 329097357 /nfs/dbraw/zinc/09/73/57/329097357.db2.gz UWCKSHNFWPZALS-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000269146977 329490435 /nfs/dbraw/zinc/49/04/35/329490435.db2.gz KALRYQRVFOPRBG-QZTJIDSGSA-N 1 0 361.442 2.401 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000270173320 329579719 /nfs/dbraw/zinc/57/97/19/329579719.db2.gz DEQYLLHXOYLNNC-ZDUSSCGKSA-N 1 0 371.434 2.086 20 5 FEBDRO COc1cc(N2CC[NH+](CC3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271108831 329663145 /nfs/dbraw/zinc/66/31/45/329663145.db2.gz SVBPJDFQJGYHAD-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCCO)CC1 ZINC000272829021 329815864 /nfs/dbraw/zinc/81/58/64/329815864.db2.gz MNCAKPHWQPVVEJ-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000274598277 329963801 /nfs/dbraw/zinc/96/38/01/329963801.db2.gz HBIIRGHYFUXUIE-JSGCOSHPSA-N 1 0 364.402 2.132 20 5 FEBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000275155082 330016287 /nfs/dbraw/zinc/01/62/87/330016287.db2.gz VDNIVZONEPTNCK-KBPBESRZSA-N 1 0 360.357 2.496 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000275175016 330018583 /nfs/dbraw/zinc/01/85/83/330018583.db2.gz BYUOGDKHAYXQHG-NJZAAPMLSA-N 1 0 351.403 2.478 20 5 FEBDRO NC(=O)CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275623893 330071472 /nfs/dbraw/zinc/07/14/72/330071472.db2.gz OWFURHFTJDTIDW-UHFFFAOYSA-N 1 0 366.393 2.040 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000284245679 330181818 /nfs/dbraw/zinc/18/18/18/330181818.db2.gz CJXBAOZAUMIBHT-MRXNPFEDSA-N 1 0 353.444 2.161 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061802 330212589 /nfs/dbraw/zinc/21/25/89/330212589.db2.gz YMBRSQDCEZAVAV-QZTJIDSGSA-N 1 0 374.441 2.132 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247558314 549356449 /nfs/dbraw/zinc/35/64/49/549356449.db2.gz RPDLCFHFOMIBDF-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)N(CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000157041332 545693707 /nfs/dbraw/zinc/69/37/07/545693707.db2.gz JMQVTIXRNJWJHA-CQSZACIVSA-N 1 0 358.398 2.120 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000158597902 545876014 /nfs/dbraw/zinc/87/60/14/545876014.db2.gz GBYOAFGCMBDNGX-GFCCVEGCSA-N 1 0 371.434 2.371 20 5 FEBDRO COC(=O)c1cnc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000478294683 561163762 /nfs/dbraw/zinc/16/37/62/561163762.db2.gz WAPIHDBSMZVHCJ-OAHLLOKOSA-N 1 0 358.398 2.361 20 5 FEBDRO O=[N+]([O-])c1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302924 561163975 /nfs/dbraw/zinc/16/39/75/561163975.db2.gz MPBAOFQXACCRBK-LJQANCHMSA-N 1 0 359.401 2.461 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000171445851 546208800 /nfs/dbraw/zinc/20/88/00/546208800.db2.gz FPYFXXLNPSHWGR-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C[NH+](C)C ZINC000479766027 561196589 /nfs/dbraw/zinc/19/65/89/561196589.db2.gz FRFWAGBBAZZBDC-GFCCVEGCSA-N 1 0 365.430 2.001 20 5 FEBDRO CC[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176184653 546417218 /nfs/dbraw/zinc/41/72/18/546417218.db2.gz JNQGZILGNICXRZ-KRWDZBQOSA-N 1 0 364.446 2.049 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000177460050 546624200 /nfs/dbraw/zinc/62/42/00/546624200.db2.gz FURFSIRWRZCTAZ-RYUDHWBXSA-N 1 0 358.398 2.039 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177507072 546632344 /nfs/dbraw/zinc/63/23/44/546632344.db2.gz PHPCBHGHHJTIOY-LSDHHAIUSA-N 1 0 363.414 2.374 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177583447 546649257 /nfs/dbraw/zinc/64/92/57/546649257.db2.gz IDCRCLSBQAOZCU-HUUCEWRRSA-N 1 0 371.441 2.064 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177757783 546680597 /nfs/dbraw/zinc/68/05/97/546680597.db2.gz CQUJWPMYTCAAEY-CVEARBPZSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178689821 546833211 /nfs/dbraw/zinc/83/32/11/546833211.db2.gz LIBDMRAMMDLESV-QWHCGFSZSA-N 1 0 350.419 2.424 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481779664 561241957 /nfs/dbraw/zinc/24/19/57/561241957.db2.gz MUNUEIKULFGBSS-KBPBESRZSA-N 1 0 371.441 2.215 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859106 546862601 /nfs/dbraw/zinc/86/26/01/546862601.db2.gz LYXBZMTWBAQPFJ-BBRMVZONSA-N 1 0 365.430 2.475 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000178944553 546877879 /nfs/dbraw/zinc/87/78/79/546877879.db2.gz KCOJQWGSBZXUEE-GJZGRUSLSA-N 1 0 369.487 2.177 20 5 FEBDRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179344697 546936051 /nfs/dbraw/zinc/93/60/51/546936051.db2.gz MHQNYBSQONXWMH-CQSZACIVSA-N 1 0 351.403 2.051 20 5 FEBDRO O=C(C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000179688928 546998779 /nfs/dbraw/zinc/99/87/79/546998779.db2.gz HKPPQVVAXXQKAQ-HWKANZROSA-N 1 0 359.426 2.179 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760402 547009495 /nfs/dbraw/zinc/00/94/95/547009495.db2.gz MSJCKVAOQVZHMX-CYBMUJFWSA-N 1 0 370.409 2.456 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482515970 561255443 /nfs/dbraw/zinc/25/54/43/561255443.db2.gz BAQVZWIJHIFXLA-HVDRQEDPSA-N 1 0 351.403 2.094 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180498100 547119431 /nfs/dbraw/zinc/11/94/31/547119431.db2.gz CYNUKVXANJCWHV-MRXNPFEDSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000483142007 561268747 /nfs/dbraw/zinc/26/87/47/561268747.db2.gz TXHBFQQPYXZPAB-CYBMUJFWSA-N 1 0 365.430 2.415 20 5 FEBDRO C[N@H+](CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CCCCC1 ZINC000181360581 547299741 /nfs/dbraw/zinc/29/97/41/547299741.db2.gz UMDYJMTYDPNUDA-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000181413923 547309976 /nfs/dbraw/zinc/30/99/76/547309976.db2.gz GNJAVDUPNKDQKF-OAHLLOKOSA-N 1 0 353.325 2.012 20 5 FEBDRO C[C@@H](O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181785638 547380167 /nfs/dbraw/zinc/38/01/67/547380167.db2.gz WWUPUHLZUIOSLY-ZBFHGGJFSA-N 1 0 352.431 2.350 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000181902104 547401638 /nfs/dbraw/zinc/40/16/38/547401638.db2.gz NDEOJHFJWBRTTG-QGZVFWFLSA-N 1 0 363.458 2.285 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182186786 547449270 /nfs/dbraw/zinc/44/92/70/547449270.db2.gz JZVJNGZNTWDYTE-RHSMWYFYSA-N 1 0 369.487 2.031 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182851019 547561603 /nfs/dbraw/zinc/56/16/03/547561603.db2.gz NUNJJZURVKYPKM-CRAIPNDOSA-N 1 0 360.458 2.203 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183400207 547650598 /nfs/dbraw/zinc/65/05/98/547650598.db2.gz LYKMZXYXTUNYFR-SFHVURJKSA-N 1 0 369.421 2.400 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000183408078 547653274 /nfs/dbraw/zinc/65/32/74/547653274.db2.gz SEIKVDVYRBKRLN-INIZCTEOSA-N 1 0 355.398 2.139 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183425052 547656831 /nfs/dbraw/zinc/65/68/31/547656831.db2.gz WSURKEKAYCUQEY-IBGZPJMESA-N 1 0 369.421 2.020 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000183523554 547675229 /nfs/dbraw/zinc/67/52/29/547675229.db2.gz NGJLOAFHOCCVOP-OAHLLOKOSA-N 1 0 369.487 2.179 20 5 FEBDRO CS[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000484615983 561301304 /nfs/dbraw/zinc/30/13/04/561301304.db2.gz ISDDOEHJMZGIQM-DLBZAZTESA-N 1 0 351.472 2.485 20 5 FEBDRO CC1([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183857298 547730585 /nfs/dbraw/zinc/73/05/85/547730585.db2.gz NIWWMUXADSXBQK-AWEZNQCLSA-N 1 0 363.414 2.398 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183896822 547735739 /nfs/dbraw/zinc/73/57/39/547735739.db2.gz HDYQGTCVRHPZAG-KBPBESRZSA-N 1 0 363.414 2.397 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000184316274 547807061 /nfs/dbraw/zinc/80/70/61/547807061.db2.gz ASDZQEZUJUDGJN-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184588721 547850448 /nfs/dbraw/zinc/85/04/48/547850448.db2.gz VTAOPZMHWGNWLL-HNNXBMFYSA-N 1 0 355.460 2.231 20 5 FEBDRO C[C@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000184879313 547892405 /nfs/dbraw/zinc/89/24/05/547892405.db2.gz DYRBJVBEWXRXDQ-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000185062719 547926552 /nfs/dbraw/zinc/92/65/52/547926552.db2.gz RBOLTYLEYXDFHO-RYUDHWBXSA-N 1 0 359.423 2.193 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000485725318 561326615 /nfs/dbraw/zinc/32/66/15/561326615.db2.gz CNNLSLXTYVCFJC-QILLFSRXSA-N 1 0 352.431 2.326 20 5 FEBDRO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186327267 548119517 /nfs/dbraw/zinc/11/95/17/548119517.db2.gz HQUILNXDNDEGMS-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186654773 548167063 /nfs/dbraw/zinc/16/70/63/548167063.db2.gz SLGXNKIHMPEAQW-FXAWDEMLSA-N 1 0 370.405 2.466 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]12 ZINC000186921723 548219255 /nfs/dbraw/zinc/21/92/55/548219255.db2.gz YVSVUROITOPWMG-BZUAXINKSA-N 1 0 358.442 2.007 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000187050828 548248270 /nfs/dbraw/zinc/24/82/70/548248270.db2.gz RVNIXZJUQZIIMD-CQSZACIVSA-N 1 0 362.430 2.280 20 5 FEBDRO CSc1cccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000486215941 561341326 /nfs/dbraw/zinc/34/13/26/561341326.db2.gz BERQOYINJMZXSR-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194925007 548551647 /nfs/dbraw/zinc/55/16/47/548551647.db2.gz XJLJZDSWWGHTRP-CYBMUJFWSA-N 1 0 361.402 2.432 20 5 FEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000195263304 548605959 /nfs/dbraw/zinc/60/59/59/548605959.db2.gz GJBODWDRGRWWGT-NXNVCVFFSA-N 1 0 372.469 2.369 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000237806325 548854084 /nfs/dbraw/zinc/85/40/84/548854084.db2.gz WSIOYRCOXGJPSW-QGZVFWFLSA-N 1 0 357.414 2.418 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245742099 548985912 /nfs/dbraw/zinc/98/59/12/548985912.db2.gz FEDOAPYAXYIXQU-UKRRQHHQSA-N 1 0 357.414 2.193 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000246464960 549139727 /nfs/dbraw/zinc/13/97/27/549139727.db2.gz NROSFTDQMQBPLR-OWCLPIDISA-N 1 0 354.451 2.068 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488712919 561395049 /nfs/dbraw/zinc/39/50/49/561395049.db2.gz KHKQPVARPZXGSY-LBPRGKRZSA-N 1 0 362.430 2.395 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904604 549239459 /nfs/dbraw/zinc/23/94/59/549239459.db2.gz MFQKPKORXFXCLV-KGLIPLIRSA-N 1 0 364.446 2.204 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247122859 549287414 /nfs/dbraw/zinc/28/74/14/549287414.db2.gz YXVRROSAPCOSOB-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247629550 549367124 /nfs/dbraw/zinc/36/71/24/549367124.db2.gz SPIXQLNHFIBVCX-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000247690134 549372543 /nfs/dbraw/zinc/37/25/43/549372543.db2.gz VUKUAHHSVFQTHP-FRFSOERESA-N 1 0 360.414 2.039 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248470206 549446334 /nfs/dbraw/zinc/44/63/34/549446334.db2.gz HQHYJDQETZLAOD-JQWIXIFHSA-N 1 0 359.423 2.146 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000248748765 549495416 /nfs/dbraw/zinc/49/54/16/549495416.db2.gz SLGXNKIHMPEAQW-YLJYHZDGSA-N 1 0 370.405 2.466 20 5 FEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249112393 549554290 /nfs/dbraw/zinc/55/42/90/549554290.db2.gz RJNGXPDFLBWEJN-CRAIPNDOSA-N 1 0 352.431 2.208 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000249125459 549556712 /nfs/dbraw/zinc/55/67/12/549556712.db2.gz CHKFJUNBZOJWPC-XJKSGUPXSA-N 1 0 362.430 2.030 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261747396 549750381 /nfs/dbraw/zinc/75/03/81/549750381.db2.gz OPOIHWLRAZOCDV-LKFCYVNXSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261885780 549766229 /nfs/dbraw/zinc/76/62/29/549766229.db2.gz UTMNVXSGPJTOFN-LSDHHAIUSA-N 1 0 361.423 2.019 20 5 FEBDRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000261912667 549769311 /nfs/dbraw/zinc/76/93/11/549769311.db2.gz ZYMRZGQYIJQVOH-SWLSCSKDSA-N 1 0 373.413 2.414 20 5 FEBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000261995684 549777906 /nfs/dbraw/zinc/77/79/06/549777906.db2.gz NQJLTDKMZOEERX-HNAYVOBHSA-N 1 0 358.442 2.023 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000263652044 549913660 /nfs/dbraw/zinc/91/36/60/549913660.db2.gz HHDOVVFUISAFDN-KRWDZBQOSA-N 1 0 371.441 2.189 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000491977463 561448621 /nfs/dbraw/zinc/44/86/21/561448621.db2.gz PFGARYJJBYWIGD-IRXDYDNUSA-N 1 0 365.405 2.232 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@@H]21 ZINC000268831402 550121248 /nfs/dbraw/zinc/12/12/48/550121248.db2.gz MKVMUJTULZBPTE-ZFWWWQNUSA-N 1 0 360.414 2.472 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907539 550130270 /nfs/dbraw/zinc/13/02/70/550130270.db2.gz LSCNLTLPQBGXHE-HUUCEWRRSA-N 1 0 362.430 2.229 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999334 550142409 /nfs/dbraw/zinc/14/24/09/550142409.db2.gz JNHJANSWYDSAPT-GXTWGEPZSA-N 1 0 363.414 2.168 20 5 FEBDRO O=C(CN1CCS[C@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999043 550142719 /nfs/dbraw/zinc/14/27/19/550142719.db2.gz YTAPDMLHABYWHU-JSGCOSHPSA-N 1 0 371.846 2.393 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121258 550157411 /nfs/dbraw/zinc/15/74/11/550157411.db2.gz DBWPSLLWCWILJR-QAPCUYQASA-N 1 0 356.426 2.492 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000269397382 550190210 /nfs/dbraw/zinc/19/02/10/550190210.db2.gz BVPSMPBFGRXXIK-INIZCTEOSA-N 1 0 355.398 2.382 20 5 FEBDRO CCOCCO[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000269702342 550218636 /nfs/dbraw/zinc/21/86/36/550218636.db2.gz QDRRCXSXHWFVQH-HNNXBMFYSA-N 1 0 354.403 2.110 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000270619524 550289794 /nfs/dbraw/zinc/28/97/94/550289794.db2.gz DBWNPUJNGVRXOO-UONOGXRCSA-N 1 0 372.878 2.164 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000270696034 550297910 /nfs/dbraw/zinc/29/79/10/550297910.db2.gz RYQBAHSAUXETTN-AWEZNQCLSA-N 1 0 360.414 2.043 20 5 FEBDRO COc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077648 550338208 /nfs/dbraw/zinc/33/82/08/550338208.db2.gz HPKTYPDXPPUTSF-CQSZACIVSA-N 1 0 366.437 2.349 20 5 FEBDRO COc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077644 550338417 /nfs/dbraw/zinc/33/84/17/550338417.db2.gz HPKTYPDXPPUTSF-AWEZNQCLSA-N 1 0 366.437 2.349 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000271361931 550369064 /nfs/dbraw/zinc/36/90/64/550369064.db2.gz YLFDTUSVDZVTFW-UHFFFAOYSA-N 1 0 361.427 2.300 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271372317 550369931 /nfs/dbraw/zinc/36/99/31/550369931.db2.gz IAOANVPMSCXIEU-UHFFFAOYSA-N 1 0 365.356 2.065 20 5 FEBDRO Cc1cc(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271572695 550387034 /nfs/dbraw/zinc/38/70/34/550387034.db2.gz AFFUZMQJKOOPAM-MRXNPFEDSA-N 1 0 360.414 2.246 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272498620 550453485 /nfs/dbraw/zinc/45/34/85/550453485.db2.gz GHPSLKJQRPMXPD-XWIAVFTESA-N 1 0 355.442 2.490 20 5 FEBDRO COc1ccc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000272854015 550473461 /nfs/dbraw/zinc/47/34/61/550473461.db2.gz WASXKTJJZJBUOK-SFHVURJKSA-N 1 0 371.393 2.443 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274071500 550522011 /nfs/dbraw/zinc/52/20/11/550522011.db2.gz CDERJFZAFCFULK-AWEZNQCLSA-N 1 0 372.194 2.322 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCO1 ZINC000274764974 550553039 /nfs/dbraw/zinc/55/30/39/550553039.db2.gz UPZSCCQRMBFUCN-OAHLLOKOSA-N 1 0 357.366 2.187 20 5 FEBDRO COC(=O)c1cnc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785786 550595609 /nfs/dbraw/zinc/59/56/09/550595609.db2.gz OXFAFAFGRGMTAI-BETUJISGSA-N 1 0 366.418 2.078 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000276932261 550612756 /nfs/dbraw/zinc/61/27/56/550612756.db2.gz IUTPCECNIJMPDC-HIFRSBDPSA-N 1 0 351.403 2.479 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000278142864 550754131 /nfs/dbraw/zinc/75/41/31/550754131.db2.gz AGZQNWZPWNHCHW-NWDGAFQWSA-N 1 0 360.418 2.095 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000278329096 550773604 /nfs/dbraw/zinc/77/36/04/550773604.db2.gz AXNQYNVDVZLGLP-NSHDSACASA-N 1 0 369.368 2.198 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278435207 550785727 /nfs/dbraw/zinc/78/57/27/550785727.db2.gz QAHRYHCEEBJPRB-UHFFFAOYSA-N 1 0 361.368 2.447 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495684 550792365 /nfs/dbraw/zinc/79/23/65/550792365.db2.gz AAHZNUZEOPYDTR-IPELMVKDSA-N 1 0 371.437 2.421 20 5 FEBDRO CC(C)[NH2+]C1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278794935 550822862 /nfs/dbraw/zinc/82/28/62/550822862.db2.gz XBBVNTPWRUKKMB-UHFFFAOYSA-N 1 0 360.418 2.143 20 5 FEBDRO CCn1nccc1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000278845085 550828338 /nfs/dbraw/zinc/82/83/38/550828338.db2.gz JODMOCBKWVWGLU-QGZVFWFLSA-N 1 0 374.441 2.431 20 5 FEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000279133842 550857589 /nfs/dbraw/zinc/85/75/89/550857589.db2.gz WOIKEQHVGVXCJD-HZPDHXFCSA-N 1 0 351.403 2.015 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279188849 550863105 /nfs/dbraw/zinc/86/31/05/550863105.db2.gz LCSQKFURKMRGBN-LBPRGKRZSA-N 1 0 352.410 2.214 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280566605 551008352 /nfs/dbraw/zinc/00/83/52/551008352.db2.gz RQBIRKIVNGGRHO-KSSFIOAISA-N 1 0 363.414 2.112 20 5 FEBDRO Cn1cc(C[NH2+]CC2([S@](C)=O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280645771 551016872 /nfs/dbraw/zinc/01/68/72/551016872.db2.gz NPRJPCBPKIUNOY-VWLOTQADSA-N 1 0 362.455 2.386 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000496211826 561493047 /nfs/dbraw/zinc/49/30/47/561493047.db2.gz SYLRALPSSXLBBF-INIZCTEOSA-N 1 0 371.441 2.455 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000281013732 551054987 /nfs/dbraw/zinc/05/49/87/551054987.db2.gz RCJKELRSHCOJNX-UHFFFAOYSA-N 1 0 370.409 2.489 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281075443 551061068 /nfs/dbraw/zinc/06/10/68/551061068.db2.gz UBKZRJRZDATZPK-IRXDYDNUSA-N 1 0 373.409 2.021 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000281156233 551069039 /nfs/dbraw/zinc/06/90/39/551069039.db2.gz LAAFJTAUAIFJTM-CHWSQXEVSA-N 1 0 366.418 2.078 20 5 FEBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000281441033 551097785 /nfs/dbraw/zinc/09/77/85/551097785.db2.gz HBMDXZVYGNAMJZ-UHFFFAOYSA-N 1 0 361.851 2.355 20 5 FEBDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000282557582 551246135 /nfs/dbraw/zinc/24/61/35/551246135.db2.gz XXAGFVJNOHJQCZ-UHFFFAOYSA-N 1 0 353.419 2.463 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157305 551320647 /nfs/dbraw/zinc/32/06/47/551320647.db2.gz CTLRIEYBOSKLSG-TZMCWYRMSA-N 1 0 361.320 2.311 20 5 FEBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000283340304 551350196 /nfs/dbraw/zinc/35/01/96/551350196.db2.gz AHINJRSPNPAGNP-UHFFFAOYSA-N 1 0 356.430 2.455 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000283464529 551370556 /nfs/dbraw/zinc/37/05/56/551370556.db2.gz VTWXUKAHLLDKFP-WFASDCNBSA-N 1 0 360.414 2.103 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)Cc1ccccc1 ZINC000498099023 561516032 /nfs/dbraw/zinc/51/60/32/561516032.db2.gz SRCZBBNDSIOOGE-QGZVFWFLSA-N 1 0 373.457 2.169 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284305543 551519610 /nfs/dbraw/zinc/51/96/10/551519610.db2.gz YZAFKDLLORQFRT-ZDUSSCGKSA-N 1 0 357.414 2.259 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549144 561527787 /nfs/dbraw/zinc/52/77/87/561527787.db2.gz GBTLKMFDFCJUQP-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549146 561527807 /nfs/dbraw/zinc/52/78/07/561527807.db2.gz GBTLKMFDFCJUQP-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(CN1CCC[C@@](O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000285688328 551795574 /nfs/dbraw/zinc/79/55/74/551795574.db2.gz VHUAUUPPHJLLJR-AWEZNQCLSA-N 1 0 361.320 2.313 20 5 FEBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285712515 551799482 /nfs/dbraw/zinc/79/94/82/551799482.db2.gz PPNCBLFNCWWYNA-UHFFFAOYSA-N 1 0 374.397 2.107 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000285966544 551832675 /nfs/dbraw/zinc/83/26/75/551832675.db2.gz DLRIKBGCEQCEFX-GXTWGEPZSA-N 1 0 351.403 2.073 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286031206 551840497 /nfs/dbraw/zinc/84/04/97/551840497.db2.gz QJMKXHIBTZHMAV-QRVBRYPASA-N 1 0 369.421 2.261 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286102646 551849223 /nfs/dbraw/zinc/84/92/23/551849223.db2.gz NRTOSDLLERMDII-KKFJDGPESA-N 1 0 356.220 2.474 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000286338201 551876002 /nfs/dbraw/zinc/87/60/02/551876002.db2.gz KCJOVYOGPCQIIB-IRXDYDNUSA-N 1 0 361.442 2.157 20 5 FEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286365317 551879138 /nfs/dbraw/zinc/87/91/38/551879138.db2.gz HQPBMITWWPZCEX-AWEZNQCLSA-N 1 0 362.430 2.304 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000286377500 551880731 /nfs/dbraw/zinc/88/07/31/551880731.db2.gz IQDQAXMTGCQWCU-UHFFFAOYSA-N 1 0 358.402 2.052 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569684 551901016 /nfs/dbraw/zinc/90/10/16/551901016.db2.gz DYWMRQWRMGCHJF-SMDDNHRTSA-N 1 0 373.862 2.496 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000286705967 551916786 /nfs/dbraw/zinc/91/67/86/551916786.db2.gz YUEFFPGMPCQWSG-HNNXBMFYSA-N 1 0 371.441 2.272 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287185129 551974092 /nfs/dbraw/zinc/97/40/92/551974092.db2.gz NUYSVDGGSLBTGB-ZFWWWQNUSA-N 1 0 362.430 2.372 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000288633473 552189054 /nfs/dbraw/zinc/18/90/54/552189054.db2.gz BINXEUMCDPERCK-UHFFFAOYSA-N 1 0 358.398 2.250 20 5 FEBDRO CCOc1cc(C(=O)NCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000499925417 561561814 /nfs/dbraw/zinc/56/18/14/561561814.db2.gz KQJBJQFDHILFDB-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO CCOc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000499933971 561562228 /nfs/dbraw/zinc/56/22/28/561562228.db2.gz WPAIDTDCLRYIQT-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000289266371 552291930 /nfs/dbraw/zinc/29/19/30/552291930.db2.gz ARVCSMASIQJBQF-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cnccc1OC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000289458831 552325268 /nfs/dbraw/zinc/32/52/68/552325268.db2.gz VPZAUCAOQLWFQN-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO CO[C@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289490760 552330239 /nfs/dbraw/zinc/33/02/39/552330239.db2.gz KXFKSNSBDDTQPM-MRVPVSSYSA-N 1 0 350.156 2.324 20 5 FEBDRO C[C@H](CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289582357 552344809 /nfs/dbraw/zinc/34/48/09/552344809.db2.gz SRBFMBQHCAESPS-SECBINFHSA-N 1 0 364.183 2.308 20 5 FEBDRO Cn1cc(CN2CCO[C@@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289616679 552350199 /nfs/dbraw/zinc/35/01/99/552350199.db2.gz WCNOSPAMMFPFQH-IBGZPJMESA-N 1 0 372.425 2.377 20 5 FEBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C(C)(C)C1 ZINC000500497800 561575002 /nfs/dbraw/zinc/57/50/02/561575002.db2.gz UFQHPTNLZJJYFF-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCc2cn[nH]c2)c1 ZINC000289977358 552408623 /nfs/dbraw/zinc/40/86/23/552408623.db2.gz WOPAIDKBWUBHDQ-UHFFFAOYSA-N 1 0 372.166 2.255 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290075752 552423840 /nfs/dbraw/zinc/42/38/40/552423840.db2.gz INRKFUMCTOSVKK-NWDGAFQWSA-N 1 0 353.806 2.085 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000500792059 561582511 /nfs/dbraw/zinc/58/25/11/561582511.db2.gz CSRRHBQNYCXBND-INIZCTEOSA-N 1 0 371.441 2.141 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500876869 561584886 /nfs/dbraw/zinc/58/48/86/561584886.db2.gz TYCWUQCCHIUFAI-OAHLLOKOSA-N 1 0 362.474 2.015 20 5 FEBDRO CC(=O)N[C@H](C)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501030158 561588050 /nfs/dbraw/zinc/58/80/50/561588050.db2.gz AKKOFWHQTMYVLQ-CYBMUJFWSA-N 1 0 362.430 2.160 20 5 FEBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290960892 552569476 /nfs/dbraw/zinc/56/94/76/552569476.db2.gz OKEWPSBSAHJVFD-UHFFFAOYSA-N 1 0 357.414 2.411 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291891814 552672167 /nfs/dbraw/zinc/67/21/67/552672167.db2.gz QSQOHZXGZOVKAX-GFCCVEGCSA-N 1 0 357.357 2.181 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000291891728 552672310 /nfs/dbraw/zinc/67/23/10/552672310.db2.gz ICTLIXRPWHKGKJ-HNNXBMFYSA-N 1 0 357.414 2.350 20 5 FEBDRO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292249213 552708715 /nfs/dbraw/zinc/70/87/15/552708715.db2.gz JZXXYXNLKZNPBW-LLVKDONJSA-N 1 0 373.500 2.370 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](C(C)C)CC1 ZINC000292427175 552725631 /nfs/dbraw/zinc/72/56/31/552725631.db2.gz LSPGJTBAFQWUMX-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293158589 552794418 /nfs/dbraw/zinc/79/44/18/552794418.db2.gz OPOAUPFBPALXFK-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590297 552838328 /nfs/dbraw/zinc/83/83/28/552838328.db2.gz CRQOIUKNSBBDBT-KGLIPLIRSA-N 1 0 364.446 2.454 20 5 FEBDRO COc1ccc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000293957557 552870987 /nfs/dbraw/zinc/87/09/87/552870987.db2.gz JEXCAPPLXLHXFD-QGZVFWFLSA-N 1 0 350.415 2.261 20 5 FEBDRO C[C@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293973739 552872224 /nfs/dbraw/zinc/87/22/24/552872224.db2.gz QVBFGPMSTRVJEV-LQKXBSAESA-N 1 0 352.456 2.471 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294393240 552902685 /nfs/dbraw/zinc/90/26/85/552902685.db2.gz SDSMMPSHVHBOLG-QMTHXVAHSA-N 1 0 362.352 2.091 20 5 FEBDRO C[N@H+](CCCNC(=O)C1CCC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501845871 561606534 /nfs/dbraw/zinc/60/65/34/561606534.db2.gz YPCRSHIJZABIST-UHFFFAOYSA-N 1 0 362.430 2.162 20 5 FEBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000294744843 552931125 /nfs/dbraw/zinc/93/11/25/552931125.db2.gz VMEBGNKMPONENR-CZUORRHYSA-N 1 0 363.458 2.419 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295086274 552957613 /nfs/dbraw/zinc/95/76/13/552957613.db2.gz QZPJYOZOIWCMLL-CYBMUJFWSA-N 1 0 367.427 2.272 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000295243130 552974799 /nfs/dbraw/zinc/97/47/99/552974799.db2.gz DBPZJKLHTUZWNR-AWEZNQCLSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000295270479 552979163 /nfs/dbraw/zinc/97/91/63/552979163.db2.gz HQSYIFUZIRNKIZ-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000295321213 552987055 /nfs/dbraw/zinc/98/70/55/552987055.db2.gz WKQFQWDJLRJQCV-ZNMIVQPWSA-N 1 0 366.414 2.046 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295371630 552995884 /nfs/dbraw/zinc/99/58/84/552995884.db2.gz OULVJMXDIZEFPW-LLVKDONJSA-N 1 0 362.386 2.368 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000295387520 552998229 /nfs/dbraw/zinc/99/82/29/552998229.db2.gz UTODZMYUSNJTFZ-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(I)cc2)c1 ZINC000295575068 553028004 /nfs/dbraw/zinc/02/80/04/553028004.db2.gz DHSSSVTXRTUYHR-UHFFFAOYSA-N 1 0 372.166 2.186 20 5 FEBDRO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295677282 553043268 /nfs/dbraw/zinc/04/32/68/553043268.db2.gz KOFKFJZNRJBVEG-CYBMUJFWSA-N 1 0 355.439 2.178 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000295716019 553049254 /nfs/dbraw/zinc/04/92/54/553049254.db2.gz UZZZQDHKCMVZRV-IAGOWNOFSA-N 1 0 374.393 2.032 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000502377807 561617184 /nfs/dbraw/zinc/61/71/84/561617184.db2.gz JOZMXPSUDINAQO-HOTGVXAUSA-N 1 0 373.413 2.334 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296163697 553115459 /nfs/dbraw/zinc/11/54/59/553115459.db2.gz AYEOLQHMZSNTFW-UHFFFAOYSA-N 1 0 362.430 2.420 20 5 FEBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296301125 553137092 /nfs/dbraw/zinc/13/70/92/553137092.db2.gz FSIQWGPQHZSIHX-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000296521356 553173727 /nfs/dbraw/zinc/17/37/27/553173727.db2.gz AJGWTLDDFZUIDR-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296539012 553176675 /nfs/dbraw/zinc/17/66/75/553176675.db2.gz BHQDYQMILZTKHA-QGZVFWFLSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000296645867 553192738 /nfs/dbraw/zinc/19/27/38/553192738.db2.gz VTISBSQPGOQOCH-CQSZACIVSA-N 1 0 351.403 2.320 20 5 FEBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296669227 553195816 /nfs/dbraw/zinc/19/58/16/553195816.db2.gz KQCLAXGSUSEWOV-QGZVFWFLSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1nn(CC(=O)NC2CC[NH+](C(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000502869952 561628475 /nfs/dbraw/zinc/62/84/75/561628475.db2.gz FVRBKFYIGCQVCL-UHFFFAOYSA-N 1 0 359.430 2.242 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000297063057 553248781 /nfs/dbraw/zinc/24/87/81/553248781.db2.gz JAQHJQAXKRIWPY-CQSZACIVSA-N 1 0 372.425 2.310 20 5 FEBDRO O=C(NCCN1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000297102843 553253549 /nfs/dbraw/zinc/25/35/49/553253549.db2.gz XLRFFJPCTOHQIG-UHFFFAOYSA-N 1 0 362.213 2.088 20 5 FEBDRO Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1C1CC[NH2+]CC1 ZINC000297192317 553261916 /nfs/dbraw/zinc/26/19/16/553261916.db2.gz QROQVPVDAZNJPB-UHFFFAOYSA-N 1 0 359.415 2.218 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297202498 553263247 /nfs/dbraw/zinc/26/32/47/553263247.db2.gz MVFJHZLUBITDFQ-UHFFFAOYSA-N 1 0 370.409 2.463 20 5 FEBDRO COc1cc(C(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000297287045 553273742 /nfs/dbraw/zinc/27/37/42/553273742.db2.gz UMLKEBZFULOHOM-UHFFFAOYSA-N 1 0 359.329 2.016 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803023 553340623 /nfs/dbraw/zinc/34/06/23/553340623.db2.gz IAQUJGHAMXMJHF-TZMCWYRMSA-N 1 0 362.430 2.078 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000298160570 553392041 /nfs/dbraw/zinc/39/20/41/553392041.db2.gz TZUVFCHVCIJIMG-UHFFFAOYSA-N 1 0 363.414 2.326 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298831082 553478618 /nfs/dbraw/zinc/47/86/18/553478618.db2.gz WDWBMLYZPNPCAU-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000299209804 553531432 /nfs/dbraw/zinc/53/14/32/553531432.db2.gz FLUGMCKIACXWBQ-UHFFFAOYSA-N 1 0 353.444 2.111 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000299252482 553537039 /nfs/dbraw/zinc/53/70/39/553537039.db2.gz JUTQPARTPHENQJ-UHFFFAOYSA-N 1 0 374.441 2.283 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000299296846 553543944 /nfs/dbraw/zinc/54/39/44/553543944.db2.gz MRBNZYOSDBUDQF-GDBMZVCRSA-N 1 0 374.441 2.235 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000299302834 553544994 /nfs/dbraw/zinc/54/49/94/553544994.db2.gz TYWKSBLLCAVWFR-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299578484 553584216 /nfs/dbraw/zinc/58/42/16/553584216.db2.gz HOHGJUSPNLJEGG-UHFFFAOYSA-N 1 0 364.446 2.454 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299733876 553610060 /nfs/dbraw/zinc/61/00/60/553610060.db2.gz ZCLDXQUXLFHZOD-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301099735 553621962 /nfs/dbraw/zinc/62/19/62/553621962.db2.gz SMODTHDJZBEPKL-CQSZACIVSA-N 1 0 355.398 2.165 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301238542 553634411 /nfs/dbraw/zinc/63/44/11/553634411.db2.gz NEDAYEUPQOPSHI-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CCCCC1 ZINC000301359535 553645162 /nfs/dbraw/zinc/64/51/62/553645162.db2.gz LMZUIQOUBYITEE-HNNXBMFYSA-N 1 0 370.475 2.165 20 5 FEBDRO COc1cc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301502070 553656519 /nfs/dbraw/zinc/65/65/19/553656519.db2.gz FHNGPIVRDXLKOW-QGZVFWFLSA-N 1 0 357.410 2.435 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301833700 553683665 /nfs/dbraw/zinc/68/36/65/553683665.db2.gz JUQZTEVPINGPBS-LLVKDONJSA-N 1 0 372.267 2.190 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCCC[C@@H]3CO2)c(Br)c1 ZINC000301847973 553685096 /nfs/dbraw/zinc/68/50/96/553685096.db2.gz CENIOLGHDBPABY-ZYHUDNBSSA-N 1 0 371.235 2.418 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301913382 553691499 /nfs/dbraw/zinc/69/14/99/553691499.db2.gz CMPYCXYSLPFFTM-QGZVFWFLSA-N 1 0 369.425 2.062 20 5 FEBDRO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302692356 553726291 /nfs/dbraw/zinc/72/62/91/553726291.db2.gz RXNLHYJEPVKTEV-NSHDSACASA-N 1 0 358.236 2.433 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000307830499 553751892 /nfs/dbraw/zinc/75/18/92/553751892.db2.gz ZSLNRXHRKXWKSG-SECBINFHSA-N 1 0 370.125 2.367 20 5 FEBDRO Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000319271474 553763691 /nfs/dbraw/zinc/76/36/91/553763691.db2.gz ASCLXVXMKIEDEF-GFCCVEGCSA-N 1 0 369.263 2.150 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000322427805 553768332 /nfs/dbraw/zinc/76/83/32/553768332.db2.gz NSFQAVOASCPJOJ-GWCFXTLKSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000326838417 553783531 /nfs/dbraw/zinc/78/35/31/553783531.db2.gz KQGYAWUIEQHTAH-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000327750198 553790881 /nfs/dbraw/zinc/79/08/81/553790881.db2.gz MFYOMIFBXDVYDZ-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO Cn1cc(C(=O)NCC2(C)CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507856919 561743511 /nfs/dbraw/zinc/74/35/11/561743511.db2.gz ZLKSVURYOZWCDR-UHFFFAOYSA-N 1 0 371.441 2.457 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000507858456 561743627 /nfs/dbraw/zinc/74/36/27/561743627.db2.gz HXCLPKFLLIBYIK-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421195 554119849 /nfs/dbraw/zinc/11/98/49/554119849.db2.gz QCMJWOMEOJELSS-UONOGXRCSA-N 1 0 355.460 2.302 20 5 FEBDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330606541 554145492 /nfs/dbraw/zinc/14/54/92/554145492.db2.gz KRBKSQYGNGOYLE-KBPBESRZSA-N 1 0 361.851 2.198 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000331150734 554221962 /nfs/dbraw/zinc/22/19/62/554221962.db2.gz OKTLHKVTALCKNJ-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000509023513 561781994 /nfs/dbraw/zinc/78/19/94/561781994.db2.gz WLKOOVNHWWHJRS-SCLBCKFNSA-N 1 0 368.428 2.331 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621640 554296958 /nfs/dbraw/zinc/29/69/58/554296958.db2.gz FHZPJDMULLQVSM-CABCVRRESA-N 1 0 351.428 2.130 20 5 FEBDRO CC(C)(C(=O)NC1CC[NH+](CC2CCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000331665350 554304315 /nfs/dbraw/zinc/30/43/15/554304315.db2.gz NJFUGHUPEXZYAD-UHFFFAOYSA-N 1 0 363.462 2.297 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331918254 554346492 /nfs/dbraw/zinc/34/64/92/554346492.db2.gz NYAIIJQPFOVPSE-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509432090 561799474 /nfs/dbraw/zinc/79/94/74/561799474.db2.gz XUILRERNPGIEBB-SOFGYWHQSA-N 1 0 350.382 2.416 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000331970914 554355060 /nfs/dbraw/zinc/35/50/60/554355060.db2.gz RRAFBGOJBYPDTG-KRWDZBQOSA-N 1 0 371.441 2.408 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000332079935 554375645 /nfs/dbraw/zinc/37/56/45/554375645.db2.gz IYFIMZXHJKFFAT-GDBMZVCRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000332079936 554376012 /nfs/dbraw/zinc/37/60/12/554376012.db2.gz IYFIMZXHJKFFAT-GOEBONIOSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000332221311 554404041 /nfs/dbraw/zinc/40/40/41/554404041.db2.gz KINBZOXNLFBUEW-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332435679 554445932 /nfs/dbraw/zinc/44/59/32/554445932.db2.gz GYWMYEDBHSFMNW-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+](C)C ZINC000510546094 561838287 /nfs/dbraw/zinc/83/82/87/561838287.db2.gz IDQXUIMXSFCGJL-WBMJQRKESA-N 1 0 357.414 2.302 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000511034869 561854347 /nfs/dbraw/zinc/85/43/47/561854347.db2.gz WEKWVHNVMJQQTA-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO O=C(C[N@H+](CCO)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000510969595 561852650 /nfs/dbraw/zinc/85/26/50/561852650.db2.gz QEHZMRZIJJCIDX-UHFFFAOYSA-N 1 0 372.219 2.000 20 5 FEBDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342981 554781254 /nfs/dbraw/zinc/78/12/54/554781254.db2.gz UTBXFMXOQBBTNG-CXAGYDPISA-N 1 0 374.353 2.299 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000360928648 554895772 /nfs/dbraw/zinc/89/57/72/554895772.db2.gz NXLPIVLDBCJDAA-INIZCTEOSA-N 1 0 363.462 2.214 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391124 554920665 /nfs/dbraw/zinc/92/06/65/554920665.db2.gz IPXCPWFJGUWTBA-QMTHXVAHSA-N 1 0 363.443 2.365 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361813402 554936119 /nfs/dbraw/zinc/93/61/19/554936119.db2.gz MLZCYNARBIPZAC-MNOVXSKESA-N 1 0 364.358 2.328 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362022777 554945138 /nfs/dbraw/zinc/94/51/38/554945138.db2.gz MSFKEDDPYMYREX-RISCZKNCSA-N 1 0 373.862 2.271 20 5 FEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000511650443 561876218 /nfs/dbraw/zinc/87/62/18/561876218.db2.gz WJVVKSMNZFSJQF-GVSKICRLSA-N 1 0 373.409 2.248 20 5 FEBDRO CCCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363029043 555013972 /nfs/dbraw/zinc/01/39/72/555013972.db2.gz BCSXFLUSDQRIST-UHFFFAOYSA-N 1 0 362.430 2.258 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363258704 555065938 /nfs/dbraw/zinc/06/59/38/555065938.db2.gz IHVFWLAQKSLEAV-AESZEHBQSA-N 1 0 358.442 2.338 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422733 555101480 /nfs/dbraw/zinc/10/14/80/555101480.db2.gz IXHGJUNWTZJYLY-FRRDWIJNSA-N 1 0 353.444 2.276 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000363650298 555155148 /nfs/dbraw/zinc/15/51/48/555155148.db2.gz GGJCBCYNQOLTKN-OAHLLOKOSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1nccc(CN2CCC[C@@H](NCc3csc([N+](=O)[O-])c3)C2=O)n1 ZINC000363976668 555225627 /nfs/dbraw/zinc/22/56/27/555225627.db2.gz NIKQGHAGDPFEQU-CQSZACIVSA-N 1 0 361.427 2.036 20 5 FEBDRO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994531 555229507 /nfs/dbraw/zinc/22/95/07/555229507.db2.gz BMGXNGKLLAPLCB-WFASDCNBSA-N 1 0 359.386 2.371 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000364198202 555267912 /nfs/dbraw/zinc/26/79/12/555267912.db2.gz XGVKXTGAYQQJCL-CVEARBPZSA-N 1 0 374.328 2.209 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000364213834 555271622 /nfs/dbraw/zinc/27/16/22/555271622.db2.gz QWBGVVYUDOFYHU-LSDHHAIUSA-N 1 0 359.357 2.309 20 5 FEBDRO O=C(CN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000364429435 555312713 /nfs/dbraw/zinc/31/27/13/555312713.db2.gz YYXOYRDLKVWNJB-UHFFFAOYSA-N 1 0 350.394 2.233 20 5 FEBDRO Cc1nn(CCC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000512419755 561904169 /nfs/dbraw/zinc/90/41/69/561904169.db2.gz BZRUFOVLDZUFDH-UHFFFAOYSA-N 1 0 371.441 2.141 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000364568747 555340760 /nfs/dbraw/zinc/34/07/60/555340760.db2.gz JGEDUEXEFLDKSO-KXBFYZLASA-N 1 0 370.409 2.178 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000364921212 555438247 /nfs/dbraw/zinc/43/82/47/555438247.db2.gz WCHIECCYKLABBY-UHFFFAOYSA-N 1 0 367.409 2.371 20 5 FEBDRO Cc1cc(C)n2c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cnc2n1 ZINC000365116840 555489333 /nfs/dbraw/zinc/48/93/33/555489333.db2.gz MUXOAXIIDQVLDM-UHFFFAOYSA-N 1 0 355.402 2.288 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365542655 555603778 /nfs/dbraw/zinc/60/37/78/555603778.db2.gz ATAYXVVNSNCWPR-MFKMUULPSA-N 1 0 360.336 2.044 20 5 FEBDRO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365880378 555691294 /nfs/dbraw/zinc/69/12/94/555691294.db2.gz QNZVQVFKMXIECQ-CQSZACIVSA-N 1 0 357.414 2.133 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117959 555757209 /nfs/dbraw/zinc/75/72/09/555757209.db2.gz GONYPCIZANEKEC-XJKSGUPXSA-N 1 0 355.398 2.025 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@H]1c1ccccc1 ZINC000366200884 555780005 /nfs/dbraw/zinc/78/00/05/555780005.db2.gz KBLOUMPFFXGWJV-QGPMSJSTSA-N 1 0 352.394 2.365 20 5 FEBDRO O=C(N[C@H]1CCc2[nH]cnc2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455915 555848763 /nfs/dbraw/zinc/84/87/63/555848763.db2.gz KCEMJDVKRBKGFV-ZDUSSCGKSA-N 1 0 355.398 2.205 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244662 561965428 /nfs/dbraw/zinc/96/54/28/561965428.db2.gz LTMKNDWVLPLRLM-WOPDTQHZSA-N 1 0 367.402 2.108 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000514597139 561968658 /nfs/dbraw/zinc/96/86/58/561968658.db2.gz GEHXPOYNOFYEPQ-IBGZPJMESA-N 1 0 373.457 2.293 20 5 FEBDRO CC(=O)c1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437467 556048504 /nfs/dbraw/zinc/04/85/04/556048504.db2.gz WMZJWYIWJSJYHU-KSSFIOAISA-N 1 0 360.458 2.260 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367642426 556103461 /nfs/dbraw/zinc/10/34/61/556103461.db2.gz IRHKOBZPCUYSBE-UHFFFAOYSA-N 1 0 364.365 2.074 20 5 FEBDRO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000515123879 561997187 /nfs/dbraw/zinc/99/71/87/561997187.db2.gz KUFRRHMGPVODMR-IKGGRYGDSA-N 1 0 365.478 2.221 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ncccc1Cl ZINC000515415124 562009888 /nfs/dbraw/zinc/00/98/88/562009888.db2.gz QEBHAYXSFWICJC-LBPRGKRZSA-N 1 0 367.789 2.052 20 5 FEBDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976180 556465518 /nfs/dbraw/zinc/46/55/18/556465518.db2.gz UNUVHMLSRLBAAC-BXUZGUMPSA-N 1 0 364.475 2.093 20 5 FEBDRO CC(=O)Nc1cccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000515877255 562024567 /nfs/dbraw/zinc/02/45/67/562024567.db2.gz SBPLGRSSULGCJU-KRWDZBQOSA-N 1 0 359.382 2.083 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1SC ZINC000370159309 556797404 /nfs/dbraw/zinc/79/74/04/556797404.db2.gz HZKUDTXKFVTTPJ-JQWIXIFHSA-N 1 0 351.428 2.149 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370203212 556809726 /nfs/dbraw/zinc/80/97/26/556809726.db2.gz ZYLXMHWAFYGJOL-GOSISDBHSA-N 1 0 362.474 2.204 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370423703 556868814 /nfs/dbraw/zinc/86/88/14/556868814.db2.gz METUJYNZXBUSSZ-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370423069 556868904 /nfs/dbraw/zinc/86/89/04/556868904.db2.gz JYGFICFNVHNGCA-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000370632346 556926185 /nfs/dbraw/zinc/92/61/85/556926185.db2.gz ZRKBUJSNTZFVGO-CABCVRRESA-N 1 0 373.862 2.449 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000370698499 556943541 /nfs/dbraw/zinc/94/35/41/556943541.db2.gz FVUSCPRBEMSCMM-OAHLLOKOSA-N 1 0 352.866 2.460 20 5 FEBDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817509 556976933 /nfs/dbraw/zinc/97/69/33/556976933.db2.gz CNOOVQJRTHCYBE-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc2N1 ZINC000371131072 557083867 /nfs/dbraw/zinc/08/38/67/557083867.db2.gz WMQCXRSCNLNKFI-CQSZACIVSA-N 1 0 360.414 2.145 20 5 FEBDRO O=C(NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000371276852 557128699 /nfs/dbraw/zinc/12/86/99/557128699.db2.gz AVLOTRGUHSCNMB-HOTGVXAUSA-N 1 0 374.441 2.152 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281219 557129511 /nfs/dbraw/zinc/12/95/11/557129511.db2.gz BQGRBVJJKOFVMG-VQIMIIECSA-N 1 0 363.458 2.435 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281216 557130051 /nfs/dbraw/zinc/13/00/51/557130051.db2.gz BQGRBVJJKOFVMG-APWZRJJASA-N 1 0 363.458 2.435 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000517454883 562090557 /nfs/dbraw/zinc/09/05/57/562090557.db2.gz IYYIDZBCNZHOKH-OAHLLOKOSA-N 1 0 360.458 2.269 20 5 FEBDRO CN1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000517560818 562092492 /nfs/dbraw/zinc/09/24/92/562092492.db2.gz BALHRIXLKJNSSR-UHFFFAOYSA-N 1 0 356.386 2.386 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000518594263 562114832 /nfs/dbraw/zinc/11/48/32/562114832.db2.gz WAMDEOXUSJYYJR-UHFFFAOYSA-N 1 0 364.446 2.283 20 5 FEBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086333 557376571 /nfs/dbraw/zinc/37/65/71/557376571.db2.gz UPWJXHULZOWTLD-BBWFWOEESA-N 1 0 369.425 2.242 20 5 FEBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372107391 557381545 /nfs/dbraw/zinc/38/15/45/557381545.db2.gz IXTSWLUWUVQDBV-ZACQAIPSSA-N 1 0 369.425 2.242 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518977289 562122395 /nfs/dbraw/zinc/12/23/95/562122395.db2.gz IEESXSBQOYQDBD-SJLPKXTDSA-N 1 0 361.442 2.272 20 5 FEBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2)C1CC1 ZINC000372391904 557458576 /nfs/dbraw/zinc/45/85/76/557458576.db2.gz HERHHDUMUIMVGA-LBPRGKRZSA-N 1 0 360.414 2.032 20 5 FEBDRO CN1CCC[C@]2(CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1=O ZINC000372507145 557488574 /nfs/dbraw/zinc/48/85/74/557488574.db2.gz QUJVRTVPMQVUMU-GOSISDBHSA-N 1 0 371.397 2.089 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000372660346 557531938 /nfs/dbraw/zinc/53/19/38/557531938.db2.gz OHPPYTRHJRLOSG-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO C[C@@H](OC[C@@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000519600841 562136610 /nfs/dbraw/zinc/13/66/10/562136610.db2.gz YOVKLPUHZYJBOX-WBMJQRKESA-N 1 0 368.821 2.173 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000373083294 557624654 /nfs/dbraw/zinc/62/46/54/557624654.db2.gz ZUIWJKLGHYUGMT-HNNXBMFYSA-N 1 0 366.849 2.475 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373092844 557626736 /nfs/dbraw/zinc/62/67/36/557626736.db2.gz OXLAFLQOQCPWHW-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n(C)n1 ZINC000373240458 557656485 /nfs/dbraw/zinc/65/64/85/557656485.db2.gz CZPPWMBVWXPSSG-AWEZNQCLSA-N 1 0 374.401 2.304 20 5 FEBDRO C[N@H+](CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000373328803 557673435 /nfs/dbraw/zinc/67/34/35/557673435.db2.gz RBLMJWAQERJVDW-UHFFFAOYSA-N 1 0 364.450 2.012 20 5 FEBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467736 557699068 /nfs/dbraw/zinc/69/90/68/557699068.db2.gz UVEXSICZWHJXIF-HUUCEWRRSA-N 1 0 366.466 2.114 20 5 FEBDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396980 562155341 /nfs/dbraw/zinc/15/53/41/562155341.db2.gz XJFKHGMTXKNTSR-NVXWUHKLSA-N 1 0 365.474 2.435 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373762821 557753854 /nfs/dbraw/zinc/75/38/54/557753854.db2.gz YKQDRCHGHLRNQO-MAUKXSAKSA-N 1 0 362.474 2.061 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000373766139 557754720 /nfs/dbraw/zinc/75/47/20/557754720.db2.gz LQMZVIPDCUCXLH-UHFFFAOYSA-N 1 0 374.441 2.283 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1c(Cl)cccc1[N+](=O)[O-])C2=O ZINC000520576669 562159457 /nfs/dbraw/zinc/15/94/57/562159457.db2.gz OUJMDKVWWCLCRD-HWPZZCPQSA-N 1 0 366.805 2.188 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000520798212 562163996 /nfs/dbraw/zinc/16/39/96/562163996.db2.gz QTEFZVCFVDAJPC-GOEBONIOSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374372896 557873651 /nfs/dbraw/zinc/87/36/51/557873651.db2.gz GBRZZHKPRHRRAY-NEPJUHHUSA-N 1 0 352.366 2.027 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000374585911 557902935 /nfs/dbraw/zinc/90/29/35/557902935.db2.gz LMRQEVUGFCRAJB-CLROSIBMSA-N 1 0 350.415 2.080 20 5 FEBDRO COc1cccc(CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000374613299 557906864 /nfs/dbraw/zinc/90/68/64/557906864.db2.gz OJHUUJMXRCTPRH-SFHVURJKSA-N 1 0 374.441 2.116 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000375017024 557964851 /nfs/dbraw/zinc/96/48/51/557964851.db2.gz GFHODUGVZIGKEZ-IUODEOHRSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375278041 558003282 /nfs/dbraw/zinc/00/32/82/558003282.db2.gz CNWVEFMJAYTMGP-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000375908178 558097860 /nfs/dbraw/zinc/09/78/60/558097860.db2.gz VQRLCRHSKONWSH-UHFFFAOYSA-N 1 0 367.881 2.497 20 5 FEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375921559 558100141 /nfs/dbraw/zinc/10/01/41/558100141.db2.gz RJFWZTUUUPOXOK-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO CCC[C@H](CC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000521587595 562179443 /nfs/dbraw/zinc/17/94/43/562179443.db2.gz CAQHAFIGZRICIW-ZDUSSCGKSA-N 1 0 372.491 2.425 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376296675 558154048 /nfs/dbraw/zinc/15/40/48/558154048.db2.gz RMIZBRYMEQTUOU-DZGCQCFKSA-N 1 0 369.425 2.212 20 5 FEBDRO COCC[C@@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376887 558164971 /nfs/dbraw/zinc/16/49/71/558164971.db2.gz QEJGUSMLHHXBIN-HOTGVXAUSA-N 1 0 352.431 2.473 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000376512565 558183578 /nfs/dbraw/zinc/18/35/78/558183578.db2.gz LFNDFWPZLPGWEY-AWEZNQCLSA-N 1 0 363.414 2.216 20 5 FEBDRO CN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377645963 558385586 /nfs/dbraw/zinc/38/55/86/558385586.db2.gz GVSMJYIXTSDERD-WMZOPIPTSA-N 1 0 372.400 2.368 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1nccc(C)c1[N+](=O)[O-] ZINC000377736417 558408530 /nfs/dbraw/zinc/40/85/30/558408530.db2.gz AXLMGYFCTSCGLT-UHFFFAOYSA-N 1 0 373.461 2.094 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000378222771 558505609 /nfs/dbraw/zinc/50/56/09/558505609.db2.gz IBTSWTIWLKYGCT-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378230775 558506889 /nfs/dbraw/zinc/50/68/89/558506889.db2.gz QNBREUXEVHUQMF-HOCLYGCPSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246540 558510785 /nfs/dbraw/zinc/51/07/85/558510785.db2.gz ICTHVZGOWKPJDL-ROUUACIJSA-N 1 0 359.430 2.391 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369089 558540937 /nfs/dbraw/zinc/54/09/37/558540937.db2.gz IXEPTCWIGNQHKK-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523538332 562215067 /nfs/dbraw/zinc/21/50/67/562215067.db2.gz AZLVBPGKNYCTDG-UHFFFAOYSA-N 1 0 357.414 2.229 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000392306953 558617522 /nfs/dbraw/zinc/61/75/22/558617522.db2.gz LMBZEEFBSVAKOF-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000397303380 558624472 /nfs/dbraw/zinc/62/44/72/558624472.db2.gz GVVUNRHTIPXZSN-TUAOUCFPSA-N 1 0 351.403 2.057 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000408081342 558644498 /nfs/dbraw/zinc/64/44/98/558644498.db2.gz UXRTUPZSQXRORZ-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239625 558659652 /nfs/dbraw/zinc/65/96/52/558659652.db2.gz ZTOCLZOAYMCPFZ-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408467030 558680349 /nfs/dbraw/zinc/68/03/49/558680349.db2.gz NPYJLCPKIIGIOF-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000411309511 558873754 /nfs/dbraw/zinc/87/37/54/558873754.db2.gz RKPUEVDZSJCPQX-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637390 558933663 /nfs/dbraw/zinc/93/36/63/558933663.db2.gz CULUNNIANNYRLF-KBPBESRZSA-N 1 0 365.430 2.415 20 5 FEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755318 558957106 /nfs/dbraw/zinc/95/71/06/558957106.db2.gz IKGVXSZKRIZIJH-UGSOOPFHSA-N 1 0 370.409 2.171 20 5 FEBDRO CO[C@](C)([C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965814 558996485 /nfs/dbraw/zinc/99/64/85/558996485.db2.gz FZJWPHNXLYZNRD-MLGOLLRUSA-N 1 0 356.444 2.162 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976343 558998144 /nfs/dbraw/zinc/99/81/44/558998144.db2.gz CZTCKZKPFZIYLA-ROUUACIJSA-N 1 0 356.426 2.422 20 5 FEBDRO NC(=O)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1c1ccccc1 ZINC000411975495 558998339 /nfs/dbraw/zinc/99/83/39/558998339.db2.gz YFSBPOJFXHXMEW-LSDHHAIUSA-N 1 0 365.393 2.172 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1F ZINC000412130166 559016069 /nfs/dbraw/zinc/01/60/69/559016069.db2.gz TYORXTJNLYIMSX-AWEZNQCLSA-N 1 0 353.394 2.084 20 5 FEBDRO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000412145846 559016815 /nfs/dbraw/zinc/01/68/15/559016815.db2.gz JKOBTECLCZKSRL-OTWHNJEPSA-N 1 0 374.485 2.087 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412206858 559020051 /nfs/dbraw/zinc/02/00/51/559020051.db2.gz UASTYWVOADTYPU-MTHXSQLBSA-N 1 0 373.453 2.408 20 5 FEBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000412263878 559023447 /nfs/dbraw/zinc/02/34/47/559023447.db2.gz ADQATZSVZOJHMZ-RRQGHBQHSA-N 1 0 361.442 2.002 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC2CC[NH+](C3CC3)CC2)c1F ZINC000412293464 559025509 /nfs/dbraw/zinc/02/55/09/559025509.db2.gz OHKHJRNPZJPSDG-UHFFFAOYSA-N 1 0 365.405 2.276 20 5 FEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328557 559028231 /nfs/dbraw/zinc/02/82/31/559028231.db2.gz CCEFNYDNQWCGHU-AAEUAGOBSA-N 1 0 361.402 2.484 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1F ZINC000413722108 559126935 /nfs/dbraw/zinc/12/69/35/559126935.db2.gz PIGJZKXEXYNGJK-LLVKDONJSA-N 1 0 351.378 2.052 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413824607 559132863 /nfs/dbraw/zinc/13/28/63/559132863.db2.gz WRTGAZSPZXGPDQ-IRXDYDNUSA-N 1 0 363.458 2.127 20 5 FEBDRO COCCNC(=O)C1([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187016 559152095 /nfs/dbraw/zinc/15/20/95/559152095.db2.gz PVMCLYKGNXMLMR-HOCLYGCPSA-N 1 0 361.442 2.191 20 5 FEBDRO CC(C)(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000414271318 559154734 /nfs/dbraw/zinc/15/47/34/559154734.db2.gz WUBLHNMPYMHYRR-OLZOCXBDSA-N 1 0 358.464 2.078 20 5 FEBDRO COCC(COC)[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000414469419 559166594 /nfs/dbraw/zinc/16/65/94/559166594.db2.gz GANPQXDZSBDZDL-WJDWOHSUSA-N 1 0 363.458 2.277 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000414752337 559184922 /nfs/dbraw/zinc/18/49/22/559184922.db2.gz BRWNYTUSPDIQRR-LLVKDONJSA-N 1 0 352.391 2.218 20 5 FEBDRO O=[N+]([O-])c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000414994696 559199586 /nfs/dbraw/zinc/19/95/86/559199586.db2.gz VUKDXXUCSMVPPZ-CYBMUJFWSA-N 1 0 366.771 2.174 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137226 559207722 /nfs/dbraw/zinc/20/77/22/559207722.db2.gz YAUHSUXYABAMFR-CQSZACIVSA-N 1 0 350.810 2.136 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415623157 559255820 /nfs/dbraw/zinc/25/58/20/559255820.db2.gz FROYRJJAGZILDR-GFCCVEGCSA-N 1 0 362.430 2.089 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415965064 559285312 /nfs/dbraw/zinc/28/53/12/559285312.db2.gz UEPNMCXQSUYZMJ-CQSZACIVSA-N 1 0 355.398 2.470 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416380393 559308778 /nfs/dbraw/zinc/30/87/78/559308778.db2.gz AHFNZFAOCJDHAW-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417168453 559351041 /nfs/dbraw/zinc/35/10/41/559351041.db2.gz ATTGROBYLAHYIG-QGZVFWFLSA-N 1 0 370.409 2.290 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417172954 559351278 /nfs/dbraw/zinc/35/12/78/559351278.db2.gz GOHMIIJCXZUXDB-KBPBESRZSA-N 1 0 362.430 2.135 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417176977 559351544 /nfs/dbraw/zinc/35/15/44/559351544.db2.gz KHJYFCWUSWKSID-OAHLLOKOSA-N 1 0 350.419 2.310 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000417714738 559373714 /nfs/dbraw/zinc/37/37/14/559373714.db2.gz IVKDHCSOLUSHHV-HNNXBMFYSA-N 1 0 363.462 2.346 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418087244 559389710 /nfs/dbraw/zinc/38/97/10/559389710.db2.gz GNULKRGGGJOPEU-NEPJUHHUSA-N 1 0 372.347 2.365 20 5 FEBDRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420363645 559483213 /nfs/dbraw/zinc/48/32/13/559483213.db2.gz PQFMCHMNIWZULA-PMACEKPBSA-N 1 0 355.438 2.490 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420377599 559483897 /nfs/dbraw/zinc/48/38/97/559483897.db2.gz PURPPACJXAOGHD-SCLBCKFNSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000420445986 559487814 /nfs/dbraw/zinc/48/78/14/559487814.db2.gz NQRKVSZBRAMSKP-LLVKDONJSA-N 1 0 361.851 2.367 20 5 FEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420450268 559487973 /nfs/dbraw/zinc/48/79/73/559487973.db2.gz PAVLEIPTDSXLHB-LLVKDONJSA-N 1 0 369.365 2.265 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000421544684 559544845 /nfs/dbraw/zinc/54/48/45/559544845.db2.gz QMIAKFMHHJDPGR-MRXNPFEDSA-N 1 0 361.442 2.396 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000422855879 559608690 /nfs/dbraw/zinc/60/86/90/559608690.db2.gz DBBBTZKPJUVCGJ-MRXNPFEDSA-N 1 0 357.360 2.427 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423160951 559621406 /nfs/dbraw/zinc/62/14/06/559621406.db2.gz ICQUCJCZOQYVIG-GOSISDBHSA-N 1 0 371.441 2.469 20 5 FEBDRO COCC1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423407249 559628178 /nfs/dbraw/zinc/62/81/78/559628178.db2.gz MEBWULVKSAGHEQ-KRWDZBQOSA-N 1 0 373.457 2.024 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423618655 559633977 /nfs/dbraw/zinc/63/39/77/559633977.db2.gz UWGDUNWHLYOSJD-HNNXBMFYSA-N 1 0 363.414 2.280 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000423944444 559647430 /nfs/dbraw/zinc/64/74/30/559647430.db2.gz FJRFEBRDBWZARR-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO CC(C)CCSc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423986197 559649126 /nfs/dbraw/zinc/64/91/26/559649126.db2.gz FINMYNWTFOSVOA-AWEZNQCLSA-N 1 0 367.471 2.451 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423988927 559649263 /nfs/dbraw/zinc/64/92/63/559649263.db2.gz YTERFYZLPHEGFU-OHUAYANFSA-N 1 0 355.822 2.459 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000423999891 559650150 /nfs/dbraw/zinc/65/01/50/559650150.db2.gz BJTLDSVWLMIKGR-NEPJUHHUSA-N 1 0 351.403 2.059 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424007430 559650543 /nfs/dbraw/zinc/65/05/43/559650543.db2.gz GDJKJFFIZIBTQN-JKSUJKDBSA-N 1 0 372.400 2.489 20 5 FEBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424277963 559660632 /nfs/dbraw/zinc/66/06/32/559660632.db2.gz HLQDLJJHAKOTMJ-XBRFFFJOSA-N 1 0 368.455 2.162 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450272 559702867 /nfs/dbraw/zinc/70/28/67/559702867.db2.gz UKCKNFMQMXKCNJ-GFCCVEGCSA-N 1 0 372.263 2.246 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000427602753 559758509 /nfs/dbraw/zinc/75/85/09/559758509.db2.gz RMHSMHWXTABNET-UHFFFAOYSA-N 1 0 369.425 2.106 20 5 FEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000428951293 559786487 /nfs/dbraw/zinc/78/64/87/559786487.db2.gz ISYYQGDTSKJBNX-ZYHUDNBSSA-N 1 0 370.247 2.404 20 5 FEBDRO C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000428983636 559787340 /nfs/dbraw/zinc/78/73/40/559787340.db2.gz QPNNXJLTPWCIOC-JSGCOSHPSA-N 1 0 357.414 2.113 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018052 559788790 /nfs/dbraw/zinc/78/87/90/559788790.db2.gz HJLRYJNQJDXQBA-RKVPGOIHSA-N 1 0 372.469 2.146 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568034 559822908 /nfs/dbraw/zinc/82/29/08/559822908.db2.gz BXBIOWHCLKJSNG-JSGCOSHPSA-N 1 0 352.435 2.236 20 5 FEBDRO COc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000431512178 559840556 /nfs/dbraw/zinc/84/05/56/559840556.db2.gz DTKUUBRDAPTNQO-UHFFFAOYSA-N 1 0 368.409 2.147 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000432516015 559860140 /nfs/dbraw/zinc/86/01/40/559860140.db2.gz VIPFUHHVHMWGNV-BXKDBHETSA-N 1 0 361.320 2.264 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCO1 ZINC000432549173 559860856 /nfs/dbraw/zinc/86/08/56/559860856.db2.gz HVLZOXMBHRCMCN-ZDUSSCGKSA-N 1 0 360.414 2.307 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c1[N+](=O)[O-] ZINC000433980226 559891996 /nfs/dbraw/zinc/89/19/96/559891996.db2.gz HIIYQXNCASIFCT-AWEZNQCLSA-N 1 0 359.430 2.344 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241634 559918529 /nfs/dbraw/zinc/91/85/29/559918529.db2.gz VMIPNGHKGXMBNH-LLVKDONJSA-N 1 0 354.204 2.324 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382340 559921925 /nfs/dbraw/zinc/92/19/25/559921925.db2.gz YXYDQYFXMMGILA-UHTWSYAYSA-N 1 0 371.384 2.416 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000436441392 559941708 /nfs/dbraw/zinc/94/17/08/559941708.db2.gz YBOHVJDNMIOTHS-HOTGVXAUSA-N 1 0 365.455 2.397 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000438592914 559981025 /nfs/dbraw/zinc/98/10/25/559981025.db2.gz AAMVCHXMLIRJHO-UHFFFAOYSA-N 1 0 372.425 2.465 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000438937102 559985722 /nfs/dbraw/zinc/98/57/22/559985722.db2.gz OFZGVUULSFTWQU-KRWDZBQOSA-N 1 0 363.458 2.405 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+](CCO)[C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000439011328 559987014 /nfs/dbraw/zinc/98/70/14/559987014.db2.gz SWBGZIKNNNSIEJ-CQSZACIVSA-N 1 0 367.471 2.422 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000440094462 560004727 /nfs/dbraw/zinc/00/47/27/560004727.db2.gz VRAFDVLMKJOUER-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH2+]C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000440427192 560010897 /nfs/dbraw/zinc/01/08/97/560010897.db2.gz DRWAIWUOFXLGGG-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440520178 560013581 /nfs/dbraw/zinc/01/35/81/560013581.db2.gz LCCPUJCGTYBOLN-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO CCOC(=O)[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000441248917 560027043 /nfs/dbraw/zinc/02/70/43/560027043.db2.gz WUOAPVCWLBYTGH-ZDUSSCGKSA-N 1 0 352.387 2.257 20 5 FEBDRO CSc1cccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000442963492 560064142 /nfs/dbraw/zinc/06/41/42/560064142.db2.gz FEHCCJOPOPSCDP-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444987675 560126251 /nfs/dbraw/zinc/12/62/51/560126251.db2.gz DLEUUJOLDWJDJD-TZMCWYRMSA-N 1 0 350.419 2.326 20 5 FEBDRO COCC[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000447400854 560161601 /nfs/dbraw/zinc/16/16/01/560161601.db2.gz SLTDKDFGAPZTFA-KRWDZBQOSA-N 1 0 351.403 2.017 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCN(c3cccnn3)CC2)n1 ZINC000447599518 560165148 /nfs/dbraw/zinc/16/51/48/560165148.db2.gz KEBZTBAELQTYPJ-HOTGVXAUSA-N 1 0 371.445 2.324 20 5 FEBDRO C[N@@H+]1CC[C@@](O)(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447680503 560166625 /nfs/dbraw/zinc/16/66/25/560166625.db2.gz HLLVFKIRNCPQOH-LLVKDONJSA-N 1 0 370.278 2.122 20 5 FEBDRO C[NH+](C)C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)Cc2ccccc2C1 ZINC000447687532 560167270 /nfs/dbraw/zinc/16/72/70/560167270.db2.gz UVUJDPCYUYFKLH-UHFFFAOYSA-N 1 0 351.410 2.404 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448317475 560183831 /nfs/dbraw/zinc/18/38/31/560183831.db2.gz IFZIIOZNQAGKRF-HNNXBMFYSA-N 1 0 362.430 2.078 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000449629433 560235081 /nfs/dbraw/zinc/23/50/81/560235081.db2.gz TZFQLUGFWRNAKG-VIFPVBQESA-N 1 0 351.737 2.116 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000449726512 560238233 /nfs/dbraw/zinc/23/82/33/560238233.db2.gz XPFSGZQKPCFWIH-LBPRGKRZSA-N 1 0 365.308 2.012 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1SC ZINC000449726518 560238336 /nfs/dbraw/zinc/23/83/36/560238336.db2.gz XQHUSMVAHAYVMA-NSHDSACASA-N 1 0 367.349 2.335 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000449728288 560238459 /nfs/dbraw/zinc/23/84/59/560238459.db2.gz UMLJWSURMTXODZ-UHFFFAOYSA-N 1 0 354.403 2.033 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449757171 560239053 /nfs/dbraw/zinc/23/90/53/560239053.db2.gz XQLONJZHGQZMOU-AWEZNQCLSA-N 1 0 353.444 2.093 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884296 560244010 /nfs/dbraw/zinc/24/40/10/560244010.db2.gz OOZSODLSBWXBMG-ZBFHGGJFSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450594310 560267372 /nfs/dbraw/zinc/26/73/72/560267372.db2.gz KFQAYOVXTLXUPT-QGZVFWFLSA-N 1 0 371.441 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)nc1-c1ccc(F)cc1 ZINC000450601993 560267698 /nfs/dbraw/zinc/26/76/98/560267698.db2.gz ZGCYCTHTEHROBV-INIZCTEOSA-N 1 0 374.416 3.055 20 5 FEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260545 560296531 /nfs/dbraw/zinc/29/65/31/560296531.db2.gz UTXQOOXBQWTZMW-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451558330 560314623 /nfs/dbraw/zinc/31/46/23/560314623.db2.gz GAGQYCWNIRRBLW-WFASDCNBSA-N 1 0 351.403 2.289 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836858 560331485 /nfs/dbraw/zinc/33/14/85/560331485.db2.gz HCWHOUZCVOCXHK-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000451885296 560334759 /nfs/dbraw/zinc/33/47/59/560334759.db2.gz FDZVDTOFVRGHEG-NEPJUHHUSA-N 1 0 361.402 2.498 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452078765 560349869 /nfs/dbraw/zinc/34/98/69/560349869.db2.gz FAQJIPVKWQPELB-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452106688 560351782 /nfs/dbraw/zinc/35/17/82/560351782.db2.gz QVQODSKJVVVQGF-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453141046 560383819 /nfs/dbraw/zinc/38/38/19/560383819.db2.gz JBWOTLSUUSJLKH-MRXNPFEDSA-N 1 0 353.444 2.041 20 5 FEBDRO C[C@@H](CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000455423348 560481721 /nfs/dbraw/zinc/48/17/21/560481721.db2.gz BTCABOXLIRDJHI-ZDUSSCGKSA-N 1 0 350.419 2.098 20 5 FEBDRO CNc1nc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000455669234 560491224 /nfs/dbraw/zinc/49/12/24/560491224.db2.gz ZTFDSPDKWAIUDW-UHFFFAOYSA-N 1 0 361.377 2.162 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915704 560500080 /nfs/dbraw/zinc/50/00/80/560500080.db2.gz NLOGKJOBNBOGTB-DZGCQCFKSA-N 1 0 369.425 2.424 20 5 FEBDRO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000458178862 560607217 /nfs/dbraw/zinc/60/72/17/560607217.db2.gz XFKGQYNTHOTITI-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)ccc1OCC[NH+](C)C ZINC000458214323 560609439 /nfs/dbraw/zinc/60/94/39/560609439.db2.gz OJIBQBGVNCNZGR-UHFFFAOYSA-N 1 0 359.386 2.073 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000458219138 560609789 /nfs/dbraw/zinc/60/97/89/560609789.db2.gz OPCDLMFPLCAGAW-ZDUSSCGKSA-N 1 0 367.471 2.141 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)CCSCC1 ZINC000459689429 560702285 /nfs/dbraw/zinc/70/22/85/560702285.db2.gz DMZBETJTZINTNZ-UHFFFAOYSA-N 1 0 353.444 2.080 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744237 560705666 /nfs/dbraw/zinc/70/56/66/560705666.db2.gz DQMGJICKDVOLEC-XZJROXQQSA-N 1 0 363.414 2.478 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128868 560735849 /nfs/dbraw/zinc/73/58/49/560735849.db2.gz GYZZNHJZAQJAAF-LSDHHAIUSA-N 1 0 360.414 2.126 20 5 FEBDRO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461404303 560770086 /nfs/dbraw/zinc/77/00/86/560770086.db2.gz DGMITZADEGLDLE-SFHVURJKSA-N 1 0 369.421 2.489 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464850809 560853385 /nfs/dbraw/zinc/85/33/85/560853385.db2.gz LCBDPYXQNPUGNS-DZGCQCFKSA-N 1 0 361.398 2.394 20 5 FEBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000464939307 560855467 /nfs/dbraw/zinc/85/54/67/560855467.db2.gz WZBWGBGFPOROSG-UHFFFAOYSA-N 1 0 373.413 2.326 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000465014095 560856877 /nfs/dbraw/zinc/85/68/77/560856877.db2.gz RJTMEJQCBQNHGY-HNNXBMFYSA-N 1 0 363.462 2.284 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000465623626 560869998 /nfs/dbraw/zinc/86/99/98/560869998.db2.gz CDDJJJLLXRBPBC-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466245788 560882630 /nfs/dbraw/zinc/88/26/30/560882630.db2.gz KDMLPMYUOHPYLV-AWEZNQCLSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000467405777 560909606 /nfs/dbraw/zinc/90/96/06/560909606.db2.gz HHGIPDCAMYHHKI-LBPRGKRZSA-N 1 0 359.473 2.214 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000467678248 560914773 /nfs/dbraw/zinc/91/47/73/560914773.db2.gz MEGMLYXEMMEPRI-UHFFFAOYSA-N 1 0 367.471 2.237 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000468653539 560935128 /nfs/dbraw/zinc/93/51/28/560935128.db2.gz WUIIZWUODPGODW-JLHYYAGUSA-N 1 0 353.444 2.012 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470152697 560975508 /nfs/dbraw/zinc/97/55/08/560975508.db2.gz NWONCDAPQGBNTF-UHFFFAOYSA-N 1 0 367.425 2.273 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000470178059 560976167 /nfs/dbraw/zinc/97/61/67/560976167.db2.gz WLJKSQWIUDQFTN-QTJNJRLBSA-N 1 0 372.425 2.308 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472538575 561028797 /nfs/dbraw/zinc/02/87/97/561028797.db2.gz IKYRMEHLUFOZHH-GFCCVEGCSA-N 1 0 366.393 2.053 20 5 FEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+](C)Cc1ccccc1 ZINC000472602968 561030787 /nfs/dbraw/zinc/03/07/87/561030787.db2.gz WNLAJPVPMJZJNH-CYBMUJFWSA-N 1 0 358.398 2.336 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000473945615 561061556 /nfs/dbraw/zinc/06/15/56/561061556.db2.gz AARQXYPJEQQSIA-ZDUSSCGKSA-N 1 0 355.460 2.310 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000474351662 561071871 /nfs/dbraw/zinc/07/18/71/561071871.db2.gz MCBHHIMCWPLEIW-OAHLLOKOSA-N 1 0 372.377 2.240 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000474377602 561072752 /nfs/dbraw/zinc/07/27/52/561072752.db2.gz YPFVWPNGEVASJC-UHFFFAOYSA-N 1 0 372.377 2.467 20 5 FEBDRO CNc1ccc(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cc1[N+](=O)[O-] ZINC000530317067 562406601 /nfs/dbraw/zinc/40/66/01/562406601.db2.gz ADSCRXYLEGZKJK-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000532809672 562489766 /nfs/dbraw/zinc/48/97/66/562489766.db2.gz NQVJMQWIXFQNDV-LLVKDONJSA-N 1 0 368.411 2.386 20 5 FEBDRO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000533103678 562498675 /nfs/dbraw/zinc/49/86/75/562498675.db2.gz GZZGSZYENMJLOG-SFHVURJKSA-N 1 0 371.437 2.367 20 5 FEBDRO COC(=O)CC1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000533390300 562507022 /nfs/dbraw/zinc/50/70/22/562507022.db2.gz NOMIMFGQJNGIJF-OAHLLOKOSA-N 1 0 366.414 2.190 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1=O ZINC000534493764 562535195 /nfs/dbraw/zinc/53/51/95/562535195.db2.gz UEYRBEIPFJCHFW-UHFFFAOYSA-N 1 0 370.365 2.317 20 5 FEBDRO CCC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000535758046 562567041 /nfs/dbraw/zinc/56/70/41/562567041.db2.gz SZBYIYMGLGOOFG-OAHLLOKOSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536880502 562581675 /nfs/dbraw/zinc/58/16/75/562581675.db2.gz BOVYKOZJYFQMKK-VIKVFOODSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000537264409 562588946 /nfs/dbraw/zinc/58/89/46/562588946.db2.gz RRNZQVOCDUPRAF-UHFFFAOYSA-N 1 0 355.394 2.357 20 5 FEBDRO CNc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901369 562596162 /nfs/dbraw/zinc/59/61/62/562596162.db2.gz ZSJGADFPRNSOHX-NVXWUHKLSA-N 1 0 354.410 2.464 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000541648014 562617209 /nfs/dbraw/zinc/61/72/09/562617209.db2.gz IGQINYGJQDJZCR-QWHCGFSZSA-N 1 0 351.403 2.337 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000806624409 674383878 /nfs/dbraw/zinc/38/38/78/674383878.db2.gz NGJDPCWOKGMTHE-IAGOWNOFSA-N 1 0 350.802 2.475 20 5 FEBDRO O=C(NCCC1CC[NH2+]CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000602520588 567987229 /nfs/dbraw/zinc/98/72/29/567987229.db2.gz IFNDWXFWXOHZJU-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO COC(=O)c1ccc(F)c2c1CN(CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602914036 568011847 /nfs/dbraw/zinc/01/18/47/568011847.db2.gz BWKFMYUAWULSBT-UHFFFAOYSA-N 1 0 362.361 2.084 20 5 FEBDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000568500475 568038372 /nfs/dbraw/zinc/03/83/72/568038372.db2.gz QJRJURJLCXZZBE-NSHDSACASA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000603715461 568138370 /nfs/dbraw/zinc/13/83/70/568138370.db2.gz YWKRYRKUADGDIC-ZIAGYGMSSA-N 1 0 362.430 2.221 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000568761247 568187066 /nfs/dbraw/zinc/18/70/66/568187066.db2.gz MQJMCSDVOHMDQT-OAHLLOKOSA-N 1 0 362.407 2.228 20 5 FEBDRO CN(c1ccccc1)c1ccc(CN2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563136673 568270011 /nfs/dbraw/zinc/27/00/11/568270011.db2.gz GMPCHPCLBXOVKD-SFHVURJKSA-N 1 0 369.469 2.437 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181991370 568351546 /nfs/dbraw/zinc/35/15/46/568351546.db2.gz ATKSZAZUZKQCAX-JTQLQIEISA-N 1 0 350.293 2.423 20 5 FEBDRO Cc1ccccc1C[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000569844896 568427198 /nfs/dbraw/zinc/42/71/98/568427198.db2.gz COVYGZWBMZJKTM-MRXNPFEDSA-N 1 0 357.410 2.425 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c([N+](=O)[O-])c1 ZINC000570449562 568477369 /nfs/dbraw/zinc/47/73/69/568477369.db2.gz LMNHUUBPMTWXAJ-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000570571693 568488907 /nfs/dbraw/zinc/48/89/07/568488907.db2.gz OAPVODMFEQWCFO-UHFFFAOYSA-N 1 0 372.469 2.413 20 5 FEBDRO CC(C)CN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676218 568495041 /nfs/dbraw/zinc/49/50/41/568495041.db2.gz LGWQJAZJIUEORF-IAGOWNOFSA-N 1 0 365.474 2.435 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920869 674427989 /nfs/dbraw/zinc/42/79/89/674427989.db2.gz PNPSDNDFPYTEOE-UKRRQHHQSA-N 1 0 355.460 2.368 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738368216 599530983 /nfs/dbraw/zinc/53/09/83/599530983.db2.gz ATPFCTOANZSWOK-CYBMUJFWSA-N 1 0 357.418 2.230 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC000810065505 674528517 /nfs/dbraw/zinc/52/85/17/674528517.db2.gz WDNWYDIWHNILAN-UHFFFAOYSA-N 1 0 353.400 2.193 20 5 FEBDRO C[NH+](C)C1(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCCCCC1 ZINC000821581609 607162443 /nfs/dbraw/zinc/16/24/43/607162443.db2.gz QBZYDOIEQAOBKI-UHFFFAOYSA-N 1 0 360.422 2.236 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569610 608564026 /nfs/dbraw/zinc/56/40/26/608564026.db2.gz JFYBPDPAANCEMF-BDJLRTHQSA-N 1 0 354.370 2.159 20 5 FEBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670182 609315030 /nfs/dbraw/zinc/31/50/30/609315030.db2.gz LQCQWRTZPWNXOX-NWDGAFQWSA-N 1 0 372.433 2.235 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000562114554 674722745 /nfs/dbraw/zinc/72/27/45/674722745.db2.gz YITQBOXAKSAMFZ-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO CC[C@@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562071576 674720552 /nfs/dbraw/zinc/72/05/52/674720552.db2.gz GMQCRPXUDSGXED-NSHDSACASA-N 1 0 364.183 2.450 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000815009394 674895187 /nfs/dbraw/zinc/89/51/87/674895187.db2.gz ISVJOSFOIBWTQH-MRVPVSSYSA-N 1 0 365.814 2.148 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000564325100 674995725 /nfs/dbraw/zinc/99/57/25/674995725.db2.gz LMXBBNHCFUQEEZ-AWEZNQCLSA-N 1 0 367.471 2.197 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000565220311 675103123 /nfs/dbraw/zinc/10/31/23/675103123.db2.gz DTGSFBITXNBYPY-ZDUSSCGKSA-N 1 0 352.410 2.324 20 5 FEBDRO CSC1(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)CC[NH+](C)CC1 ZINC000565224948 675103700 /nfs/dbraw/zinc/10/37/00/675103700.db2.gz AWRRZLPKKBBFSB-UHFFFAOYSA-N 1 0 354.476 3.016 20 5 FEBDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565427557 675120808 /nfs/dbraw/zinc/12/08/08/675120808.db2.gz QLNFNFUMVHGQIO-BXUZGUMPSA-N 1 0 362.373 2.444 20 5 FEBDRO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817491342 675138465 /nfs/dbraw/zinc/13/84/65/675138465.db2.gz OJIJFXHKZWBSBL-GFCCVEGCSA-N 1 0 350.375 2.286 20 5 FEBDRO CCOCC[NH+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000111164702 670855217 /nfs/dbraw/zinc/85/52/17/670855217.db2.gz BCNOXFXLDWPMNV-UHFFFAOYSA-N 1 0 366.443 2.484 20 5 FEBDRO CSC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000573885792 671177021 /nfs/dbraw/zinc/17/70/21/671177021.db2.gz QUTVFMSZGIJAIU-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCSCC(F)(F)F)cc1 ZINC000574869032 671282356 /nfs/dbraw/zinc/28/23/56/671282356.db2.gz KAEWIEKGSLFJOR-UHFFFAOYSA-N 1 0 372.390 2.254 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609352630 675919835 /nfs/dbraw/zinc/91/98/35/675919835.db2.gz AZBRTIZCHNCIHY-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609557034 675925921 /nfs/dbraw/zinc/92/59/21/675925921.db2.gz MHZZBNJZDQTZJN-CQSZACIVSA-N 1 0 350.419 2.275 20 5 FEBDRO CCCN(C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000578231470 671650572 /nfs/dbraw/zinc/65/05/72/671650572.db2.gz AAQZFEOLIQCOJG-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609619817 675929125 /nfs/dbraw/zinc/92/91/25/675929125.db2.gz GBZYJLPBJYPGHK-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000579067434 671709840 /nfs/dbraw/zinc/70/98/40/671709840.db2.gz KNFWYHCGONUMEY-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000579703316 671754248 /nfs/dbraw/zinc/75/42/48/671754248.db2.gz IPPNZXWDZICYHD-NTZNESFSSA-N 1 0 350.341 2.111 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCn2ccc3cc(Cl)ccc32)c1 ZINC000579944870 671772217 /nfs/dbraw/zinc/77/22/17/671772217.db2.gz LTPAVBPHDHSKES-HNNXBMFYSA-N 1 0 363.805 2.050 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000580438903 671807634 /nfs/dbraw/zinc/80/76/34/671807634.db2.gz IVYPZXIRXOAJKM-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000580906129 671845135 /nfs/dbraw/zinc/84/51/35/671845135.db2.gz HJWTZUIHHOSHFS-PBHICJAKSA-N 1 0 352.431 2.111 20 5 FEBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000580906131 671845304 /nfs/dbraw/zinc/84/53/04/671845304.db2.gz HJWTZUIHHOSHFS-WMLDXEAASA-N 1 0 352.431 2.111 20 5 FEBDRO C[N@H+](CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119367428 671898161 /nfs/dbraw/zinc/89/81/61/671898161.db2.gz JTQGBCODUBMWTI-UHFFFAOYSA-N 1 0 369.468 2.457 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000121432560 671949185 /nfs/dbraw/zinc/94/91/85/671949185.db2.gz QVEOAQQJMHRLEH-KRWDZBQOSA-N 1 0 350.415 2.427 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000582790406 672034383 /nfs/dbraw/zinc/03/43/83/672034383.db2.gz OPEYPVBXQRYWFW-QWHCGFSZSA-N 1 0 373.500 2.089 20 5 FEBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000610518977 675977811 /nfs/dbraw/zinc/97/78/11/675977811.db2.gz IIMPETREHYSKIK-KRWDZBQOSA-N 1 0 350.371 2.350 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000610784478 675996399 /nfs/dbraw/zinc/99/63/99/675996399.db2.gz PBTZVJRZRVQOKE-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000162464469 672304521 /nfs/dbraw/zinc/30/45/21/672304521.db2.gz HUZQTXQGMQIBAW-CQSZACIVSA-N 1 0 352.391 2.440 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178925511 672396976 /nfs/dbraw/zinc/39/69/76/672396976.db2.gz HBLLOHDFSKALRK-SNVBAGLBSA-N 1 0 361.851 2.305 20 5 FEBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590369349 672575116 /nfs/dbraw/zinc/57/51/16/672575116.db2.gz CSKXOLDPIUOBRL-LBPRGKRZSA-N 1 0 367.471 2.282 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000590444956 672583529 /nfs/dbraw/zinc/58/35/29/672583529.db2.gz OLQDDGVOEWUURK-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1SC ZINC000590567131 672590229 /nfs/dbraw/zinc/59/02/29/672590229.db2.gz XQCGAROWQZYPHF-ZYHUDNBSSA-N 1 0 353.444 2.490 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000591014048 672641375 /nfs/dbraw/zinc/64/13/75/672641375.db2.gz ZQEPNNZOIHCIRD-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592390112 672796725 /nfs/dbraw/zinc/79/67/25/672796725.db2.gz AWHRAUCNBFQFQH-VXGBXAGGSA-N 1 0 359.473 2.057 20 5 FEBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592392530 672797258 /nfs/dbraw/zinc/79/72/58/672797258.db2.gz HCTILPTURZMJEQ-UHFFFAOYSA-N 1 0 367.349 2.116 20 5 FEBDRO CC1([NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000592543897 672812992 /nfs/dbraw/zinc/81/29/92/672812992.db2.gz WLPNAFHWRYWAES-UHFFFAOYSA-N 1 0 356.220 2.240 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000261550441 672899537 /nfs/dbraw/zinc/89/95/37/672899537.db2.gz NEHYSHJUOOWEKN-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593535182 672936239 /nfs/dbraw/zinc/93/62/39/672936239.db2.gz KAICYMHBWIATNG-BETUJISGSA-N 1 0 370.475 2.025 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593730196 672983974 /nfs/dbraw/zinc/98/39/74/672983974.db2.gz FKFLRABNGKTHQB-IUODEOHRSA-N 1 0 355.460 2.295 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1C ZINC000593730960 672984468 /nfs/dbraw/zinc/98/44/68/672984468.db2.gz PMQYWLGICJYVLT-GXTWGEPZSA-N 1 0 355.460 2.350 20 5 FEBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000593882009 673004118 /nfs/dbraw/zinc/00/41/18/673004118.db2.gz BAUUXKPGWFTBKZ-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000593919644 673008485 /nfs/dbraw/zinc/00/84/85/673008485.db2.gz WJDRQDQOKVBWBM-RLCCDNCMSA-N 1 0 351.378 2.235 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000594106354 673031784 /nfs/dbraw/zinc/03/17/84/673031784.db2.gz UHQXNRMIPURXPR-TXEJJXNPSA-N 1 0 351.403 2.072 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750480 673129053 /nfs/dbraw/zinc/12/90/53/673129053.db2.gz JCSOFTLWBDUYNB-BETUJISGSA-N 1 0 370.475 2.025 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594800555 673147620 /nfs/dbraw/zinc/14/76/20/673147620.db2.gz GVAWDWMAOIPXBP-JTQLQIEISA-N 1 0 361.851 2.399 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(O)CCC(F)(F)CC1)OCCO2 ZINC000595000805 673185206 /nfs/dbraw/zinc/18/52/06/673185206.db2.gz PCOLAUYEHWQTFC-UHFFFAOYSA-N 1 0 358.341 2.396 20 5 FEBDRO Cc1sc(C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000613078361 676110157 /nfs/dbraw/zinc/11/01/57/676110157.db2.gz MEIAQZWGEWUWEL-OKILXGFUSA-N 1 0 366.487 2.253 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000595109798 673194737 /nfs/dbraw/zinc/19/47/37/673194737.db2.gz QNKMGBSLTRVNRP-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595112508 673195048 /nfs/dbraw/zinc/19/50/48/673195048.db2.gz CMFPVVZREJFVST-RISCZKNCSA-N 1 0 355.460 2.350 20 5 FEBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c([N+](=O)[O-])c1 ZINC000595118209 673196632 /nfs/dbraw/zinc/19/66/32/673196632.db2.gz LISTZOCYYLVGDQ-TZMCWYRMSA-N 1 0 371.459 2.132 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000595229095 673211764 /nfs/dbraw/zinc/21/17/64/673211764.db2.gz QSCRSVYEMHQGSJ-SCZZXKLOSA-N 1 0 359.329 2.014 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1OC ZINC000595258491 673214392 /nfs/dbraw/zinc/21/43/92/673214392.db2.gz NXWUYJRMJSEOHS-NEPJUHHUSA-N 1 0 351.403 2.202 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595345960 673228826 /nfs/dbraw/zinc/22/88/26/673228826.db2.gz REJZMVUMEGRCIA-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000595411755 673246154 /nfs/dbraw/zinc/24/61/54/673246154.db2.gz SSJCUPISKAJEEM-INIZCTEOSA-N 1 0 367.471 2.136 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000596298629 673375358 /nfs/dbraw/zinc/37/53/58/673375358.db2.gz JWCONAMCVDMUFH-XBXGTLAGSA-N 1 0 370.475 2.035 20 5 FEBDRO CNS(=O)(=O)c1ccc(N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596487202 673389281 /nfs/dbraw/zinc/38/92/81/673389281.db2.gz FITGIPFZZNXPKD-ZDUSSCGKSA-N 1 0 370.475 2.035 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000733165707 673401361 /nfs/dbraw/zinc/40/13/61/673401361.db2.gz DRSKWDWFUXEHBV-OAHLLOKOSA-N 1 0 351.403 2.088 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246813 673481115 /nfs/dbraw/zinc/48/11/15/673481115.db2.gz QWQXONWCFPIPML-ZYHUDNBSSA-N 1 0 356.329 2.104 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CCOCC2)C1 ZINC000597710867 673501385 /nfs/dbraw/zinc/50/13/85/673501385.db2.gz XPDRTIDXYAFMMW-HNNXBMFYSA-N 1 0 365.455 2.010 20 5 FEBDRO CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597947443 673522649 /nfs/dbraw/zinc/52/26/49/673522649.db2.gz YIYGOBZTZSWVCZ-AWEZNQCLSA-N 1 0 367.471 2.389 20 5 FEBDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540144805 673525721 /nfs/dbraw/zinc/52/57/21/673525721.db2.gz PSMOLNPZGMAKNA-JKSUJKDBSA-N 1 0 355.460 2.287 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598572892 673584921 /nfs/dbraw/zinc/58/49/21/673584921.db2.gz MLDYWJWMNOPHBK-OAHLLOKOSA-N 1 0 367.471 2.403 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598604914 673588930 /nfs/dbraw/zinc/58/89/30/673588930.db2.gz CLBVNWATCSWIBN-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543176605 673630462 /nfs/dbraw/zinc/63/04/62/673630462.db2.gz HEEJBRWVZSCTCW-UONOGXRCSA-N 1 0 355.460 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000543183455 673631501 /nfs/dbraw/zinc/63/15/01/673631501.db2.gz QMTJEXPBERYUBA-QGZVFWFLSA-N 1 0 368.455 2.260 20 5 FEBDRO NS(=O)(=O)c1cccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127983 673635174 /nfs/dbraw/zinc/63/51/74/673635174.db2.gz SZECFNNZJABKGZ-CYBMUJFWSA-N 1 0 368.459 2.061 20 5 FEBDRO C[C@@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccsc1 ZINC000740899507 673660184 /nfs/dbraw/zinc/66/01/84/673660184.db2.gz BPYIULKHJSOWLD-MRXNPFEDSA-N 1 0 350.396 2.425 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000543683841 673661672 /nfs/dbraw/zinc/66/16/72/673661672.db2.gz HCIZYNGRGNGWFH-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO CC[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[NH+](CC)CC ZINC000741033077 673667128 /nfs/dbraw/zinc/66/71/28/673667128.db2.gz MRUONFKROPXHTD-AWEZNQCLSA-N 1 0 355.366 2.336 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599412461 673671916 /nfs/dbraw/zinc/67/19/16/673671916.db2.gz JDFLNDXMPROQPC-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC000543831003 673673097 /nfs/dbraw/zinc/67/30/97/673673097.db2.gz DNROJEBFZGRMRH-ZDUSSCGKSA-N 1 0 355.341 2.362 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599464620 673678716 /nfs/dbraw/zinc/67/87/16/673678716.db2.gz OKJPUZUKDCTIOW-CQSZACIVSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599542970 673689732 /nfs/dbraw/zinc/68/97/32/673689732.db2.gz ILIXFFOAYFPBTL-MRXNPFEDSA-N 1 0 350.415 2.227 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CCCCO)CC1 ZINC000741749061 673696378 /nfs/dbraw/zinc/69/63/78/673696378.db2.gz MMWMMINLCSBWCP-UHFFFAOYSA-N 1 0 358.236 2.252 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000544598643 673719806 /nfs/dbraw/zinc/71/98/06/673719806.db2.gz HYBTWESXTUUMRH-UHFFFAOYSA-N 1 0 360.395 2.035 20 5 FEBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000545473771 673771598 /nfs/dbraw/zinc/77/15/98/673771598.db2.gz WMYHJMJWBCRFFX-INIZCTEOSA-N 1 0 363.801 2.313 20 5 FEBDRO COc1cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600777461 673798279 /nfs/dbraw/zinc/79/82/79/673798279.db2.gz UJODETCHLNNXFY-ZYHUDNBSSA-N 1 0 359.373 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601297768 673839401 /nfs/dbraw/zinc/83/94/01/673839401.db2.gz DHRZXWDLMJNZIK-UHFFFAOYSA-N 1 0 361.489 2.458 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601351786 673846594 /nfs/dbraw/zinc/84/65/94/673846594.db2.gz OWCQJIIZZNTDIJ-JQWIXIFHSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356304 673847094 /nfs/dbraw/zinc/84/70/94/673847094.db2.gz MVOSGGMSPLDDSJ-RYUDHWBXSA-N 1 0 359.423 2.146 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601537291 673879110 /nfs/dbraw/zinc/87/91/10/673879110.db2.gz CGYHNRFRAMQIAO-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000602527856 673907385 /nfs/dbraw/zinc/90/73/85/673907385.db2.gz HNUQNDFWTLSWLO-YMTOWFKASA-N 1 0 354.204 2.311 20 5 FEBDRO C[NH2+]CCOCCN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000602547477 673908088 /nfs/dbraw/zinc/90/80/88/673908088.db2.gz YZJVKOUHJDWRCK-UHFFFAOYSA-N 1 0 364.427 2.026 20 5 FEBDRO COc1cc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891734 673913228 /nfs/dbraw/zinc/91/32/28/673913228.db2.gz OKWJRODJJBOHEF-RDJZCZTQSA-N 1 0 350.415 2.403 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000603383314 673928046 /nfs/dbraw/zinc/92/80/46/673928046.db2.gz NEPCHIWAMZADOV-UHFFFAOYSA-N 1 0 353.444 2.010 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818522485 675222856 /nfs/dbraw/zinc/22/28/56/675222856.db2.gz XPFNCZWVZBEXSG-DGCLKSJQSA-N 1 0 350.375 2.367 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H]1CC[NH2+]C1 ZINC000818544499 675224683 /nfs/dbraw/zinc/22/46/83/675224683.db2.gz DPYRQRFDKSUEAN-LBPRGKRZSA-N 1 0 350.375 2.334 20 5 FEBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819184082 675267710 /nfs/dbraw/zinc/26/77/10/675267710.db2.gz AIHJVVAGKHARGP-WFASDCNBSA-N 1 0 353.419 2.379 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819210310 675270178 /nfs/dbraw/zinc/27/01/78/675270178.db2.gz BZEMYYTVQXKNCU-KRWDZBQOSA-N 1 0 364.423 2.212 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000567501154 675298516 /nfs/dbraw/zinc/29/85/16/675298516.db2.gz FADHMAFILUFXCJ-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO CCCN(C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000567669173 675310899 /nfs/dbraw/zinc/31/08/99/675310899.db2.gz WGAAZIRXQZSSIF-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000567782852 675322181 /nfs/dbraw/zinc/32/21/81/675322181.db2.gz DPFLUDBGSXRFSK-GDBMZVCRSA-N 1 0 367.471 2.262 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930041 675802039 /nfs/dbraw/zinc/80/20/39/675802039.db2.gz GQNFGQNKVYPEEG-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000619473903 676378900 /nfs/dbraw/zinc/37/89/00/676378900.db2.gz AQXRHCMXURZGQU-UHFFFAOYSA-N 1 0 359.448 2.001 20 5 FEBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000619748011 676392933 /nfs/dbraw/zinc/39/29/33/676392933.db2.gz QRYMOSHCFONQJF-UHFFFAOYSA-N 1 0 365.411 2.025 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000830447862 677040150 /nfs/dbraw/zinc/04/01/50/677040150.db2.gz GOTSDHWDYLRUEX-BZNIZROVSA-N 1 0 366.805 2.188 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000760519305 680691366 /nfs/dbraw/zinc/69/13/66/680691366.db2.gz IWBPZGLGSWBLGQ-JSGCOSHPSA-N 1 0 357.357 2.232 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@@H]21 ZINC000839412573 680752064 /nfs/dbraw/zinc/75/20/64/680752064.db2.gz WOFXVGIZARMCQF-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000762621554 680756198 /nfs/dbraw/zinc/75/61/98/680756198.db2.gz LVSIRXCGDBQITE-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C1 ZINC000839565138 680762206 /nfs/dbraw/zinc/76/22/06/680762206.db2.gz YVGQNYWMWHBQOB-RYUDHWBXSA-N 1 0 372.263 2.244 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)ccc1Br ZINC000839651749 680769074 /nfs/dbraw/zinc/76/90/74/680769074.db2.gz QRFPGUOMUXFFKR-DGCLKSJQSA-N 1 0 359.220 2.234 20 5 FEBDRO C[N@H+](C[C@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653684 680769177 /nfs/dbraw/zinc/76/91/77/680769177.db2.gz BZKKIOBWAWVGFN-QMTHXVAHSA-N 1 0 365.327 2.382 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840827774 680845213 /nfs/dbraw/zinc/84/52/13/680845213.db2.gz MOOGHZJVDPPIDG-UHFFFAOYSA-N 1 0 365.503 2.297 20 5 FEBDRO O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC[NH+]1CCCCC1 ZINC000747682105 679896234 /nfs/dbraw/zinc/89/62/34/679896234.db2.gz IUVSRXLVTXWYKR-UHFFFAOYSA-N 1 0 369.805 2.007 20 5 FEBDRO CCO[C@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831758289 680039316 /nfs/dbraw/zinc/03/93/16/680039316.db2.gz XRFPNZFYRWJFAD-WCQYABFASA-N 1 0 373.837 2.098 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000832690413 680166152 /nfs/dbraw/zinc/16/61/52/680166152.db2.gz GESOGFFYGIWWGA-SKDRFNHKSA-N 1 0 354.204 2.133 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000996442592 680332750 /nfs/dbraw/zinc/33/27/50/680332750.db2.gz YENQWIRTYXRGTO-GDBMZVCRSA-N 1 0 351.834 2.128 20 5 FEBDRO Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000754072108 680334851 /nfs/dbraw/zinc/33/48/51/680334851.db2.gz PITOMHULJWGPJP-UHFFFAOYSA-N 1 0 369.849 2.220 20 5 FEBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754536015 680361793 /nfs/dbraw/zinc/36/17/93/680361793.db2.gz BPHYBNPPQGKWHF-NSHDSACASA-N 1 0 355.778 2.118 20 5 FEBDRO COC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000754542218 680362185 /nfs/dbraw/zinc/36/21/85/680362185.db2.gz UBPVBFPWXGISNA-LBPRGKRZSA-N 1 0 355.778 2.118 20 5 FEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001045437726 680629633 /nfs/dbraw/zinc/62/96/33/680629633.db2.gz ZWKOYHRNGSFMBA-ZIAGYGMSSA-N 1 0 359.417 2.448 20 5 FEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCCc2ccsc2)CC1 ZINC001045437304 680629930 /nfs/dbraw/zinc/62/99/30/680629930.db2.gz MNIDHXDFVCEWJK-HUUCEWRRSA-N 1 0 351.472 2.317 20 5 FEBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C[NH+]1CCCC1 ZINC000841369952 680874985 /nfs/dbraw/zinc/87/49/85/680874985.db2.gz JVXQQDLPQJHNAD-UHFFFAOYSA-N 1 0 353.394 2.446 20 5 FEBDRO C[NH+](C)C1CN(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000841756230 680910578 /nfs/dbraw/zinc/91/05/78/680910578.db2.gz WCRTUTIONGFOAJ-LBPRGKRZSA-N 1 0 364.299 2.293 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000842723108 680962308 /nfs/dbraw/zinc/96/23/08/680962308.db2.gz WZUOPYKOAXOHBS-TVQRCGJNSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769503303 680985210 /nfs/dbraw/zinc/98/52/10/680985210.db2.gz XFHTZZUQALAZEU-LBPRGKRZSA-N 1 0 372.263 2.246 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000843064119 680985336 /nfs/dbraw/zinc/98/53/36/680985336.db2.gz VXZGFDQWGNEDHY-GUYCJALGSA-N 1 0 364.423 2.080 20 5 FEBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC[NH+]1CCCCC1 ZINC000770369883 681014032 /nfs/dbraw/zinc/01/40/32/681014032.db2.gz IMNXDDSKMHTPNS-UHFFFAOYSA-N 1 0 369.805 2.007 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000844095143 681038143 /nfs/dbraw/zinc/03/81/43/681038143.db2.gz UIDLPSRHFDXNQH-UHFFFAOYSA-N 1 0 367.833 2.493 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])CCO2 ZINC000844097255 681038459 /nfs/dbraw/zinc/03/84/59/681038459.db2.gz PLMBHHGWFPXUFM-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774170295 681171158 /nfs/dbraw/zinc/17/11/58/681171158.db2.gz YEIWFDTWIUOKNZ-MJBXVCDLSA-N 1 0 351.407 2.095 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000932475315 681251831 /nfs/dbraw/zinc/25/18/31/681251831.db2.gz SEIILZXKAALXTN-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932547729 681262929 /nfs/dbraw/zinc/26/29/29/681262929.db2.gz QQXFSFFDDPJAIS-SECBINFHSA-N 1 0 356.785 2.278 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846686878 681275509 /nfs/dbraw/zinc/27/55/09/681275509.db2.gz BNYPXHCAXRIMBY-KFNAQCHYSA-N 1 0 351.378 2.092 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484429 681395663 /nfs/dbraw/zinc/39/56/63/681395663.db2.gz HVLZMFQWVAZLIF-VZJVUDMVSA-N 1 0 371.821 2.359 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433191 681410966 /nfs/dbraw/zinc/41/09/66/681410966.db2.gz CHBPMYMSGBWAMX-LDYMZIIASA-N 1 0 358.801 2.382 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933678175 681450040 /nfs/dbraw/zinc/45/00/40/681450040.db2.gz YOERLUVHUACELG-RDJZCZTQSA-N 1 0 350.415 2.491 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933678174 681450132 /nfs/dbraw/zinc/45/01/32/681450132.db2.gz YOERLUVHUACELG-NVXWUHKLSA-N 1 0 350.415 2.491 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848792709 681621718 /nfs/dbraw/zinc/62/17/18/681621718.db2.gz BPTPKTQXYJGWKW-ZDUSSCGKSA-N 1 0 350.375 2.194 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849411485 681719956 /nfs/dbraw/zinc/71/99/56/681719956.db2.gz LFPVJRBIVUAZKH-GFCCVEGCSA-N 1 0 373.450 2.441 20 5 FEBDRO C[NH+]1CCC(CCO)(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000935269763 681720392 /nfs/dbraw/zinc/72/03/92/681720392.db2.gz GGPOELSTTJYCDI-UHFFFAOYSA-N 1 0 369.849 2.144 20 5 FEBDRO COc1cc(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1F ZINC000913277199 685474932 /nfs/dbraw/zinc/47/49/32/685474932.db2.gz RPHOFNIUABNEDK-IAGOWNOFSA-N 1 0 351.378 2.156 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935443805 681751322 /nfs/dbraw/zinc/75/13/22/681751322.db2.gz PJDRNRFQZJUHMB-UHFFFAOYSA-N 1 0 371.235 2.106 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000935481359 681759840 /nfs/dbraw/zinc/75/98/40/681759840.db2.gz JZGGJSVFWAVBMI-QWHCGFSZSA-N 1 0 369.849 2.094 20 5 FEBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781599709 681951990 /nfs/dbraw/zinc/95/19/90/681951990.db2.gz JDABOCRHIISYEU-AWEZNQCLSA-N 1 0 352.391 2.138 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000781651825 681957838 /nfs/dbraw/zinc/95/78/38/681957838.db2.gz YJQLQMVFHWMBGX-YPMHNXCESA-N 1 0 350.375 2.035 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914325500 685503983 /nfs/dbraw/zinc/50/39/83/685503983.db2.gz LSRBVQFOKJJBTN-HZPDHXFCSA-N 1 0 364.471 2.016 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000914397288 685506683 /nfs/dbraw/zinc/50/66/83/685506683.db2.gz TWJLXAPXIDXTJH-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000783640003 682161304 /nfs/dbraw/zinc/16/13/04/682161304.db2.gz YEHDSEQKJOHCLJ-QMTHXVAHSA-N 1 0 363.805 2.265 20 5 FEBDRO COc1ccc(OCCOC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000785738089 682322437 /nfs/dbraw/zinc/32/24/37/682322437.db2.gz ZYANBZADVBONEI-BETUJISGSA-N 1 0 352.387 2.398 20 5 FEBDRO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC(=O)OC(C)(C)C ZINC000785863231 682332236 /nfs/dbraw/zinc/33/22/36/682332236.db2.gz TXQAUARUYFEHHA-GFCCVEGCSA-N 1 0 353.423 2.341 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)nn1 ZINC000853016355 682364353 /nfs/dbraw/zinc/36/43/53/682364353.db2.gz ZQDDFSRMVIWPAE-GFCCVEGCSA-N 1 0 352.345 2.424 20 5 FEBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853131592 682380350 /nfs/dbraw/zinc/38/03/50/682380350.db2.gz RCSSCDDDZRFOIP-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO C[C@@H](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000853799428 682471264 /nfs/dbraw/zinc/47/12/64/682471264.db2.gz QJUUEKAIWJWUKN-VIFPVBQESA-N 1 0 351.375 2.343 20 5 FEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000854571905 682566663 /nfs/dbraw/zinc/56/66/63/682566663.db2.gz ZPKGKYOOERYTLC-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000788963693 682570322 /nfs/dbraw/zinc/57/03/22/682570322.db2.gz IUYZAMMFWSSBSJ-LBPRGKRZSA-N 1 0 372.468 2.085 20 5 FEBDRO NC(=O)C1=NO[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000789557546 682616335 /nfs/dbraw/zinc/61/63/35/682616335.db2.gz KEFXAQLJTFORAE-GFCCVEGCSA-N 1 0 360.395 2.043 20 5 FEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765457 682910892 /nfs/dbraw/zinc/91/08/92/682910892.db2.gz HBMWPAASJDTMPZ-IJLUTSLNSA-N 1 0 355.341 2.071 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859221350 683058903 /nfs/dbraw/zinc/05/89/03/683058903.db2.gz JVOGBCQPEWWEPB-GFCCVEGCSA-N 1 0 355.822 2.431 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000926150632 683083304 /nfs/dbraw/zinc/08/33/04/683083304.db2.gz MUHNHUIMTCXUEU-PBHICJAKSA-N 1 0 368.455 2.163 20 5 FEBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859533086 683124129 /nfs/dbraw/zinc/12/41/29/683124129.db2.gz DZGOOGNQYBWCAU-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000922574321 683748416 /nfs/dbraw/zinc/74/84/16/683748416.db2.gz LGZUOYSPLDTZQC-NSHDSACASA-N 1 0 363.336 2.338 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930716672 683775446 /nfs/dbraw/zinc/77/54/46/683775446.db2.gz PNDMYLBLKYFGSL-CABCVRRESA-N 1 0 357.451 2.047 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1 ZINC000930720102 683775958 /nfs/dbraw/zinc/77/59/58/683775958.db2.gz MEDFNTXMKISTAO-IINYFYTJSA-N 1 0 359.220 2.234 20 5 FEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922846909 683791693 /nfs/dbraw/zinc/79/16/93/683791693.db2.gz GWKKAKQSCOGEKE-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO C[NH+](C)C1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865622270 684006222 /nfs/dbraw/zinc/00/62/22/684006222.db2.gz RCQDMSRNMVSPEH-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308473 684243585 /nfs/dbraw/zinc/24/35/85/684243585.db2.gz KBLLXHDEZMYQSZ-LDYMZIIASA-N 1 0 365.814 2.100 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000867308825 684244044 /nfs/dbraw/zinc/24/40/44/684244044.db2.gz NYLCOQSPVNFTPV-PWSUYJOCSA-N 1 0 361.851 2.270 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000867308823 684244097 /nfs/dbraw/zinc/24/40/97/684244097.db2.gz NYLCOQSPVNFTPV-CMPLNLGQSA-N 1 0 361.851 2.270 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000867381036 684264472 /nfs/dbraw/zinc/26/44/72/684264472.db2.gz AMVNARONPACVDF-GJZGRUSLSA-N 1 0 367.446 2.315 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(O)(C[NH+](C)C)CC1 ZINC000931486124 684290831 /nfs/dbraw/zinc/29/08/31/684290831.db2.gz WKMVVBPCBCZVTL-UHFFFAOYSA-N 1 0 351.447 2.271 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000867618460 684332942 /nfs/dbraw/zinc/33/29/42/684332942.db2.gz FCTNFLDVPSVKEG-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923704593 684336297 /nfs/dbraw/zinc/33/62/97/684336297.db2.gz XZQDTEXBSZCYAM-AWEZNQCLSA-N 1 0 367.471 2.385 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000873304276 685107416 /nfs/dbraw/zinc/10/74/16/685107416.db2.gz NCGJCJYUGHCQBX-BJOHPYRUSA-N 1 0 356.329 2.269 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CCO2 ZINC000911596648 685230666 /nfs/dbraw/zinc/23/06/66/685230666.db2.gz XSKKBDAENKISRY-UHFFFAOYSA-N 1 0 371.796 2.324 20 5 FEBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877187661 686337413 /nfs/dbraw/zinc/33/74/13/686337413.db2.gz YBSBKDTYEJVUIM-UHFFFAOYSA-N 1 0 354.204 2.453 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877189571 686338087 /nfs/dbraw/zinc/33/80/87/686338087.db2.gz PNLKHFDCCWOIDX-WCVRRQIGSA-N 1 0 353.806 2.498 20 5 FEBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000877260245 686344538 /nfs/dbraw/zinc/34/45/38/686344538.db2.gz WAUSUHBVWQFWHX-QGZVFWFLSA-N 1 0 353.394 2.336 20 5 FEBDRO CSc1ccc(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877334431 686355956 /nfs/dbraw/zinc/35/59/56/686355956.db2.gz BHUAMPOQJIVVCU-ZDUSSCGKSA-N 1 0 365.455 2.205 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000877373121 686367960 /nfs/dbraw/zinc/36/79/60/686367960.db2.gz OGWBWZVJURBDBE-ZUZCIYMTSA-N 1 0 355.847 2.408 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)Cc3cccc(Cl)c3)C2)c1 ZINC000877811414 686469906 /nfs/dbraw/zinc/46/99/06/686469906.db2.gz JTGKZASSJDLZSD-ZBCRRDGASA-N 1 0 350.806 2.341 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000879272987 686784740 /nfs/dbraw/zinc/78/47/40/686784740.db2.gz FWQHPHJDSFJOEI-WBVHZDCISA-N 1 0 352.337 2.404 20 5 FEBDRO COCC[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879708886 686892865 /nfs/dbraw/zinc/89/28/65/686892865.db2.gz QJJCGNKBSVVXSI-UHFFFAOYSA-N 1 0 371.821 2.314 20 5 FEBDRO COCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000879710748 686893518 /nfs/dbraw/zinc/89/35/18/686893518.db2.gz JTYIYCDLUUXUAL-UHFFFAOYSA-N 1 0 352.387 2.009 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880586380 687063025 /nfs/dbraw/zinc/06/30/25/687063025.db2.gz OYZUOAVMOOHQEE-MRXNPFEDSA-N 1 0 350.415 2.357 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000881936265 687265276 /nfs/dbraw/zinc/26/52/76/687265276.db2.gz ZFKSJGJXMIXVBJ-MNOVXSKESA-N 1 0 361.851 2.318 20 5 FEBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881967201 687272988 /nfs/dbraw/zinc/27/29/88/687272988.db2.gz BYKNQWQOWWWQLR-JTQLQIEISA-N 1 0 361.215 2.154 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000883478705 687643592 /nfs/dbraw/zinc/64/35/92/687643592.db2.gz VRTPWQNYSTYZJS-UHFFFAOYSA-N 1 0 373.862 2.463 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884956016 687973881 /nfs/dbraw/zinc/97/38/81/687973881.db2.gz XPNJHFXWSJKMSO-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000887932211 688522811 /nfs/dbraw/zinc/52/28/11/688522811.db2.gz ZDNAQPFJSNYDLI-BMIGLBTASA-N 1 0 368.231 2.381 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745031 688815188 /nfs/dbraw/zinc/81/51/88/688815188.db2.gz QWDOLJQJEXRCDC-STQMWFEESA-N 1 0 371.796 2.059 20 5 FEBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000890075263 688875474 /nfs/dbraw/zinc/87/54/74/688875474.db2.gz FPCYOCZLEWMKIS-UHFFFAOYSA-N 1 0 367.471 2.141 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894048447 689456273 /nfs/dbraw/zinc/45/62/73/689456273.db2.gz WKQGNLKDDMCSQR-WFASDCNBSA-N 1 0 352.822 2.136 20 5 FEBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000896268637 689845927 /nfs/dbraw/zinc/84/59/27/689845927.db2.gz HCKWSHDYIYNIRC-UHFFFAOYSA-N 1 0 358.324 2.308 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCCN3CCO)c(Br)c1 ZINC000897221089 689990347 /nfs/dbraw/zinc/99/03/47/689990347.db2.gz HCFNEWKXLZMYGX-CABCVRRESA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1OC(F)F ZINC000897221836 689990850 /nfs/dbraw/zinc/99/08/50/689990850.db2.gz PATTZPAJRRRPOC-CHWSQXEVSA-N 1 0 357.357 2.232 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C1C[NH+](C2CCOCC2)C1 ZINC000897332680 690006788 /nfs/dbraw/zinc/00/67/88/690006788.db2.gz MWAHQVFWABVIKS-UHFFFAOYSA-N 1 0 367.833 2.018 20 5 FEBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000897624454 690051764 /nfs/dbraw/zinc/05/17/64/690051764.db2.gz KUHBOYDETVKTNT-ZBEGNZNMSA-N 1 0 355.341 2.284 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898609865 690217750 /nfs/dbraw/zinc/21/77/50/690217750.db2.gz QSAJFQPHPPQHDL-UHFFFAOYSA-N 1 0 368.231 2.206 20 5 FEBDRO O=c1c([N+](=O)[O-])cc(Br)cn1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000899628684 690393414 /nfs/dbraw/zinc/39/34/14/690393414.db2.gz DDSDVPIWAIKHTL-CLYYMRHHSA-N 1 0 356.220 2.440 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000900640937 690541894 /nfs/dbraw/zinc/54/18/94/690541894.db2.gz IKIWNNDRNCXYRN-SNVBAGLBSA-N 1 0 366.219 2.464 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903291539 690878727 /nfs/dbraw/zinc/87/87/27/690878727.db2.gz BZEUCCJLJOTKHG-GFCCVEGCSA-N 1 0 373.500 2.393 20 5 FEBDRO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000903966788 690989987 /nfs/dbraw/zinc/98/99/87/690989987.db2.gz CHFHYCRMPHZUTR-PWSUYJOCSA-N 1 0 359.373 2.192 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905517016 691130706 /nfs/dbraw/zinc/13/07/06/691130706.db2.gz OXMBZNOZDNACDS-MRVWCRGKSA-N 1 0 364.320 2.034 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905518141 691130773 /nfs/dbraw/zinc/13/07/73/691130773.db2.gz XASJENODAOSACZ-GYSYKLTISA-N 1 0 364.320 2.034 20 5 FEBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000905640256 691155309 /nfs/dbraw/zinc/15/53/09/691155309.db2.gz JBZMZJGZTAOYMB-UHFFFAOYSA-N 1 0 370.471 2.411 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906411010 691265192 /nfs/dbraw/zinc/26/51/92/691265192.db2.gz LRSKNGOPRFQDFC-UHFFFAOYSA-N 1 0 369.849 2.362 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906522086 691279554 /nfs/dbraw/zinc/27/95/54/691279554.db2.gz GQNYGJNNIWLMQZ-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000907457882 691487860 /nfs/dbraw/zinc/48/78/60/691487860.db2.gz RWGYGDMLXMIQBZ-CQSZACIVSA-N 1 0 355.460 2.104 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907853624 691570857 /nfs/dbraw/zinc/57/08/57/691570857.db2.gz MGJFJTZOONXGAV-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO CSc1ccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000908586174 691701922 /nfs/dbraw/zinc/70/19/22/691701922.db2.gz YLXGVSXAUZVLAE-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000908589227 691702362 /nfs/dbraw/zinc/70/23/62/691702362.db2.gz ZPQNSGPVWWLZFF-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164867072 721063848 /nfs/dbraw/zinc/06/38/48/721063848.db2.gz HKZBHIGGRHLJQN-IAGOWNOFSA-N 1 0 369.425 2.173 20 5 FEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911990 721529587 /nfs/dbraw/zinc/52/95/87/721529587.db2.gz XYRUOKZXGBTCGO-GOEBONIOSA-N 1 0 373.388 2.174 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164905976 721562634 /nfs/dbraw/zinc/56/26/34/721562634.db2.gz IHQXKDWKIAGPRW-HOCLYGCPSA-N 1 0 373.388 2.174 20 5 FEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)C1 ZINC001165037537 721886778 /nfs/dbraw/zinc/88/67/78/721886778.db2.gz ZBKQCZOZNHUFPT-SNVBAGLBSA-N 1 0 356.810 2.350 20 5 FEBDRO O=[N+]([O-])c1ccc2ncc(N3CC[NH+](CCc4ccccn4)CC3)nc2c1 ZINC001165053840 722009530 /nfs/dbraw/zinc/00/95/30/722009530.db2.gz MJDKJVQXDPYRCJ-UHFFFAOYSA-N 1 0 364.409 2.298 20 5 FEBDRO COc1ccccc1[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000015128538 539612761 /nfs/dbraw/zinc/61/27/61/539612761.db2.gz OBEMFTSJRCIMIY-MRXNPFEDSA-N 1 0 358.398 2.417 20 5 FEBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000026447300 539786234 /nfs/dbraw/zinc/78/62/34/539786234.db2.gz NNOYVEKCOLUVEL-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000041362509 540017750 /nfs/dbraw/zinc/01/77/50/540017750.db2.gz ZWJCDZJESQNWAF-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)C(C)C)cc1OC ZINC000041928507 540040738 /nfs/dbraw/zinc/04/07/38/540040738.db2.gz SDJSCAGTLVELFY-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H](C)[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000041915122 540039761 /nfs/dbraw/zinc/03/97/61/540039761.db2.gz DLXUFHDHVVDXAW-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccsc1 ZINC000045733261 540223865 /nfs/dbraw/zinc/22/38/65/540223865.db2.gz DRQLLTNPKVOXDJ-CYBMUJFWSA-N 1 0 370.456 2.019 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046980835 540281873 /nfs/dbraw/zinc/28/18/73/540281873.db2.gz UGSVVFARBKRQHU-OAHLLOKOSA-N 1 0 371.441 2.482 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047142582 540292295 /nfs/dbraw/zinc/29/22/95/540292295.db2.gz AQFIKZQXNRREHA-ZDUSSCGKSA-N 1 0 363.414 2.376 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052247557 540460504 /nfs/dbraw/zinc/46/05/04/540460504.db2.gz QDIOEXPYDHHMJM-CYBMUJFWSA-N 1 0 370.475 2.166 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052305706 540461786 /nfs/dbraw/zinc/46/17/86/540461786.db2.gz PDQWAVJEVMTGBW-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052931257 540500485 /nfs/dbraw/zinc/50/04/85/540500485.db2.gz NNOBVHMWEZMLAC-HNNXBMFYSA-N 1 0 374.441 2.162 20 5 FEBDRO Cc1c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000057065609 540766153 /nfs/dbraw/zinc/76/61/53/540766153.db2.gz ONGHXHZTBWANFR-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO COc1ccc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000057167016 540774452 /nfs/dbraw/zinc/77/44/52/540774452.db2.gz QXFOLSXAGYZLMZ-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO CC[NH+](CC)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000058866883 540858028 /nfs/dbraw/zinc/85/80/28/540858028.db2.gz IRPPGASWBDNTPZ-UHFFFAOYSA-N 1 0 362.352 2.484 20 5 FEBDRO COCCC[N@H+](CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063550005 541173035 /nfs/dbraw/zinc/17/30/35/541173035.db2.gz IMUUCYPJTASQKF-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065424220 541237416 /nfs/dbraw/zinc/23/74/16/541237416.db2.gz ZVJZMHJCKPQNMK-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000065771602 541259935 /nfs/dbraw/zinc/25/99/35/541259935.db2.gz LUXAYADPDATBPP-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000065479572 541240466 /nfs/dbraw/zinc/24/04/66/541240466.db2.gz RKTUHTUPTRZBTQ-HNNXBMFYSA-N 1 0 363.462 2.426 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000066000906 541277435 /nfs/dbraw/zinc/27/74/35/541277435.db2.gz MOOLNLTYUAHCME-UHFFFAOYSA-N 1 0 359.473 2.295 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000066105996 541282902 /nfs/dbraw/zinc/28/29/02/541282902.db2.gz FHRYCGQGUHFNGK-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000067380123 541452575 /nfs/dbraw/zinc/45/25/75/541452575.db2.gz XWZDOANERWXMHN-UHFFFAOYSA-N 1 0 370.409 2.090 20 5 FEBDRO O=C1[C@@H](N2CCC([NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399503 541457607 /nfs/dbraw/zinc/45/76/07/541457607.db2.gz PEVBNDXXAGBEGF-SFHVURJKSA-N 1 0 358.442 2.260 20 5 FEBDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067419439 541461765 /nfs/dbraw/zinc/46/17/65/541461765.db2.gz BKPDHZAYKWEMKB-OAHLLOKOSA-N 1 0 362.430 2.080 20 5 FEBDRO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628388 541492631 /nfs/dbraw/zinc/49/26/31/541492631.db2.gz QVXHNOCNMVKCBI-WMLDXEAASA-N 1 0 364.446 2.048 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068308686 541574749 /nfs/dbraw/zinc/57/47/49/541574749.db2.gz XGWCWJRHLYRTOM-UHFFFAOYSA-N 1 0 363.414 2.023 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000068902764 541638567 /nfs/dbraw/zinc/63/85/67/541638567.db2.gz LEKGKWJAEPXKRL-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[N@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000068904110 541639011 /nfs/dbraw/zinc/63/90/11/541639011.db2.gz PUOGPNJMDRMGCI-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129489 541661925 /nfs/dbraw/zinc/66/19/25/541661925.db2.gz BLWMFUUCZZJBLQ-SECBINFHSA-N 1 0 361.851 2.318 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069527352 541694097 /nfs/dbraw/zinc/69/40/97/541694097.db2.gz KGQHXWMNFDWCKN-HNNXBMFYSA-N 1 0 362.430 2.010 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[S@](=O)c3ccccc3)C2)nc1 ZINC000072665204 541847073 /nfs/dbraw/zinc/84/70/73/541847073.db2.gz GMYOFUKVVFJEKT-HWRSSNJWSA-N 1 0 360.439 2.284 20 5 FEBDRO O=C1CC2(CN1)CC[NH+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000072696784 541854043 /nfs/dbraw/zinc/85/40/43/541854043.db2.gz HEHPQCARHQTOPT-UHFFFAOYSA-N 1 0 370.409 2.394 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072716585 541856295 /nfs/dbraw/zinc/85/62/95/541856295.db2.gz MSDHPRINCPNJQZ-INIZCTEOSA-N 1 0 367.471 2.088 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072835449 541876936 /nfs/dbraw/zinc/87/69/36/541876936.db2.gz JXRBYNHLOQUTBJ-HNNXBMFYSA-N 1 0 364.446 2.348 20 5 FEBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072983101 541903579 /nfs/dbraw/zinc/90/35/79/541903579.db2.gz XMJZQOHXIQPFII-UHFFFAOYSA-N 1 0 361.402 2.280 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000073462512 541955457 /nfs/dbraw/zinc/95/54/57/541955457.db2.gz CHSGDPZEMBHJBN-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000074320872 542069968 /nfs/dbraw/zinc/06/99/68/542069968.db2.gz VAIMAFWOKGGRHA-LBPRGKRZSA-N 1 0 350.394 2.120 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000076639673 542303958 /nfs/dbraw/zinc/30/39/58/542303958.db2.gz VSQHQVJORWHPFX-OAHLLOKOSA-N 1 0 374.441 2.222 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000077017690 542342136 /nfs/dbraw/zinc/34/21/36/542342136.db2.gz RAMAMFMFDWASEM-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC([NH2+]C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000077008230 542342195 /nfs/dbraw/zinc/34/21/95/542342195.db2.gz WLVDBCBSJMHQBP-UHFFFAOYSA-N 1 0 363.462 2.321 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000047254451 208376762 /nfs/dbraw/zinc/37/67/62/208376762.db2.gz JWVQZDRXGLHQRS-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000078424872 542461251 /nfs/dbraw/zinc/46/12/51/542461251.db2.gz HJHCYGIIUKWWBS-CQSZACIVSA-N 1 0 362.430 2.479 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109028044 132244292 /nfs/dbraw/zinc/24/42/92/132244292.db2.gz GVCLJAXYIMTEAM-HNNXBMFYSA-N 1 0 358.442 2.164 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000029550280 132377929 /nfs/dbraw/zinc/37/79/29/132377929.db2.gz TXPZPOMUAWTJGZ-UHFFFAOYSA-N 1 0 355.398 2.141 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000093962012 542946928 /nfs/dbraw/zinc/94/69/28/542946928.db2.gz PDFIBCHNQNFJFV-UHFFFAOYSA-N 1 0 362.474 2.277 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103451170 543108386 /nfs/dbraw/zinc/10/83/86/543108386.db2.gz FOTNPYMKNHHRCA-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO CCN1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000104103627 543123790 /nfs/dbraw/zinc/12/37/90/543123790.db2.gz UCLGJBMFSKJYCD-UHFFFAOYSA-N 1 0 361.851 2.273 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106097869 543195233 /nfs/dbraw/zinc/19/52/33/543195233.db2.gz BQKKXQNWMJQSKH-HUUCEWRRSA-N 1 0 374.441 2.179 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000111348518 543398252 /nfs/dbraw/zinc/39/82/52/543398252.db2.gz CZQNKPHIPJMCDM-CQSZACIVSA-N 1 0 363.439 2.394 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000112325469 543441531 /nfs/dbraw/zinc/44/15/31/543441531.db2.gz BCRSDZSTJJSTCP-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000113301443 543483340 /nfs/dbraw/zinc/48/33/40/543483340.db2.gz IGJUYIGFZPSFNP-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO Cn1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114400470 543513982 /nfs/dbraw/zinc/51/39/82/543513982.db2.gz AOEOFPCFMLTZRB-ZDUSSCGKSA-N 1 0 357.414 2.019 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC000116922465 543619601 /nfs/dbraw/zinc/61/96/01/543619601.db2.gz SSGQAXWXNUZIFB-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000124816510 543844773 /nfs/dbraw/zinc/84/47/73/543844773.db2.gz ICLYJXIOWBCGBV-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000125157042 543864099 /nfs/dbraw/zinc/86/40/99/543864099.db2.gz RXVPHXYMQPHFHD-BETUJISGSA-N 1 0 350.419 2.183 20 5 FEBDRO C[C@H](C[S@](C)=O)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126387593 543932742 /nfs/dbraw/zinc/93/27/42/543932742.db2.gz UYDQBBCLJXYXCR-OIRASMEMSA-N 1 0 351.428 2.491 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000126686878 543950457 /nfs/dbraw/zinc/95/04/57/543950457.db2.gz TVARKGRSMIOSCM-QMMMGPOBSA-N 1 0 370.196 2.179 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000127571510 544000936 /nfs/dbraw/zinc/00/09/36/544000936.db2.gz XAECFSKCIYYATM-LSDHHAIUSA-N 1 0 373.457 2.052 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000130372347 544148948 /nfs/dbraw/zinc/14/89/48/544148948.db2.gz FXBPAYCWEUJOEC-UHFFFAOYSA-N 1 0 372.429 2.026 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000132137189 544220272 /nfs/dbraw/zinc/22/02/72/544220272.db2.gz IHKFIGLCVBMZNY-HNNXBMFYSA-N 1 0 350.415 2.491 20 5 FEBDRO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@](C)=O ZINC000133352479 544266201 /nfs/dbraw/zinc/26/62/01/544266201.db2.gz UELUKSOVDNMDRO-FNODVLLQSA-N 1 0 350.444 2.242 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134050246 544292517 /nfs/dbraw/zinc/29/25/17/544292517.db2.gz VCMCMVURWJLJHJ-CQSZACIVSA-N 1 0 360.414 2.043 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134458823 544308574 /nfs/dbraw/zinc/30/85/74/544308574.db2.gz FDSWQJLRRRZZMX-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1C ZINC000152916678 544710984 /nfs/dbraw/zinc/71/09/84/544710984.db2.gz OLRRIKOLSCPOKV-HOCLYGCPSA-N 1 0 367.471 2.316 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152938752 544713842 /nfs/dbraw/zinc/71/38/42/544713842.db2.gz IZMIMAWVNWPPTL-OLZOCXBDSA-N 1 0 351.403 2.167 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@H+](C)C1 ZINC000153217126 544747462 /nfs/dbraw/zinc/74/74/62/544747462.db2.gz FHWASWPQFCGZBB-ZDUSSCGKSA-N 1 0 370.247 2.452 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153561520 544791134 /nfs/dbraw/zinc/79/11/34/544791134.db2.gz LROMDNLDZHVBRB-LBPRGKRZSA-N 1 0 350.375 2.286 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000153582762 544794287 /nfs/dbraw/zinc/79/42/87/544794287.db2.gz OTBLJUTUYUAYPJ-AWEZNQCLSA-N 1 0 367.471 2.389 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(OCCCO)CC2)cccc1[N+](=O)[O-] ZINC000154886224 544962635 /nfs/dbraw/zinc/96/26/35/544962635.db2.gz OKXUHPYUKJMPKQ-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000155073904 544985009 /nfs/dbraw/zinc/98/50/09/544985009.db2.gz KEOCBNKJHLFAFG-MRXNPFEDSA-N 1 0 367.471 2.279 20 5 FEBDRO COC(=O)c1cc(C)nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000553067885 674236438 /nfs/dbraw/zinc/23/64/38/674236438.db2.gz LGVLRURXBXNJRD-ZDUSSCGKSA-N 1 0 350.419 2.395 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000553288649 674250507 /nfs/dbraw/zinc/25/05/07/674250507.db2.gz JEBOZYKLVWXPST-GFCCVEGCSA-N 1 0 350.419 2.619 20 5 FEBDRO C[C@@H](C[NH+](C)C)Nc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000553704295 674280351 /nfs/dbraw/zinc/28/03/51/674280351.db2.gz OYMDUICJWMHJIB-JTQLQIEISA-N 1 0 351.794 2.156 20 5 FEBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004648 327667775 /nfs/dbraw/zinc/66/77/75/327667775.db2.gz XJNAHBSTVSSLGG-ABAIWWIYSA-N 1 0 359.386 2.252 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182007280 327756493 /nfs/dbraw/zinc/75/64/93/327756493.db2.gz LXXPKNFYIBJITC-MRXNPFEDSA-N 1 0 362.430 2.256 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183748479 327833641 /nfs/dbraw/zinc/83/36/41/327833641.db2.gz DRXPFUMGAHSFAK-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000184403674 327866068 /nfs/dbraw/zinc/86/60/68/327866068.db2.gz MFKRSJGESUYVGQ-INIZCTEOSA-N 1 0 367.471 2.375 20 5 FEBDRO Cn1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccc(F)cc2)cn1 ZINC000184581047 327873904 /nfs/dbraw/zinc/87/39/04/327873904.db2.gz CANVZUMFZXFJOY-GOSISDBHSA-N 1 0 371.372 2.008 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184738431 327881381 /nfs/dbraw/zinc/88/13/81/327881381.db2.gz NJIJYIOCOBDCAK-UHFFFAOYSA-N 1 0 370.837 2.158 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186649770 327973318 /nfs/dbraw/zinc/97/33/18/327973318.db2.gz KVTMAGUWKIAXNP-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187186869 328007680 /nfs/dbraw/zinc/00/76/80/328007680.db2.gz JXFYKGKEDHQBIA-SCLBCKFNSA-N 1 0 359.430 2.297 20 5 FEBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187587935 328034903 /nfs/dbraw/zinc/03/49/03/328034903.db2.gz AFQWGLJLISUYKV-GOSISDBHSA-N 1 0 365.430 2.417 20 5 FEBDRO CSc1cccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000188185824 328071910 /nfs/dbraw/zinc/07/19/10/328071910.db2.gz NHPWMPIOWLJVPX-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000188262589 328076598 /nfs/dbraw/zinc/07/65/98/328076598.db2.gz UVDZZKXKCSIVBC-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000188825485 328112862 /nfs/dbraw/zinc/11/28/62/328112862.db2.gz GRDNTSXRAKOVIG-OAHLLOKOSA-N 1 0 350.419 2.382 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1C ZINC000189129681 328130149 /nfs/dbraw/zinc/13/01/49/328130149.db2.gz KGYBFECDEAOGCI-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189252718 328137319 /nfs/dbraw/zinc/13/73/19/328137319.db2.gz OULRFNLGOQVZNP-LLVKDONJSA-N 1 0 353.350 2.090 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189346575 328142016 /nfs/dbraw/zinc/14/20/16/328142016.db2.gz XUEJIGSJNFNCPA-WBMJQRKESA-N 1 0 351.403 2.289 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189346599 328142069 /nfs/dbraw/zinc/14/20/69/328142069.db2.gz XUEJIGSJNFNCPA-LRDDRELGSA-N 1 0 351.403 2.289 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000189444816 328148757 /nfs/dbraw/zinc/14/87/57/328148757.db2.gz NZYXSTBTTGYTIY-AWEZNQCLSA-N 1 0 366.462 2.298 20 5 FEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000190024952 328183335 /nfs/dbraw/zinc/18/33/35/328183335.db2.gz MRNTYZGRONDKMZ-RDJZCZTQSA-N 1 0 356.394 2.398 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000190160467 328191678 /nfs/dbraw/zinc/19/16/78/328191678.db2.gz ZZZLDOLFGDEYSM-UHFFFAOYSA-N 1 0 370.837 2.377 20 5 FEBDRO CCc1nc(C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190656557 328222672 /nfs/dbraw/zinc/22/26/72/328222672.db2.gz XBCJTYYQUSHKPW-LBPRGKRZSA-N 1 0 372.429 2.482 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190974705 328243201 /nfs/dbraw/zinc/24/32/01/328243201.db2.gz PYKDRZLAAHCJAY-UHFFFAOYSA-N 1 0 355.460 2.311 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191257297 328257031 /nfs/dbraw/zinc/25/70/31/328257031.db2.gz ASYRGLOQASMEGZ-GUYCJALGSA-N 1 0 370.409 2.341 20 5 FEBDRO CCC(CC)(C[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192700798 328334146 /nfs/dbraw/zinc/33/41/46/328334146.db2.gz YZHYIRANCYGCAL-GFCCVEGCSA-N 1 0 351.403 2.491 20 5 FEBDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000193106244 328357943 /nfs/dbraw/zinc/35/79/43/328357943.db2.gz TUELMSNAXQKFAI-GFCCVEGCSA-N 1 0 374.235 2.292 20 5 FEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000193265116 328365901 /nfs/dbraw/zinc/36/59/01/328365901.db2.gz MLTMWYZAXIOSDB-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194338449 328420445 /nfs/dbraw/zinc/42/04/45/328420445.db2.gz YNQLHYVJEIKNAG-GFCCVEGCSA-N 1 0 360.374 2.323 20 5 FEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080196109 325122414 /nfs/dbraw/zinc/12/24/14/325122414.db2.gz PFFVPBIEFDXYNR-UHFFFAOYSA-N 1 0 364.446 2.360 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088793985 325302657 /nfs/dbraw/zinc/30/26/57/325302657.db2.gz VCLLHTBJRATOIO-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO Cc1nn(CCC(=O)NCC[NH2+]C2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000237872188 328532236 /nfs/dbraw/zinc/53/22/36/328532236.db2.gz BQUYKAQVQLYKTB-UHFFFAOYSA-N 1 0 351.451 2.227 20 5 FEBDRO O=C1Nc2ccccc2C12CCC([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000090538781 325362543 /nfs/dbraw/zinc/36/25/43/325362543.db2.gz LAZZEMSALYTWGT-UHFFFAOYSA-N 1 0 355.398 2.214 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000090589646 325364888 /nfs/dbraw/zinc/36/48/88/325364888.db2.gz FUISCXSMQIGUIW-SFHVURJKSA-N 1 0 357.410 2.030 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCCC1 ZINC000237928332 328534554 /nfs/dbraw/zinc/53/45/54/328534554.db2.gz WSIOYRCOXGJPSW-KRWDZBQOSA-N 1 0 357.414 2.418 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000116601827 326026671 /nfs/dbraw/zinc/02/66/71/326026671.db2.gz KQFOKBDBCZELKI-UHFFFAOYSA-N 1 0 360.458 2.289 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116756842 326031974 /nfs/dbraw/zinc/03/19/74/326031974.db2.gz UHVGKUYOKLBNBM-LBPRGKRZSA-N 1 0 355.822 2.475 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000118113017 326081976 /nfs/dbraw/zinc/08/19/76/326081976.db2.gz BBTNCUGOFRZNLX-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000120679721 326278175 /nfs/dbraw/zinc/27/81/75/326278175.db2.gz GDNDYMGDWZEINT-PWSUYJOCSA-N 1 0 368.821 2.128 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120954587 326302091 /nfs/dbraw/zinc/30/20/91/326302091.db2.gz CGDKQXUJEYFJJM-HZPDHXFCSA-N 1 0 367.471 2.026 20 5 FEBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000121712558 326360228 /nfs/dbraw/zinc/36/02/28/326360228.db2.gz JEUAGCAPZRJLIN-UHFFFAOYSA-N 1 0 361.851 2.104 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121943776 326377143 /nfs/dbraw/zinc/37/71/43/326377143.db2.gz BVJVVNAXGSIWQY-UHFFFAOYSA-N 1 0 363.393 2.007 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122421847 326396085 /nfs/dbraw/zinc/39/60/85/326396085.db2.gz IHHBWEXPUPPJOC-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000122811562 326409939 /nfs/dbraw/zinc/40/99/39/326409939.db2.gz KTQAMLIUXPQUHF-INIZCTEOSA-N 1 0 362.430 2.078 20 5 FEBDRO COc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000124436082 326453807 /nfs/dbraw/zinc/45/38/07/326453807.db2.gz DARKPYXTOPCVRH-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133339233 326607052 /nfs/dbraw/zinc/60/70/52/326607052.db2.gz LSSMJQBCDFSAQL-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136975934 326656841 /nfs/dbraw/zinc/65/68/41/326656841.db2.gz IXQQHROLBBQRGU-APHBUQMISA-N 1 0 359.426 2.225 20 5 FEBDRO O=C(CN1CC[NH+](C2CCCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000141716986 326665042 /nfs/dbraw/zinc/66/50/42/326665042.db2.gz YWDZNUYDINTYPF-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000143140099 326665408 /nfs/dbraw/zinc/66/54/08/326665408.db2.gz LOLKEZFABKWFBG-KRWDZBQOSA-N 1 0 357.414 2.053 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000153954209 326747213 /nfs/dbraw/zinc/74/72/13/326747213.db2.gz CDPJJZQUDGPKBH-OAHLLOKOSA-N 1 0 357.476 2.381 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156292180 326825348 /nfs/dbraw/zinc/82/53/48/326825348.db2.gz BMBGMZXSQBQVQL-NEPJUHHUSA-N 1 0 354.204 2.324 20 5 FEBDRO Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000160157065 326955158 /nfs/dbraw/zinc/95/51/58/326955158.db2.gz ANIAZRNJGVABGM-DLBZAZTESA-N 1 0 361.442 2.401 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163961621 327062005 /nfs/dbraw/zinc/06/20/05/327062005.db2.gz CZEKAOYMEGSLCS-HNNXBMFYSA-N 1 0 369.487 2.131 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165839592 327079131 /nfs/dbraw/zinc/07/91/31/327079131.db2.gz IXFPLZRUCLYGDP-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171809465 327162927 /nfs/dbraw/zinc/16/29/27/327162927.db2.gz TUZOLNYBABWYHA-HNNXBMFYSA-N 1 0 371.441 2.175 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000172018281 327176335 /nfs/dbraw/zinc/17/63/35/327176335.db2.gz ZZJCKXJESJMCMQ-CYBMUJFWSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000173261913 327244904 /nfs/dbraw/zinc/24/49/04/327244904.db2.gz DPTKRTHNMONDTQ-HIFRSBDPSA-N 1 0 355.460 2.254 20 5 FEBDRO CC[C@@H](O)C[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000173457524 327258570 /nfs/dbraw/zinc/25/85/70/327258570.db2.gz IXENDVPWOYGOMT-QGZVFWFLSA-N 1 0 374.441 2.181 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])c1 ZINC000173668462 327275138 /nfs/dbraw/zinc/27/51/38/327275138.db2.gz FYRZEKGFZAGYGJ-UHFFFAOYSA-N 1 0 363.414 2.069 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000173792368 327284261 /nfs/dbraw/zinc/28/42/61/327284261.db2.gz HFHXWTLZSXTJQJ-AWEZNQCLSA-N 1 0 365.430 2.173 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173828179 327287106 /nfs/dbraw/zinc/28/71/06/327287106.db2.gz AAKBMMJSKXQFMR-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000173865073 327289934 /nfs/dbraw/zinc/28/99/34/327289934.db2.gz SRWJRMHWUMHNFZ-LBPRGKRZSA-N 1 0 359.473 2.199 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173925427 327294960 /nfs/dbraw/zinc/29/49/60/327294960.db2.gz KTPHFSBMKCZQAN-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO COc1cccc([C@H](C)[NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174846999 327354945 /nfs/dbraw/zinc/35/49/45/327354945.db2.gz NQVRLSOOABJALK-HNNXBMFYSA-N 1 0 359.430 2.179 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000175559504 327399331 /nfs/dbraw/zinc/39/93/31/327399331.db2.gz ZBULXHXYYPHZDQ-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176695942 327470718 /nfs/dbraw/zinc/47/07/18/327470718.db2.gz ZASNQLJFYYHVES-GJZGRUSLSA-N 1 0 364.446 2.012 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000178209344 327572239 /nfs/dbraw/zinc/57/22/39/327572239.db2.gz VLZOAWBDVQBOAA-UHFFFAOYSA-N 1 0 357.414 2.202 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000178583820 327593692 /nfs/dbraw/zinc/59/36/92/327593692.db2.gz ASANSRSOQZIJPX-QLFBSQMISA-N 1 0 360.458 2.498 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000248621899 328729863 /nfs/dbraw/zinc/72/98/63/328729863.db2.gz NCQZSFBRXASKMC-SCDSUCTJSA-N 1 0 368.231 2.096 20 5 FEBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000261608439 328805144 /nfs/dbraw/zinc/80/51/44/328805144.db2.gz AWXMUPDKILWBRY-LBPRGKRZSA-N 1 0 368.242 2.261 20 5 FEBDRO Cc1nn(CCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c(C)c1[N+](=O)[O-] ZINC000261642580 328808167 /nfs/dbraw/zinc/80/81/67/328808167.db2.gz CHIQFRIEZXREEH-UHFFFAOYSA-N 1 0 361.377 2.222 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261780962 328819123 /nfs/dbraw/zinc/81/91/23/328819123.db2.gz PLOGOLNUJGXMNP-QAPCUYQASA-N 1 0 355.394 2.175 20 5 FEBDRO C[NH2+][C@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000261846113 328823979 /nfs/dbraw/zinc/82/39/79/328823979.db2.gz WUJFAUGTIHMUDI-MRVPVSSYSA-N 1 0 372.212 2.425 20 5 FEBDRO COc1cc(OCC(=O)N(CCC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000262435518 328865810 /nfs/dbraw/zinc/86/58/10/328865810.db2.gz GFIKCUJLZDLQGP-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000262614960 328876539 /nfs/dbraw/zinc/87/65/39/328876539.db2.gz CQKQNNUZRFGPTH-GOSISDBHSA-N 1 0 354.410 2.252 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000262615504 328876598 /nfs/dbraw/zinc/87/65/98/328876598.db2.gz FUOSFWQYBMQERK-KGLIPLIRSA-N 1 0 365.455 2.190 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000264310900 329009165 /nfs/dbraw/zinc/00/91/65/329009165.db2.gz YWEYBAZWQRWSTB-UHFFFAOYSA-N 1 0 372.425 2.090 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264645619 329044171 /nfs/dbraw/zinc/04/41/71/329044171.db2.gz WEURDPCCVYCOEM-CQSZACIVSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000265220315 329103590 /nfs/dbraw/zinc/10/35/90/329103590.db2.gz KOEUWTXCBNOZLC-AWEZNQCLSA-N 1 0 350.419 2.087 20 5 FEBDRO Cn1cc([C@H](O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000266168188 329196670 /nfs/dbraw/zinc/19/66/70/329196670.db2.gz QERFBQGJQBFDSK-OAHLLOKOSA-N 1 0 359.411 2.275 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000266348200 329213701 /nfs/dbraw/zinc/21/37/01/329213701.db2.gz JBSFPERJLMKFSM-CQSZACIVSA-N 1 0 370.400 2.412 20 5 FEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCOCC1 ZINC000266424194 329221619 /nfs/dbraw/zinc/22/16/19/329221619.db2.gz SKBGXSJDIQJZBQ-UHFFFAOYSA-N 1 0 364.402 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)c2nonc21 ZINC000266704391 329251022 /nfs/dbraw/zinc/25/10/22/329251022.db2.gz HSDXIYKPMXQMSC-UHFFFAOYSA-N 1 0 361.402 2.212 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000266713156 329252227 /nfs/dbraw/zinc/25/22/27/329252227.db2.gz JREDNKORTQAKLY-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCSC1 ZINC000267136232 329295457 /nfs/dbraw/zinc/29/54/57/329295457.db2.gz SRJFNPDXDPVNFX-KRWDZBQOSA-N 1 0 364.471 2.336 20 5 FEBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267229143 329304444 /nfs/dbraw/zinc/30/44/44/329304444.db2.gz KQELLWUMTXKZQW-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000267342305 329316940 /nfs/dbraw/zinc/31/69/40/329316940.db2.gz ZZILGXOSVVFBOI-STQMWFEESA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267437878 329327540 /nfs/dbraw/zinc/32/75/40/329327540.db2.gz NXUJMMFVZKACDL-YOEHRIQHSA-N 1 0 371.441 2.127 20 5 FEBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269189433 329494904 /nfs/dbraw/zinc/49/49/04/329494904.db2.gz KANGZIMNNNPWMP-VIFPVBQESA-N 1 0 360.183 2.450 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270243755 329584857 /nfs/dbraw/zinc/58/48/57/329584857.db2.gz OROCOIDYXIVCBN-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000270373418 329595181 /nfs/dbraw/zinc/59/51/81/329595181.db2.gz NHQDHRLWLVNFKZ-QGZVFWFLSA-N 1 0 362.455 2.172 20 5 FEBDRO CS[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1[NH+](C)C ZINC000270671314 329620787 /nfs/dbraw/zinc/62/07/87/329620787.db2.gz RMWOIASFIHTCEY-UONOGXRCSA-N 1 0 363.443 2.122 20 5 FEBDRO COc1cc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc(OC)c1OC ZINC000271831172 329728822 /nfs/dbraw/zinc/72/88/22/329728822.db2.gz XBOVBAGCJQHISL-NSHDSACASA-N 1 0 350.375 2.168 20 5 FEBDRO Cc1c(C(=O)NCC2(C)CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272496008 329785768 /nfs/dbraw/zinc/78/57/68/329785768.db2.gz FWLFTFHXWRLIGG-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379400 329860120 /nfs/dbraw/zinc/86/01/20/329860120.db2.gz HGTKZWXJHMBNDG-CMPLNLGQSA-N 1 0 356.220 2.491 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000273520495 329871424 /nfs/dbraw/zinc/87/14/24/329871424.db2.gz PIXWILVWDMGSMC-HOTGVXAUSA-N 1 0 365.455 2.255 20 5 FEBDRO C[NH+]1CCN(c2ccnc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)c2)CC1 ZINC000273906846 329901390 /nfs/dbraw/zinc/90/13/90/329901390.db2.gz UWPUXFDUUFEFBF-UHFFFAOYSA-N 1 0 366.381 2.459 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000273968477 329906098 /nfs/dbraw/zinc/90/60/98/329906098.db2.gz HHSKAJRQVSJSLS-DGCLKSJQSA-N 1 0 351.403 2.409 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1CC(C)(C)O ZINC000275571066 330064903 /nfs/dbraw/zinc/06/49/03/330064903.db2.gz JMOBNRIAXKHZEA-LBPRGKRZSA-N 1 0 361.398 2.258 20 5 FEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000275860474 330097383 /nfs/dbraw/zinc/09/73/83/330097383.db2.gz TZZJWGJUFXKNOO-MAUKXSAKSA-N 1 0 366.414 2.117 20 5 FEBDRO C[NH+](C)CCc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000275871102 330098289 /nfs/dbraw/zinc/09/82/89/330098289.db2.gz PWENTOSHORJBGV-UHFFFAOYSA-N 1 0 370.409 2.067 20 5 FEBDRO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000294200306 330192226 /nfs/dbraw/zinc/19/22/26/330192226.db2.gz BRUFETWOKUCTRM-UHFFFAOYSA-N 1 0 351.378 2.443 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000364816157 330207125 /nfs/dbraw/zinc/20/71/25/330207125.db2.gz DGRIZGOBXZIDFF-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155877706 545579045 /nfs/dbraw/zinc/57/90/45/545579045.db2.gz RUYKKFOEIPPSAZ-UHFFFAOYSA-N 1 0 367.427 2.081 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000156058359 545596524 /nfs/dbraw/zinc/59/65/24/545596524.db2.gz KHDIYEIQQOEBCK-OAHLLOKOSA-N 1 0 362.430 2.479 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000158423158 545859354 /nfs/dbraw/zinc/85/93/54/545859354.db2.gz LEVCSZOABGJFSX-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000158573862 545873151 /nfs/dbraw/zinc/87/31/51/545873151.db2.gz VBVNWDUAWFUPID-GFCCVEGCSA-N 1 0 371.434 2.371 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160218733 546018902 /nfs/dbraw/zinc/01/89/02/546018902.db2.gz ISJMHUJCFFQIJO-DZGCQCFKSA-N 1 0 367.471 2.038 20 5 FEBDRO [NH3+]C[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000479202256 561184426 /nfs/dbraw/zinc/18/44/26/561184426.db2.gz BLTFTYVPFDLATR-GOSISDBHSA-N 1 0 372.400 2.125 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175083461 546306060 /nfs/dbraw/zinc/30/60/60/546306060.db2.gz UURLAVQFEGAIGS-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(OCC[NH+](CC)CC)CC1 ZINC000480057540 561202208 /nfs/dbraw/zinc/20/22/08/561202208.db2.gz VSNNKDGQQMQSPQ-UHFFFAOYSA-N 1 0 353.467 2.447 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000177098180 546543932 /nfs/dbraw/zinc/54/39/32/546543932.db2.gz DFFWOTGGINIEDX-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000177205868 546569547 /nfs/dbraw/zinc/56/95/47/546569547.db2.gz DVBYBEWPPVXCAJ-NWDGAFQWSA-N 1 0 363.414 2.357 20 5 FEBDRO COc1cc(N2CCN(c3cc[nH+]cc3OC)CC2)c([N+](=O)[O-])cc1F ZINC000481030198 561223343 /nfs/dbraw/zinc/22/33/43/561223343.db2.gz AMIQBWIPPIAEOB-UHFFFAOYSA-N 1 0 362.361 2.473 20 5 FEBDRO Cc1cnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000481181573 561227354 /nfs/dbraw/zinc/22/73/54/561227354.db2.gz NOBZFBATFLGJRI-UHFFFAOYSA-N 1 0 367.413 2.282 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@H]1O ZINC000481357932 561231391 /nfs/dbraw/zinc/23/13/91/561231391.db2.gz HDPXDMUSPLKSNS-CZUORRHYSA-N 1 0 363.414 2.376 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000178944542 546877740 /nfs/dbraw/zinc/87/77/40/546877740.db2.gz KCOJQWGSBZXUEE-CABCVRRESA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000481958887 561246122 /nfs/dbraw/zinc/24/61/22/561246122.db2.gz UJYFKKVOWCLNFV-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000481983972 561246877 /nfs/dbraw/zinc/24/68/77/561246877.db2.gz UIMDEGXJJAYDJB-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505855 546966858 /nfs/dbraw/zinc/96/68/58/546966858.db2.gz YGCQKEKBFPFDPB-AWEZNQCLSA-N 1 0 370.413 2.069 20 5 FEBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C(C)C)cc1 ZINC000179929994 547030053 /nfs/dbraw/zinc/03/00/53/547030053.db2.gz YBFRZKALKPQZRA-GOSISDBHSA-N 1 0 362.430 2.319 20 5 FEBDRO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000482881537 561262074 /nfs/dbraw/zinc/26/20/74/561262074.db2.gz NYPPBMYDWJHGRB-ZDUSSCGKSA-N 1 0 357.863 2.344 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181094561 547248114 /nfs/dbraw/zinc/24/81/14/547248114.db2.gz SXQTXQKHMNTEEW-ZDUSSCGKSA-N 1 0 361.402 2.149 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000181162709 547262042 /nfs/dbraw/zinc/26/20/42/547262042.db2.gz OPNMNGZPTVJOQF-XNJGSVPQSA-N 1 0 360.414 2.029 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181290301 547288140 /nfs/dbraw/zinc/28/81/40/547288140.db2.gz MKPAMSZZBLIWES-HNNXBMFYSA-N 1 0 367.413 2.456 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181349627 547298998 /nfs/dbraw/zinc/29/89/98/547298998.db2.gz ZBNNRJIMPBSJKM-SWLSCSKDSA-N 1 0 373.409 2.412 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000181404564 547308951 /nfs/dbraw/zinc/30/89/51/547308951.db2.gz QPTVGADVVYFRRM-JSGCOSHPSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181469990 547319573 /nfs/dbraw/zinc/31/95/73/547319573.db2.gz IDGZSEGMPHMARF-CYBMUJFWSA-N 1 0 358.398 2.500 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182851035 547561931 /nfs/dbraw/zinc/56/19/31/547561931.db2.gz NUNJJZURVKYPKM-MAUKXSAKSA-N 1 0 360.458 2.203 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204107 547620180 /nfs/dbraw/zinc/62/01/80/547620180.db2.gz MGOHDDHIHXABQA-MNOVXSKESA-N 1 0 360.357 2.450 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000484636769 561301749 /nfs/dbraw/zinc/30/17/49/561301749.db2.gz KKYUROMQIGTPFV-GOEBONIOSA-N 1 0 351.403 2.015 20 5 FEBDRO CN(C(=O)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183860789 547730531 /nfs/dbraw/zinc/73/05/31/547730531.db2.gz KJQWJGUBKUZHRA-AWEZNQCLSA-N 1 0 363.414 2.033 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000484670065 561303079 /nfs/dbraw/zinc/30/30/79/561303079.db2.gz NHOBBTKAYJSKCW-YPMHNXCESA-N 1 0 353.444 2.032 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000184570431 547847923 /nfs/dbraw/zinc/84/79/23/547847923.db2.gz XFOXNBZCJOGMFC-UKRRQHHQSA-N 1 0 355.460 2.087 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nn1 ZINC000184754851 547875270 /nfs/dbraw/zinc/87/52/70/547875270.db2.gz DCVJRNXRCLNELH-UHFFFAOYSA-N 1 0 359.386 2.118 20 5 FEBDRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185299087 547966291 /nfs/dbraw/zinc/96/62/91/547966291.db2.gz YYRUWFTUFOVXKQ-UONOGXRCSA-N 1 0 365.405 2.018 20 5 FEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1CCO ZINC000485421208 561318861 /nfs/dbraw/zinc/31/88/61/561318861.db2.gz YQNAOZIOALSEJO-ZDUSSCGKSA-N 1 0 360.389 2.299 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185489067 547991895 /nfs/dbraw/zinc/99/18/95/547991895.db2.gz DQJMRIYKMZVCRN-TZMCWYRMSA-N 1 0 355.410 2.310 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185527416 547998213 /nfs/dbraw/zinc/99/82/13/547998213.db2.gz BWIVJQAJXSDVDA-QGZVFWFLSA-N 1 0 372.421 2.318 20 5 FEBDRO C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713758 548024267 /nfs/dbraw/zinc/02/42/67/548024267.db2.gz CGMHOIPNDCUPHO-BBRMVZONSA-N 1 0 360.458 2.436 20 5 FEBDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561260 561322569 /nfs/dbraw/zinc/32/25/69/561322569.db2.gz SMBLNVCHBNJQCA-ZYHUDNBSSA-N 1 0 374.363 2.339 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000485594056 561323476 /nfs/dbraw/zinc/32/34/76/561323476.db2.gz UJSVDJLRLRYCAO-LBPRGKRZSA-N 1 0 366.393 2.451 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000485620088 561324163 /nfs/dbraw/zinc/32/41/63/561324163.db2.gz LJQYQZXDRIUQKM-TXEJJXNPSA-N 1 0 371.384 2.031 20 5 FEBDRO Cc1nn(CCC(=O)NCC2(C[NH+](C)C)CCCC2)c(C)c1[N+](=O)[O-] ZINC000185883793 548051499 /nfs/dbraw/zinc/05/14/99/548051499.db2.gz PAIOPXYUAMUBBP-UHFFFAOYSA-N 1 0 351.451 2.036 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185979326 548068550 /nfs/dbraw/zinc/06/85/50/548068550.db2.gz SRSKNFHPHADHTF-CQSZACIVSA-N 1 0 355.460 2.241 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000186099789 548084711 /nfs/dbraw/zinc/08/47/11/548084711.db2.gz WDHLFSNTVKAPGL-SFHVURJKSA-N 1 0 357.410 2.090 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000186163694 548092972 /nfs/dbraw/zinc/09/29/72/548092972.db2.gz JLGYHRAREGLEQY-IDCODDLRSA-N 1 0 372.469 2.237 20 5 FEBDRO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186335715 548121045 /nfs/dbraw/zinc/12/10/45/548121045.db2.gz KTXDGZPNVJIWCZ-INIZCTEOSA-N 1 0 371.441 2.373 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186779190 548191339 /nfs/dbraw/zinc/19/13/39/548191339.db2.gz CAGDMCBGDOXYRM-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000187010567 548239795 /nfs/dbraw/zinc/23/97/95/548239795.db2.gz WWAHWTFSQSVEEH-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2)CC1 ZINC000194022962 548423932 /nfs/dbraw/zinc/42/39/32/548423932.db2.gz SRMGRVHATSAIGW-UHFFFAOYSA-N 1 0 371.397 2.090 20 5 FEBDRO C[C@@]1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1Cc1ccccc1 ZINC000194035964 548426384 /nfs/dbraw/zinc/42/63/84/548426384.db2.gz QESAJOOGAYVKHK-IBGZPJMESA-N 1 0 370.409 2.480 20 5 FEBDRO CSc1cccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000486718715 561355043 /nfs/dbraw/zinc/35/50/43/561355043.db2.gz FAVFCPFLJCIESV-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO CC(C)[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000486633733 561352793 /nfs/dbraw/zinc/35/27/93/561352793.db2.gz VGOAVQCEBIPGAQ-CYBMUJFWSA-N 1 0 361.851 2.209 20 5 FEBDRO Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194754249 548527696 /nfs/dbraw/zinc/52/76/96/548527696.db2.gz UDRKGIOLQFOUCQ-HNNXBMFYSA-N 1 0 354.410 2.429 20 5 FEBDRO Cc1ccc(NCCCNC(=O)c2csc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC000194811563 548535179 /nfs/dbraw/zinc/53/51/79/548535179.db2.gz HJXJBUFPUPFKIZ-UHFFFAOYSA-N 1 0 363.443 2.093 20 5 FEBDRO COc1cc(CCNC(=O)[C@](C)([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000195236243 548600501 /nfs/dbraw/zinc/60/05/01/548600501.db2.gz BBBNKKUWNXLIGV-LJQANCHMSA-N 1 0 373.409 2.145 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195459605 548643585 /nfs/dbraw/zinc/64/35/85/548643585.db2.gz GTAMTTNPMHYDFG-OKILXGFUSA-N 1 0 366.487 2.287 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000195481406 548648317 /nfs/dbraw/zinc/64/83/17/548648317.db2.gz XYWKUXHOYCGARK-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245433044 548917325 /nfs/dbraw/zinc/91/73/25/548917325.db2.gz BOIXEZZZIYZGJT-QAPCUYQASA-N 1 0 360.458 2.364 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487983016 561380693 /nfs/dbraw/zinc/38/06/93/561380693.db2.gz TYNNQPWFCMLIAS-QILLFSRXSA-N 1 0 352.431 2.472 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000245545404 548943719 /nfs/dbraw/zinc/94/37/19/548943719.db2.gz CIBAGQLKNJUDSS-ZWKOTPCHSA-N 1 0 370.409 2.352 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000245990238 549032141 /nfs/dbraw/zinc/03/21/41/549032141.db2.gz WTCBRGZCEIIFII-UONOGXRCSA-N 1 0 361.423 2.022 20 5 FEBDRO CCNC(=O)C1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000488471012 561390414 /nfs/dbraw/zinc/39/04/14/561390414.db2.gz CEQUBYAQDRBDPA-ZDUSSCGKSA-N 1 0 362.430 2.208 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246445326 549134544 /nfs/dbraw/zinc/13/45/44/549134544.db2.gz BOHPKWISTYWBHB-SUMWQHHRSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247217274 549300913 /nfs/dbraw/zinc/30/09/13/549300913.db2.gz XJMNXUDVPWQHNL-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000248342060 549420962 /nfs/dbraw/zinc/42/09/62/549420962.db2.gz JHLKFLMAMMEMHR-UKRRQHHQSA-N 1 0 355.460 2.172 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000248454778 549442896 /nfs/dbraw/zinc/44/28/96/549442896.db2.gz KMELUXVLZOCLBA-AEFFLSMTSA-N 1 0 372.421 2.316 20 5 FEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000248825512 549507568 /nfs/dbraw/zinc/50/75/68/549507568.db2.gz XBIFHGIYYFPQBV-NEPJUHHUSA-N 1 0 350.341 2.063 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249073697 549546068 /nfs/dbraw/zinc/54/60/68/549546068.db2.gz APWNDNUQTJIHSK-UONOGXRCSA-N 1 0 364.446 2.142 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249073699 549546073 /nfs/dbraw/zinc/54/60/73/549546073.db2.gz APWNDNUQTJIHSK-ZIAGYGMSSA-N 1 0 364.446 2.142 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000249227595 549571372 /nfs/dbraw/zinc/57/13/72/549571372.db2.gz VDTXMRBXDQETLM-GJZGRUSLSA-N 1 0 374.441 2.235 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583261 549607450 /nfs/dbraw/zinc/60/74/50/549607450.db2.gz RYMNPCLIEHOITL-ACJLOTCBSA-N 1 0 365.430 2.415 20 5 FEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000261889126 549767032 /nfs/dbraw/zinc/76/70/32/549767032.db2.gz ZLAJELPQBCTSSW-IBGZPJMESA-N 1 0 368.437 2.403 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000263946103 549958647 /nfs/dbraw/zinc/95/86/47/549958647.db2.gz JOXBVUHIIRNWOB-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000268430202 550064158 /nfs/dbraw/zinc/06/41/58/550064158.db2.gz DAUXYPUYFANJIS-UHFFFAOYSA-N 1 0 360.414 2.041 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268577464 550089347 /nfs/dbraw/zinc/08/93/47/550089347.db2.gz SJBOTLUWQOQBKO-KRWDZBQOSA-N 1 0 360.458 2.227 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000268892507 550128123 /nfs/dbraw/zinc/12/81/23/550128123.db2.gz AUOGNBGGGGDYJZ-ZDUSSCGKSA-N 1 0 363.439 2.396 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000269049940 550149169 /nfs/dbraw/zinc/14/91/69/550149169.db2.gz XOFWPPBKBJETKT-DOTOQJQBSA-N 1 0 356.426 2.492 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121253 550157752 /nfs/dbraw/zinc/15/77/52/550157752.db2.gz DBWPSLLWCWILJR-MAUKXSAKSA-N 1 0 356.426 2.492 20 5 FEBDRO C[NH2+][C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269125857 550158136 /nfs/dbraw/zinc/15/81/36/550158136.db2.gz LZBQZLILBSTAHC-NSHDSACASA-N 1 0 360.336 2.236 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493657310 561457566 /nfs/dbraw/zinc/45/75/66/561457566.db2.gz MOTRQHYOHALNKO-NVXWUHKLSA-N 1 0 351.403 2.073 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270785278 550306689 /nfs/dbraw/zinc/30/66/89/550306689.db2.gz VBZDCAGFFBXQTG-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270803580 550308468 /nfs/dbraw/zinc/30/84/68/550308468.db2.gz OAUAGITYTWCIQS-AWEZNQCLSA-N 1 0 357.414 2.065 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000270904528 550319524 /nfs/dbraw/zinc/31/95/24/550319524.db2.gz AGXXCYWBRIMYLE-UHFFFAOYSA-N 1 0 357.414 2.031 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271132525 550343582 /nfs/dbraw/zinc/34/35/82/550343582.db2.gz QKQGVBWTROMUHS-CQSZACIVSA-N 1 0 371.441 2.490 20 5 FEBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271577960 550386750 /nfs/dbraw/zinc/38/67/50/550386750.db2.gz PPGGFRVEPSQLEB-JTQLQIEISA-N 1 0 355.416 2.335 20 5 FEBDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248347 561465680 /nfs/dbraw/zinc/46/56/80/561465680.db2.gz QXANNAAHNVWJKN-YMTOWFKASA-N 1 0 372.219 2.453 20 5 FEBDRO C[C@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000272099431 550422975 /nfs/dbraw/zinc/42/29/75/550422975.db2.gz LBGJSOJCQHAYBT-ZDUSSCGKSA-N 1 0 358.398 2.421 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@H]21 ZINC000272287618 550434533 /nfs/dbraw/zinc/43/45/33/550434533.db2.gz UYMDHVZCULTBQV-ZWNOBZJWSA-N 1 0 361.427 2.156 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272333054 550438248 /nfs/dbraw/zinc/43/82/48/550438248.db2.gz AKOJLTMDAYYHMM-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000272504425 550454213 /nfs/dbraw/zinc/45/42/13/550454213.db2.gz JFNACHLCXBCLEG-LBPRGKRZSA-N 1 0 361.427 2.300 20 5 FEBDRO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272911352 550476405 /nfs/dbraw/zinc/47/64/05/550476405.db2.gz GJGYGZOHPNOABU-AWEZNQCLSA-N 1 0 360.366 2.195 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000273520501 550501564 /nfs/dbraw/zinc/50/15/64/550501564.db2.gz PIXWILVWDMGSMC-JKSUJKDBSA-N 1 0 365.455 2.255 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637508 561473048 /nfs/dbraw/zinc/47/30/48/561473048.db2.gz OVLIGOXUULXBQG-HIFRSBDPSA-N 1 0 352.412 2.028 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273995028 550518536 /nfs/dbraw/zinc/51/85/36/550518536.db2.gz YGBGQIJIASDODL-UHFFFAOYSA-N 1 0 367.421 2.192 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000274448245 550538460 /nfs/dbraw/zinc/53/84/60/550538460.db2.gz UHSVZPMADKELCI-UHFFFAOYSA-N 1 0 374.401 2.077 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000276722544 550589084 /nfs/dbraw/zinc/58/90/84/550589084.db2.gz SQJMMEZYWGBBHT-AWEZNQCLSA-N 1 0 350.346 2.141 20 5 FEBDRO COC(=O)c1cnc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785787 550595620 /nfs/dbraw/zinc/59/56/20/550595620.db2.gz OXFAFAFGRGMTAI-CHWSQXEVSA-N 1 0 366.418 2.078 20 5 FEBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000276916864 550610779 /nfs/dbraw/zinc/61/07/79/550610779.db2.gz KAKVTQOKELUKGR-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000277040555 550625041 /nfs/dbraw/zinc/62/50/41/550625041.db2.gz PBEVCDUPCWPFSS-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277133241 550635687 /nfs/dbraw/zinc/63/56/87/550635687.db2.gz GQJRAGHOXMAPFY-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000277545360 550682677 /nfs/dbraw/zinc/68/26/77/550682677.db2.gz NRGYKSFZUFGQOR-CQSZACIVSA-N 1 0 363.414 2.115 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000495041877 561481527 /nfs/dbraw/zinc/48/15/27/561481527.db2.gz VDTWXQFNNGRTFL-CYBMUJFWSA-N 1 0 367.471 2.500 20 5 FEBDRO CCc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278530578 550796056 /nfs/dbraw/zinc/79/60/56/550796056.db2.gz RPTIDVFSCVEPSV-CQSZACIVSA-N 1 0 361.442 2.483 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278596084 550802367 /nfs/dbraw/zinc/80/23/67/550802367.db2.gz FHRZJUUXDFLMBS-ZDUSSCGKSA-N 1 0 374.445 2.344 20 5 FEBDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278771939 550820254 /nfs/dbraw/zinc/82/02/54/550820254.db2.gz URHQIEYJSZFNTA-UHFFFAOYSA-N 1 0 369.381 2.459 20 5 FEBDRO CN(CCN1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000279372764 550882725 /nfs/dbraw/zinc/88/27/25/550882725.db2.gz SSIXZUGLHVJLFJ-UHFFFAOYSA-N 1 0 372.425 2.326 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000279844697 550935221 /nfs/dbraw/zinc/93/52/21/550935221.db2.gz AULNHBGGTJOLLP-KRWDZBQOSA-N 1 0 351.403 2.169 20 5 FEBDRO CCOc1cc(N2CC[NH+](CC[C@H]3CCOC3=O)CC2)ccc1[N+](=O)[O-] ZINC000280163879 550967016 /nfs/dbraw/zinc/96/70/16/550967016.db2.gz FINOFPSBRCVQIF-AWEZNQCLSA-N 1 0 363.414 2.069 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280246438 550974221 /nfs/dbraw/zinc/97/42/21/550974221.db2.gz BGSMMIDVZRAQRN-RDTXWAMCSA-N 1 0 363.414 2.112 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280337153 550982426 /nfs/dbraw/zinc/98/24/26/550982426.db2.gz HNJCKNCIHNATEP-RDTXWAMCSA-N 1 0 363.414 2.112 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281108713 551064112 /nfs/dbraw/zinc/06/41/12/551064112.db2.gz GDOVWGYLZGHMJQ-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000281296954 551082409 /nfs/dbraw/zinc/08/24/09/551082409.db2.gz YKIHKVWKBLSAQH-WBMJQRKESA-N 1 0 357.414 2.194 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465686 551233335 /nfs/dbraw/zinc/23/33/35/551233335.db2.gz NIZSYUVDOHATOL-VZEFYGNVSA-N 1 0 364.398 2.157 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000498078187 561515653 /nfs/dbraw/zinc/51/56/53/561515653.db2.gz PFPCUSGSIVEUBC-GFCCVEGCSA-N 1 0 358.398 2.310 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H]1c1ccccc1 ZINC000284375108 551535869 /nfs/dbraw/zinc/53/58/69/551535869.db2.gz LMMAGWPOSDGYRQ-DOTOQJQBSA-N 1 0 358.373 2.491 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000498398427 561524079 /nfs/dbraw/zinc/52/40/79/561524079.db2.gz DQIJABVNDTVLOS-GJZGRUSLSA-N 1 0 365.478 2.364 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284650639 551598638 /nfs/dbraw/zinc/59/86/38/551598638.db2.gz WTMHZEXPPBLHKE-ZIAGYGMSSA-N 1 0 356.220 2.267 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284650635 551598744 /nfs/dbraw/zinc/59/87/44/551598744.db2.gz WTMHZEXPPBLHKE-KGLIPLIRSA-N 1 0 356.220 2.267 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000498573644 561529254 /nfs/dbraw/zinc/52/92/54/561529254.db2.gz AXCJJMQEESEWGF-UHFFFAOYSA-N 1 0 355.460 2.293 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000285431331 551755625 /nfs/dbraw/zinc/75/56/25/551755625.db2.gz HHYHYKCRLPPVDB-UHFFFAOYSA-N 1 0 357.476 2.216 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000285458587 551759646 /nfs/dbraw/zinc/75/96/46/551759646.db2.gz ZCCHYLZJDHWDSF-STQMWFEESA-N 1 0 371.434 2.290 20 5 FEBDRO CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285495313 551765274 /nfs/dbraw/zinc/76/52/74/551765274.db2.gz DWARSPJTEANWOV-GFCCVEGCSA-N 1 0 361.851 2.104 20 5 FEBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285518908 551768824 /nfs/dbraw/zinc/76/88/24/551768824.db2.gz OCFJWHWJXXHYJN-MYNUTGAYSA-N 1 0 367.471 2.306 20 5 FEBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888043 551823667 /nfs/dbraw/zinc/82/36/67/551823667.db2.gz JVSLXEFWAMOBBU-UXLLHSPISA-N 1 0 352.431 2.350 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000286049706 551843090 /nfs/dbraw/zinc/84/30/90/551843090.db2.gz ATECMBIVTLYUFJ-SWLSCSKDSA-N 1 0 360.414 2.230 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247893 551865544 /nfs/dbraw/zinc/86/55/44/551865544.db2.gz SBCFOVFFTXUEFA-GXTWGEPZSA-N 1 0 351.403 2.073 20 5 FEBDRO C[C@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000286314472 551872880 /nfs/dbraw/zinc/87/28/80/551872880.db2.gz CZTDKHYNGVJHNR-CQSZACIVSA-N 1 0 369.219 2.051 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286729320 551919726 /nfs/dbraw/zinc/91/97/26/551919726.db2.gz FMFWFCGODQBGEH-NSHDSACASA-N 1 0 350.448 2.037 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733713 551920228 /nfs/dbraw/zinc/92/02/28/551920228.db2.gz OBRRFYZOZWKARN-WMLDXEAASA-N 1 0 367.471 2.026 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286878503 551935896 /nfs/dbraw/zinc/93/58/96/551935896.db2.gz ZEAMPPSDYLREAW-XJKSGUPXSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1OC ZINC000286953708 551944181 /nfs/dbraw/zinc/94/41/81/551944181.db2.gz MSZQEUTUHLYVFI-ZDUSSCGKSA-N 1 0 361.398 2.433 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287752621 552042363 /nfs/dbraw/zinc/04/23/63/552042363.db2.gz TWFGQWZYWSIEOT-ZNMIVQPWSA-N 1 0 364.446 2.061 20 5 FEBDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000288143850 552099261 /nfs/dbraw/zinc/09/92/61/552099261.db2.gz YOEWGVJLPLWZSC-ZDUSSCGKSA-N 1 0 350.419 2.098 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000289764229 552374922 /nfs/dbraw/zinc/37/49/22/552374922.db2.gz VRFROSLPDNIEKR-INIZCTEOSA-N 1 0 359.430 2.298 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000500808007 561583104 /nfs/dbraw/zinc/58/31/04/561583104.db2.gz LIIZSAYAVYERBK-GJZGRUSLSA-N 1 0 369.487 2.320 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290000220 552412276 /nfs/dbraw/zinc/41/22/76/552412276.db2.gz WPQHOHFDPFMLAQ-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCCOC2)c1 ZINC000290008403 552413342 /nfs/dbraw/zinc/41/33/42/552413342.db2.gz YUBRVSNXEMKAMT-NSHDSACASA-N 1 0 362.167 2.468 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290150754 552435283 /nfs/dbraw/zinc/43/52/83/552435283.db2.gz VTFKVICBOUPXGU-CYBMUJFWSA-N 1 0 350.419 2.078 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000290273015 552451905 /nfs/dbraw/zinc/45/19/05/552451905.db2.gz POAKKPCITOFSAW-UHFFFAOYSA-N 1 0 374.441 2.086 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808872 552541843 /nfs/dbraw/zinc/54/18/43/552541843.db2.gz QXUROIIBLIMMFF-CZUORRHYSA-N 1 0 369.425 2.411 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000290928542 552563917 /nfs/dbraw/zinc/56/39/17/552563917.db2.gz YKBAWFFGDNDTFM-KBPBESRZSA-N 1 0 362.430 2.085 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292153324 552698862 /nfs/dbraw/zinc/69/88/62/552698862.db2.gz ISINMOAQTUNOGI-LJQANCHMSA-N 1 0 358.442 2.363 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292171194 552701154 /nfs/dbraw/zinc/70/11/54/552701154.db2.gz PSAPJTMDYFXGQH-DOTOQJQBSA-N 1 0 350.415 2.083 20 5 FEBDRO CC(C)[C@]1(CO)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962700 552775331 /nfs/dbraw/zinc/77/53/31/552775331.db2.gz FVIVYWVQZBEGBX-MAUKXSAKSA-N 1 0 352.431 2.065 20 5 FEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293073894 552786164 /nfs/dbraw/zinc/78/61/64/552786164.db2.gz NHOPMYVMURHAKR-AWEZNQCLSA-N 1 0 360.414 2.474 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293572762 552836719 /nfs/dbraw/zinc/83/67/19/552836719.db2.gz YDZFRCDEJBNVBH-GZMMTYOYSA-N 1 0 372.194 2.320 20 5 FEBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1OC ZINC000294329824 552897512 /nfs/dbraw/zinc/89/75/12/552897512.db2.gz XKUJKNKLJBBYJZ-GOSISDBHSA-N 1 0 363.414 2.170 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294393242 552902702 /nfs/dbraw/zinc/90/27/02/552902702.db2.gz SDSMMPSHVHBOLG-YGRLFVJLSA-N 1 0 362.352 2.091 20 5 FEBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000294778675 552933546 /nfs/dbraw/zinc/93/35/46/552933546.db2.gz GMCJEDPJAVBRQB-AOOOYVTPSA-N 1 0 350.293 2.157 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1O ZINC000295138032 552962445 /nfs/dbraw/zinc/96/24/45/552962445.db2.gz PLCGCTWCMAWMSJ-AWEZNQCLSA-N 1 0 350.346 2.141 20 5 FEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502015574 561610007 /nfs/dbraw/zinc/61/00/07/561610007.db2.gz HLYRDEGOIZLKLZ-CZUORRHYSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039551 561610517 /nfs/dbraw/zinc/61/05/17/561610517.db2.gz CIRRJFNNWQVEKY-KGLIPLIRSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000295399996 553000091 /nfs/dbraw/zinc/00/00/91/553000091.db2.gz SINZRPGPNWEJJZ-YOGCLGLASA-N 1 0 373.862 2.460 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000295988329 553085505 /nfs/dbraw/zinc/08/55/05/553085505.db2.gz KMVJQYUEPKDAKA-AEFFLSMTSA-N 1 0 362.426 2.226 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000297949852 553361415 /nfs/dbraw/zinc/36/14/15/553361415.db2.gz AWKFNMYRMOYXEB-OAHLLOKOSA-N 1 0 359.386 2.492 20 5 FEBDRO C[C@@H]1C[C@@]1([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382529 561640290 /nfs/dbraw/zinc/64/02/90/561640290.db2.gz IMKPTDPHNKTRII-LYRGGWFBSA-N 1 0 350.806 2.331 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000298254616 553404307 /nfs/dbraw/zinc/40/43/07/553404307.db2.gz UQZHMPRKFLMDGX-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CCC1)[C@H](C)CO ZINC000298554624 553439774 /nfs/dbraw/zinc/43/97/74/553439774.db2.gz ONBSVRSJBZOQTL-CYBMUJFWSA-N 1 0 365.430 2.415 20 5 FEBDRO O=C1[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)CCN1c1cccc([N+](=O)[O-])c1 ZINC000503531268 561643948 /nfs/dbraw/zinc/64/39/48/561643948.db2.gz VXWXYGSUCIMQBP-HZSPNIEDSA-N 1 0 355.341 2.450 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113339 553517212 /nfs/dbraw/zinc/51/72/12/553517212.db2.gz ZDRMXGGLAYCDLY-OLZOCXBDSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299145436 553521402 /nfs/dbraw/zinc/52/14/02/553521402.db2.gz QHPSSZBPRCWPCG-KBPBESRZSA-N 1 0 372.429 2.026 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000299167230 553524488 /nfs/dbraw/zinc/52/44/88/553524488.db2.gz XXEDTKFBMOIYHO-HNNXBMFYSA-N 1 0 374.441 2.283 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000299405080 553558884 /nfs/dbraw/zinc/55/88/84/553558884.db2.gz XCNMWWFRSLUJKE-ZDUSSCGKSA-N 1 0 363.414 2.232 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301288948 553639738 /nfs/dbraw/zinc/63/97/38/553639738.db2.gz MWEQLYWUDZYNNE-AWEZNQCLSA-N 1 0 371.441 2.337 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000505335362 561669727 /nfs/dbraw/zinc/66/97/27/561669727.db2.gz KRYTVSLJWGEFBG-UHFFFAOYSA-N 1 0 364.446 2.419 20 5 FEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000302504853 553719282 /nfs/dbraw/zinc/71/92/82/553719282.db2.gz QCLQWSMVEAZZBB-LLVKDONJSA-N 1 0 359.373 2.478 20 5 FEBDRO COC(=O)c1cnc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000302782946 553732636 /nfs/dbraw/zinc/73/26/36/553732636.db2.gz TTXFTJZHULNAFM-UHFFFAOYSA-N 1 0 356.382 2.247 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC[NH+]2CCCCC2)c1C ZINC000302813942 553734078 /nfs/dbraw/zinc/73/40/78/553734078.db2.gz MDVCKZJEKCBJQH-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303088726 553744137 /nfs/dbraw/zinc/74/41/37/553744137.db2.gz YSFGAYYGCPDWIK-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324205475 553771555 /nfs/dbraw/zinc/77/15/55/553771555.db2.gz NZVYMEKBIMYZBO-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000326838410 553783583 /nfs/dbraw/zinc/78/35/83/553783583.db2.gz KQGYAWUIEQHTAH-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000328002256 553792678 /nfs/dbraw/zinc/79/26/78/553792678.db2.gz JLUIJHHYUGIFAF-LLVKDONJSA-N 1 0 365.386 2.375 20 5 FEBDRO Cn1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388695 561727697 /nfs/dbraw/zinc/72/76/97/561727697.db2.gz LKMVEYZVWRDQRO-HOCLYGCPSA-N 1 0 369.425 2.352 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000330435702 554121759 /nfs/dbraw/zinc/12/17/59/554121759.db2.gz MBENPWZAXNBBTQ-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330606544 554145282 /nfs/dbraw/zinc/14/52/82/554145282.db2.gz KRBKSQYGNGOYLE-ZIAGYGMSSA-N 1 0 361.851 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1C ZINC000331382975 554254817 /nfs/dbraw/zinc/25/48/17/554254817.db2.gz BQTPYDQCNHTUBK-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CCO1 ZINC000509055573 561783174 /nfs/dbraw/zinc/78/31/74/561783174.db2.gz HJXICQORAPSOJJ-CYBMUJFWSA-N 1 0 357.414 2.228 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2cccc([N+](=O)[O-])c2)C1 ZINC000509081986 561784250 /nfs/dbraw/zinc/78/42/50/561784250.db2.gz LBPKLDRQMJEVBC-HNNXBMFYSA-N 1 0 367.471 2.160 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000331919397 554346264 /nfs/dbraw/zinc/34/62/64/554346264.db2.gz SZUGRGZTMRRNPK-UHFFFAOYSA-N 1 0 366.487 2.290 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331964744 554354223 /nfs/dbraw/zinc/35/42/23/554354223.db2.gz APVJPNFNXCTMGY-OKILXGFUSA-N 1 0 362.430 2.307 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000332056204 554371305 /nfs/dbraw/zinc/37/13/05/554371305.db2.gz OSYDOFVUMZKWRX-UONOGXRCSA-N 1 0 362.430 2.307 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000332199023 554399457 /nfs/dbraw/zinc/39/94/57/554399457.db2.gz BPBAMMHLGNJYFR-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC(C)(C(=O)N1CC[NH+](CC2CCCCC2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000332301323 554420497 /nfs/dbraw/zinc/42/04/97/554420497.db2.gz QAZCVRAHCOFLJI-UHFFFAOYSA-N 1 0 363.462 2.251 20 5 FEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CC[NH+](C)CC1 ZINC000332383325 554435726 /nfs/dbraw/zinc/43/57/26/554435726.db2.gz HTTKZOSWXNAUJT-CQSZACIVSA-N 1 0 350.438 2.334 20 5 FEBDRO CCOC(=O)c1ccnc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609960736 554444415 /nfs/dbraw/zinc/44/44/15/554444415.db2.gz AXQYBMWKMWHNSW-STQMWFEESA-N 1 0 366.418 2.078 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508728 554458891 /nfs/dbraw/zinc/45/88/91/554458891.db2.gz HAPKHESIZUIDPI-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H]1C[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000510190118 561827707 /nfs/dbraw/zinc/82/77/07/561827707.db2.gz DFHDGFDUGYSFLS-NVXWUHKLSA-N 1 0 371.441 2.208 20 5 FEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000510541697 561838298 /nfs/dbraw/zinc/83/82/98/561838298.db2.gz TVCRGQUHQZHJBQ-KSSFIOAISA-N 1 0 359.430 2.297 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702015 554668232 /nfs/dbraw/zinc/66/82/32/554668232.db2.gz TUMDNNLHEGYWCL-UHFFFAOYSA-N 1 0 373.413 2.225 20 5 FEBDRO Cc1ccc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)cc1[N+](=O)[O-] ZINC000350913119 554821637 /nfs/dbraw/zinc/82/16/37/554821637.db2.gz BYLTVHGJUQFUNK-UHFFFAOYSA-N 1 0 373.413 2.048 20 5 FEBDRO COc1ccc(C[C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408739 554874296 /nfs/dbraw/zinc/87/42/96/554874296.db2.gz YTJHHENMADNXIP-AEFFLSMTSA-N 1 0 374.441 2.116 20 5 FEBDRO COC(=O)c1ccoc1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363152003 555041138 /nfs/dbraw/zinc/04/11/38/555041138.db2.gz PGYQTEKMZJSLPL-UHFFFAOYSA-N 1 0 362.386 2.126 20 5 FEBDRO O=C(CC[NH+]1CCC(NC(=O)C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363191630 555049688 /nfs/dbraw/zinc/04/96/88/555049688.db2.gz AILJMSVARAMREU-UHFFFAOYSA-N 1 0 374.441 2.304 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000363285407 555071087 /nfs/dbraw/zinc/07/10/87/555071087.db2.gz JYLFYUHGUJOGEO-CHWSQXEVSA-N 1 0 354.457 2.004 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363418103 555100428 /nfs/dbraw/zinc/10/04/28/555100428.db2.gz DVSQPNYNKUIVHA-UHFFFAOYSA-N 1 0 368.437 2.356 20 5 FEBDRO Cc1cnn(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000363679185 555162700 /nfs/dbraw/zinc/16/27/00/555162700.db2.gz RZPULYVPAVVVHK-INIZCTEOSA-N 1 0 360.414 2.177 20 5 FEBDRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901238 555209971 /nfs/dbraw/zinc/20/99/71/555209971.db2.gz YVPOWFVLUWHBSY-TZMCWYRMSA-N 1 0 359.386 2.289 20 5 FEBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018958 555234878 /nfs/dbraw/zinc/23/48/78/555234878.db2.gz GZTLOCVPFCDGML-MSOLQXFVSA-N 1 0 374.441 2.399 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000364204466 555269264 /nfs/dbraw/zinc/26/92/64/555269264.db2.gz KWHZOOVOXRBGMQ-SJORKVTESA-N 1 0 359.357 2.066 20 5 FEBDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593336 555347631 /nfs/dbraw/zinc/34/76/31/555347631.db2.gz YMXADXWWIKBGDV-HZPDHXFCSA-N 1 0 373.409 2.191 20 5 FEBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)[N@H+]1C ZINC000513048507 561923617 /nfs/dbraw/zinc/92/36/17/561923617.db2.gz ZUCTXRUGSRLNGQ-BETUJISGSA-N 1 0 358.398 2.073 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(F)cc3F)CC2)n1 ZINC000365519072 555597199 /nfs/dbraw/zinc/59/71/99/555597199.db2.gz VTMCHLUNUNJGPI-HNNXBMFYSA-N 1 0 352.341 2.440 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000366343319 555816651 /nfs/dbraw/zinc/81/66/51/555816651.db2.gz RZQVBPCKWGDACE-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FEBDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388819 555830680 /nfs/dbraw/zinc/83/06/80/555830680.db2.gz LLKQFWASGNFVQD-ZBEGNZNMSA-N 1 0 366.805 2.058 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000514028383 561958386 /nfs/dbraw/zinc/95/83/86/561958386.db2.gz DLUOZTHJOYZYPP-CABCVRRESA-N 1 0 363.462 2.426 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCO[C@@H]3CCCCO3)C2)nc1 ZINC000514082743 561959875 /nfs/dbraw/zinc/95/98/75/561959875.db2.gz JJHKVFXSVKODIZ-WMLDXEAASA-N 1 0 350.419 2.409 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000366697767 555911905 /nfs/dbraw/zinc/91/19/05/555911905.db2.gz RBPWVELKRWFQBO-HUUCEWRRSA-N 1 0 357.414 2.104 20 5 FEBDRO Cc1cc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000366907176 555965327 /nfs/dbraw/zinc/96/53/27/555965327.db2.gz CVXPCIDYHWZTRA-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000367390708 556036300 /nfs/dbraw/zinc/03/63/00/556036300.db2.gz SGZGZUKDIRVILI-CQSZACIVSA-N 1 0 357.414 2.065 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367477352 556061340 /nfs/dbraw/zinc/06/13/40/556061340.db2.gz ZNEOJOAGWZDFSU-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000514816886 561981315 /nfs/dbraw/zinc/98/13/15/561981315.db2.gz PLPZUFKAJPKATB-UHFFFAOYSA-N 1 0 352.410 2.101 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ncccc2C1 ZINC000367859769 556157624 /nfs/dbraw/zinc/15/76/24/556157624.db2.gz QNPFTRHSBLQSKR-UHFFFAOYSA-N 1 0 356.382 2.385 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000367883695 556164346 /nfs/dbraw/zinc/16/43/46/556164346.db2.gz CZQZPOSQLKKEBF-HOCLYGCPSA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000367940222 556178156 /nfs/dbraw/zinc/17/81/56/556178156.db2.gz CWOHMJIHIIAIRY-HZPDHXFCSA-N 1 0 373.384 2.375 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000367963388 556183683 /nfs/dbraw/zinc/18/36/83/556183683.db2.gz QMKDZOUVKUDGPV-HNNXBMFYSA-N 1 0 361.423 2.148 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368140632 556228697 /nfs/dbraw/zinc/22/86/97/556228697.db2.gz BPWZCGVNJHMMKI-LJQANCHMSA-N 1 0 361.445 2.413 20 5 FEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000368385281 556294139 /nfs/dbraw/zinc/29/41/39/556294139.db2.gz NDABWMFFLNHQPW-QGZVFWFLSA-N 1 0 358.442 2.457 20 5 FEBDRO CC(C)[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000368407336 556299023 /nfs/dbraw/zinc/29/90/23/556299023.db2.gz NGWSRLLVDRWETO-WBVHZDCISA-N 1 0 363.462 2.465 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368425997 556305932 /nfs/dbraw/zinc/30/59/32/556305932.db2.gz IOMGSAWROWDNEB-AWEZNQCLSA-N 1 0 369.491 2.030 20 5 FEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368660734 556377114 /nfs/dbraw/zinc/37/71/14/556377114.db2.gz CUKCJGGIFSSOGU-KRWDZBQOSA-N 1 0 361.446 2.227 20 5 FEBDRO CO[C@@](C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638169 562017979 /nfs/dbraw/zinc/01/79/79/562017979.db2.gz UXUONZORHFDNLR-APWZRJJASA-N 1 0 360.410 2.486 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000515737649 562020622 /nfs/dbraw/zinc/02/06/22/562020622.db2.gz ZUFZWABVJZRHAF-OLZOCXBDSA-N 1 0 355.460 2.302 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000369019197 556478024 /nfs/dbraw/zinc/47/80/24/556478024.db2.gz WWDIHFKPNJTZMM-HNNXBMFYSA-N 1 0 353.386 2.209 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000369077234 556498875 /nfs/dbraw/zinc/49/88/75/556498875.db2.gz MGIFOLVIOKSKJQ-ZFWWWQNUSA-N 1 0 373.862 2.449 20 5 FEBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H]1c1cccs1 ZINC000369560302 556631633 /nfs/dbraw/zinc/63/16/33/556631633.db2.gz GBIQADBWCOEUKB-YGRLFVJLSA-N 1 0 361.427 2.255 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000516354953 562040749 /nfs/dbraw/zinc/04/07/49/562040749.db2.gz CONQRLNZDGTYDX-WFASDCNBSA-N 1 0 351.451 2.129 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000516610730 562050345 /nfs/dbraw/zinc/05/03/45/562050345.db2.gz SKXNJPCYIRXSMO-CYBMUJFWSA-N 1 0 372.491 2.377 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370502173 556892590 /nfs/dbraw/zinc/89/25/90/556892590.db2.gz APDMFGZVSDJUSK-MRXNPFEDSA-N 1 0 371.393 2.329 20 5 FEBDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000516919665 562064797 /nfs/dbraw/zinc/06/47/97/562064797.db2.gz QCSIETHAJAXSOC-AWEZNQCLSA-N 1 0 374.235 2.292 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760752 556960498 /nfs/dbraw/zinc/96/04/98/556960498.db2.gz SWZALTFRQCMKNH-IBHATUTGSA-N 1 0 359.426 2.225 20 5 FEBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000370764200 556961206 /nfs/dbraw/zinc/96/12/06/556961206.db2.gz WYNHMTHGVRSEOJ-DOMZBBRYSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927377 557019006 /nfs/dbraw/zinc/01/90/06/557019006.db2.gz IASNJQHMQRMEPH-RDTXWAMCSA-N 1 0 371.441 2.450 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000371610626 557238783 /nfs/dbraw/zinc/23/87/83/557238783.db2.gz DZKDMAVKKBRYDV-HNNXBMFYSA-N 1 0 369.425 2.214 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000371640674 557247684 /nfs/dbraw/zinc/24/76/84/557247684.db2.gz WNBHTGBMROJJAW-UHFFFAOYSA-N 1 0 357.414 2.366 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOC2(CCOCC2)CC1 ZINC000372197650 557406751 /nfs/dbraw/zinc/40/67/51/557406751.db2.gz RHPLQKFVVRAAOW-CQSZACIVSA-N 1 0 363.414 2.193 20 5 FEBDRO CC(C)[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034993 562123764 /nfs/dbraw/zinc/12/37/64/562123764.db2.gz IPOCOYJLKYHJSW-PBHICJAKSA-N 1 0 370.471 2.409 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@H](c3nccn3C)C2)c1 ZINC000372308833 557435610 /nfs/dbraw/zinc/43/56/10/557435610.db2.gz SUKSLXYHGRYLNB-AWEZNQCLSA-N 1 0 358.398 2.422 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000372330123 557442075 /nfs/dbraw/zinc/44/20/75/557442075.db2.gz JSNUYUSIXRZDPV-AWEZNQCLSA-N 1 0 361.358 2.415 20 5 FEBDRO C[N@H+](C[C@@H]1CC12CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000372424592 557467443 /nfs/dbraw/zinc/46/74/43/557467443.db2.gz GEBZYQPGPXBZBN-AWEZNQCLSA-N 1 0 358.442 2.394 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000372544098 557499019 /nfs/dbraw/zinc/49/90/19/557499019.db2.gz JZABASGNSXKWGB-UONOGXRCSA-N 1 0 371.441 2.064 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000372674549 557534895 /nfs/dbraw/zinc/53/48/95/557534895.db2.gz MCFHHWZLHZVLNT-XHDPSFHLSA-N 1 0 369.368 2.104 20 5 FEBDRO C[C@@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975387 557601215 /nfs/dbraw/zinc/60/12/15/557601215.db2.gz MNDJMADTSWCNLE-HOCLYGCPSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975390 557601222 /nfs/dbraw/zinc/60/12/22/557601222.db2.gz MNDJMADTSWCNLE-ZBFHGGJFSA-N 1 0 350.415 2.226 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373154635 557639957 /nfs/dbraw/zinc/63/99/57/557639957.db2.gz SYUVYPPUMQLBGH-LBPRGKRZSA-N 1 0 361.427 2.300 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929125 557789137 /nfs/dbraw/zinc/78/91/37/557789137.db2.gz LPRXCZYLDDCZSM-KGLIPLIRSA-N 1 0 355.398 2.137 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000374222934 557846216 /nfs/dbraw/zinc/84/62/16/557846216.db2.gz JTZUPHDXZUDTII-UHFFFAOYSA-N 1 0 363.414 2.329 20 5 FEBDRO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCN1 ZINC000374376703 557874236 /nfs/dbraw/zinc/87/42/36/557874236.db2.gz XYQGOXPORNUYIF-HNNXBMFYSA-N 1 0 371.393 2.399 20 5 FEBDRO C[NH+](C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccn1 ZINC000521063785 562168977 /nfs/dbraw/zinc/16/89/77/562168977.db2.gz ZMURDMSKHXHKAO-UHFFFAOYSA-N 1 0 354.414 2.430 20 5 FEBDRO Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000374758593 557926775 /nfs/dbraw/zinc/92/67/75/557926775.db2.gz HFLKXQOQGIEMIC-CABCVRRESA-N 1 0 354.414 2.210 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](c2ccccc2)C1 ZINC000374767219 557928128 /nfs/dbraw/zinc/92/81/28/557928128.db2.gz NQCFJORONNKHND-BBRMVZONSA-N 1 0 358.373 2.144 20 5 FEBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850213 557940583 /nfs/dbraw/zinc/94/05/83/557940583.db2.gz KVBGPXUPSKFCFU-FUHWJXTLSA-N 1 0 371.441 2.405 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010347 557963849 /nfs/dbraw/zinc/96/38/49/557963849.db2.gz APZYLWIHIHNSGP-SOLBZPMBSA-N 1 0 364.442 2.473 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375035238 557967799 /nfs/dbraw/zinc/96/77/99/557967799.db2.gz BXPFKNRFCHMNCB-XHDPSFHLSA-N 1 0 373.862 2.271 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000375270880 558002148 /nfs/dbraw/zinc/00/21/48/558002148.db2.gz ABKIHFJOJNSHPE-INIZCTEOSA-N 1 0 350.415 2.227 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375291629 558005203 /nfs/dbraw/zinc/00/52/03/558005203.db2.gz IJGWPCROIWUGOS-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000521620320 562180519 /nfs/dbraw/zinc/18/05/19/562180519.db2.gz FYMBKNGRZMCUTL-YXJHDRRASA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000521691643 562182287 /nfs/dbraw/zinc/18/22/87/562182287.db2.gz PZAHAFJVKHTFGQ-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521904559 562186144 /nfs/dbraw/zinc/18/61/44/562186144.db2.gz VTCUPTVOKRFACT-BETUJISGSA-N 1 0 351.451 2.368 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000521943325 562187079 /nfs/dbraw/zinc/18/70/79/562187079.db2.gz VTQRPBFKDRQOSS-CQSZACIVSA-N 1 0 357.476 2.177 20 5 FEBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000377119640 558270263 /nfs/dbraw/zinc/27/02/63/558270263.db2.gz KPNBSEOQPWFNOQ-COXVUDFISA-N 1 0 363.414 2.192 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1C ZINC000377283908 558306271 /nfs/dbraw/zinc/30/62/71/558306271.db2.gz WBWTVZSWABMAIM-ZBFHGGJFSA-N 1 0 353.444 2.104 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000377411490 558335592 /nfs/dbraw/zinc/33/55/92/558335592.db2.gz LNFKTIQLXISASP-HKUYNNGSSA-N 1 0 355.442 2.434 20 5 FEBDRO Cc1nn(CCC(=O)NCCCC[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000522475119 562199077 /nfs/dbraw/zinc/19/90/77/562199077.db2.gz KCFUPSWVORKDBV-UHFFFAOYSA-N 1 0 365.478 2.427 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377841405 558432963 /nfs/dbraw/zinc/43/29/63/558432963.db2.gz AREMPJDNTHOCJG-LLVKDONJSA-N 1 0 356.810 2.169 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378102208 558481659 /nfs/dbraw/zinc/48/16/59/558481659.db2.gz KADNTNKMFYLFNL-HNNXBMFYSA-N 1 0 352.398 2.366 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000378253882 558512599 /nfs/dbraw/zinc/51/25/99/558512599.db2.gz SBEOSODUPDEYPK-YOGCLGLASA-N 1 0 359.835 2.281 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303266 558524470 /nfs/dbraw/zinc/52/44/70/558524470.db2.gz CIPSJWACQMXROL-SJORKVTESA-N 1 0 371.441 2.012 20 5 FEBDRO COc1ccc(S(=O)(=O)[N-]c2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000523458381 562213514 /nfs/dbraw/zinc/21/35/14/562213514.db2.gz ASNRRXXBOJUCOE-UHFFFAOYSA-N 1 0 362.367 2.360 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000405203647 558632394 /nfs/dbraw/zinc/63/23/94/558632394.db2.gz CDABYPMLHRRGHX-ZYHUDNBSSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000411211568 558853968 /nfs/dbraw/zinc/85/39/68/558853968.db2.gz IGTFEKAMGUVCQT-CQSZACIVSA-N 1 0 374.441 2.283 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000411301682 558872379 /nfs/dbraw/zinc/87/23/79/558872379.db2.gz DXADQIRJJQPWIO-ZDUSSCGKSA-N 1 0 364.446 2.243 20 5 FEBDRO O=C(CC[N@@H+](CCO)[C@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411660191 558938154 /nfs/dbraw/zinc/93/81/54/558938154.db2.gz ALUCBGGELATIKY-HNNXBMFYSA-N 1 0 353.444 2.113 20 5 FEBDRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000411782028 558961916 /nfs/dbraw/zinc/96/19/16/558961916.db2.gz HQRKZUWJINLRTH-UHFFFAOYSA-N 1 0 362.430 2.304 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1F ZINC000412175317 559018392 /nfs/dbraw/zinc/01/83/92/559018392.db2.gz YWRBNSIZBKRYDJ-NEPJUHHUSA-N 1 0 353.394 2.274 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1F ZINC000412190403 559019207 /nfs/dbraw/zinc/01/92/07/559019207.db2.gz ZUEMHSXHYJUJNC-CYBMUJFWSA-N 1 0 367.421 2.379 20 5 FEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328561 559028173 /nfs/dbraw/zinc/02/81/73/559028173.db2.gz CCEFNYDNQWCGHU-WCQYABFASA-N 1 0 361.402 2.484 20 5 FEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000413245264 559091484 /nfs/dbraw/zinc/09/14/84/559091484.db2.gz JGOHVMXGKCHWPB-SNVBAGLBSA-N 1 0 362.352 2.290 20 5 FEBDRO COCC(COC)[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000413471167 559110374 /nfs/dbraw/zinc/11/03/74/559110374.db2.gz DWWKYIPXVGILKB-UHFFFAOYSA-N 1 0 374.441 2.235 20 5 FEBDRO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1Cc1ccccc1 ZINC000413535281 559114885 /nfs/dbraw/zinc/11/48/85/559114885.db2.gz SVGLDELSZURWRH-CQSZACIVSA-N 1 0 352.398 2.348 20 5 FEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000413966058 559143914 /nfs/dbraw/zinc/14/39/14/559143914.db2.gz YGXPPKQFYSCGGT-UHFFFAOYSA-N 1 0 374.397 2.500 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000413990490 559145428 /nfs/dbraw/zinc/14/54/28/559145428.db2.gz OWXQWLWZLUDQBH-NVXWUHKLSA-N 1 0 372.425 2.190 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000414731740 559182961 /nfs/dbraw/zinc/18/29/61/559182961.db2.gz HVGJQJBQHCAVDH-UHFFFAOYSA-N 1 0 370.409 2.301 20 5 FEBDRO COc1cc(CN2CC[NH2+]C[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414766143 559186338 /nfs/dbraw/zinc/18/63/38/559186338.db2.gz DBAQSGVBHWWLBR-OAHLLOKOSA-N 1 0 363.336 2.338 20 5 FEBDRO COc1cc(CN[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414870307 559191976 /nfs/dbraw/zinc/19/19/76/559191976.db2.gz SFVWPXMZNVQUGA-NSHDSACASA-N 1 0 363.336 2.386 20 5 FEBDRO Cn1cc(CN[C@@H](CC[NH3+])C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415062576 559203293 /nfs/dbraw/zinc/20/32/93/559203293.db2.gz YPNJYQRWBISJKL-ZDUSSCGKSA-N 1 0 357.336 2.365 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000415169094 559211277 /nfs/dbraw/zinc/21/12/77/559211277.db2.gz JWGAQLGNVVULLD-UHFFFAOYSA-N 1 0 370.409 2.268 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000415554809 559249084 /nfs/dbraw/zinc/24/90/84/559249084.db2.gz SVGXHOCCECIZBI-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415597354 559254072 /nfs/dbraw/zinc/25/40/72/559254072.db2.gz JIVZQBQMSWFIDY-RYUDHWBXSA-N 1 0 364.402 2.281 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000415704572 559263815 /nfs/dbraw/zinc/26/38/15/559263815.db2.gz SFYUFUDAIGPAPC-SECBINFHSA-N 1 0 367.150 2.461 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416374562 559308275 /nfs/dbraw/zinc/30/82/75/559308275.db2.gz UBJXLUYGVYFBHV-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416505514 559318501 /nfs/dbraw/zinc/31/85/01/559318501.db2.gz DJNAVGYHUWDSSZ-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416884517 559336519 /nfs/dbraw/zinc/33/65/19/559336519.db2.gz KWGMRELLRNEEED-BDAKNGLRSA-N 1 0 363.340 2.060 20 5 FEBDRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319369 559357274 /nfs/dbraw/zinc/35/72/74/559357274.db2.gz BYSRZNQGWSJHAJ-FUHWJXTLSA-N 1 0 352.431 2.366 20 5 FEBDRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1(O)CCOCC1 ZINC000417382392 559360230 /nfs/dbraw/zinc/36/02/30/559360230.db2.gz NTKJBGXFJUBZTK-LSDHHAIUSA-N 1 0 366.462 2.432 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417387350 559360390 /nfs/dbraw/zinc/36/03/90/559360390.db2.gz NJPGSVISGDCYOU-AAEUAGOBSA-N 1 0 356.373 2.241 20 5 FEBDRO [NH3+][C@@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000418456106 559402397 /nfs/dbraw/zinc/40/23/97/559402397.db2.gz SHWSCHNCUPUVMU-SFHVURJKSA-N 1 0 369.425 2.126 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418603265 559407587 /nfs/dbraw/zinc/40/75/87/559407587.db2.gz WLUJVNGVOWTPJN-GUYCJALGSA-N 1 0 362.430 2.146 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000418612776 559407862 /nfs/dbraw/zinc/40/78/62/559407862.db2.gz VYJXZPNWXFIZNR-ZIAGYGMSSA-N 1 0 362.430 2.288 20 5 FEBDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419398630 559440756 /nfs/dbraw/zinc/44/07/56/559440756.db2.gz IENVSYOLERUODT-MRXNPFEDSA-N 1 0 370.409 2.441 20 5 FEBDRO C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420262722 559478056 /nfs/dbraw/zinc/47/80/56/559478056.db2.gz RWVDWDDXIXMCRW-TZMCWYRMSA-N 1 0 357.414 2.123 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420274351 559478229 /nfs/dbraw/zinc/47/82/29/559478229.db2.gz OJINFSFDIQBKQF-SWLSCSKDSA-N 1 0 350.419 2.134 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420411952 559486546 /nfs/dbraw/zinc/48/65/46/559486546.db2.gz YVJBCSUJYJHYOU-XJKSGUPXSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000420423804 559486983 /nfs/dbraw/zinc/48/69/83/559486983.db2.gz HBKIALSDRXEJJV-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420446198 559487809 /nfs/dbraw/zinc/48/78/09/559487809.db2.gz SXRCHULFLHOUCB-QMMMGPOBSA-N 1 0 355.338 2.019 20 5 FEBDRO [NH3+]CCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000420462538 559488728 /nfs/dbraw/zinc/48/87/28/559488728.db2.gz NBUDTSVROQXVOJ-GFCCVEGCSA-N 1 0 355.441 2.415 20 5 FEBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000421369427 559540222 /nfs/dbraw/zinc/54/02/22/559540222.db2.gz BEOJWAGMMRAZHT-ZIAGYGMSSA-N 1 0 352.387 2.194 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422640044 559599530 /nfs/dbraw/zinc/59/95/30/559599530.db2.gz UQZWQJBHOBFXRE-GRYCIOLGSA-N 1 0 354.838 2.492 20 5 FEBDRO O=C(NC1CC[NH2+]CC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422688456 559602871 /nfs/dbraw/zinc/60/28/71/559602871.db2.gz CZGLJWBGJRNBPJ-UHFFFAOYSA-N 1 0 357.360 2.441 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N(C)[C@H](C[NH3+])C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000423960964 559648116 /nfs/dbraw/zinc/64/81/16/559648116.db2.gz YXSZIAOAOLWJLP-QGZVFWFLSA-N 1 0 371.441 2.266 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000423995310 559649674 /nfs/dbraw/zinc/64/96/74/559649674.db2.gz UYJHKGBEVCZXJA-HNNXBMFYSA-N 1 0 357.366 2.105 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000424008393 559650716 /nfs/dbraw/zinc/65/07/16/559650716.db2.gz HXOJPYOLANKWSV-FUHWJXTLSA-N 1 0 361.442 2.191 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424012583 559651012 /nfs/dbraw/zinc/65/10/12/559651012.db2.gz JTZWAQDZTLZRAD-TZMCWYRMSA-N 1 0 357.414 2.052 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424061567 559653062 /nfs/dbraw/zinc/65/30/62/559653062.db2.gz XOIUDAHOMZVWSJ-NSHDSACASA-N 1 0 353.806 2.370 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424075652 559653901 /nfs/dbraw/zinc/65/39/01/559653901.db2.gz PMCBVJWEZVIVAY-GRYCIOLGSA-N 1 0 358.398 2.294 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000424076017 559653914 /nfs/dbraw/zinc/65/39/14/559653914.db2.gz PWUIKDDQWYQNME-JMSVASOKSA-N 1 0 363.414 2.217 20 5 FEBDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)Cn3ccc([N+](=O)[O-])n3)sc2C1 ZINC000425087422 559686769 /nfs/dbraw/zinc/68/67/69/559686769.db2.gz UVXFLZSNUWRXGK-UHFFFAOYSA-N 1 0 364.431 2.043 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000425478631 559704554 /nfs/dbraw/zinc/70/45/54/559704554.db2.gz CNUDAJJXFWPFSZ-AWEZNQCLSA-N 1 0 364.446 2.408 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000425555261 559709596 /nfs/dbraw/zinc/70/95/96/559709596.db2.gz QEGKSDKLMWZAJC-KRWDZBQOSA-N 1 0 359.426 2.475 20 5 FEBDRO COCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000425954750 559725905 /nfs/dbraw/zinc/72/59/05/559725905.db2.gz XASOBTSPFYZIPL-HUUCEWRRSA-N 1 0 352.435 2.308 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000426371886 559733568 /nfs/dbraw/zinc/73/35/68/559733568.db2.gz NATJJTHGRGXKFQ-LBPRGKRZSA-N 1 0 354.428 2.474 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000427575495 559758205 /nfs/dbraw/zinc/75/82/05/559758205.db2.gz UZYWEPNXVRYNGS-YVEFUNNKSA-N 1 0 371.441 2.184 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988666 559787597 /nfs/dbraw/zinc/78/75/97/559787597.db2.gz AKLUWSOZYNPPCB-CLCXKQKWSA-N 1 0 372.469 2.146 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312174 559795678 /nfs/dbraw/zinc/79/56/78/559795678.db2.gz OHAIYUQPNHNOQU-DGCLKSJQSA-N 1 0 371.393 2.393 20 5 FEBDRO [NH3+]CCN(Cc1cnnn1Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000430077623 559812524 /nfs/dbraw/zinc/81/25/24/559812524.db2.gz IHWDIQDJOUWHEE-UHFFFAOYSA-N 1 0 352.398 2.200 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000430210748 559815388 /nfs/dbraw/zinc/81/53/88/559815388.db2.gz FGCQZPGRTVOAIL-LLVKDONJSA-N 1 0 361.320 2.104 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430694129 559826493 /nfs/dbraw/zinc/82/64/93/559826493.db2.gz JEACGHIBJIGLBR-MRXNPFEDSA-N 1 0 357.414 2.289 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000432864168 559866640 /nfs/dbraw/zinc/86/66/40/559866640.db2.gz LAIRYJHWFHULMN-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CCNC(=O)c2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433115226 559872142 /nfs/dbraw/zinc/87/21/42/559872142.db2.gz IANTWVCJMCDRTD-HNNXBMFYSA-N 1 0 355.398 2.127 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CCNC(=O)c2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433115228 559872306 /nfs/dbraw/zinc/87/23/06/559872306.db2.gz IANTWVCJMCDRTD-OAHLLOKOSA-N 1 0 355.398 2.127 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434752967 559908465 /nfs/dbraw/zinc/90/84/65/559908465.db2.gz ANMXOQZXSOICDQ-KRWDZBQOSA-N 1 0 367.471 2.074 20 5 FEBDRO COc1cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435381314 559921935 /nfs/dbraw/zinc/92/19/35/559921935.db2.gz WAVBLQPLTYTTOT-GHMZBOCLSA-N 1 0 359.373 2.430 20 5 FEBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623052 559926681 /nfs/dbraw/zinc/92/66/81/559926681.db2.gz BNAMQXAZMMUQJT-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319263 559939904 /nfs/dbraw/zinc/93/99/04/559939904.db2.gz DHVQTIRFWBYBRK-KGLIPLIRSA-N 1 0 364.446 2.142 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000440076338 560004325 /nfs/dbraw/zinc/00/43/25/560004325.db2.gz JEWPKWUPDOUEJZ-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000440403544 560010439 /nfs/dbraw/zinc/01/04/39/560010439.db2.gz FIXZNQXUDSBQBP-GMSGAONNSA-N 1 0 368.242 2.259 20 5 FEBDRO COc1ccc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440417724 560010776 /nfs/dbraw/zinc/01/07/76/560010776.db2.gz DWVXTYPOUMMXLY-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000440806071 560018628 /nfs/dbraw/zinc/01/86/28/560018628.db2.gz ZHJRRCNEJKKXMF-SECBINFHSA-N 1 0 367.349 2.034 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C(=O)NCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000441365154 560029877 /nfs/dbraw/zinc/02/98/77/560029877.db2.gz PATGSUBOFUURIF-GTNSWQLSSA-N 1 0 359.382 2.478 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443653117 560089370 /nfs/dbraw/zinc/08/93/70/560089370.db2.gz LHSBLNBSYHKBLW-STQMWFEESA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000443722250 560091196 /nfs/dbraw/zinc/09/11/96/560091196.db2.gz UZVDHSWZDFMYHV-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000443811440 560093703 /nfs/dbraw/zinc/09/37/03/560093703.db2.gz OSUAHQGGZNQTFV-ZDUSSCGKSA-N 1 0 353.444 2.292 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000444601948 560116320 /nfs/dbraw/zinc/11/63/20/560116320.db2.gz GJSQJJODLFCGQX-UHFFFAOYSA-N 1 0 373.457 2.405 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000448959268 560208782 /nfs/dbraw/zinc/20/87/82/560208782.db2.gz DTTZHYQRJDINIZ-HNNXBMFYSA-N 1 0 355.398 2.089 20 5 FEBDRO CNC(=O)COc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449091537 560215628 /nfs/dbraw/zinc/21/56/28/560215628.db2.gz QCNONAQQWPTIGK-CQSZACIVSA-N 1 0 357.410 2.440 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449176285 560218951 /nfs/dbraw/zinc/21/89/51/560218951.db2.gz MCNCJPROAYQQIQ-IBGZPJMESA-N 1 0 354.410 2.054 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234634 560221270 /nfs/dbraw/zinc/22/12/70/560221270.db2.gz QXZAHHNDBWUHAC-GOEBONIOSA-N 1 0 371.441 2.040 20 5 FEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449461089 560231155 /nfs/dbraw/zinc/23/11/55/560231155.db2.gz SHGJXKVMRYJOQB-OIISXLGYSA-N 1 0 360.414 2.059 20 5 FEBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492293 560231802 /nfs/dbraw/zinc/23/18/02/560231802.db2.gz BRCFATAJAAWSPI-XJKSGUPXSA-N 1 0 366.414 2.394 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152967 560252377 /nfs/dbraw/zinc/25/23/77/560252377.db2.gz RQZRSXDDZZLIAF-DIFFPNOSSA-N 1 0 355.398 2.197 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000450259183 560256037 /nfs/dbraw/zinc/25/60/37/560256037.db2.gz VNKJMXBECZHTDX-UHFFFAOYSA-N 1 0 359.430 3.026 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450294556 560257387 /nfs/dbraw/zinc/25/73/87/560257387.db2.gz OYJPYFIHVSNECB-GASCZTMLSA-N 1 0 372.473 2.466 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450317376 560258386 /nfs/dbraw/zinc/25/83/86/560258386.db2.gz KFUXGYLGYJQRPK-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1nc(N2CCC([NH2+]CCOc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450339717 560259259 /nfs/dbraw/zinc/25/92/59/560259259.db2.gz BPAADXQYGRCMTO-UHFFFAOYSA-N 1 0 357.414 2.331 20 5 FEBDRO CC(C)NC(=O)c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450792095 560273511 /nfs/dbraw/zinc/27/35/11/560273511.db2.gz NKJLXPSSDKYIOI-GASCZTMLSA-N 1 0 362.430 2.008 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000450925538 560278828 /nfs/dbraw/zinc/27/88/28/560278828.db2.gz YPSGNCLABHXKLX-UHFFFAOYSA-N 1 0 352.464 2.132 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000451097774 560287062 /nfs/dbraw/zinc/28/70/62/560287062.db2.gz FKFJTUREYWXMPJ-BBRMVZONSA-N 1 0 371.393 2.202 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451223394 560294072 /nfs/dbraw/zinc/29/40/72/560294072.db2.gz SFTAFDLUMDHJEV-DZGCQCFKSA-N 1 0 355.394 2.384 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451411873 560305312 /nfs/dbraw/zinc/30/53/12/560305312.db2.gz NAISRUMNUCNUJJ-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000451487019 560310041 /nfs/dbraw/zinc/31/00/41/560310041.db2.gz KSOAMSGRCTZZOT-WMLDXEAASA-N 1 0 351.403 2.335 20 5 FEBDRO CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548035 560313855 /nfs/dbraw/zinc/31/38/55/560313855.db2.gz MBEZKCYMTPXPKW-CQSZACIVSA-N 1 0 360.414 2.105 20 5 FEBDRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549628 560314112 /nfs/dbraw/zinc/31/41/12/560314112.db2.gz PTJLHMAHDHFRHT-QILLFSRXSA-N 1 0 352.431 2.187 20 5 FEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452034967 560347009 /nfs/dbraw/zinc/34/70/09/560347009.db2.gz MTWHECHMSVYTLM-GDBMZVCRSA-N 1 0 351.403 2.479 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+](C2CC2)C1 ZINC000452172350 560354457 /nfs/dbraw/zinc/35/44/57/560354457.db2.gz WGDLMWIXPRXFOQ-CQSZACIVSA-N 1 0 369.425 2.337 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452358052 560360038 /nfs/dbraw/zinc/36/00/38/560360038.db2.gz FSVCDOYLNSZMRH-FUHWJXTLSA-N 1 0 363.458 2.127 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452386275 560362470 /nfs/dbraw/zinc/36/24/70/560362470.db2.gz WQCKOJGTWWMTSS-DLBZAZTESA-N 1 0 363.458 2.127 20 5 FEBDRO C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000452570722 560367957 /nfs/dbraw/zinc/36/79/57/560367957.db2.gz DIYJZZGVNSNCTL-AWEZNQCLSA-N 1 0 369.425 2.233 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nc(-c3ccccn3)n[nH]2)n1 ZINC000453346397 560385582 /nfs/dbraw/zinc/38/55/82/560385582.db2.gz IAWZNEWWDNUORB-TZMCWYRMSA-N 1 0 368.401 2.245 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC)C[C@H]1CC ZINC000453952311 560416086 /nfs/dbraw/zinc/41/60/86/560416086.db2.gz AZKMZSFPSCDBET-CQSZACIVSA-N 1 0 362.430 2.038 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455251766 560475684 /nfs/dbraw/zinc/47/56/84/560475684.db2.gz TWHAVAJDLOYXNT-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456055699 560505635 /nfs/dbraw/zinc/50/56/35/560505635.db2.gz TVXGZIKUWWYWMO-UKRRQHHQSA-N 1 0 369.425 2.424 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000457112391 560550040 /nfs/dbraw/zinc/55/00/40/560550040.db2.gz JIIUHUVSFMBDBU-KRWDZBQOSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000457172300 560554391 /nfs/dbraw/zinc/55/43/91/560554391.db2.gz UKKJUOBWHHOEJE-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000457368325 560563953 /nfs/dbraw/zinc/56/39/53/560563953.db2.gz XZGKSJZQAVONRY-MMPTUQATSA-N 1 0 351.403 2.200 20 5 FEBDRO COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@H]2[NH3+])cc1F ZINC000457373315 560564140 /nfs/dbraw/zinc/56/41/40/560564140.db2.gz JYFUKSCZTONGHP-TZMCWYRMSA-N 1 0 362.361 2.028 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000457370325 560564180 /nfs/dbraw/zinc/56/41/80/560564180.db2.gz GZRMUTRMFJWCJF-JKSUJKDBSA-N 1 0 372.400 2.489 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)cn1 ZINC000457874546 560591727 /nfs/dbraw/zinc/59/17/27/560591727.db2.gz QZBBRGVNGBUOIW-UHFFFAOYSA-N 1 0 367.203 2.372 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000457899282 560592930 /nfs/dbraw/zinc/59/29/30/560592930.db2.gz JSFUAKJHTBKAFY-ZDUSSCGKSA-N 1 0 350.419 2.229 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000458171897 560606735 /nfs/dbraw/zinc/60/67/35/560606735.db2.gz BCYNGVONUJDIEA-CQSZACIVSA-N 1 0 372.425 2.370 20 5 FEBDRO COc1ccc(NC(=O)CN2CC3(CCC3)[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459666127 560701159 /nfs/dbraw/zinc/70/11/59/560701159.db2.gz GUKZHBSJLSVUAM-XJKSGUPXSA-N 1 0 361.398 2.043 20 5 FEBDRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459718449 560704269 /nfs/dbraw/zinc/70/42/69/560704269.db2.gz UXWFXUAHXZNTAR-UHFFFAOYSA-N 1 0 359.835 2.034 20 5 FEBDRO NC(=O)c1ccnc(N(CC[NH+]2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000461886802 560786425 /nfs/dbraw/zinc/78/64/25/560786425.db2.gz CRSALYWLEIBGCJ-UHFFFAOYSA-N 1 0 361.446 2.324 20 5 FEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464424816 560841511 /nfs/dbraw/zinc/84/15/11/560841511.db2.gz ICZNNPTVCZFYPN-UHFFFAOYSA-N 1 0 366.443 2.153 20 5 FEBDRO COc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000467798123 560917647 /nfs/dbraw/zinc/91/76/47/560917647.db2.gz LGWNEOIJKPBVGZ-UHFFFAOYSA-N 1 0 368.409 2.097 20 5 FEBDRO CCN(CCC[NH+](C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000468613204 560934013 /nfs/dbraw/zinc/93/40/13/560934013.db2.gz RQPKCKYQDFSXIX-UHFFFAOYSA-N 1 0 359.430 2.337 20 5 FEBDRO CCN(CC)S(=O)(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468655296 560935164 /nfs/dbraw/zinc/93/51/64/560935164.db2.gz JCWVPFTVAJPFRW-SDNWHVSQSA-N 1 0 355.460 2.259 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000470133317 560975095 /nfs/dbraw/zinc/97/50/95/560975095.db2.gz AXNQWQPTIVRKIK-JKSUJKDBSA-N 1 0 366.393 2.233 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000470176335 560976227 /nfs/dbraw/zinc/97/62/27/560976227.db2.gz WBRMAUXOYZIZJC-IHWMJMDHSA-N 1 0 367.471 2.259 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472554732 561029177 /nfs/dbraw/zinc/02/91/77/561029177.db2.gz CRTPDFDEVNHRNV-UHFFFAOYSA-N 1 0 374.372 2.050 20 5 FEBDRO CNC(=O)c1cccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472618142 561031103 /nfs/dbraw/zinc/03/11/03/561031103.db2.gz WAKBATRCIMFRIZ-DLBZAZTESA-N 1 0 371.441 2.467 20 5 FEBDRO C[NH+](C)CCN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000472724433 561033765 /nfs/dbraw/zinc/03/37/65/561033765.db2.gz PJPWVIQSQPZDIP-UHFFFAOYSA-N 1 0 366.393 2.005 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CO)c1ccsc1 ZINC000473163817 561043122 /nfs/dbraw/zinc/04/31/22/561043122.db2.gz JQKASEJFAUPETA-ZDUSSCGKSA-N 1 0 363.395 2.278 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000475580455 561100306 /nfs/dbraw/zinc/10/03/06/561100306.db2.gz FJGBKHVHXJYIOH-AWEZNQCLSA-N 1 0 364.398 2.148 20 5 FEBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475707773 561102784 /nfs/dbraw/zinc/10/27/84/561102784.db2.gz UUIFWQRLDOFJHK-HNNXBMFYSA-N 1 0 366.414 2.395 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476377132 561118032 /nfs/dbraw/zinc/11/80/32/561118032.db2.gz WAUKKNOXROOHPG-UHFFFAOYSA-N 1 0 359.430 2.313 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476644947 561125214 /nfs/dbraw/zinc/12/52/14/561125214.db2.gz OGUXTIRDLOYCLI-UHFFFAOYSA-N 1 0 365.356 2.065 20 5 FEBDRO C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000476648849 561125226 /nfs/dbraw/zinc/12/52/26/561125226.db2.gz OMWMJGNOEXYKNK-ZBFHGGJFSA-N 1 0 371.441 2.359 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476657812 561125431 /nfs/dbraw/zinc/12/54/31/561125431.db2.gz MHQMJEBSPNXNCD-HIFRSBDPSA-N 1 0 357.414 2.111 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025080 561134544 /nfs/dbraw/zinc/13/45/44/561134544.db2.gz MCIOGUXSFJKMCN-INIZCTEOSA-N 1 0 371.441 2.313 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)(C)C[NH+](C)C ZINC000530644689 562418838 /nfs/dbraw/zinc/41/88/38/562418838.db2.gz BHMIRMVDFGLDND-NSHDSACASA-N 1 0 351.403 2.072 20 5 FEBDRO C[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C2(CCCCC2)C1 ZINC000530714753 562421597 /nfs/dbraw/zinc/42/15/97/562421597.db2.gz JPHFJLHJPGZZLJ-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530916997 562428529 /nfs/dbraw/zinc/42/85/29/562428529.db2.gz VZGOBSMPTIIFSU-ZFWWWQNUSA-N 1 0 350.419 2.146 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531189947 562437579 /nfs/dbraw/zinc/43/75/79/562437579.db2.gz DCCYBTIRQPFSPX-KBPBESRZSA-N 1 0 370.475 2.169 20 5 FEBDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531887476 562460042 /nfs/dbraw/zinc/46/00/42/562460042.db2.gz RWGPRZIYUCPVSR-UHFFFAOYSA-N 1 0 356.382 2.199 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000531977007 562463112 /nfs/dbraw/zinc/46/31/12/562463112.db2.gz FXKVUUXSHNLYET-CQSZACIVSA-N 1 0 369.421 2.431 20 5 FEBDRO CC1(C)CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000532011484 562463936 /nfs/dbraw/zinc/46/39/36/562463936.db2.gz FSTKKHOCFNWLPD-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000532392138 562476243 /nfs/dbraw/zinc/47/62/43/562476243.db2.gz CCRGVRJFWBONGB-UHFFFAOYSA-N 1 0 358.398 2.250 20 5 FEBDRO CN(C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000533079946 562497547 /nfs/dbraw/zinc/49/75/47/562497547.db2.gz ATIILFIFKTVONZ-UHFFFAOYSA-N 1 0 369.425 2.165 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000533694450 562516151 /nfs/dbraw/zinc/51/61/51/562516151.db2.gz XMGVUBJKABAFAX-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000533948839 562522081 /nfs/dbraw/zinc/52/20/81/562522081.db2.gz XJGSVBAHTDKIAT-UHFFFAOYSA-N 1 0 374.441 2.188 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000535257864 562554231 /nfs/dbraw/zinc/55/42/31/562554231.db2.gz RNESWUWHPGMNGR-AWEZNQCLSA-N 1 0 371.393 2.226 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000536805929 562580764 /nfs/dbraw/zinc/58/07/64/562580764.db2.gz JSGCOTIIXMWFHM-MRXNPFEDSA-N 1 0 371.441 2.141 20 5 FEBDRO CNc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901370 562596228 /nfs/dbraw/zinc/59/62/28/562596228.db2.gz ZSJGADFPRNSOHX-RDJZCZTQSA-N 1 0 354.410 2.464 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000541051182 562601451 /nfs/dbraw/zinc/60/14/51/562601451.db2.gz FMBJIJGFBNXJLD-INIZCTEOSA-N 1 0 365.430 2.463 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602872246 568009343 /nfs/dbraw/zinc/00/93/43/568009343.db2.gz BCDLFBWXDDLFPC-MRXNPFEDSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000602785891 568040078 /nfs/dbraw/zinc/04/00/78/568040078.db2.gz WRNZSQFPEZSZLX-QGZVFWFLSA-N 1 0 371.441 2.384 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000568756858 568181751 /nfs/dbraw/zinc/18/17/51/568181751.db2.gz SOVMQLKAVMECGB-CQSZACIVSA-N 1 0 353.444 2.016 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000569114420 568280224 /nfs/dbraw/zinc/28/02/24/568280224.db2.gz DWMKXVSZOSSQLC-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO CCOc1cc(CN2CCC(CO)([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000569256689 568321028 /nfs/dbraw/zinc/32/10/28/568321028.db2.gz RKMHLYMWYBLNAG-UHFFFAOYSA-N 1 0 351.447 2.318 20 5 FEBDRO CCC[C@](C)([NH3+])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569572558 568408076 /nfs/dbraw/zinc/40/80/76/568408076.db2.gz CBMJXWHQTJQKNI-SFHVURJKSA-N 1 0 374.445 2.027 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000569793370 568425067 /nfs/dbraw/zinc/42/50/67/568425067.db2.gz CYKUUOOSMCKHBF-CYBMUJFWSA-N 1 0 358.398 2.493 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807394383 674414432 /nfs/dbraw/zinc/41/44/32/674414432.db2.gz LKTGSUAPWUEUIQ-LBPRGKRZSA-N 1 0 368.821 2.177 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000810441081 674544995 /nfs/dbraw/zinc/54/49/95/674544995.db2.gz CFMJHCZDRVSDHQ-JTQLQIEISA-N 1 0 356.810 2.032 20 5 FEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CCC([NH+]2CCCCC2)CC1 ZINC000823620739 606717646 /nfs/dbraw/zinc/71/76/46/606717646.db2.gz PFEUNVCRWRUZQZ-UHFFFAOYSA-N 1 0 372.433 2.379 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029196 608379051 /nfs/dbraw/zinc/37/90/51/608379051.db2.gz QIOVXQQRXWSIFL-LLVKDONJSA-N 1 0 368.401 2.077 20 5 FEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)cc1 ZINC000826498552 608725717 /nfs/dbraw/zinc/72/57/17/608725717.db2.gz AGKJAVLLOLYYEM-UHFFFAOYSA-N 1 0 370.369 2.411 20 5 FEBDRO COc1cc(OCC(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810846731 674564880 /nfs/dbraw/zinc/56/48/80/674564880.db2.gz IKIODMTWVOHYAI-OCCSQVGLSA-N 1 0 350.371 2.152 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430994 674744516 /nfs/dbraw/zinc/74/45/16/674744516.db2.gz YXHKXLRBUOMMDD-GHMZBOCLSA-N 1 0 374.224 2.495 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000563437220 674888153 /nfs/dbraw/zinc/88/81/53/674888153.db2.gz WGQHHNBXUOZKAL-GFCCVEGCSA-N 1 0 359.423 2.133 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000563574671 674910421 /nfs/dbraw/zinc/91/04/21/674910421.db2.gz SKHFAXVWVQNQNK-AWEZNQCLSA-N 1 0 352.435 2.372 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1SC ZINC000563700580 674929344 /nfs/dbraw/zinc/92/93/44/674929344.db2.gz JWJJXWGHNDKAGH-GXFFZTMASA-N 1 0 351.428 2.149 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000563753582 674935909 /nfs/dbraw/zinc/93/59/09/674935909.db2.gz KUPMZKUFNAKIHV-CJNGLKHVSA-N 1 0 355.460 2.229 20 5 FEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525283 675008989 /nfs/dbraw/zinc/00/89/89/675008989.db2.gz RWDCRMAMQXFNTM-AEKWLRTRSA-N 1 0 363.483 2.315 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000564590060 675041847 /nfs/dbraw/zinc/04/18/47/675041847.db2.gz HEFUULGBUMJKEL-LBPRGKRZSA-N 1 0 353.419 2.461 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857742 675069155 /nfs/dbraw/zinc/06/91/55/675069155.db2.gz XXLPJTLFAFBHBM-BZUAXINKSA-N 1 0 351.447 2.187 20 5 FEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000564957793 675081450 /nfs/dbraw/zinc/08/14/50/675081450.db2.gz DUQCUKSDBXBYSZ-UONOGXRCSA-N 1 0 368.231 2.475 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCOCC1(C)C ZINC000571009874 670800432 /nfs/dbraw/zinc/80/04/32/670800432.db2.gz PGAAAPISUQFZGM-UHFFFAOYSA-N 1 0 350.419 2.390 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000105424397 670800787 /nfs/dbraw/zinc/80/07/87/670800787.db2.gz NGAZKGJJAHVPDL-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000565683208 675142684 /nfs/dbraw/zinc/14/26/84/675142684.db2.gz JZOXRWIOPDJQCF-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000116372243 670905206 /nfs/dbraw/zinc/90/52/06/670905206.db2.gz MKLMVKDVCILXIZ-ZDUSSCGKSA-N 1 0 361.439 2.379 20 5 FEBDRO Cc1nc(C)c(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000571671291 670909483 /nfs/dbraw/zinc/90/94/83/670909483.db2.gz ZGRFZQCEJPUTCJ-ZDUSSCGKSA-N 1 0 351.428 2.240 20 5 FEBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000572179571 670970506 /nfs/dbraw/zinc/97/05/06/670970506.db2.gz ZDJXFKRVDRGIDJ-UHFFFAOYSA-N 1 0 352.410 2.467 20 5 FEBDRO C[C@H](CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000572476971 671006955 /nfs/dbraw/zinc/00/69/55/671006955.db2.gz WEFUCEFREMLFIW-OAHLLOKOSA-N 1 0 369.487 2.223 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000573478252 671127748 /nfs/dbraw/zinc/12/77/48/671127748.db2.gz NFVIFXNLYVYWIV-WBMJQRKESA-N 1 0 352.341 2.098 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000818022578 675191509 /nfs/dbraw/zinc/19/15/09/675191509.db2.gz YIVDZJZAPSFSQO-UHFFFAOYSA-N 1 0 372.194 2.465 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812495 675904573 /nfs/dbraw/zinc/90/45/73/675904573.db2.gz QRQZGBUUFPCCMD-STQMWFEESA-N 1 0 351.451 2.035 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000576819514 671397036 /nfs/dbraw/zinc/39/70/36/671397036.db2.gz JTASHCMNLBZIDB-OCCSQVGLSA-N 1 0 355.460 2.260 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000609269722 675916128 /nfs/dbraw/zinc/91/61/28/675916128.db2.gz WDQHVSPFIDGZSN-ZDUSSCGKSA-N 1 0 353.444 2.157 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609352624 675919937 /nfs/dbraw/zinc/91/99/37/675919937.db2.gz AZBRTIZCHNCIHY-BETUJISGSA-N 1 0 371.459 2.145 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000609673380 675931869 /nfs/dbraw/zinc/93/18/69/675931869.db2.gz DFXYPQLVFALPNY-KGLIPLIRSA-N 1 0 355.460 2.444 20 5 FEBDRO CC(C)(C)C[N@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000609767216 675935694 /nfs/dbraw/zinc/93/56/94/675935694.db2.gz KVMXBVAVEGHTIQ-UHFFFAOYSA-N 1 0 351.403 2.233 20 5 FEBDRO Cn1cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000581123970 671865719 /nfs/dbraw/zinc/86/57/19/671865719.db2.gz QSDMSFYVOCNXHW-CYBMUJFWSA-N 1 0 358.320 2.398 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842283 671887937 /nfs/dbraw/zinc/88/79/37/671887937.db2.gz IQMDPNWTBLAFDA-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO COC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000610090267 675952987 /nfs/dbraw/zinc/95/29/87/675952987.db2.gz ZUBGFRCNWIVTHB-GFCCVEGCSA-N 1 0 350.371 2.350 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610135192 675956259 /nfs/dbraw/zinc/95/62/59/675956259.db2.gz MEDREMDZTAJSRN-RYUDHWBXSA-N 1 0 359.423 2.227 20 5 FEBDRO CC(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000610247395 675960653 /nfs/dbraw/zinc/96/06/53/675960653.db2.gz GIBXZENOAOTGIW-JTQLQIEISA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000122458666 671966805 /nfs/dbraw/zinc/96/68/05/671966805.db2.gz JTTCQAVPCBCHPX-CHWSQXEVSA-N 1 0 353.423 2.374 20 5 FEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582300001 671987674 /nfs/dbraw/zinc/98/76/74/671987674.db2.gz UZVZNIIERVZOMW-CHWSQXEVSA-N 1 0 350.419 2.273 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOC2CCOCC2)n1 ZINC000582466463 672003910 /nfs/dbraw/zinc/00/39/10/672003910.db2.gz XGZLGZSXJLGVBI-CVEARBPZSA-N 1 0 352.435 2.450 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000582840212 672038685 /nfs/dbraw/zinc/03/86/85/672038685.db2.gz ODVVJIJFWDOMBU-HFBDOXOYSA-N 1 0 370.247 2.403 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000582959766 672049584 /nfs/dbraw/zinc/04/95/84/672049584.db2.gz MRVDWOKGFXQAGG-BXKDBHETSA-N 1 0 373.196 2.182 20 5 FEBDRO CCOC(=O)c1ccnc(NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000583116570 672064524 /nfs/dbraw/zinc/06/45/24/672064524.db2.gz NQJBGLVSJIHMIG-UHFFFAOYSA-N 1 0 368.459 2.406 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000154022820 672208853 /nfs/dbraw/zinc/20/88/53/672208853.db2.gz FHWLKKJVAXJYHK-OKILXGFUSA-N 1 0 350.419 2.476 20 5 FEBDRO C[C@@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610805414 675998342 /nfs/dbraw/zinc/99/83/42/675998342.db2.gz MTLVSGUGXCVROM-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000172910245 672345891 /nfs/dbraw/zinc/34/58/91/672345891.db2.gz YHSRFLQUIPFTMP-UHFFFAOYSA-N 1 0 366.443 2.218 20 5 FEBDRO Nc1cc(N2CC[NH+](CCc3cccs3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000587446681 672441828 /nfs/dbraw/zinc/44/18/28/672441828.db2.gz QFAZDUONJJDHRG-UHFFFAOYSA-N 1 0 362.455 2.096 20 5 FEBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000611087342 676016147 /nfs/dbraw/zinc/01/61/47/676016147.db2.gz BGWQAVNJKQGVRE-LLVKDONJSA-N 1 0 370.247 2.452 20 5 FEBDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000589162572 672510861 /nfs/dbraw/zinc/51/08/61/672510861.db2.gz MUPMIGBHSPQLHB-ICCXJUOJSA-N 1 0 363.336 2.459 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589307546 672520823 /nfs/dbraw/zinc/52/08/23/672520823.db2.gz OVPGIXCZEOFAOB-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165326 672562487 /nfs/dbraw/zinc/56/24/87/672562487.db2.gz GHGYHSJFVQEHSV-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000590572138 672590700 /nfs/dbraw/zinc/59/07/00/672590700.db2.gz WSALJAKVGJLBLH-CYBMUJFWSA-N 1 0 370.456 2.019 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591968 672594479 /nfs/dbraw/zinc/59/44/79/672594479.db2.gz WIMATIBBKHIKRV-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO COC(=O)[C@H]1CSCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591057414 672645618 /nfs/dbraw/zinc/64/56/18/672645618.db2.gz LLEHORREUCXMMY-CYBMUJFWSA-N 1 0 354.428 2.202 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000591676540 672700702 /nfs/dbraw/zinc/70/07/02/672700702.db2.gz VSJKHURUPFTZNI-FZMZJTMJSA-N 1 0 351.403 2.202 20 5 FEBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](C)C1 ZINC000591924764 672721861 /nfs/dbraw/zinc/72/18/61/672721861.db2.gz JDEBVHRRAYHWST-HNNXBMFYSA-N 1 0 350.419 2.229 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1SC ZINC000592172147 672767314 /nfs/dbraw/zinc/76/73/14/672767314.db2.gz AREYWRJIJMDGRC-FPCVCCKLSA-N 1 0 365.455 2.199 20 5 FEBDRO COc1cc(CN2CCOC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000592185531 672768380 /nfs/dbraw/zinc/76/83/80/672768380.db2.gz WQKCDLLDXQCWCP-UHFFFAOYSA-N 1 0 353.394 2.039 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196683 672770150 /nfs/dbraw/zinc/77/01/50/672770150.db2.gz XBFJGHXBYMHLNV-HUUCEWRRSA-N 1 0 350.415 2.368 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534726 672936302 /nfs/dbraw/zinc/93/63/02/672936302.db2.gz RJWZHERYLZHWSD-GUTXKFCHSA-N 1 0 368.459 2.016 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263640396 672936495 /nfs/dbraw/zinc/93/64/95/672936495.db2.gz AJNDANGPLRILES-ZDUSSCGKSA-N 1 0 365.459 2.279 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1C[NH2+]C ZINC000593729980 672984018 /nfs/dbraw/zinc/98/40/18/672984018.db2.gz LYPOFRYMIOCXHV-UHFFFAOYSA-N 1 0 363.439 2.355 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593911168 673007202 /nfs/dbraw/zinc/00/72/02/673007202.db2.gz FJLQBBPMIDITFB-HSMVNMDESA-N 1 0 351.378 2.092 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000594525253 673095079 /nfs/dbraw/zinc/09/50/79/673095079.db2.gz UCIIIIRCRIJVAS-WBMJQRKESA-N 1 0 365.455 2.128 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[NH+](C(C)(C)CC)CC2)c1[N+](=O)[O-] ZINC000594595170 673103917 /nfs/dbraw/zinc/10/39/17/673103917.db2.gz UWINQFJAUJGXOE-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594801798 673147823 /nfs/dbraw/zinc/14/78/23/673147823.db2.gz SKAWDPBYUVWCEO-LLVKDONJSA-N 1 0 361.851 2.399 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000594820263 673152284 /nfs/dbraw/zinc/15/22/84/673152284.db2.gz AFSOYOZFDUHBNH-VIFPVBQESA-N 1 0 369.365 2.232 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000594859552 673167760 /nfs/dbraw/zinc/16/77/60/673167760.db2.gz AQBFXQWFWNTFJQ-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594982970 673182952 /nfs/dbraw/zinc/18/29/52/673182952.db2.gz DGFFIQIUTQENNE-TZMCWYRMSA-N 1 0 352.387 2.194 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595004511 673185138 /nfs/dbraw/zinc/18/51/38/673185138.db2.gz AOTCBOVBASNNOX-JTQLQIEISA-N 1 0 365.402 2.143 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032988 673187855 /nfs/dbraw/zinc/18/78/55/673187855.db2.gz OLIWNWFUQOWSRE-ISTRZQFTSA-N 1 0 354.403 2.075 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032991 673187930 /nfs/dbraw/zinc/18/79/30/673187930.db2.gz OLIWNWFUQOWSRE-XGWLTEMNSA-N 1 0 354.403 2.075 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000595108249 673194245 /nfs/dbraw/zinc/19/42/45/673194245.db2.gz LTSIBWIAEDYGDS-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000595120800 673197148 /nfs/dbraw/zinc/19/71/48/673197148.db2.gz WOEWIUIKQYEOOO-HUUCEWRRSA-N 1 0 361.423 2.019 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000728606462 673205657 /nfs/dbraw/zinc/20/56/57/673205657.db2.gz ODULUUYZRYTBCY-ZDUSSCGKSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[Si](C)(C)C)CC1 ZINC000729266997 673230783 /nfs/dbraw/zinc/23/07/83/673230783.db2.gz GPHMUPVWXJKARP-UHFFFAOYSA-N 1 0 371.535 2.087 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462706201 673277018 /nfs/dbraw/zinc/27/70/18/673277018.db2.gz RRRSLSVJZYRUMC-LBPRGKRZSA-N 1 0 359.423 2.229 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000462871719 673286810 /nfs/dbraw/zinc/28/68/10/673286810.db2.gz CSANCTOYYZCJNC-AWEZNQCLSA-N 1 0 352.387 2.146 20 5 FEBDRO CC(C)n1c(Sc2cc[nH]c(=O)c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000596131554 673361904 /nfs/dbraw/zinc/36/19/04/673361904.db2.gz PCBPAHLMWFDMJE-JTQLQIEISA-N 1 0 364.431 2.486 20 5 FEBDRO CC[NH+](CC)C[C@H](C)Nc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732567330 673372303 /nfs/dbraw/zinc/37/23/03/673372303.db2.gz IVNVEMMFKITEBU-JTQLQIEISA-N 1 0 354.363 2.432 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596335192 673377846 /nfs/dbraw/zinc/37/78/46/673377846.db2.gz GNWUKDQNDLWFSR-LBPRGKRZSA-N 1 0 370.475 2.130 20 5 FEBDRO CCOc1cc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000537833774 673410204 /nfs/dbraw/zinc/41/02/04/673410204.db2.gz OVEBPEKPCVDGLB-LLVKDONJSA-N 1 0 364.431 2.083 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537942769 673414707 /nfs/dbraw/zinc/41/47/07/673414707.db2.gz NZOJTPMWWFGACL-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCSC1 ZINC000597101147 673448042 /nfs/dbraw/zinc/44/80/42/673448042.db2.gz IXDYZHHEHPYNAS-AWEZNQCLSA-N 1 0 373.866 2.389 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597104256 673448680 /nfs/dbraw/zinc/44/86/80/673448680.db2.gz RFFBEXAWUZVNIG-UHFFFAOYSA-N 1 0 371.825 2.063 20 5 FEBDRO CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597947444 673522763 /nfs/dbraw/zinc/52/27/63/673522763.db2.gz YIYGOBZTZSWVCZ-CQSZACIVSA-N 1 0 367.471 2.389 20 5 FEBDRO C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000597994446 673527967 /nfs/dbraw/zinc/52/79/67/673527967.db2.gz YPDIRVJOXBSQEI-JTQLQIEISA-N 1 0 358.236 2.356 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598605143 673588854 /nfs/dbraw/zinc/58/88/54/673588854.db2.gz ADJFAKXAGVLTQN-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598608126 673589394 /nfs/dbraw/zinc/58/93/94/673589394.db2.gz LIKNAHNRKLHULH-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO COC(=O)c1ccnc(NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000598626778 673592252 /nfs/dbraw/zinc/59/22/52/673592252.db2.gz KHEASKJCRLMYOM-UHFFFAOYSA-N 1 0 354.432 2.016 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915140 673620774 /nfs/dbraw/zinc/62/07/74/673620774.db2.gz IMGLPGPWZJQUCW-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599125759 673635323 /nfs/dbraw/zinc/63/53/23/673635323.db2.gz BGITUJMYXZQDKD-AWEZNQCLSA-N 1 0 368.459 2.061 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000543423371 673646428 /nfs/dbraw/zinc/64/64/28/673646428.db2.gz STXFDHZFKXLISE-MCIONIFRSA-N 1 0 355.460 2.287 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000599389866 673667932 /nfs/dbraw/zinc/66/79/32/673667932.db2.gz DXJFVTMUGWCASB-HNNXBMFYSA-N 1 0 353.444 2.280 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000544122464 673692334 /nfs/dbraw/zinc/69/23/34/673692334.db2.gz XEYKINPTMMUPKO-QGZVFWFLSA-N 1 0 364.423 2.082 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC(O)(CC)CC)c([N+](=O)[O-])c1 ZINC000599673441 673705070 /nfs/dbraw/zinc/70/50/70/673705070.db2.gz ONYSIZAZMCFFLT-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000546174940 673795114 /nfs/dbraw/zinc/79/51/14/673795114.db2.gz VTCOFVRDPYKDSH-UHFFFAOYSA-N 1 0 367.471 2.481 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601108368 673826437 /nfs/dbraw/zinc/82/64/37/673826437.db2.gz FLHLFEHLAVGNPV-OKILXGFUSA-N 1 0 351.426 2.124 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601316794 673841887 /nfs/dbraw/zinc/84/18/87/673841887.db2.gz PLQFVCCTUULQLC-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601387268 673853415 /nfs/dbraw/zinc/85/34/15/673853415.db2.gz RQFNNJOTMSONGY-LBPRGKRZSA-N 1 0 373.450 2.393 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000601427822 673860405 /nfs/dbraw/zinc/86/04/05/673860405.db2.gz IDILAFWQODNRBB-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461293 673866445 /nfs/dbraw/zinc/86/64/45/673866445.db2.gz AKCDANKGMQCPFU-LLVKDONJSA-N 1 0 361.489 2.363 20 5 FEBDRO C[C@]1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000602484443 673906721 /nfs/dbraw/zinc/90/67/21/673906721.db2.gz LRMXFDTXYUHUPG-AWEZNQCLSA-N 1 0 356.220 2.477 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000602519726 673907236 /nfs/dbraw/zinc/90/72/36/673907236.db2.gz IVUKQZHMGBNDKA-YWPYICTPSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602529223 673907387 /nfs/dbraw/zinc/90/73/87/673907387.db2.gz FGPKNHCJTZDVPD-HNNXBMFYSA-N 1 0 365.455 2.237 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923828 673913931 /nfs/dbraw/zinc/91/39/31/673913931.db2.gz GOHTYVLPBBARON-OAHLLOKOSA-N 1 0 369.780 2.262 20 5 FEBDRO CCOc1cc(C[NH+]2CCC(CCO)(CCO)CC2)ccc1[N+](=O)[O-] ZINC000602966152 673914905 /nfs/dbraw/zinc/91/49/05/673914905.db2.gz YJQQEGHOPGBCKQ-UHFFFAOYSA-N 1 0 352.431 2.341 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000819207541 675269808 /nfs/dbraw/zinc/26/98/08/675269808.db2.gz MZRXQBSQFISEMX-CHWSQXEVSA-N 1 0 353.419 2.473 20 5 FEBDRO Cc1cc(Cl)nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000819289327 675277575 /nfs/dbraw/zinc/27/75/75/675277575.db2.gz ASGVFOWRGDRCLI-CYBMUJFWSA-N 1 0 351.790 2.481 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000567501310 675298410 /nfs/dbraw/zinc/29/84/10/675298410.db2.gz MKPYIYDKPOQEAL-KRWDZBQOSA-N 1 0 361.423 2.150 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O)C(C)C ZINC000823314051 675544303 /nfs/dbraw/zinc/54/43/03/675544303.db2.gz DWSAHGVIBRGKFX-UHFFFAOYSA-N 1 0 354.382 2.152 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000823782242 675571496 /nfs/dbraw/zinc/57/14/96/675571496.db2.gz NJSJQHWFYCEZMW-LBPRGKRZSA-N 1 0 350.371 2.397 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824904064 675628130 /nfs/dbraw/zinc/62/81/30/675628130.db2.gz TXOQFSHOICZNML-SDNWHVSQSA-N 1 0 368.455 2.182 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000825197387 675640977 /nfs/dbraw/zinc/64/09/77/675640977.db2.gz WPXZSWRHJIYXFB-APPZFPTMSA-N 1 0 360.183 2.354 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000826945796 675717443 /nfs/dbraw/zinc/71/74/43/675717443.db2.gz GTGOCEDRDQDUFO-GFCCVEGCSA-N 1 0 350.394 2.109 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCOCC3)CC2)nc2sccn21 ZINC000603408290 675798165 /nfs/dbraw/zinc/79/81/65/675798165.db2.gz LCFBFTOMYOUKRO-UHFFFAOYSA-N 1 0 351.432 2.359 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000829352654 675876773 /nfs/dbraw/zinc/87/67/73/675876773.db2.gz XRFFZXBPJPUQIS-CYBMUJFWSA-N 1 0 366.849 2.347 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000619476568 676379301 /nfs/dbraw/zinc/37/93/01/676379301.db2.gz MSRFFEFBKFLRLL-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000619476418 676379384 /nfs/dbraw/zinc/37/93/84/676379384.db2.gz OOFZDYCXWHGGDO-QWHCGFSZSA-N 1 0 371.459 2.145 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000830447858 677040201 /nfs/dbraw/zinc/04/02/01/677040201.db2.gz GOTSDHWDYLRUEX-BDJLRTHQSA-N 1 0 366.805 2.188 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000762358560 680748134 /nfs/dbraw/zinc/74/81/34/680748134.db2.gz LVQJWSHXSPIHKL-ZIAGYGMSSA-N 1 0 372.878 2.164 20 5 FEBDRO Cc1c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839438684 680752890 /nfs/dbraw/zinc/75/28/90/680752890.db2.gz MGAKFHOZXPVQTI-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000748284356 679949222 /nfs/dbraw/zinc/94/92/22/679949222.db2.gz YZJLZIGKMFSMBI-OAHLLOKOSA-N 1 0 370.431 2.153 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748836721 679999763 /nfs/dbraw/zinc/99/97/63/679999763.db2.gz XJXQXXVWSVRHQZ-SNVBAGLBSA-N 1 0 350.375 2.334 20 5 FEBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000749320534 680040074 /nfs/dbraw/zinc/04/00/74/680040074.db2.gz YGPAZWPSFDVIOU-ZDUSSCGKSA-N 1 0 354.401 2.478 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000832764077 680174280 /nfs/dbraw/zinc/17/42/80/680174280.db2.gz IFIIPABWVHJTEV-GFCCVEGCSA-N 1 0 359.423 2.146 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC12CCOCC2 ZINC000834854287 680277737 /nfs/dbraw/zinc/27/77/37/680277737.db2.gz UVTHWNHDADPZFS-GFCCVEGCSA-N 1 0 353.806 2.076 20 5 FEBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000754247102 680345360 /nfs/dbraw/zinc/34/53/60/680345360.db2.gz ORUZUXVHCKCHRQ-NSHDSACASA-N 1 0 350.400 2.017 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201069 680434747 /nfs/dbraw/zinc/43/47/47/680434747.db2.gz BMDFYCAUWDRSCY-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)C2)CC1 ZINC000755778922 680435294 /nfs/dbraw/zinc/43/52/94/680435294.db2.gz GUPAXMGCXHTPEV-GFCCVEGCSA-N 1 0 372.267 2.175 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000912327114 685352968 /nfs/dbraw/zinc/35/29/68/685352968.db2.gz SRWPUTQKCUIDSG-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccccc2Cl)CC1 ZINC001045436919 680629758 /nfs/dbraw/zinc/62/97/58/680629758.db2.gz YAOMXTJCPWPASB-UKRRQHHQSA-N 1 0 351.834 2.476 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCC[NH+]1CCCC1 ZINC000838094497 680672848 /nfs/dbraw/zinc/67/28/48/680672848.db2.gz DVGZIUHQILZRIF-UHFFFAOYSA-N 1 0 353.350 2.335 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1F ZINC000841527752 680892222 /nfs/dbraw/zinc/89/22/22/680892222.db2.gz XNPGIZBTQLIXRV-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO O=C1OCCN1CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877006324 686308361 /nfs/dbraw/zinc/30/83/61/686308361.db2.gz IFGNRHWYTRFLDS-UHFFFAOYSA-N 1 0 364.221 2.351 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841892482 680916690 /nfs/dbraw/zinc/91/66/90/680916690.db2.gz ZPFRPHRSJPDWOO-NWDGAFQWSA-N 1 0 372.263 2.244 20 5 FEBDRO CC[NH2+]CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841934639 680917777 /nfs/dbraw/zinc/91/77/77/680917777.db2.gz DOWDWBVXFGEKCB-UHFFFAOYSA-N 1 0 371.235 2.035 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000842859674 680971690 /nfs/dbraw/zinc/97/16/90/680971690.db2.gz KZMZUXQPBDMAKO-NSHDSACASA-N 1 0 361.851 2.449 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000843065268 680985461 /nfs/dbraw/zinc/98/54/61/680985461.db2.gz KIVYTCAYCKWHBV-CXAGYDPISA-N 1 0 366.801 2.311 20 5 FEBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843108824 680988139 /nfs/dbraw/zinc/98/81/39/680988139.db2.gz UMNLPGNOUBNHRE-UMVBOHGHSA-N 1 0 366.439 2.498 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843379653 681000624 /nfs/dbraw/zinc/00/06/24/681000624.db2.gz IDOIJHOWGPKRIL-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401088 681001813 /nfs/dbraw/zinc/00/18/13/681001813.db2.gz GNNIZFPNLBVDCV-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843470671 681005359 /nfs/dbraw/zinc/00/53/59/681005359.db2.gz XLBNQYWRRXODHD-SECBINFHSA-N 1 0 360.183 2.368 20 5 FEBDRO Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001050325600 681045015 /nfs/dbraw/zinc/04/50/15/681045015.db2.gz JJVFBDVUUWTCSR-KBUPBQIOSA-N 1 0 366.487 2.190 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000912586462 685400081 /nfs/dbraw/zinc/40/00/81/685400081.db2.gz BRFMCCVEPQLJRJ-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)cc1OC ZINC000845815216 681154236 /nfs/dbraw/zinc/15/42/36/681154236.db2.gz VZQGMUSZNZTNEJ-NEPJUHHUSA-N 1 0 352.387 2.499 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000846232734 681206873 /nfs/dbraw/zinc/20/68/73/681206873.db2.gz SXOYYNYFZLKQBB-JQWIXIFHSA-N 1 0 361.851 2.386 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846698905 681276800 /nfs/dbraw/zinc/27/68/00/681276800.db2.gz CVIJSOVZBAWZPR-KCXAZCMYSA-N 1 0 351.378 2.235 20 5 FEBDRO CN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@H+](C)CC1 ZINC000933992671 681494501 /nfs/dbraw/zinc/49/45/01/681494501.db2.gz YWNLYVKUXBDURY-UHFFFAOYSA-N 1 0 371.279 2.037 20 5 FEBDRO CN(CCCF)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934037753 681499399 /nfs/dbraw/zinc/49/93/99/681499399.db2.gz PTZLBDSEQGHPNX-UHFFFAOYSA-N 1 0 353.398 2.170 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581633 681582598 /nfs/dbraw/zinc/58/25/98/681582598.db2.gz BHSSNEZQRNQRFW-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581461 681582930 /nfs/dbraw/zinc/58/29/30/681582930.db2.gz NMQJGVITKDCVQT-GFCCVEGCSA-N 1 0 357.357 2.367 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581430 681582949 /nfs/dbraw/zinc/58/29/49/681582949.db2.gz MQHNQHXJRODHDN-UHFFFAOYSA-N 1 0 357.357 2.367 20 5 FEBDRO CS[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000778402990 681608313 /nfs/dbraw/zinc/60/83/13/681608313.db2.gz MCLJCINCSQIGTF-OLZOCXBDSA-N 1 0 359.398 2.191 20 5 FEBDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000934757501 681624355 /nfs/dbraw/zinc/62/43/55/681624355.db2.gz VWXVSLXNJBJCMQ-XMMPIXPASA-N 1 0 354.476 2.381 20 5 FEBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000849380806 681704459 /nfs/dbraw/zinc/70/44/59/681704459.db2.gz DRVVLHNMYXSIDE-UHFFFAOYSA-N 1 0 368.459 2.065 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849411282 681719366 /nfs/dbraw/zinc/71/93/66/681719366.db2.gz DAVODPZTYOEXJW-LBPRGKRZSA-N 1 0 373.450 2.441 20 5 FEBDRO C[NH+](C)CCn1nccc1C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385409 685476091 /nfs/dbraw/zinc/47/60/91/685476091.db2.gz AARKOMABNHVODJ-UHFFFAOYSA-N 1 0 369.784 2.075 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000779892463 681767084 /nfs/dbraw/zinc/76/70/84/681767084.db2.gz JDPQOSVLQRZIGH-GFCCVEGCSA-N 1 0 373.862 2.319 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850508023 681909905 /nfs/dbraw/zinc/90/99/05/681909905.db2.gz QSIRSGGXZDTHMM-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000781595819 681951253 /nfs/dbraw/zinc/95/12/53/681951253.db2.gz YNWHQIRCCMPFCT-GFCCVEGCSA-N 1 0 350.375 2.036 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000917082687 685529587 /nfs/dbraw/zinc/52/95/87/685529587.db2.gz YAJWSOUFVXFQGL-QWHCGFSZSA-N 1 0 350.375 2.342 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791063898 682721392 /nfs/dbraw/zinc/72/13/92/682721392.db2.gz ZAJNTVOPLKNDDV-CQSZACIVSA-N 1 0 350.375 2.353 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791210651 682728644 /nfs/dbraw/zinc/72/86/44/682728644.db2.gz XPNABROGOOBFKF-GFCCVEGCSA-N 1 0 352.410 2.404 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000791735806 682762732 /nfs/dbraw/zinc/76/27/32/682762732.db2.gz AKRCBXVRZYPMAG-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000856734747 682801050 /nfs/dbraw/zinc/80/10/50/682801050.db2.gz GIFLBCOGUWJDIA-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000857233928 682867734 /nfs/dbraw/zinc/86/77/34/682867734.db2.gz ICJUNAOUWFNZJM-YGRLFVJLSA-N 1 0 359.835 2.059 20 5 FEBDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150120 683082899 /nfs/dbraw/zinc/08/28/99/683082899.db2.gz GRTCUMANYVLPGI-HOTGVXAUSA-N 1 0 356.444 2.019 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796509427 683166933 /nfs/dbraw/zinc/16/69/33/683166933.db2.gz DTRLBEMAEHDKRV-ZDUSSCGKSA-N 1 0 361.851 2.152 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000920704669 683362236 /nfs/dbraw/zinc/36/22/36/683362236.db2.gz UZKDREGZKJNCGK-CYBMUJFWSA-N 1 0 370.427 2.030 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823661 683480113 /nfs/dbraw/zinc/48/01/13/683480113.db2.gz AFYPYLFMZOHZRC-OCCSQVGLSA-N 1 0 353.806 2.183 20 5 FEBDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000862487655 683595508 /nfs/dbraw/zinc/59/55/08/683595508.db2.gz SRPHMAUCOYVKHE-ZDUSSCGKSA-N 1 0 350.371 2.354 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000930543692 683749256 /nfs/dbraw/zinc/74/92/56/683749256.db2.gz CQJOVWKHMMRZDL-AOOOYVTPSA-N 1 0 369.219 2.383 20 5 FEBDRO CC(C)O[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000922611775 683754021 /nfs/dbraw/zinc/75/40/21/683754021.db2.gz PIBMMXYPPNYXML-QGZVFWFLSA-N 1 0 352.387 2.040 20 5 FEBDRO C[C@@H]1CN(C)C[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Br)O1 ZINC000922880958 683796785 /nfs/dbraw/zinc/79/67/85/683796785.db2.gz GLXLBUTZKLBPHC-NOZJJQNGSA-N 1 0 373.203 2.120 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000923004422 683818000 /nfs/dbraw/zinc/81/80/00/683818000.db2.gz DEWACDSSWHDNTB-HOMQSWHASA-N 1 0 362.167 2.060 20 5 FEBDRO C[NH+](C)CCCOC1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865584786 684001143 /nfs/dbraw/zinc/00/11/43/684001143.db2.gz DCFWHAXLZOGCBA-UHFFFAOYSA-N 1 0 355.410 2.163 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000866256791 684086451 /nfs/dbraw/zinc/08/64/51/684086451.db2.gz CZTSBGGDZWONNC-UHFFFAOYSA-N 1 0 363.443 2.148 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000866338752 684092948 /nfs/dbraw/zinc/09/29/48/684092948.db2.gz XHSVYBRVCSMHNF-DLBZAZTESA-N 1 0 368.455 2.306 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893077 684175888 /nfs/dbraw/zinc/17/58/88/684175888.db2.gz KBSUVFAKUVZFPO-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1F ZINC000867262309 684234670 /nfs/dbraw/zinc/23/46/70/684234670.db2.gz TUHCUHQLNILQAV-QWHCGFSZSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1ccc(NC(=O)CCN2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000923442787 684281625 /nfs/dbraw/zinc/28/16/25/684281625.db2.gz MOVIBVPQYLFESL-FRRDWIJNSA-N 1 0 350.419 2.003 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000867618563 684332974 /nfs/dbraw/zinc/33/29/74/684332974.db2.gz DTXNIJAAOLDQQB-UHFFFAOYSA-N 1 0 353.444 2.091 20 5 FEBDRO Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000923909584 684366408 /nfs/dbraw/zinc/36/64/08/684366408.db2.gz HEFGXXJXQBKPLI-GOEBONIOSA-N 1 0 364.471 2.282 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813575 684397315 /nfs/dbraw/zinc/39/73/15/684397315.db2.gz XYJVRVAEFGTUPX-WCQYABFASA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000868010133 684438934 /nfs/dbraw/zinc/43/89/34/684438934.db2.gz PFRUXVHSPVUTEW-JTQLQIEISA-N 1 0 370.247 2.404 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000925691597 684578729 /nfs/dbraw/zinc/57/87/29/684578729.db2.gz IURQXXYHDXAEER-OLZOCXBDSA-N 1 0 355.460 2.306 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000870828998 684760439 /nfs/dbraw/zinc/76/04/39/684760439.db2.gz ZVIBYVPLKIIHTE-TZDAIYRESA-N 1 0 354.382 2.251 20 5 FEBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873211698 685097719 /nfs/dbraw/zinc/09/77/19/685097719.db2.gz RKYOOOKUDIBDJO-UHFFFAOYSA-N 1 0 359.455 2.019 20 5 FEBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000877260244 686344716 /nfs/dbraw/zinc/34/47/16/686344716.db2.gz WAUSUHBVWQFWHX-KRWDZBQOSA-N 1 0 353.394 2.336 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877277099 686347186 /nfs/dbraw/zinc/34/71/86/686347186.db2.gz FCSOTWOWFZYXPY-ZIAGYGMSSA-N 1 0 368.231 2.253 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877357617 686361748 /nfs/dbraw/zinc/36/17/48/686361748.db2.gz MDNUQPCKNZZECV-UWVGGRQHSA-N 1 0 361.320 2.203 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC000877368508 686366759 /nfs/dbraw/zinc/36/67/59/686366759.db2.gz UVVXFAMNCJOMAD-GMSGAONNSA-N 1 0 351.712 2.457 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(Br)cn3)C2)c1 ZINC000877734015 686446922 /nfs/dbraw/zinc/44/69/22/686446922.db2.gz FURCPWAPGNKHDH-UHFFFAOYSA-N 1 0 352.192 2.442 20 5 FEBDRO C[C@](CO)([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000879272982 686784626 /nfs/dbraw/zinc/78/46/26/686784626.db2.gz FWQHPHJDSFJOEI-DOTOQJQBSA-N 1 0 352.337 2.404 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320613 686794417 /nfs/dbraw/zinc/79/44/17/686794417.db2.gz HXYRZBHBXVYTDA-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000881772889 687210827 /nfs/dbraw/zinc/21/08/27/687210827.db2.gz FYEAXMJYTYIORQ-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882430667 687365993 /nfs/dbraw/zinc/36/59/93/687365993.db2.gz AARLSBFEMLAIDT-TZMCWYRMSA-N 1 0 373.450 2.475 20 5 FEBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882430664 687366021 /nfs/dbraw/zinc/36/60/21/687366021.db2.gz AARLSBFEMLAIDT-GXTWGEPZSA-N 1 0 373.450 2.475 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000882484293 687375332 /nfs/dbraw/zinc/37/53/32/687375332.db2.gz YHKDTZOCBPFUGA-SNVBAGLBSA-N 1 0 361.320 2.360 20 5 FEBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000882768879 687480849 /nfs/dbraw/zinc/48/08/49/687480849.db2.gz XEXVFMYOEBCYIQ-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)C1CC1 ZINC000883307093 687605745 /nfs/dbraw/zinc/60/57/45/687605745.db2.gz MBSRRZYDHAHFMZ-CVEARBPZSA-N 1 0 352.456 2.473 20 5 FEBDRO C[NH2+]C[C@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000883449532 687632781 /nfs/dbraw/zinc/63/27/81/687632781.db2.gz VZKVYBNFBDDPIS-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000886899484 688335972 /nfs/dbraw/zinc/33/59/72/688335972.db2.gz MGUAHAYPQYUODV-HNNXBMFYSA-N 1 0 373.862 2.403 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892767378 689240713 /nfs/dbraw/zinc/24/07/13/689240713.db2.gz BLXOKOFIGWHAME-QGZVFWFLSA-N 1 0 350.394 2.014 20 5 FEBDRO COc1c(O)ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000892780521 689243062 /nfs/dbraw/zinc/24/30/62/689243062.db2.gz XUIZYSANBJLCFO-UHFFFAOYSA-N 1 0 363.336 2.425 20 5 FEBDRO C[C@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246452 689683505 /nfs/dbraw/zinc/68/35/05/689683505.db2.gz BTCJVGMKIWQYAF-GXFFZTMASA-N 1 0 357.252 2.404 20 5 FEBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000896579281 689900070 /nfs/dbraw/zinc/90/00/70/689900070.db2.gz BQFATQIUDJITHW-SMDDNHRTSA-N 1 0 362.455 2.174 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218244 689989412 /nfs/dbraw/zinc/98/94/12/689989412.db2.gz BPFFYISQCWYHAQ-QWHCGFSZSA-N 1 0 360.336 2.044 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CC23CC(O)C3)c1 ZINC000897843964 690089162 /nfs/dbraw/zinc/08/91/62/690089162.db2.gz KKHBGSLZBZIJQW-CPCZMJQVSA-N 1 0 374.178 2.202 20 5 FEBDRO CN1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897858273 690091813 /nfs/dbraw/zinc/09/18/13/690091813.db2.gz DVIFOFJAFNXTGT-UHFFFAOYSA-N 1 0 360.380 2.293 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)COc2c(F)cc(F)cc2[N+](=O)[O-])CC1 ZINC000902697239 690800086 /nfs/dbraw/zinc/80/00/86/690800086.db2.gz VBVDPFBZZYXOSB-UHFFFAOYSA-N 1 0 357.357 2.241 20 5 FEBDRO COc1ccc(OCCN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000903538266 690916754 /nfs/dbraw/zinc/91/67/54/690916754.db2.gz AMIWEKFLTOAKAC-VXGBXAGGSA-N 1 0 363.336 2.194 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000905622614 691153198 /nfs/dbraw/zinc/15/31/98/691153198.db2.gz DFECGYIPIFLUDE-CVEARBPZSA-N 1 0 350.415 2.416 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000908588790 691702085 /nfs/dbraw/zinc/70/20/85/691702085.db2.gz FEHMDSWPNQPHLG-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000413469808 719483107 /nfs/dbraw/zinc/48/31/07/719483107.db2.gz LOSGJIKHLAIZER-JKSUJKDBSA-N 1 0 358.373 2.315 20 5 FEBDRO Cc1c(C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771718 721148256 /nfs/dbraw/zinc/14/82/56/721148256.db2.gz SRGKFOWIDORSPP-DLBZAZTESA-N 1 0 370.457 2.298 20 5 FEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911988 721529104 /nfs/dbraw/zinc/52/91/04/721529104.db2.gz XYRUOKZXGBTCGO-GDBMZVCRSA-N 1 0 373.388 2.174 20 5 FEBDRO Cc1cc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164967256 722070039 /nfs/dbraw/zinc/07/00/39/722070039.db2.gz LFFDSQKIAZXHOP-BETUJISGSA-N 1 0 352.822 2.251 20 5 FEBDRO C[C@@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000511635223 795275638 /nfs/dbraw/zinc/27/56/38/795275638.db2.gz FBWRCMILNGFTCM-UKRRQHHQSA-N 1 0 356.430 2.102 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010139160 539513532 /nfs/dbraw/zinc/51/35/32/539513532.db2.gz PQXYJWOWWXJVDS-QGZVFWFLSA-N 1 0 358.398 2.218 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171287 539613374 /nfs/dbraw/zinc/61/33/74/539613374.db2.gz OQLCYYVPOMBELZ-CYBMUJFWSA-N 1 0 370.456 2.019 20 5 FEBDRO C[N@H+](CCOc1ccccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025697699 539766656 /nfs/dbraw/zinc/76/66/56/539766656.db2.gz QBRUMGJCDXDFOU-HNNXBMFYSA-N 1 0 364.373 2.484 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000028840403 539838395 /nfs/dbraw/zinc/83/83/95/539838395.db2.gz POMJMOLRJQUJEV-KRWDZBQOSA-N 1 0 357.410 2.263 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000033089626 539966858 /nfs/dbraw/zinc/96/68/58/539966858.db2.gz ANOZWFZMNGWUOE-UHFFFAOYSA-N 1 0 353.382 2.463 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041787915 540033176 /nfs/dbraw/zinc/03/31/76/540033176.db2.gz WZSCVISBBOFCRB-CQSZACIVSA-N 1 0 362.430 2.162 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCC2)cc1OC ZINC000046855677 540273664 /nfs/dbraw/zinc/27/36/64/540273664.db2.gz QCHLWRJFENZMHX-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047387135 540307035 /nfs/dbraw/zinc/30/70/35/540307035.db2.gz GNPMZEIUQSVBAO-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000047459636 540312658 /nfs/dbraw/zinc/31/26/58/540312658.db2.gz YOKFAGNYYLEQHT-GOSISDBHSA-N 1 0 363.458 2.391 20 5 FEBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCC1 ZINC000054373823 540587008 /nfs/dbraw/zinc/58/70/08/540587008.db2.gz RFPJXENTPHFHGN-INIZCTEOSA-N 1 0 358.398 2.498 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1C ZINC000055245897 540640004 /nfs/dbraw/zinc/64/00/04/540640004.db2.gz MTNGAJKSRANQDV-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197325 540710951 /nfs/dbraw/zinc/71/09/51/540710951.db2.gz LAMFKUTYFHMKIM-NEPJUHHUSA-N 1 0 356.382 2.372 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1OC ZINC000057715252 540810915 /nfs/dbraw/zinc/81/09/15/540810915.db2.gz UYMQTFZHQIBFGD-LLVKDONJSA-N 1 0 351.403 2.215 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000058274317 540836988 /nfs/dbraw/zinc/83/69/88/540836988.db2.gz IGSRGTIJVKDZAK-AWEZNQCLSA-N 1 0 371.441 2.457 20 5 FEBDRO CC(C)(C)CC[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000059744660 540865735 /nfs/dbraw/zinc/86/57/35/540865735.db2.gz ORTDJNWYVJADQQ-QGZVFWFLSA-N 1 0 365.474 2.388 20 5 FEBDRO CCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000060485112 541114183 /nfs/dbraw/zinc/11/41/83/541114183.db2.gz PHCNCUMRLINNSS-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060950642 541124273 /nfs/dbraw/zinc/12/42/73/541124273.db2.gz UAQZTNXGZLEGGI-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000061502449 541131651 /nfs/dbraw/zinc/13/16/51/541131651.db2.gz DQFFTCIVHDNSSE-SFHVURJKSA-N 1 0 371.441 2.443 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000063843850 541188592 /nfs/dbraw/zinc/18/85/92/541188592.db2.gz KCMNKECNOKIYCQ-UHFFFAOYSA-N 1 0 359.430 2.340 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000065675020 541252274 /nfs/dbraw/zinc/25/22/74/541252274.db2.gz ONTPMBPCDFHKOL-STQMWFEESA-N 1 0 365.430 2.462 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000065685158 541253284 /nfs/dbraw/zinc/25/32/84/541253284.db2.gz PKTDJZASEAPVJA-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000065876540 541267826 /nfs/dbraw/zinc/26/78/26/541267826.db2.gz MUMUYTZQTQDCOB-UHFFFAOYSA-N 1 0 363.462 2.214 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000066105997 541282458 /nfs/dbraw/zinc/28/24/58/541282458.db2.gz FHRYCGQGUHFNGK-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO CCc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000066593490 541342974 /nfs/dbraw/zinc/34/29/74/541342974.db2.gz CUKNKQTUBVDUIO-UHFFFAOYSA-N 1 0 369.468 2.287 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066630143 541350692 /nfs/dbraw/zinc/35/06/92/541350692.db2.gz JLHCYYFASSPPFO-CHWSQXEVSA-N 1 0 363.414 2.216 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066644840 541354203 /nfs/dbraw/zinc/35/42/03/541354203.db2.gz JLTGYQFDYQUWKE-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO CCCCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000067949418 541532192 /nfs/dbraw/zinc/53/21/92/541532192.db2.gz YLSAGNVEFDDISJ-UHFFFAOYSA-N 1 0 358.464 2.037 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000068779028 541627136 /nfs/dbraw/zinc/62/71/36/541627136.db2.gz AQXJYZNWSYXNKR-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069124586 541660348 /nfs/dbraw/zinc/66/03/48/541660348.db2.gz ZBRDRFCCUQVXBW-QGZVFWFLSA-N 1 0 367.471 2.375 20 5 FEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000072724680 541858449 /nfs/dbraw/zinc/85/84/49/541858449.db2.gz UWHPFOPZEOVWAX-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000074073766 542034209 /nfs/dbraw/zinc/03/42/09/542034209.db2.gz IFPIAUJTWNWYDI-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000074136764 542042521 /nfs/dbraw/zinc/04/25/21/542042521.db2.gz UPQCMUNMGPAJMI-OAHLLOKOSA-N 1 0 359.430 2.487 20 5 FEBDRO Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000076329550 542260822 /nfs/dbraw/zinc/26/08/22/542260822.db2.gz VEQNBTQAJMHKRB-UHFFFAOYSA-N 1 0 363.462 2.393 20 5 FEBDRO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000076331273 542261302 /nfs/dbraw/zinc/26/13/02/542261302.db2.gz UGYILFFHJATEKL-GFCCVEGCSA-N 1 0 369.853 2.253 20 5 FEBDRO C[N@H+](CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000077302661 542364362 /nfs/dbraw/zinc/36/43/62/542364362.db2.gz PTYQPHPNNABQRF-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047144326 208373699 /nfs/dbraw/zinc/37/36/99/208373699.db2.gz NFWQNYYGTNMKCS-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CCOCC1 ZINC000077356723 542372036 /nfs/dbraw/zinc/37/20/36/542372036.db2.gz SEJRQIMXCUBPLL-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080095055 542564128 /nfs/dbraw/zinc/56/41/28/542564128.db2.gz HIXWFESRPULEOI-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932841 542776112 /nfs/dbraw/zinc/77/61/12/542776112.db2.gz TVSLTQCTWGMTNF-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932838 542775132 /nfs/dbraw/zinc/77/51/32/542775132.db2.gz TVSLTQCTWGMTNF-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO CN(CCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092652805 542877996 /nfs/dbraw/zinc/87/79/96/542877996.db2.gz UAUYNMVUPWNSHR-UHFFFAOYSA-N 1 0 358.389 2.270 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000103092502 543091867 /nfs/dbraw/zinc/09/18/67/543091867.db2.gz SRPZOANSBRELGY-OAHLLOKOSA-N 1 0 363.462 2.365 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000103451635 543107969 /nfs/dbraw/zinc/10/79/69/543107969.db2.gz DQHCZSFKLDGBAR-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106864454 543250712 /nfs/dbraw/zinc/25/07/12/543250712.db2.gz FAKFZRXLOMVLEM-DOMZBBRYSA-N 1 0 351.403 2.167 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107892526 543281050 /nfs/dbraw/zinc/28/10/50/543281050.db2.gz AUGPTXOMSKLPJO-CQSZACIVSA-N 1 0 367.471 2.295 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108401245 543289014 /nfs/dbraw/zinc/28/90/14/543289014.db2.gz CQYLJHNOBZRSIZ-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000108491919 543292063 /nfs/dbraw/zinc/29/20/63/543292063.db2.gz FYVAFYSPEWEACP-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)[NH+](C)C)cc1 ZINC000109220021 543318399 /nfs/dbraw/zinc/31/83/99/543318399.db2.gz CEDFLQLFKHUIOG-KRWDZBQOSA-N 1 0 373.457 2.471 20 5 FEBDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221045 543385944 /nfs/dbraw/zinc/38/59/44/543385944.db2.gz QAUBZJATKIPMQZ-OCCSQVGLSA-N 1 0 358.398 2.378 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113301316 543482998 /nfs/dbraw/zinc/48/29/98/543482998.db2.gz GKQDLXALOKESSC-OAHLLOKOSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000116651364 543612366 /nfs/dbraw/zinc/61/23/66/543612366.db2.gz CGSVNXWCIRWPAG-ZDUSSCGKSA-N 1 0 351.451 2.179 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000123090068 543741185 /nfs/dbraw/zinc/74/11/85/543741185.db2.gz YXVRROSAPCOSOB-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000123792030 543783424 /nfs/dbraw/zinc/78/34/24/543783424.db2.gz LRASCVSPZHMPLA-HOCLYGCPSA-N 1 0 371.441 2.453 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000123791789 543783459 /nfs/dbraw/zinc/78/34/59/543783459.db2.gz LRASCVSPZHMPLA-ZBFHGGJFSA-N 1 0 371.441 2.453 20 5 FEBDRO Cc1cc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000124094896 543800931 /nfs/dbraw/zinc/80/09/31/543800931.db2.gz GCVPKTANTHZEFD-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000124836800 543845914 /nfs/dbraw/zinc/84/59/14/543845914.db2.gz XQGUWSZBQZVXJT-RISCZKNCSA-N 1 0 363.443 2.203 20 5 FEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000125548500 543887653 /nfs/dbraw/zinc/88/76/53/543887653.db2.gz HFMNUBXXUZTDIB-UHFFFAOYSA-N 1 0 365.430 2.249 20 5 FEBDRO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000126187404 543922450 /nfs/dbraw/zinc/92/24/50/543922450.db2.gz VSEHDTBPTLECAM-SFHVURJKSA-N 1 0 358.442 2.118 20 5 FEBDRO C[C@H]1C[NH2+]CCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000126344255 543931409 /nfs/dbraw/zinc/93/14/09/543931409.db2.gz BUPLCSRWSHJCSM-JTQLQIEISA-N 1 0 360.336 2.236 20 5 FEBDRO CCOC(=O)c1cc(NCC[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000128071137 544030947 /nfs/dbraw/zinc/03/09/47/544030947.db2.gz RGVKRMBQTXEPFK-UHFFFAOYSA-N 1 0 351.403 2.294 20 5 FEBDRO O=C(CC[NH+]1CCC(c2nnc[nH]2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128864858 544077848 /nfs/dbraw/zinc/07/78/48/544077848.db2.gz PLMYHBGXOXXZCM-UHFFFAOYSA-N 1 0 362.365 2.060 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000130762888 544163768 /nfs/dbraw/zinc/16/37/68/544163768.db2.gz FYQJARHVKMXBBD-UHFFFAOYSA-N 1 0 355.460 2.403 20 5 FEBDRO COc1ccc(-c2ccc(CNC[C@](C)(O)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000131492798 544191804 /nfs/dbraw/zinc/19/18/04/544191804.db2.gz PSNBSPPNVLEUDV-SFHVURJKSA-N 1 0 363.414 2.266 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135507540 544349966 /nfs/dbraw/zinc/34/99/66/544349966.db2.gz ZSBOYMPWAUNBMH-HNNXBMFYSA-N 1 0 357.414 2.131 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000136948777 544381436 /nfs/dbraw/zinc/38/14/36/544381436.db2.gz VILFZKFLJCEGHP-GFCCVEGCSA-N 1 0 353.444 2.195 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146588805 544440511 /nfs/dbraw/zinc/44/05/11/544440511.db2.gz PDJSRASEPQQVCG-LLVKDONJSA-N 1 0 359.835 2.107 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152299621 544635743 /nfs/dbraw/zinc/63/57/43/544635743.db2.gz HEQMZISOVCGCAP-LBPRGKRZSA-N 1 0 369.219 2.047 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152875512 544706225 /nfs/dbraw/zinc/70/62/25/544706225.db2.gz RPDLCFHFOMIBDF-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903706 544709722 /nfs/dbraw/zinc/70/97/22/544709722.db2.gz YPTQNGSLKUDREL-DLBZAZTESA-N 1 0 350.415 2.226 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000153960970 544845085 /nfs/dbraw/zinc/84/50/85/544845085.db2.gz NTJACHNJXPQNIX-HNNXBMFYSA-N 1 0 371.441 2.488 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000154715329 544939568 /nfs/dbraw/zinc/93/95/68/544939568.db2.gz CGALQKCVWYYMPZ-KDOFPFPSSA-N 1 0 369.425 2.337 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000804343820 674281436 /nfs/dbraw/zinc/28/14/36/674281436.db2.gz FPPFXYFJWLGOKT-ZDUSSCGKSA-N 1 0 350.375 2.194 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183726812 327832668 /nfs/dbraw/zinc/83/26/68/327832668.db2.gz GRYXCCOCTHESDR-HOTGVXAUSA-N 1 0 352.431 2.255 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000553893502 674292525 /nfs/dbraw/zinc/29/25/25/674292525.db2.gz TZKHBSUHJRJRPK-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000187050808 327999421 /nfs/dbraw/zinc/99/94/21/327999421.db2.gz RVNIXZJUQZIIMD-AWEZNQCLSA-N 1 0 362.430 2.280 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187186851 328007646 /nfs/dbraw/zinc/00/76/46/328007646.db2.gz JXFYKGKEDHQBIA-ACJLOTCBSA-N 1 0 359.430 2.297 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188033193 328061675 /nfs/dbraw/zinc/06/16/75/328061675.db2.gz WHZBBFHXBHPOCJ-SJCJKPOMSA-N 1 0 351.403 2.025 20 5 FEBDRO CSc1cccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000188255032 328076182 /nfs/dbraw/zinc/07/61/82/328076182.db2.gz YBDQMDMNJIYOQK-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188613284 328098760 /nfs/dbraw/zinc/09/87/60/328098760.db2.gz ZCQDQWNMOLAGCI-CYBMUJFWSA-N 1 0 350.419 2.098 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000188840556 328113510 /nfs/dbraw/zinc/11/35/10/328113510.db2.gz YEHZVDPYHZEXGL-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189410942 328146529 /nfs/dbraw/zinc/14/65/29/328146529.db2.gz HXICWQQPHWPLJG-OAHLLOKOSA-N 1 0 351.447 2.141 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000190662483 328223306 /nfs/dbraw/zinc/22/33/06/328223306.db2.gz YEOLEDZHWWCJMG-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)n1 ZINC000191464312 328266896 /nfs/dbraw/zinc/26/68/96/328266896.db2.gz NMOLRXLBCJPOJY-UHFFFAOYSA-N 1 0 372.429 2.124 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191897241 328287539 /nfs/dbraw/zinc/28/75/39/328287539.db2.gz DZTPBVKBHYLNFW-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000192037999 328295902 /nfs/dbraw/zinc/29/59/02/328295902.db2.gz FVFPSAFJVIUOJH-GHMZBOCLSA-N 1 0 374.363 2.246 20 5 FEBDRO COc1cccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000192683307 328333025 /nfs/dbraw/zinc/33/30/25/328333025.db2.gz NNEQJHKAINHKSH-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000192884255 328345134 /nfs/dbraw/zinc/34/51/34/328345134.db2.gz UVWZPHQBBJRKBG-CYBMUJFWSA-N 1 0 362.430 2.158 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000193709282 328390762 /nfs/dbraw/zinc/39/07/62/328390762.db2.gz SNJBLEWZZIOHGS-KRWDZBQOSA-N 1 0 372.421 2.444 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193917868 328401890 /nfs/dbraw/zinc/40/18/90/328401890.db2.gz HTKRROWTUYPOPN-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048773123 324674397 /nfs/dbraw/zinc/67/43/97/324674397.db2.gz LGYAVXKPKWRWNC-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057004370 324817657 /nfs/dbraw/zinc/81/76/57/324817657.db2.gz QVDMWXURZPNECJ-UHFFFAOYSA-N 1 0 369.425 2.454 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000061164574 324854530 /nfs/dbraw/zinc/85/45/30/324854530.db2.gz KOXQUNOAKIKBTM-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000077314803 324984741 /nfs/dbraw/zinc/98/47/41/324984741.db2.gz CRCPOJBRZPPMEW-QGZVFWFLSA-N 1 0 358.442 2.044 20 5 FEBDRO COc1cc(OCC(=O)NCC[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000237226282 328509135 /nfs/dbraw/zinc/50/91/35/328509135.db2.gz CDZOSHCOTQUJOC-UHFFFAOYSA-N 1 0 365.430 2.411 20 5 FEBDRO Cc1c(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1C1CC[NH2+]CC1 ZINC000237371938 328514129 /nfs/dbraw/zinc/51/41/29/328514129.db2.gz VXPZNXOJJFNBPE-GFCCVEGCSA-N 1 0 372.429 2.219 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000089393700 325314858 /nfs/dbraw/zinc/31/48/58/325314858.db2.gz VBGRPRWNXMZRER-UHFFFAOYSA-N 1 0 372.429 2.312 20 5 FEBDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522323 325362060 /nfs/dbraw/zinc/36/20/60/325362060.db2.gz OEFUMFDRWPZANK-MRXNPFEDSA-N 1 0 357.410 2.472 20 5 FEBDRO CCC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000090798717 325368636 /nfs/dbraw/zinc/36/86/36/325368636.db2.gz LCGLVBZBPUDGLE-CVEARBPZSA-N 1 0 355.460 2.450 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000090882502 325369218 /nfs/dbraw/zinc/36/92/18/325369218.db2.gz DEFFUSBYEQYAAW-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO Cn1cc(C[NH2+]CCCC(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237911052 328533875 /nfs/dbraw/zinc/53/38/75/328533875.db2.gz ZMCGESVQYDHKFS-UHFFFAOYSA-N 1 0 357.414 2.144 20 5 FEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000092692793 325422713 /nfs/dbraw/zinc/42/27/13/325422713.db2.gz ZHSLVHIAIKDSTQ-UHFFFAOYSA-N 1 0 358.402 2.092 20 5 FEBDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000102648595 325496396 /nfs/dbraw/zinc/49/63/96/325496396.db2.gz QSUOGHTUGYDLNQ-STQMWFEESA-N 1 0 351.403 2.149 20 5 FEBDRO COc1cc(OCC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000107601433 325630745 /nfs/dbraw/zinc/63/07/45/325630745.db2.gz OBYDUAIWHLTWDX-AWEZNQCLSA-N 1 0 363.414 2.069 20 5 FEBDRO CN1CCN(C(=O)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000109788987 325677464 /nfs/dbraw/zinc/67/74/64/325677464.db2.gz VJZOHHMYJPDPKS-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO CCC(CC)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH2+][C@H](C)c1ccccc1 ZINC000113189799 325828328 /nfs/dbraw/zinc/82/83/28/325828328.db2.gz NFDMNFAIQJRTPK-CQSZACIVSA-N 1 0 374.445 2.212 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843825 326107909 /nfs/dbraw/zinc/10/79/09/326107909.db2.gz OJOGLGULLPDYFY-ZIAGYGMSSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000118896119 326111010 /nfs/dbraw/zinc/11/10/10/326111010.db2.gz RAYSONHCEBIGBG-ZDUSSCGKSA-N 1 0 362.430 2.080 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119979307 326217784 /nfs/dbraw/zinc/21/77/84/326217784.db2.gz VKRCSXVUJWDCIO-CQSZACIVSA-N 1 0 350.419 2.444 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000120178287 326238135 /nfs/dbraw/zinc/23/81/35/326238135.db2.gz QJLCXCNWQHVEQK-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO C[NH2+]CCN(C)C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000120283647 326246466 /nfs/dbraw/zinc/24/64/66/326246466.db2.gz YYDJKEPLWULMOV-UHFFFAOYSA-N 1 0 372.212 2.379 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000120523086 326265838 /nfs/dbraw/zinc/26/58/38/326265838.db2.gz JGLMBQBQNRLIIF-YPMHNXCESA-N 1 0 351.403 2.024 20 5 FEBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000120802174 326289395 /nfs/dbraw/zinc/28/93/95/326289395.db2.gz JHHAXNWUBWSCLJ-UHFFFAOYSA-N 1 0 369.425 2.474 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000121147089 326317045 /nfs/dbraw/zinc/31/70/45/326317045.db2.gz LHTJMBNOUAHHIN-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000121806188 326368808 /nfs/dbraw/zinc/36/88/08/326368808.db2.gz WNTLRGPDUCOICT-AWEZNQCLSA-N 1 0 374.441 2.317 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122364681 326393845 /nfs/dbraw/zinc/39/38/45/326393845.db2.gz JIXLWIPEQMXRKN-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122395055 326395109 /nfs/dbraw/zinc/39/51/09/326395109.db2.gz UMQKGQJPBNHWNV-GDBMZVCRSA-N 1 0 367.471 2.262 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000124624469 326457337 /nfs/dbraw/zinc/45/73/37/326457337.db2.gz SERRPBMQYCHNBT-OAHLLOKOSA-N 1 0 359.386 2.423 20 5 FEBDRO C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124747726 326459524 /nfs/dbraw/zinc/45/95/24/326459524.db2.gz OWGCCCWVRJHVDJ-SCLBCKFNSA-N 1 0 362.430 2.160 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000125108485 326465316 /nfs/dbraw/zinc/46/53/16/326465316.db2.gz MTAPVXKXZOOUMO-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1c(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000126729353 326494101 /nfs/dbraw/zinc/49/41/01/326494101.db2.gz GPXFAJFPBXISEI-HNNXBMFYSA-N 1 0 373.409 2.457 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000133797088 326615036 /nfs/dbraw/zinc/61/50/36/326615036.db2.gz OLTZSOGHNKVHIB-UHFFFAOYSA-N 1 0 372.425 2.374 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000153495968 326734162 /nfs/dbraw/zinc/73/41/62/326734162.db2.gz OBCJMZINRVPODN-NXEZZACHSA-N 1 0 361.320 2.358 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000158904814 326911686 /nfs/dbraw/zinc/91/16/86/326911686.db2.gz PRLRXRTZLXRSTK-CYBMUJFWSA-N 1 0 357.414 2.067 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160161739 326955501 /nfs/dbraw/zinc/95/55/01/326955501.db2.gz DDHJOIQMSLVTRX-SJLPKXTDSA-N 1 0 361.442 2.401 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000162274052 327021123 /nfs/dbraw/zinc/02/11/23/327021123.db2.gz ADWYDLLEDAGJLQ-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000162910010 327037583 /nfs/dbraw/zinc/03/75/83/327037583.db2.gz VPLSRABVVLWGLA-UHFFFAOYSA-N 1 0 355.460 2.451 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1 ZINC000164797919 327074544 /nfs/dbraw/zinc/07/45/44/327074544.db2.gz ATYMHGVUFNIEEP-OAHLLOKOSA-N 1 0 373.409 2.457 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172463132 327202844 /nfs/dbraw/zinc/20/28/44/327202844.db2.gz PRSUTEDUDHJLJS-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619141 327211917 /nfs/dbraw/zinc/21/19/17/327211917.db2.gz QRLHOJNGJVEREI-ZFWWWQNUSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801018 327220031 /nfs/dbraw/zinc/22/00/31/327220031.db2.gz SCNIHANQMYYBAO-DZGCQCFKSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1ccc(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000173762416 327282284 /nfs/dbraw/zinc/28/22/84/327282284.db2.gz FEJGTHHDWRUOKH-MRXNPFEDSA-N 1 0 360.414 2.004 20 5 FEBDRO CC1CCC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)CC1 ZINC000173866650 327289779 /nfs/dbraw/zinc/28/97/79/327289779.db2.gz JBGMIQSOGDAPFR-RLNQZENFSA-N 1 0 366.462 2.212 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000174009518 327301188 /nfs/dbraw/zinc/30/11/88/327301188.db2.gz UNPJMLBLDLDQIZ-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO CCc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174227889 327314295 /nfs/dbraw/zinc/31/42/95/327314295.db2.gz SORPVVVJMCHLNB-SFHVURJKSA-N 1 0 362.474 2.159 20 5 FEBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727980 327346399 /nfs/dbraw/zinc/34/63/99/327346399.db2.gz ZXKHPZDSDSFNAE-OCCSQVGLSA-N 1 0 370.356 2.495 20 5 FEBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000175161503 327377585 /nfs/dbraw/zinc/37/75/85/327377585.db2.gz CGWGVXUDIOBUOB-CYBMUJFWSA-N 1 0 357.414 2.411 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000177856798 327549230 /nfs/dbraw/zinc/54/92/30/327549230.db2.gz OMHLIGLQPFOTGD-ZDUSSCGKSA-N 1 0 355.460 2.368 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178125809 327566903 /nfs/dbraw/zinc/56/69/03/327566903.db2.gz MGYLWRUEHFGZIS-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178125801 327566910 /nfs/dbraw/zinc/56/69/10/327566910.db2.gz MGYLWRUEHFGZIS-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000261876708 328826228 /nfs/dbraw/zinc/82/62/28/328826228.db2.gz SWYDACGLFXYFAX-RKDXNWHRSA-N 1 0 359.329 2.014 20 5 FEBDRO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000261889610 328827466 /nfs/dbraw/zinc/82/74/66/328827466.db2.gz XIRLYXDOOASQDI-VHSXEESVSA-N 1 0 365.415 2.167 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000264742692 329055533 /nfs/dbraw/zinc/05/55/33/329055533.db2.gz RNHXCYZCXZBOKJ-UHFFFAOYSA-N 1 0 353.444 2.421 20 5 FEBDRO Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264957437 329078328 /nfs/dbraw/zinc/07/83/28/329078328.db2.gz WUWGWXOEQBKULM-HNNXBMFYSA-N 1 0 370.457 2.408 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000264970007 329079477 /nfs/dbraw/zinc/07/94/77/329079477.db2.gz YUHPMSZVSQYKKJ-UHFFFAOYSA-N 1 0 362.352 2.389 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566466 329236839 /nfs/dbraw/zinc/23/68/39/329236839.db2.gz RLQDHQZYPFLRAC-KBPBESRZSA-N 1 0 363.414 2.311 20 5 FEBDRO C[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266569073 329237202 /nfs/dbraw/zinc/23/72/02/329237202.db2.gz KXFBSFGBGOOQGH-CQSZACIVSA-N 1 0 369.219 2.047 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266734437 329254080 /nfs/dbraw/zinc/25/40/80/329254080.db2.gz OMIFDYDISZMTPU-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1cc(OCC(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000267174262 329299464 /nfs/dbraw/zinc/29/94/64/329299464.db2.gz AFYFEVSWZIESSK-UHFFFAOYSA-N 1 0 360.370 2.078 20 5 FEBDRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183586 329300258 /nfs/dbraw/zinc/30/02/58/329300258.db2.gz NGSQBHMYAGXUAP-MLGOLLRUSA-N 1 0 352.460 2.392 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCC(O)CC2)c(Br)c1 ZINC000267278368 329309892 /nfs/dbraw/zinc/30/98/92/329309892.db2.gz UQKJMBXZFXXQGS-UHFFFAOYSA-N 1 0 359.224 2.011 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000267293763 329311598 /nfs/dbraw/zinc/31/15/98/329311598.db2.gz CZIPIUPPTPOQRQ-UONOGXRCSA-N 1 0 350.419 2.275 20 5 FEBDRO CNC(=O)c1ccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912093 329367775 /nfs/dbraw/zinc/36/77/75/329367775.db2.gz GHMMLNFOJFFKMC-KBPBESRZSA-N 1 0 364.446 2.256 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000268065916 329382026 /nfs/dbraw/zinc/38/20/26/329382026.db2.gz BXNDQOXEMXYZFO-HNNXBMFYSA-N 1 0 372.878 2.485 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268070570 329382316 /nfs/dbraw/zinc/38/23/16/329382316.db2.gz DUICUGSBKKYJPJ-UHFFFAOYSA-N 1 0 370.837 2.158 20 5 FEBDRO CSc1ccc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268492649 329426674 /nfs/dbraw/zinc/42/66/74/329426674.db2.gz RYZLSIYGOLKCSY-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269191819 329495017 /nfs/dbraw/zinc/49/50/17/329495017.db2.gz KOOUIFMDSSWWST-MNOVXSKESA-N 1 0 354.204 2.324 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000273370767 329859539 /nfs/dbraw/zinc/85/95/39/329859539.db2.gz CPOMMEJPQQNDEP-KPXOXKRLSA-N 1 0 354.204 2.167 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+]1CCCC1 ZINC000274187947 329924399 /nfs/dbraw/zinc/92/43/99/329924399.db2.gz LGPDTCXCQNPUPD-GJZGRUSLSA-N 1 0 364.471 2.137 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000275692474 330078475 /nfs/dbraw/zinc/07/84/75/330078475.db2.gz AUFABHHBRTWHNP-UHFFFAOYSA-N 1 0 360.458 2.412 20 5 FEBDRO COC(=O)c1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000276506995 330159447 /nfs/dbraw/zinc/15/94/47/330159447.db2.gz DFNNAAPDRFLHSW-UHFFFAOYSA-N 1 0 370.409 2.489 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821023 330208143 /nfs/dbraw/zinc/20/81/43/330208143.db2.gz SLDRKOSWJANOFC-QAPCUYQASA-N 1 0 371.441 2.160 20 5 FEBDRO CC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199954 330229109 /nfs/dbraw/zinc/22/91/09/330229109.db2.gz FOEQURCXUXNGAB-RHSMWYFYSA-N 1 0 360.458 2.260 20 5 FEBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOC[C@H]1C1CC1 ZINC000367239686 330234631 /nfs/dbraw/zinc/23/46/31/330234631.db2.gz FCJKPNKPGOEINS-SFHVURJKSA-N 1 0 359.426 2.197 20 5 FEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461429 330245014 /nfs/dbraw/zinc/24/50/14/330245014.db2.gz XWFNYAWNDVZEAF-YJBOKZPZSA-N 1 0 360.414 2.295 20 5 FEBDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411379221 330256010 /nfs/dbraw/zinc/25/60/10/330256010.db2.gz DTJHFIHSFIBJSY-CQSZACIVSA-N 1 0 370.409 2.472 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000155584544 545545418 /nfs/dbraw/zinc/54/54/18/545545418.db2.gz DEQKLCMEYIHPEC-OAHLLOKOSA-N 1 0 357.414 2.418 20 5 FEBDRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157580269 545758329 /nfs/dbraw/zinc/75/83/29/545758329.db2.gz PKWALORGACYHAL-INIZCTEOSA-N 1 0 365.430 2.359 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158180412 545832359 /nfs/dbraw/zinc/83/23/59/545832359.db2.gz JNCKQSXDDHYRHY-CQSZACIVSA-N 1 0 354.204 2.183 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000158904659 545904716 /nfs/dbraw/zinc/90/47/16/545904716.db2.gz PRLRXRTZLXRSTK-ZDUSSCGKSA-N 1 0 357.414 2.067 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000159007891 545913514 /nfs/dbraw/zinc/91/35/14/545913514.db2.gz RLMIZBRTAQOQHW-GFCCVEGCSA-N 1 0 350.375 2.191 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175677828 546332385 /nfs/dbraw/zinc/33/23/85/546332385.db2.gz LHICGVGURMOWIJ-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000176115711 546409639 /nfs/dbraw/zinc/40/96/39/546409639.db2.gz XGKNSBFCRJABEG-UHFFFAOYSA-N 1 0 364.446 2.467 20 5 FEBDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176244845 546423980 /nfs/dbraw/zinc/42/39/80/546423980.db2.gz SHAHQJOVOQTMMK-MRXNPFEDSA-N 1 0 355.439 2.320 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176714961 546479441 /nfs/dbraw/zinc/47/94/41/546479441.db2.gz OUMVRMSTZYIKFA-AWEZNQCLSA-N 1 0 352.435 2.184 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000480505947 561210785 /nfs/dbraw/zinc/21/07/85/561210785.db2.gz QBTBENGITNDBER-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177540310 546640657 /nfs/dbraw/zinc/64/06/57/546640657.db2.gz ZEMMABGOQVPBID-VXGBXAGGSA-N 1 0 351.403 2.215 20 5 FEBDRO CN(C(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177926192 546708667 /nfs/dbraw/zinc/70/86/67/546708667.db2.gz QISJREBSNCROIP-FRQCXROJSA-N 1 0 372.469 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000177999838 546719734 /nfs/dbraw/zinc/71/97/34/546719734.db2.gz DQCGFHSEGRFVLP-KRWDZBQOSA-N 1 0 361.423 2.150 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178689770 546832519 /nfs/dbraw/zinc/83/25/19/546832519.db2.gz LIBDMRAMMDLESV-OLZOCXBDSA-N 1 0 350.419 2.424 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000182512272 547506274 /nfs/dbraw/zinc/50/62/74/547506274.db2.gz ROCUGKYAIISWTP-OAHLLOKOSA-N 1 0 358.394 2.401 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1-n1cccn1 ZINC000183137174 547608354 /nfs/dbraw/zinc/60/83/54/547608354.db2.gz KABJRGBBOQMJTM-AWEZNQCLSA-N 1 0 353.382 2.293 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183390296 547649218 /nfs/dbraw/zinc/64/92/18/547649218.db2.gz VNIKPSNEZCGREN-GHMZBOCLSA-N 1 0 361.402 2.323 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183439226 547659408 /nfs/dbraw/zinc/65/94/08/547659408.db2.gz MSNUEVJHLZPNCA-SFHVURJKSA-N 1 0 369.421 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000183636826 547693683 /nfs/dbraw/zinc/69/36/83/547693683.db2.gz ATHPMEVPSADXKU-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617152 561301288 /nfs/dbraw/zinc/30/12/88/561301288.db2.gz MDXZGXVJIWMGQC-NZVBXONLSA-N 1 0 371.821 2.359 20 5 FEBDRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184171935 547781459 /nfs/dbraw/zinc/78/14/59/547781459.db2.gz XTFZWVRHMGKDOG-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO COC(=O)c1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000184828335 547884260 /nfs/dbraw/zinc/88/42/60/547884260.db2.gz VJUVREPAIRAJHF-AWEZNQCLSA-N 1 0 364.446 2.128 20 5 FEBDRO C[N@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000485439480 561319197 /nfs/dbraw/zinc/31/91/97/561319197.db2.gz NVDLNWFYSGQZSC-INIZCTEOSA-N 1 0 351.472 2.471 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CO)CC(C)C ZINC000185372030 547976459 /nfs/dbraw/zinc/97/64/59/547976459.db2.gz RIKHGWGRUYZNQY-AWEZNQCLSA-N 1 0 353.419 2.271 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000186166184 548093412 /nfs/dbraw/zinc/09/34/12/548093412.db2.gz GEHSMBUIXDDWEL-LJQANCHMSA-N 1 0 356.426 2.371 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186777076 548189708 /nfs/dbraw/zinc/18/97/08/548189708.db2.gz YTKTXTUEWBAOSX-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187002519 548238516 /nfs/dbraw/zinc/23/85/16/548238516.db2.gz DQSGZNBIOCCXQG-VXGBXAGGSA-N 1 0 350.419 2.182 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000193099444 548380396 /nfs/dbraw/zinc/38/03/96/548380396.db2.gz QRZUCXLNTYJPIO-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194736914 548523372 /nfs/dbraw/zinc/52/33/72/548523372.db2.gz MOHCRJFPXDJVBS-OAHLLOKOSA-N 1 0 354.410 2.429 20 5 FEBDRO CCc1nn(C)c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000195271006 548607842 /nfs/dbraw/zinc/60/78/42/548607842.db2.gz NWXJRIQXCKICHI-MRXNPFEDSA-N 1 0 373.457 2.460 20 5 FEBDRO CC(C)[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1C ZINC000487104351 561363826 /nfs/dbraw/zinc/36/38/26/561363826.db2.gz ZURSMPJJYXOXSQ-QGZVFWFLSA-N 1 0 371.441 2.336 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487072510 561362927 /nfs/dbraw/zinc/36/29/27/561362927.db2.gz CQSCXHJIWZOUCF-HNNXBMFYSA-N 1 0 350.419 2.085 20 5 FEBDRO CC[C@H]1CN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000487210808 561366230 /nfs/dbraw/zinc/36/62/30/561366230.db2.gz YHVBNEQQYJQFHL-AWEZNQCLSA-N 1 0 359.373 2.397 20 5 FEBDRO CNC(=O)[C@@]1(C)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000228099257 548753608 /nfs/dbraw/zinc/75/36/08/548753608.db2.gz ASHZNBBONXTNDQ-AWEZNQCLSA-N 1 0 356.220 2.315 20 5 FEBDRO CCC[NH2+]CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000236842131 548783629 /nfs/dbraw/zinc/78/36/29/548783629.db2.gz FYWNQHZWSNNCKO-UHFFFAOYSA-N 1 0 359.430 2.186 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237311723 548817716 /nfs/dbraw/zinc/81/77/16/548817716.db2.gz GMZKEGQEZPSHSO-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237637297 548841800 /nfs/dbraw/zinc/84/18/00/548841800.db2.gz NALIAOPXKLANCY-UHFFFAOYSA-N 1 0 371.441 2.458 20 5 FEBDRO [NH3+]CCNC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237878730 548861211 /nfs/dbraw/zinc/86/12/11/548861211.db2.gz ZGVNCHVWWZYAOW-UHFFFAOYSA-N 1 0 365.393 2.065 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245540776 548941772 /nfs/dbraw/zinc/94/17/72/548941772.db2.gz IOWWPAVPKHHNLP-HEHGZKQESA-N 1 0 365.430 2.413 20 5 FEBDRO CC(C)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000488013625 561381299 /nfs/dbraw/zinc/38/12/99/561381299.db2.gz WVADBRKNYAHMCP-HNNXBMFYSA-N 1 0 354.838 2.459 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246046014 549041315 /nfs/dbraw/zinc/04/13/15/549041315.db2.gz BVRABYTUQSHBEA-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C2CC2)c1 ZINC000246741636 549201038 /nfs/dbraw/zinc/20/10/38/549201038.db2.gz PDWUADNYYCOCRT-QZTJIDSGSA-N 1 0 350.415 2.116 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000246806119 549216815 /nfs/dbraw/zinc/21/68/15/549216815.db2.gz AJBXVDKDKQFQNF-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000246824046 549221944 /nfs/dbraw/zinc/22/19/44/549221944.db2.gz BIBNLXLYNYYQCM-TZMCWYRMSA-N 1 0 355.460 2.172 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247122873 549287431 /nfs/dbraw/zinc/28/74/31/549287431.db2.gz YXVRROSAPCOSOB-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[C@@H]1CN(CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000489086203 561403025 /nfs/dbraw/zinc/40/30/25/561403025.db2.gz WYLKSBJNZRCZRH-CQSZACIVSA-N 1 0 350.419 2.444 20 5 FEBDRO CC[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000247275269 549309434 /nfs/dbraw/zinc/30/94/34/549309434.db2.gz YGWGDBSBYQSYPS-HOCLYGCPSA-N 1 0 363.458 2.437 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247294080 549312932 /nfs/dbraw/zinc/31/29/32/549312932.db2.gz FERREZRCHLPFFU-DOMZBBRYSA-N 1 0 364.427 2.372 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247631890 549367035 /nfs/dbraw/zinc/36/70/35/549367035.db2.gz UVNYQATVNFVIEU-QWHZDKJVSA-N 1 0 371.441 2.064 20 5 FEBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000247698352 549373508 /nfs/dbraw/zinc/37/35/08/549373508.db2.gz XDUMSNRJFBRXRR-DGCLKSJQSA-N 1 0 353.448 2.173 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248035840 549401041 /nfs/dbraw/zinc/40/10/41/549401041.db2.gz RRAJWBLCTLMCBJ-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406107 549430311 /nfs/dbraw/zinc/43/03/11/549430311.db2.gz SBADKYXGSGFNMQ-UKRRQHHQSA-N 1 0 370.413 2.417 20 5 FEBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248478020 549448097 /nfs/dbraw/zinc/44/80/97/549448097.db2.gz ZAWBHXKGGXVMKS-HIFRSBDPSA-N 1 0 360.414 2.077 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)nc1 ZINC000248568703 549459657 /nfs/dbraw/zinc/45/96/57/549459657.db2.gz LNWSSGLSTMUDCD-SJLPKXTDSA-N 1 0 356.426 2.470 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCO[C@H]1C ZINC000489472066 561412345 /nfs/dbraw/zinc/41/23/45/561412345.db2.gz BVCZWGZEUTYOAJ-YOEHRIQHSA-N 1 0 365.430 2.358 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248964933 549532363 /nfs/dbraw/zinc/53/23/63/549532363.db2.gz BOFLMXSIBVZFSL-RYUDHWBXSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000249093933 549550764 /nfs/dbraw/zinc/55/07/64/549550764.db2.gz OJVJNYMPFVQLQH-KGLIPLIRSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249265189 549574484 /nfs/dbraw/zinc/57/44/84/549574484.db2.gz ZMMPRVTWZMFKJW-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000249489563 549595808 /nfs/dbraw/zinc/59/58/08/549595808.db2.gz DVOJTIFYXPWXGX-KGLIPLIRSA-N 1 0 360.414 2.137 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH2+]C[C@H]3c3cccnc3)n2)cc1 ZINC000261633901 549736962 /nfs/dbraw/zinc/73/69/62/549736962.db2.gz FBJYFPCFTRFARG-INIZCTEOSA-N 1 0 366.381 2.186 20 5 FEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000261650611 549738936 /nfs/dbraw/zinc/73/89/36/549738936.db2.gz DDDPAFGUWRUKCK-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000262228545 549801009 /nfs/dbraw/zinc/80/10/09/549801009.db2.gz NOWBVOAKKXCBPE-CVEARBPZSA-N 1 0 355.394 2.418 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262901568 549860874 /nfs/dbraw/zinc/86/08/74/549860874.db2.gz PSBVZURKDIFBRF-KOLCDFICSA-N 1 0 356.220 2.157 20 5 FEBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490630236 561436394 /nfs/dbraw/zinc/43/63/94/561436394.db2.gz JWCRXQOYUFMXGM-RHSMWYFYSA-N 1 0 350.438 2.192 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491094350 561442858 /nfs/dbraw/zinc/44/28/58/561442858.db2.gz YNCXRHYQMWREJB-KRWDZBQOSA-N 1 0 350.438 2.336 20 5 FEBDRO O=C(CN1CCS[C@@H]2COCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999041 550142616 /nfs/dbraw/zinc/14/26/16/550142616.db2.gz YTAPDMLHABYWHU-GXTWGEPZSA-N 1 0 371.846 2.393 20 5 FEBDRO CCOc1cc(CN2CC[N@H+](CCC(=O)OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492583454 561451887 /nfs/dbraw/zinc/45/18/87/561451887.db2.gz OUUYMCAMKQPOID-CQSZACIVSA-N 1 0 365.430 2.063 20 5 FEBDRO Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000270078107 550247684 /nfs/dbraw/zinc/24/76/84/550247684.db2.gz JBUTXDXVNYBCQF-CQSZACIVSA-N 1 0 368.397 2.141 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000493892707 561458934 /nfs/dbraw/zinc/45/89/34/561458934.db2.gz YNHBWYUFVXYJSD-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000494005734 561460705 /nfs/dbraw/zinc/46/07/05/561460705.db2.gz CGQCXFHXIGIFNP-UKRRQHHQSA-N 1 0 357.414 2.204 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1[NH+](C)C ZINC000270850976 550313527 /nfs/dbraw/zinc/31/35/27/550313527.db2.gz PTBXMHRIOBBGMV-CABCVRRESA-N 1 0 360.439 2.261 20 5 FEBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538937 550456519 /nfs/dbraw/zinc/45/65/19/550456519.db2.gz RONGCKMOZDWFHZ-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000272599832 550460322 /nfs/dbraw/zinc/46/03/22/550460322.db2.gz XOQROVWKVAOBFP-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO COc1ccc(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272875412 550474965 /nfs/dbraw/zinc/47/49/65/550474965.db2.gz VSDZWEHDURBHDR-BETUJISGSA-N 1 0 366.418 2.224 20 5 FEBDRO O=[N+]([O-])c1c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc2sccn21 ZINC000273204797 550489704 /nfs/dbraw/zinc/48/97/04/550489704.db2.gz OPGBUGOKHKMQIC-AWEZNQCLSA-N 1 0 373.438 2.483 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000274120956 550524129 /nfs/dbraw/zinc/52/41/29/550524129.db2.gz WZKUUKKXFAIMJW-RYUDHWBXSA-N 1 0 367.402 2.109 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000276940272 550613596 /nfs/dbraw/zinc/61/35/96/550613596.db2.gz BIOLNEIBQSNANV-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1cc(C[NH2+]CCOCC(F)(F)C(F)F)c([N+](=O)[O-])cc1O ZINC000277533260 550681385 /nfs/dbraw/zinc/68/13/85/550681385.db2.gz VKSPCTWLGWSDDF-UHFFFAOYSA-N 1 0 356.272 2.316 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277552131 550683719 /nfs/dbraw/zinc/68/37/19/550683719.db2.gz MPFYDQWJNKLVAM-HNNXBMFYSA-N 1 0 364.446 2.014 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278196195 550759518 /nfs/dbraw/zinc/75/95/18/550759518.db2.gz PIBAITMZUWMLIL-CYBMUJFWSA-N 1 0 360.418 2.145 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000278555885 550798690 /nfs/dbraw/zinc/79/86/90/550798690.db2.gz MBRDKTSFWLCVFE-OLZOCXBDSA-N 1 0 350.419 2.130 20 5 FEBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225221 550866831 /nfs/dbraw/zinc/86/68/31/550866831.db2.gz IOFJLJAKPRNADY-JQHSSLGASA-N 1 0 359.426 2.495 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000279244621 550869112 /nfs/dbraw/zinc/86/91/12/550869112.db2.gz QUSFNDQYOZCGCG-ZIAGYGMSSA-N 1 0 350.394 2.157 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000279265885 550871486 /nfs/dbraw/zinc/87/14/86/550871486.db2.gz VOBDVUINWHIDCB-ZDUSSCGKSA-N 1 0 364.421 2.358 20 5 FEBDRO Cc1ccc([C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)cc1 ZINC000279882811 550939234 /nfs/dbraw/zinc/93/92/34/550939234.db2.gz CNWPORCMVKELOS-MJGOQNOKSA-N 1 0 367.409 2.235 20 5 FEBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000280301780 550978408 /nfs/dbraw/zinc/97/84/08/550978408.db2.gz SADFYJRNQOUIHG-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280355828 550984274 /nfs/dbraw/zinc/98/42/74/550984274.db2.gz IQCCWISXGGJESP-KBXCAEBGSA-N 1 0 363.414 2.112 20 5 FEBDRO CCc1nn(C)c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280618919 551013919 /nfs/dbraw/zinc/01/39/19/551013919.db2.gz YVYWTWCGHRDULI-IYBDPMFKSA-N 1 0 355.442 2.459 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[N@H+]2CC=CCC2)c(C)c([N+](=O)[O-])c1 ZINC000281099989 551063354 /nfs/dbraw/zinc/06/33/54/551063354.db2.gz SGMKGVFUXTVGIO-UHFFFAOYSA-N 1 0 362.386 2.073 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000281598362 551118513 /nfs/dbraw/zinc/11/85/13/551118513.db2.gz ABQJYFHXOPLWKG-LBPRGKRZSA-N 1 0 350.375 2.321 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000281784088 551142937 /nfs/dbraw/zinc/14/29/37/551142937.db2.gz NIMUYLLEVFGECW-UHFFFAOYSA-N 1 0 360.414 2.097 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000281861495 551149923 /nfs/dbraw/zinc/14/99/23/551149923.db2.gz VLYBSCWZXOJUEQ-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000497542815 561503428 /nfs/dbraw/zinc/50/34/28/561503428.db2.gz RBGNSGBNCZJVMX-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C2)CC1 ZINC000497555324 561503684 /nfs/dbraw/zinc/50/36/84/561503684.db2.gz WEJAXEOPZCBSBR-CQSZACIVSA-N 1 0 367.471 2.166 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000284433826 551548255 /nfs/dbraw/zinc/54/82/55/551548255.db2.gz YTTAEWMLLLVZFE-IHPCNDPISA-N 1 0 371.437 2.370 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@H]1C ZINC000498552938 561527929 /nfs/dbraw/zinc/52/79/29/561527929.db2.gz DGIFDMQJZGQNJY-OLZOCXBDSA-N 1 0 372.429 2.039 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247894 551865536 /nfs/dbraw/zinc/86/55/36/551865536.db2.gz SBCFOVFFTXUEFA-JSGCOSHPSA-N 1 0 351.403 2.073 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286684130 551914400 /nfs/dbraw/zinc/91/44/00/551914400.db2.gz AHKCFGBOPLFZTF-WMLDXEAASA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364220 551994648 /nfs/dbraw/zinc/99/46/48/551994648.db2.gz WWOTWZRVNAOUAC-ZWNOBZJWSA-N 1 0 361.427 2.298 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[N@H+](CC)CC2)c([N+](=O)[O-])cc1OC ZINC000499868512 561560332 /nfs/dbraw/zinc/56/03/32/561560332.db2.gz XVLYAIJYOYQPBE-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000500155191 561566989 /nfs/dbraw/zinc/56/69/89/561566989.db2.gz JHMOEGSINZKQKH-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc(CNCc2ncc(C3OCCO3)s2)cc1[N+](=O)[O-] ZINC000289282943 552294905 /nfs/dbraw/zinc/29/49/05/552294905.db2.gz OUBSZYWSXYPFGJ-UHFFFAOYSA-N 1 0 351.384 2.395 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000289809601 552382278 /nfs/dbraw/zinc/38/22/78/552382278.db2.gz NUODOKNVZNAFSK-AWEZNQCLSA-N 1 0 363.462 2.305 20 5 FEBDRO COCCN(C)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289879306 552393272 /nfs/dbraw/zinc/39/32/72/552393272.db2.gz RXQMZURVDOIVSY-UHFFFAOYSA-N 1 0 359.430 2.038 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000289893953 552395474 /nfs/dbraw/zinc/39/54/74/552395474.db2.gz TYLFVOZDGFLLBY-STQMWFEESA-N 1 0 350.419 2.076 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000290328632 552461007 /nfs/dbraw/zinc/46/10/07/552461007.db2.gz CJNATZRIRJMOPO-KRWDZBQOSA-N 1 0 363.393 2.300 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000500808012 561583042 /nfs/dbraw/zinc/58/30/42/561583042.db2.gz LIIZSAYAVYERBK-LSDHHAIUSA-N 1 0 369.487 2.320 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000500808004 561583065 /nfs/dbraw/zinc/58/30/65/561583065.db2.gz LIIZSAYAVYERBK-CABCVRRESA-N 1 0 369.487 2.320 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500842890 561584117 /nfs/dbraw/zinc/58/41/17/561584117.db2.gz LYZASFASCSNTQT-RHSMWYFYSA-N 1 0 371.441 2.442 20 5 FEBDRO NC(=O)c1ccnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290442462 552479548 /nfs/dbraw/zinc/47/95/48/552479548.db2.gz CCZWQPOHJZUZIY-CQSZACIVSA-N 1 0 355.398 2.165 20 5 FEBDRO CC(=O)N[C@@H](C)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501030159 561588030 /nfs/dbraw/zinc/58/80/30/561588030.db2.gz AKKOFWHQTMYVLQ-ZDUSSCGKSA-N 1 0 362.430 2.160 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290923536 552562889 /nfs/dbraw/zinc/56/28/89/552562889.db2.gz IPAHOBASCPXLKS-GFCCVEGCSA-N 1 0 370.413 2.121 20 5 FEBDRO COC(=O)CCCN1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000291255060 552606868 /nfs/dbraw/zinc/60/68/68/552606868.db2.gz RSWPUNCQWKTHKZ-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000291358726 552618326 /nfs/dbraw/zinc/61/83/26/552618326.db2.gz SJIOJRBSVXRICI-UHFFFAOYSA-N 1 0 374.441 2.086 20 5 FEBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000291410577 552621630 /nfs/dbraw/zinc/62/16/30/552621630.db2.gz JCCVILRUNCIZFD-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000501369285 561596040 /nfs/dbraw/zinc/59/60/40/561596040.db2.gz YMHGEFFJCJULOY-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000292958983 552774980 /nfs/dbraw/zinc/77/49/80/552774980.db2.gz FNSZXMNGDOZCTD-QGZVFWFLSA-N 1 0 365.430 2.319 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293598523 552839115 /nfs/dbraw/zinc/83/91/15/552839115.db2.gz BPZGYAGSGCVDGR-GOSISDBHSA-N 1 0 356.382 2.016 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000293866438 552863851 /nfs/dbraw/zinc/86/38/51/552863851.db2.gz SIMZBTITPCSRFH-UHFFFAOYSA-N 1 0 369.487 2.323 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000293970321 552871927 /nfs/dbraw/zinc/87/19/27/552871927.db2.gz UOPQTYVKYIPJGL-IBGZPJMESA-N 1 0 358.442 2.363 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000294027487 552876543 /nfs/dbraw/zinc/87/65/43/552876543.db2.gz ZWTTWYYFRIPBKF-ZWKOTPCHSA-N 1 0 374.441 2.104 20 5 FEBDRO Cc1ccc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000294221308 552888952 /nfs/dbraw/zinc/88/89/52/552888952.db2.gz NALJIIHZAGPUEB-UHFFFAOYSA-N 1 0 351.451 2.250 20 5 FEBDRO COCCOC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000294743283 552931145 /nfs/dbraw/zinc/93/11/45/552931145.db2.gz HJKBTKDLEFAOMX-GQCTYLIASA-N 1 0 350.415 2.410 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000294908382 552943265 /nfs/dbraw/zinc/94/32/65/552943265.db2.gz SDUFAEHNIBBBEB-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CCC(O)CC3)cs2)c1 ZINC000294912894 552943534 /nfs/dbraw/zinc/94/35/34/552943534.db2.gz SMNJAMVFDHVJDH-UHFFFAOYSA-N 1 0 362.455 2.265 20 5 FEBDRO C[C@H](CO)[C@H](C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295789991 553059431 /nfs/dbraw/zinc/05/94/31/553059431.db2.gz RMGPEUFDEXGFOM-MNOVXSKESA-N 1 0 364.427 2.263 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc([N+](=O)[O-])c1 ZINC000295917586 553075736 /nfs/dbraw/zinc/07/57/36/553075736.db2.gz OMVXUKZYEFHXQG-AWEZNQCLSA-N 1 0 372.381 2.338 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CSc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000502714103 561623879 /nfs/dbraw/zinc/62/38/79/561623879.db2.gz ZXTRZECHFLAWRL-LSDHHAIUSA-N 1 0 365.455 2.009 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000296528444 553174532 /nfs/dbraw/zinc/17/45/32/553174532.db2.gz CTFOXVJSEJCERJ-ZDUSSCGKSA-N 1 0 363.414 2.047 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000502901071 561629354 /nfs/dbraw/zinc/62/93/54/561629354.db2.gz CFBYQJBNWHMFJQ-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccc(F)cc1 ZINC000297239522 553267989 /nfs/dbraw/zinc/26/79/89/553267989.db2.gz PPOJKBJTGRHYOT-CVEARBPZSA-N 1 0 373.384 2.456 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297535958 553305547 /nfs/dbraw/zinc/30/55/47/553305547.db2.gz INFMATBKDOZLJC-AWEZNQCLSA-N 1 0 364.446 2.190 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000297811422 553342010 /nfs/dbraw/zinc/34/20/10/553342010.db2.gz INXXSAQXVMUNKF-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000297939216 553360007 /nfs/dbraw/zinc/36/00/07/553360007.db2.gz RTPJDIKHWJTXLV-UHFFFAOYSA-N 1 0 362.430 2.142 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc([N+](=O)[O-])c1 ZINC000503262456 561638278 /nfs/dbraw/zinc/63/82/78/561638278.db2.gz HDBYYFHPBAGOLA-UHFFFAOYSA-N 1 0 361.398 2.153 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000298254621 553404299 /nfs/dbraw/zinc/40/42/99/553404299.db2.gz UQZHMPRKFLMDGX-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(Br)c1 ZINC000298395731 553420274 /nfs/dbraw/zinc/42/02/74/553420274.db2.gz OMHSRZDSHICFOE-CQSZACIVSA-N 1 0 369.219 2.219 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(Br)c1 ZINC000298395721 553420293 /nfs/dbraw/zinc/42/02/93/553420293.db2.gz OMHSRZDSHICFOE-AWEZNQCLSA-N 1 0 369.219 2.219 20 5 FEBDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000298548993 553439167 /nfs/dbraw/zinc/43/91/67/553439167.db2.gz YNMWFBQBEWLPHJ-DZGCQCFKSA-N 1 0 363.414 2.047 20 5 FEBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000298565503 553441554 /nfs/dbraw/zinc/44/15/54/553441554.db2.gz PUIZLMASNYAEHJ-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)OC ZINC000298567075 553441870 /nfs/dbraw/zinc/44/18/70/553441870.db2.gz PZCVDZCZFXNMLO-GFCCVEGCSA-N 1 0 367.402 2.206 20 5 FEBDRO Cc1noc([C@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000298787694 553473022 /nfs/dbraw/zinc/47/30/22/553473022.db2.gz PUNQKKVAPPQOKT-YPMHNXCESA-N 1 0 359.386 2.493 20 5 FEBDRO COc1ccc(CNC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298934791 553492024 /nfs/dbraw/zinc/49/20/24/553492024.db2.gz OAKIGACGCWDARH-UHFFFAOYSA-N 1 0 350.419 2.279 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000299192645 553528074 /nfs/dbraw/zinc/52/80/74/553528074.db2.gz DJOZJYVUAUKZRO-DOMZBBRYSA-N 1 0 351.403 2.167 20 5 FEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000504011556 561651942 /nfs/dbraw/zinc/65/19/42/561651942.db2.gz VQHAHKQLBPQQCM-UHFFFAOYSA-N 1 0 357.476 2.475 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000299425805 553561304 /nfs/dbraw/zinc/56/13/04/553561304.db2.gz ZIHAONFPDPAAIS-AWEZNQCLSA-N 1 0 361.402 2.036 20 5 FEBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000301617528 553666178 /nfs/dbraw/zinc/66/61/78/553666178.db2.gz KMVAKUYMXUDAIE-GXTWGEPZSA-N 1 0 355.398 2.164 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000301743495 553676287 /nfs/dbraw/zinc/67/62/87/553676287.db2.gz ZGCOPZXWSXLUPV-UHFFFAOYSA-N 1 0 369.425 2.280 20 5 FEBDRO COc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301845025 553685376 /nfs/dbraw/zinc/68/53/76/553685376.db2.gz LYIVLEVLASJJIA-FKEKPDDDSA-N 1 0 360.458 2.351 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301897640 553689861 /nfs/dbraw/zinc/68/98/61/553689861.db2.gz RKEILMZRJWHWHL-LLVKDONJSA-N 1 0 373.251 2.257 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009819 553697995 /nfs/dbraw/zinc/69/79/95/553697995.db2.gz VVGPJABDWCNNHL-ZFWWWQNUSA-N 1 0 367.413 2.355 20 5 FEBDRO C[C@H]1CCC[C@](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000302114462 553704993 /nfs/dbraw/zinc/70/49/93/553704993.db2.gz BYKGVRQAPFCTLC-LRDDRELGSA-N 1 0 370.475 2.165 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000302238765 553712975 /nfs/dbraw/zinc/71/29/75/553712975.db2.gz HEYREUYVFNQTQH-UHFFFAOYSA-N 1 0 352.464 2.132 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000302998386 553742813 /nfs/dbraw/zinc/74/28/13/553742813.db2.gz HHVASMDKMSHLLP-UHFFFAOYSA-N 1 0 358.402 2.180 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000507823516 561742223 /nfs/dbraw/zinc/74/22/23/561742223.db2.gz LMLCDPWAXPVZRB-UHFFFAOYSA-N 1 0 356.444 2.298 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429087 554120766 /nfs/dbraw/zinc/12/07/66/554120766.db2.gz ICPNKUJJGFFUKP-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330617296 554146461 /nfs/dbraw/zinc/14/64/61/554146461.db2.gz WWZIQKPRPVHBRN-QWHCGFSZSA-N 1 0 361.851 2.198 20 5 FEBDRO CS[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000330902699 554185583 /nfs/dbraw/zinc/18/55/83/554185583.db2.gz XVMYHMOMBTWPNC-VCTAVGKDSA-N 1 0 355.435 2.341 20 5 FEBDRO Cn1c2ccc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2oc1=O ZINC000508680510 561769484 /nfs/dbraw/zinc/76/94/84/561769484.db2.gz POXJUVUKSGWXCH-CYBMUJFWSA-N 1 0 369.381 2.121 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000331323771 554246809 /nfs/dbraw/zinc/24/68/09/554246809.db2.gz MPMLOSKBMIMAFF-PWSUYJOCSA-N 1 0 370.247 2.499 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1C ZINC000332089437 554378048 /nfs/dbraw/zinc/37/80/48/554378048.db2.gz UQQJZFJWONSMAO-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510521599 561837663 /nfs/dbraw/zinc/83/76/63/561837663.db2.gz IPDWYZNTNUPHBL-WFASDCNBSA-N 1 0 359.430 2.366 20 5 FEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000510541695 561838403 /nfs/dbraw/zinc/83/84/03/561838403.db2.gz TVCRGQUHQZHJBQ-KBXCAEBGSA-N 1 0 359.430 2.297 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510720092 561844447 /nfs/dbraw/zinc/84/44/47/561844447.db2.gz LZORSWNXCSFVMA-ZIAGYGMSSA-N 1 0 353.444 2.041 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000333524563 554621228 /nfs/dbraw/zinc/62/12/28/554621228.db2.gz HSUYOCBIIPLROK-MGPUTAFESA-N 1 0 361.445 2.365 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000511020420 561854117 /nfs/dbraw/zinc/85/41/17/561854117.db2.gz VIZKSYCJRLZNTK-UHOFOFEASA-N 1 0 360.414 2.055 20 5 FEBDRO Nc1ccc(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000359940309 554856424 /nfs/dbraw/zinc/85/64/24/554856424.db2.gz FBLAZNBQRLXIHQ-UHFFFAOYSA-N 1 0 369.425 2.009 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360524236 554878881 /nfs/dbraw/zinc/87/88/81/554878881.db2.gz WRHFYSCEXQIANA-ZFWWWQNUSA-N 1 0 368.821 2.311 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000361110195 554904761 /nfs/dbraw/zinc/90/47/61/554904761.db2.gz VOVHROHWXDRCTD-IAQYHMDHSA-N 1 0 352.822 2.213 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290415 554960930 /nfs/dbraw/zinc/96/09/30/554960930.db2.gz RODBERZZWFBKRK-SWLSCSKDSA-N 1 0 362.386 2.286 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCCN(Cc3noc(C)n3)C2)cc1[N+](=O)[O-] ZINC000362970633 555003931 /nfs/dbraw/zinc/00/39/31/555003931.db2.gz MJOZBZMXTSSMCB-AWEZNQCLSA-N 1 0 361.402 2.049 20 5 FEBDRO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263706 555067283 /nfs/dbraw/zinc/06/72/83/555067283.db2.gz AMKBXRQAQQJHTH-SRCQZFHVSA-N 1 0 369.425 2.094 20 5 FEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363348311 555082994 /nfs/dbraw/zinc/08/29/94/555082994.db2.gz FCEFONYSNUVQAO-INIZCTEOSA-N 1 0 371.441 2.304 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000363369891 555087617 /nfs/dbraw/zinc/08/76/17/555087617.db2.gz WFGQXYZAYJRRHF-UHFFFAOYSA-N 1 0 354.410 2.427 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424292 555102075 /nfs/dbraw/zinc/10/20/75/555102075.db2.gz QIXYMACANZTIAS-FHLIZLRMSA-N 1 0 361.442 2.143 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000363614632 555147909 /nfs/dbraw/zinc/14/79/09/555147909.db2.gz VJOJOIMOJLAFBV-ROUUACIJSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1cnn(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000363679187 555162645 /nfs/dbraw/zinc/16/26/45/555162645.db2.gz RZPULYVPAVVVHK-MRXNPFEDSA-N 1 0 360.414 2.177 20 5 FEBDRO COc1cccc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363700626 555167270 /nfs/dbraw/zinc/16/72/70/555167270.db2.gz KVIYJRVBBRCVAE-UHFFFAOYSA-N 1 0 362.474 2.457 20 5 FEBDRO O=C([C@@H]1CCCO1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363714614 555170226 /nfs/dbraw/zinc/17/02/26/555170226.db2.gz QVGZMJJROJTIDQ-INIZCTEOSA-N 1 0 367.833 2.462 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000364070276 555244294 /nfs/dbraw/zinc/24/42/94/555244294.db2.gz LORNHIYAIITNSU-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000364112409 555251710 /nfs/dbraw/zinc/25/17/10/555251710.db2.gz UINSHYOWKKWAHQ-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364181179 555264379 /nfs/dbraw/zinc/26/43/79/555264379.db2.gz KKQCKEAOEXIPHM-PBHICJAKSA-N 1 0 362.386 2.463 20 5 FEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364201003 555268304 /nfs/dbraw/zinc/26/83/04/555268304.db2.gz MFVQWNLQCBZUGP-AWEZNQCLSA-N 1 0 369.425 2.309 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)COCc3cccs3)CC2)n1 ZINC000365128544 555491599 /nfs/dbraw/zinc/49/15/99/555491599.db2.gz ZCHQZBKLJZXBML-AWEZNQCLSA-N 1 0 366.443 2.067 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000365149890 555495745 /nfs/dbraw/zinc/49/57/45/555495745.db2.gz HWIQPWLFGVHOEU-HXUWFJFHSA-N 1 0 369.421 2.263 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2cnccn2)CC1 ZINC000365150068 555496089 /nfs/dbraw/zinc/49/60/89/555496089.db2.gz ISTBZQKTYGQALW-OAHLLOKOSA-N 1 0 358.398 2.004 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)c1 ZINC000365170580 555500958 /nfs/dbraw/zinc/50/09/58/555500958.db2.gz LJESDQBNDKFSAY-HNNXBMFYSA-N 1 0 350.419 2.362 20 5 FEBDRO NC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000365227223 555516046 /nfs/dbraw/zinc/51/60/46/555516046.db2.gz YMVZTWWKIYNEAB-CRAIPNDOSA-N 1 0 355.394 2.079 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540002 555603194 /nfs/dbraw/zinc/60/31/94/555603194.db2.gz QIYLJPRKCHPRIH-JLSDUUJJSA-N 1 0 361.442 2.143 20 5 FEBDRO O=C(CCN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000365890586 555693631 /nfs/dbraw/zinc/69/36/31/555693631.db2.gz JLNVQENEAJAQBT-CQSZACIVSA-N 1 0 364.471 2.047 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000366189283 555776144 /nfs/dbraw/zinc/77/61/44/555776144.db2.gz RCMPRXWHSXRPOH-GFCCVEGCSA-N 1 0 350.394 2.110 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000366415398 555837096 /nfs/dbraw/zinc/83/70/96/555837096.db2.gz SIEFEJNJARGHGI-UCLAIMLFSA-N 1 0 372.469 2.242 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000366456546 555849652 /nfs/dbraw/zinc/84/96/52/555849652.db2.gz AFQVIWCXZWFEDQ-XJKSGUPXSA-N 1 0 353.444 2.056 20 5 FEBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367293283 556010131 /nfs/dbraw/zinc/01/01/31/556010131.db2.gz YPRHQCRBCGMWMS-INIZCTEOSA-N 1 0 350.438 2.334 20 5 FEBDRO Cc1c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332858 556020334 /nfs/dbraw/zinc/02/03/34/556020334.db2.gz JUVSWTURYIUUMT-QAPCUYQASA-N 1 0 360.414 2.214 20 5 FEBDRO O=C1CC[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C2CC2)N1 ZINC000367450689 556052795 /nfs/dbraw/zinc/05/27/95/556052795.db2.gz PAZKWAFKNUMQDJ-WBVHZDCISA-N 1 0 356.382 2.397 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367474731 556060469 /nfs/dbraw/zinc/06/04/69/556060469.db2.gz NPTOSQCGWXRMAB-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000367567774 556084861 /nfs/dbraw/zinc/08/48/61/556084861.db2.gz ZGQYUVXKHGJOJS-INIZCTEOSA-N 1 0 371.441 2.455 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000367594812 556092578 /nfs/dbraw/zinc/09/25/78/556092578.db2.gz SZTAHRHKYIZYCY-RDJZCZTQSA-N 1 0 370.409 2.061 20 5 FEBDRO CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000368407334 556299010 /nfs/dbraw/zinc/29/90/10/556299010.db2.gz NGWSRLLVDRWETO-NVXWUHKLSA-N 1 0 363.462 2.465 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000368430109 556306315 /nfs/dbraw/zinc/30/63/15/556306315.db2.gz SYUGLTWXYGFIRC-SWLSCSKDSA-N 1 0 351.378 2.103 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000368578308 556351260 /nfs/dbraw/zinc/35/12/60/556351260.db2.gz LXFQOJIPBSOXEQ-LLVKDONJSA-N 1 0 365.415 2.130 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000368967024 556461520 /nfs/dbraw/zinc/46/15/20/556461520.db2.gz UFONDWKTESNPCT-LBPRGKRZSA-N 1 0 372.263 2.246 20 5 FEBDRO Cc1c(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000369068924 556496251 /nfs/dbraw/zinc/49/62/51/556496251.db2.gz YBYNKPCECZNJJB-UHFFFAOYSA-N 1 0 374.485 2.422 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000369353774 556577681 /nfs/dbraw/zinc/57/76/81/556577681.db2.gz IYSCDLXUBUUEPP-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369591363 556640948 /nfs/dbraw/zinc/64/09/48/556640948.db2.gz LGYHHCTVWAPPSO-CSMYWGQOSA-N 1 0 363.414 2.287 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516323315 562039835 /nfs/dbraw/zinc/03/98/35/562039835.db2.gz WSJDIUXYTRJSBE-LLVKDONJSA-N 1 0 358.826 2.463 20 5 FEBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cn1 ZINC000370008429 556756451 /nfs/dbraw/zinc/75/64/51/556756451.db2.gz LNDZPJGKGSLJDV-CYBMUJFWSA-N 1 0 358.398 2.259 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000370039111 556763953 /nfs/dbraw/zinc/76/39/53/556763953.db2.gz VUOFWBLEYHTMFI-SFHVURJKSA-N 1 0 362.474 2.205 20 5 FEBDRO CC1=C[C@H](C)C[C@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516369 562045559 /nfs/dbraw/zinc/04/55/59/562045559.db2.gz QGQYINRINJNEDT-ZFWWWQNUSA-N 1 0 367.471 2.455 20 5 FEBDRO O=C(CCN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370412357 556866034 /nfs/dbraw/zinc/86/60/34/556866034.db2.gz AKKSGENVPJZOBP-INIZCTEOSA-N 1 0 364.471 2.047 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1 ZINC000370416467 556866502 /nfs/dbraw/zinc/86/65/02/556866502.db2.gz YOIISSYCIHDHML-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000370826899 556981306 /nfs/dbraw/zinc/98/13/06/556981306.db2.gz OMBGMCXPEZMLNV-IVMMDQJWSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000370915900 557014287 /nfs/dbraw/zinc/01/42/87/557014287.db2.gz DYMAQALNMXFMBG-RDTXWAMCSA-N 1 0 371.441 2.450 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370924321 557017943 /nfs/dbraw/zinc/01/79/43/557017943.db2.gz RMOQEVBCKPICLQ-WMLDXEAASA-N 1 0 357.414 2.141 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927437 557019308 /nfs/dbraw/zinc/01/93/08/557019308.db2.gz IHZULUYRBLUJQJ-MAUKXSAKSA-N 1 0 371.441 2.450 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371233707 557114375 /nfs/dbraw/zinc/11/43/75/557114375.db2.gz ZZAQUKCBPYAAJH-WMLDXEAASA-N 1 0 369.425 2.385 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233245 557114404 /nfs/dbraw/zinc/11/44/04/557114404.db2.gz XKRSIZZAADFRPM-ZIAGYGMSSA-N 1 0 363.414 2.290 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371239179 557116799 /nfs/dbraw/zinc/11/67/99/557116799.db2.gz YYHMMZDWZRTUPT-RHSMWYFYSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1nn(CCC(=O)N2CCCc3cc(C[NH3+])ccc32)c(C)c1[N+](=O)[O-] ZINC000371288001 557132951 /nfs/dbraw/zinc/13/29/51/557132951.db2.gz ADWUPQHMCSHZRW-UHFFFAOYSA-N 1 0 357.414 2.236 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000371342238 557153116 /nfs/dbraw/zinc/15/31/16/557153116.db2.gz WGPMEKSVSZLDLU-UHFFFAOYSA-N 1 0 360.458 2.225 20 5 FEBDRO COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349438 557155775 /nfs/dbraw/zinc/15/57/75/557155775.db2.gz ISQZTNMGDGNGIC-HIFRSBDPSA-N 1 0 366.437 2.205 20 5 FEBDRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349437 557155845 /nfs/dbraw/zinc/15/58/45/557155845.db2.gz ISQZTNMGDGNGIC-DZGCQCFKSA-N 1 0 366.437 2.205 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000371435438 557186672 /nfs/dbraw/zinc/18/66/72/557186672.db2.gz DVYWHANYQOIHCM-UHFFFAOYSA-N 1 0 373.413 2.188 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000371546758 557217240 /nfs/dbraw/zinc/21/72/40/557217240.db2.gz OCOFFPDQKZKLOO-KBXCAEBGSA-N 1 0 358.442 2.361 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000518104196 562104547 /nfs/dbraw/zinc/10/45/47/562104547.db2.gz YSBHQLVZAYIGCI-ZIAGYGMSSA-N 1 0 362.430 2.221 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371692400 557264932 /nfs/dbraw/zinc/26/49/32/557264932.db2.gz IZSJZEULPMYQLX-IRXDYDNUSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1c([C@@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000372318178 557438164 /nfs/dbraw/zinc/43/81/64/557438164.db2.gz FXUUUVVBMHNDCY-SFHVURJKSA-N 1 0 369.425 2.363 20 5 FEBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000372398365 557460948 /nfs/dbraw/zinc/46/09/48/557460948.db2.gz NAGJMPYHDRJWSB-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO NC(=O)C1([NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000372399605 557460965 /nfs/dbraw/zinc/46/09/65/557460965.db2.gz PQALOLHXPUAICR-SOFGYWHQSA-N 1 0 372.469 2.414 20 5 FEBDRO COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000372400347 557461496 /nfs/dbraw/zinc/46/14/96/557461496.db2.gz DDPACEVNVNYGKT-YJBOKZPZSA-N 1 0 370.409 2.421 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372423168 557466636 /nfs/dbraw/zinc/46/66/36/557466636.db2.gz VXVNGHJRSUFHLP-KXBFYZLASA-N 1 0 370.409 2.178 20 5 FEBDRO CC(=O)c1ccc(N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607768 557519368 /nfs/dbraw/zinc/51/93/68/557519368.db2.gz VZINXZOJSFMUNX-QGZVFWFLSA-N 1 0 360.458 2.402 20 5 FEBDRO Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519545744 562134348 /nfs/dbraw/zinc/13/43/48/562134348.db2.gz YJSSICCABTUWHA-HNNXBMFYSA-N 1 0 373.438 2.374 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000372941131 557593089 /nfs/dbraw/zinc/59/30/89/557593089.db2.gz VRLMRYXWDZHQNM-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777576 562143696 /nfs/dbraw/zinc/14/36/96/562143696.db2.gz VWENNSURUXWWBR-YPMHNXCESA-N 1 0 371.384 2.289 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373234513 557655145 /nfs/dbraw/zinc/65/51/45/557655145.db2.gz WHFBGVRNZFBVEM-AWEZNQCLSA-N 1 0 372.429 2.241 20 5 FEBDRO CNc1nc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520245226 562151697 /nfs/dbraw/zinc/15/16/97/562151697.db2.gz ADNQXKLGXARLKY-LJQANCHMSA-N 1 0 369.425 2.426 20 5 FEBDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582811 557722690 /nfs/dbraw/zinc/72/26/90/557722690.db2.gz IAILUYXCMQWSKS-WBVHZDCISA-N 1 0 360.414 2.177 20 5 FEBDRO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396979 562155327 /nfs/dbraw/zinc/15/53/27/562155327.db2.gz XJFKHGMTXKNTSR-DOTOQJQBSA-N 1 0 365.474 2.435 20 5 FEBDRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000373668634 557734868 /nfs/dbraw/zinc/73/48/68/557734868.db2.gz VCIHBCYZLMKKKZ-AWEZNQCLSA-N 1 0 357.414 2.399 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374266794 557855083 /nfs/dbraw/zinc/85/50/83/557855083.db2.gz ZSBUENJYBOANIG-IBGZPJMESA-N 1 0 371.441 2.279 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000521032275 562167955 /nfs/dbraw/zinc/16/79/55/562167955.db2.gz BQVDGNXBNFYARE-LZLYRXPVSA-N 1 0 363.414 2.240 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585476 557902505 /nfs/dbraw/zinc/90/25/05/557902505.db2.gz NIVSWUABFHNYPH-IRXDYDNUSA-N 1 0 369.425 2.238 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000374608951 557906313 /nfs/dbraw/zinc/90/63/13/557906313.db2.gz CXVFDCYMVWBEMM-IACUBPJLSA-N 1 0 362.386 2.319 20 5 FEBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000374644223 557911323 /nfs/dbraw/zinc/91/13/23/557911323.db2.gz GSUIDJBXPWDUMQ-RDTXWAMCSA-N 1 0 362.382 2.236 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000521426439 562176097 /nfs/dbraw/zinc/17/60/97/562176097.db2.gz AMCSHVJWCMXFTB-MRXNPFEDSA-N 1 0 358.394 2.102 20 5 FEBDRO CCC(=O)c1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000375654476 558063030 /nfs/dbraw/zinc/06/30/30/558063030.db2.gz JDANQSZDLANOSG-INIZCTEOSA-N 1 0 360.458 2.404 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375696267 558069126 /nfs/dbraw/zinc/06/91/26/558069126.db2.gz FUKKTBXNFBJVHK-UHFFFAOYSA-N 1 0 365.434 2.267 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000377168191 558280925 /nfs/dbraw/zinc/28/09/25/558280925.db2.gz JTJCGVYESSRDBF-XKQJLSEDSA-N 1 0 374.441 2.350 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c(C)cc1[N+](=O)[O-] ZINC000522014444 562189252 /nfs/dbraw/zinc/18/92/52/562189252.db2.gz NAQYXTKQIIRKAF-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760041 558413825 /nfs/dbraw/zinc/41/38/25/558413825.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 1 0 355.442 2.245 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377998208 558460150 /nfs/dbraw/zinc/46/01/50/558460150.db2.gz HFJWEFUVTIMBFV-LBPRGKRZSA-N 1 0 373.862 2.258 20 5 FEBDRO C[N@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000523253434 562210053 /nfs/dbraw/zinc/21/00/53/562210053.db2.gz HPMIMGXAOVKVBS-UHFFFAOYSA-N 1 0 351.451 2.297 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000523757287 562219239 /nfs/dbraw/zinc/21/92/39/562219239.db2.gz BMMWXUPQGKQRQC-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000405348026 558632560 /nfs/dbraw/zinc/63/25/60/558632560.db2.gz MBSULRSXAVRNQS-GXFFZTMASA-N 1 0 361.851 2.386 20 5 FEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182445 558654552 /nfs/dbraw/zinc/65/45/52/558654552.db2.gz KRVWHBQBBWHGCU-YOEHRIQHSA-N 1 0 358.442 2.043 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524869521 562236553 /nfs/dbraw/zinc/23/65/53/562236553.db2.gz LUQSIUPAOHSXPM-QWHCGFSZSA-N 1 0 371.459 2.097 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525086303 562240230 /nfs/dbraw/zinc/24/02/30/562240230.db2.gz HWPKIFOUCWTLOG-OKILXGFUSA-N 1 0 370.475 2.026 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000411129499 558842044 /nfs/dbraw/zinc/84/20/44/558842044.db2.gz GOIVWQCFDXXZOJ-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000411423195 558892353 /nfs/dbraw/zinc/89/23/53/558892353.db2.gz OFHKYEIEEHHQNF-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411681208 558942987 /nfs/dbraw/zinc/94/29/87/558942987.db2.gz OGNBJDULIRXQDO-MRXNPFEDSA-N 1 0 370.409 2.390 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000411721313 558950289 /nfs/dbraw/zinc/95/02/89/558950289.db2.gz OJTOTXIGEOGSDL-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791339 558963782 /nfs/dbraw/zinc/96/37/82/558963782.db2.gz KVCVJPPMOJSBPG-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO CO[C@@](C)([C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945217 558993150 /nfs/dbraw/zinc/99/31/50/558993150.db2.gz KJZYBNOBLGFRDK-BTDLBPIBSA-N 1 0 365.386 2.055 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412046181 559005703 /nfs/dbraw/zinc/00/57/03/559005703.db2.gz ZEGBJNIRMOFBOT-ZWKOTPCHSA-N 1 0 373.453 2.460 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000412121380 559015497 /nfs/dbraw/zinc/01/54/97/559015497.db2.gz FIOKNKOXXLNAJU-RYUDHWBXSA-N 1 0 353.394 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000412175328 559018484 /nfs/dbraw/zinc/01/84/84/559018484.db2.gz YWRBNSIZBKRYDJ-VXGBXAGGSA-N 1 0 353.394 2.274 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178819 559018585 /nfs/dbraw/zinc/01/85/85/559018585.db2.gz UBMUUUOSTWIBDG-ZYSHUDEJSA-N 1 0 374.485 2.088 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413123060 559080583 /nfs/dbraw/zinc/08/05/83/559080583.db2.gz LTKGQEQHFPCPLZ-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413397014 559104835 /nfs/dbraw/zinc/10/48/35/559104835.db2.gz DXUFPZPVOMHJLH-UHFFFAOYSA-N 1 0 372.425 2.436 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413449335 559108669 /nfs/dbraw/zinc/10/86/69/559108669.db2.gz XIRIBFIIILSGBI-RBUKOAKNSA-N 1 0 374.485 2.232 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2cc([N+](=O)[O-])ccc21 ZINC000414344154 559157583 /nfs/dbraw/zinc/15/75/83/559157583.db2.gz CEWZYEDTPDDQHN-OAHLLOKOSA-N 1 0 372.429 2.078 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000414732189 559182970 /nfs/dbraw/zinc/18/29/70/559182970.db2.gz IDAOEQMPBJUSNF-GFCCVEGCSA-N 1 0 368.393 2.056 20 5 FEBDRO COc1cc(CNC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414881837 559192731 /nfs/dbraw/zinc/19/27/31/559192731.db2.gz AXOQMPRNWDGHFO-NSHDSACASA-N 1 0 363.336 2.371 20 5 FEBDRO Cc1cc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000415419318 559233680 /nfs/dbraw/zinc/23/36/80/559233680.db2.gz QCMMSPUWHDISEK-UHFFFAOYSA-N 1 0 361.446 2.241 20 5 FEBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415431014 559235862 /nfs/dbraw/zinc/23/58/62/559235862.db2.gz RVMXHXRBUSSQHF-CYBMUJFWSA-N 1 0 364.446 2.320 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595713 559253838 /nfs/dbraw/zinc/25/38/38/559253838.db2.gz HQCSKPJWGYBYGM-RISCZKNCSA-N 1 0 364.402 2.423 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606327 559254723 /nfs/dbraw/zinc/25/47/23/559254723.db2.gz YOGKRTPXJXXVHZ-GXFFZTMASA-N 1 0 364.402 2.138 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415669390 559260194 /nfs/dbraw/zinc/26/01/94/559260194.db2.gz BRIPEKXVHOMZMU-AWEZNQCLSA-N 1 0 362.430 2.045 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000415755807 559268043 /nfs/dbraw/zinc/26/80/43/559268043.db2.gz GSSCLYDNDUDBFD-UHFFFAOYSA-N 1 0 364.446 2.465 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416452966 559314078 /nfs/dbraw/zinc/31/40/78/559314078.db2.gz QBAJYUJYCFUTCP-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416508357 559318623 /nfs/dbraw/zinc/31/86/23/559318623.db2.gz RCFNKLGQILGMMF-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000416664228 559328603 /nfs/dbraw/zinc/32/86/03/559328603.db2.gz SDIOXERCYSJONO-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000417199377 559352575 /nfs/dbraw/zinc/35/25/75/559352575.db2.gz XXWMAHRTJQQRGS-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418097000 559390007 /nfs/dbraw/zinc/39/00/07/559390007.db2.gz YBBUYJLXXVYCBG-NOZJJQNGSA-N 1 0 360.336 2.411 20 5 FEBDRO COc1cc(OCC(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000419913215 559464236 /nfs/dbraw/zinc/46/42/36/559464236.db2.gz YOUOJCPQFNDLOI-UHFFFAOYSA-N 1 0 365.430 2.411 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420274354 559478301 /nfs/dbraw/zinc/47/83/01/559478301.db2.gz OJINFSFDIQBKQF-WFASDCNBSA-N 1 0 350.419 2.134 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420288291 559478847 /nfs/dbraw/zinc/47/88/47/559478847.db2.gz RYVFZAQCAGJQJH-JSGCOSHPSA-N 1 0 357.414 2.489 20 5 FEBDRO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420298944 559479309 /nfs/dbraw/zinc/47/93/09/559479309.db2.gz AHZIBNCNOQPJQJ-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420391064 559484984 /nfs/dbraw/zinc/48/49/84/559484984.db2.gz NVNIGDCALSZIIX-VBNZEHGJSA-N 1 0 372.400 2.488 20 5 FEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420447011 559487774 /nfs/dbraw/zinc/48/77/74/559487774.db2.gz IOXKLYKEPYATLU-NSHDSACASA-N 1 0 369.365 2.265 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000421112525 559524611 /nfs/dbraw/zinc/52/46/11/559524611.db2.gz SZNKYNFKBJILQF-CYBMUJFWSA-N 1 0 364.402 2.248 20 5 FEBDRO CCCN1C[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355331 559540082 /nfs/dbraw/zinc/54/00/82/559540082.db2.gz UGSOWHDRXDHLCD-KGLIPLIRSA-N 1 0 362.430 2.160 20 5 FEBDRO COC1([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421406135 559541561 /nfs/dbraw/zinc/54/15/61/559541561.db2.gz SQDFEYFTFJCZPK-KGLIPLIRSA-N 1 0 365.430 2.486 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421701461 559549875 /nfs/dbraw/zinc/54/98/75/559549875.db2.gz HREVYWDWOHBTHV-CQSZACIVSA-N 1 0 367.471 2.389 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422781743 559606470 /nfs/dbraw/zinc/60/64/70/559606470.db2.gz JBTAILFUUHWGEW-NSHDSACASA-N 1 0 357.360 2.441 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423851329 559642764 /nfs/dbraw/zinc/64/27/64/559642764.db2.gz RRQPCZSMXAFTAM-NSHDSACASA-N 1 0 363.805 2.368 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000423985859 559649031 /nfs/dbraw/zinc/64/90/31/559649031.db2.gz XLTOIVCRLQMADM-LSDHHAIUSA-N 1 0 371.393 2.097 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000424012580 559651064 /nfs/dbraw/zinc/65/10/64/559651064.db2.gz JTZWAQDZTLZRAD-GXTWGEPZSA-N 1 0 357.414 2.052 20 5 FEBDRO CN(CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000424014889 559651105 /nfs/dbraw/zinc/65/11/05/559651105.db2.gz WOGFREJVNRMJMF-JKSUJKDBSA-N 1 0 372.400 2.123 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000424020017 559651430 /nfs/dbraw/zinc/65/14/30/559651430.db2.gz SDQJGUKHVLZAAO-NXEZZACHSA-N 1 0 373.356 2.262 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000424081134 559654154 /nfs/dbraw/zinc/65/41/54/559654154.db2.gz WHVNPWWDFYYEMJ-MCIONIFRSA-N 1 0 357.414 2.226 20 5 FEBDRO C[C@@H]1CC2(CN1C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000424237120 559658951 /nfs/dbraw/zinc/65/89/51/559658951.db2.gz MDFMVMRZBJJONG-CQSZACIVSA-N 1 0 369.425 2.385 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000425066852 559686233 /nfs/dbraw/zinc/68/62/33/559686233.db2.gz PZMDIMAUCTWIJU-GXFFZTMASA-N 1 0 355.341 2.362 20 5 FEBDRO COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000425948747 559725825 /nfs/dbraw/zinc/72/58/25/559725825.db2.gz BUMZLLZZJMAOKO-AWEZNQCLSA-N 1 0 365.430 2.345 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000427111092 559748053 /nfs/dbraw/zinc/74/80/53/559748053.db2.gz PBXFNOJASHIIQW-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000427130380 559748577 /nfs/dbraw/zinc/74/85/77/559748577.db2.gz HWUUMIJHIFZVKS-CMPLNLGQSA-N 1 0 357.357 2.389 20 5 FEBDRO O=C(C[C@@H]1CC[NH2+]C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000427375957 559754314 /nfs/dbraw/zinc/75/43/14/559754314.db2.gz KAIYPOFGYSYAQI-JTQLQIEISA-N 1 0 360.336 2.141 20 5 FEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000429195668 559792866 /nfs/dbraw/zinc/79/28/66/559792866.db2.gz XHBCAPQDIZXPRQ-ZANVPECISA-N 1 0 356.220 2.096 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429314255 559795598 /nfs/dbraw/zinc/79/55/98/559795598.db2.gz YOZDEEBOTBLQIZ-CYBMUJFWSA-N 1 0 371.393 2.395 20 5 FEBDRO Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n(C2CC[NH+](C)CC2)n1 ZINC000430428891 559819990 /nfs/dbraw/zinc/81/99/90/559819990.db2.gz HUIQUDCCTLFNJW-UHFFFAOYSA-N 1 0 373.413 2.384 20 5 FEBDRO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[NH2+]C1 ZINC000430931739 559830767 /nfs/dbraw/zinc/83/07/67/559830767.db2.gz CKQOXQCTTKWYDJ-AWEZNQCLSA-N 1 0 350.419 2.006 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000432459394 559859220 /nfs/dbraw/zinc/85/92/20/559859220.db2.gz JOHFIJLCQZKUSC-CYBMUJFWSA-N 1 0 370.409 2.122 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000432462394 559859330 /nfs/dbraw/zinc/85/93/30/559859330.db2.gz SKDPPKOHBKUPRN-ZBFHGGJFSA-N 1 0 370.409 2.265 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000433302539 559876464 /nfs/dbraw/zinc/87/64/64/559876464.db2.gz XVMIJUKOQNQPHY-CZUORRHYSA-N 1 0 367.471 2.331 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434752969 559908484 /nfs/dbraw/zinc/90/84/84/559908484.db2.gz ANMXOQZXSOICDQ-QGZVFWFLSA-N 1 0 367.471 2.074 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435612993 559926234 /nfs/dbraw/zinc/92/62/34/559926234.db2.gz ABOHNBSCAOGYBL-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000436717755 559949734 /nfs/dbraw/zinc/94/97/34/559949734.db2.gz CVOFTGJVDXQYJU-HNNXBMFYSA-N 1 0 357.414 2.009 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000439479331 559995094 /nfs/dbraw/zinc/99/50/94/559995094.db2.gz TUECCOFLDIZTTK-SFHVURJKSA-N 1 0 366.414 2.395 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000440076011 560004321 /nfs/dbraw/zinc/00/43/21/560004321.db2.gz IXJYMCKQOQNJJS-OLZOCXBDSA-N 1 0 355.460 2.302 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000440508885 560012960 /nfs/dbraw/zinc/01/29/60/560012960.db2.gz UQZBGNCRRFLYFG-KRWDZBQOSA-N 1 0 361.423 2.023 20 5 FEBDRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201014 560026067 /nfs/dbraw/zinc/02/60/67/560026067.db2.gz DCJXMMFMINYOHJ-HDMKZQKVSA-N 1 0 359.426 2.449 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000443712545 560090842 /nfs/dbraw/zinc/09/08/42/560090842.db2.gz WNYAADWRRLHNCC-UONOGXRCSA-N 1 0 355.460 2.277 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCCO)cc2)n1 ZINC000447572701 560164679 /nfs/dbraw/zinc/16/46/79/560164679.db2.gz DCWOEIJGFHUEJL-IRXDYDNUSA-N 1 0 360.414 2.436 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cn3c(n2)SCC3)n1 ZINC000447595904 560164959 /nfs/dbraw/zinc/16/49/59/560164959.db2.gz BBKAVWKCHBUQEW-KBPBESRZSA-N 1 0 362.459 2.410 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+](C)C ZINC000448973293 560209831 /nfs/dbraw/zinc/20/98/31/560209831.db2.gz ZWEYMIZYSXCINH-OAHLLOKOSA-N 1 0 359.430 2.487 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000449070146 560214748 /nfs/dbraw/zinc/21/47/48/560214748.db2.gz BDNFXWGNGDXOPJ-WFASDCNBSA-N 1 0 363.414 2.234 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234729 560221350 /nfs/dbraw/zinc/22/13/50/560221350.db2.gz QXZAHHNDBWUHAC-ZBFHGGJFSA-N 1 0 371.441 2.040 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449443736 560230360 /nfs/dbraw/zinc/23/03/60/560230360.db2.gz VJGWYQGZEHAGCC-FVQBIDKESA-N 1 0 369.487 2.223 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449443735 560230511 /nfs/dbraw/zinc/23/05/11/560230511.db2.gz VJGWYQGZEHAGCC-BMFZPTHFSA-N 1 0 369.487 2.223 20 5 FEBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)O ZINC000449533677 560233092 /nfs/dbraw/zinc/23/30/92/560233092.db2.gz BMRVDOBYBPWWFU-PRHODGIISA-N 1 0 364.183 2.448 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(F)F ZINC000449632552 560235151 /nfs/dbraw/zinc/23/51/51/560235151.db2.gz XRKHNAFCWUIFEH-JTQLQIEISA-N 1 0 356.354 2.431 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)F ZINC000449631512 560235163 /nfs/dbraw/zinc/23/51/63/560235163.db2.gz WNHKPRZYIRVACH-QMMMGPOBSA-N 1 0 352.135 2.070 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000449716704 560237973 /nfs/dbraw/zinc/23/79/73/560237973.db2.gz HAAVJAAVAVFWBQ-GFCCVEGCSA-N 1 0 365.308 2.012 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@H]21 ZINC000450146949 560252190 /nfs/dbraw/zinc/25/21/90/560252190.db2.gz MJONSJUMEMHXSJ-JKSUJKDBSA-N 1 0 369.425 2.337 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450294557 560257370 /nfs/dbraw/zinc/25/73/70/560257370.db2.gz OYJPYFIHVSNECB-GJZGRUSLSA-N 1 0 372.473 2.466 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000450701338 560270839 /nfs/dbraw/zinc/27/08/39/560270839.db2.gz VZEANMHTGGSJNX-GUYCJALGSA-N 1 0 355.398 2.151 20 5 FEBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000450887063 560276820 /nfs/dbraw/zinc/27/68/20/560276820.db2.gz XYWXDUNDQOMYAE-UHFFFAOYSA-N 1 0 363.462 2.426 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451339745 560301184 /nfs/dbraw/zinc/30/11/84/560301184.db2.gz JSNXOHOXROWSQA-QXCFHYIPSA-N 1 0 364.442 2.350 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451469169 560309013 /nfs/dbraw/zinc/30/90/13/560309013.db2.gz CWRPOGZFFGAQMC-HYVNUMGLSA-N 1 0 350.415 2.272 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000451487017 560310019 /nfs/dbraw/zinc/31/00/19/560310019.db2.gz KSOAMSGRCTZZOT-PBHICJAKSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563099 560314962 /nfs/dbraw/zinc/31/49/62/560314962.db2.gz JORYWBQPOJIWHQ-BFQNTYOBSA-N 1 0 351.403 2.287 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000452105275 560351430 /nfs/dbraw/zinc/35/14/30/560351430.db2.gz NOZCPTVNSNOQKA-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452124180 560352897 /nfs/dbraw/zinc/35/28/97/560352897.db2.gz WAOSIAVAWWGHBS-OAHLLOKOSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000452341841 560358662 /nfs/dbraw/zinc/35/86/62/560358662.db2.gz FVNYNUXHPRXYLN-INIZCTEOSA-N 1 0 365.478 2.425 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nc(-c3ccccn3)n[nH]2)n1 ZINC000453346394 560385561 /nfs/dbraw/zinc/38/55/61/560385561.db2.gz IAWZNEWWDNUORB-OCCSQVGLSA-N 1 0 368.401 2.245 20 5 FEBDRO Cc1cnc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000453601061 560390522 /nfs/dbraw/zinc/39/05/22/560390522.db2.gz TZYBFICQNMDYOH-UHFFFAOYSA-N 1 0 352.398 2.426 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454391189 560442668 /nfs/dbraw/zinc/44/26/68/560442668.db2.gz UVCFKGFBOJPERU-CQSZACIVSA-N 1 0 355.398 2.036 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456013781 560504537 /nfs/dbraw/zinc/50/45/37/560504537.db2.gz VWIWIXVGDKODJK-QWHCGFSZSA-N 1 0 361.446 2.414 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456360500 560517199 /nfs/dbraw/zinc/51/71/99/560517199.db2.gz VJGDWZUURKNLAG-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000456891298 560535904 /nfs/dbraw/zinc/53/59/04/560535904.db2.gz FBQQRBSJOPLPED-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457084634 560547820 /nfs/dbraw/zinc/54/78/20/560547820.db2.gz ZCZJTGLOZZFCMD-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457089148 560548236 /nfs/dbraw/zinc/54/82/36/560548236.db2.gz KVENIADUYPJCBP-CQSZACIVSA-N 1 0 372.425 2.463 20 5 FEBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000457770040 560586637 /nfs/dbraw/zinc/58/66/37/560586637.db2.gz UPIHXLASSPJDMC-UHFFFAOYSA-N 1 0 361.446 2.219 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458685283 560640609 /nfs/dbraw/zinc/64/06/09/560640609.db2.gz FKBCHQGELBBLIL-MRXNPFEDSA-N 1 0 364.446 2.062 20 5 FEBDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000461611455 560776607 /nfs/dbraw/zinc/77/66/07/560776607.db2.gz SOZYMYJJYRCJLF-ZDUSSCGKSA-N 1 0 355.460 2.448 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000463741562 560822709 /nfs/dbraw/zinc/82/27/09/560822709.db2.gz LWBHUQIDBXKLOL-MGPQQGTHSA-N 1 0 355.460 2.287 20 5 FEBDRO COCCCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000464729443 560849272 /nfs/dbraw/zinc/84/92/72/560849272.db2.gz PTQJEVQOPOZMFH-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819982 560896564 /nfs/dbraw/zinc/89/65/64/560896564.db2.gz VGXSBAAZCQKKKE-LRDDRELGSA-N 1 0 369.425 2.454 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819981 560896580 /nfs/dbraw/zinc/89/65/80/560896580.db2.gz VGXSBAAZCQKKKE-BLLLJJGKSA-N 1 0 369.425 2.454 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])Cc1ccccc1 ZINC000466992935 560901045 /nfs/dbraw/zinc/90/10/45/560901045.db2.gz SWVXAIMJWUDMFE-UHFFFAOYSA-N 1 0 372.425 2.393 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000467134511 560904446 /nfs/dbraw/zinc/90/44/46/560904446.db2.gz XJZSQEOYGGYPIS-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000468899892 560941828 /nfs/dbraw/zinc/94/18/28/560941828.db2.gz HQDKFMUGHKLWHV-FVQBIDKESA-N 1 0 369.487 2.366 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170171 560975999 /nfs/dbraw/zinc/97/59/99/560975999.db2.gz POZJDUDZPHCHKL-LGMDPLHJSA-N 1 0 374.485 2.484 20 5 FEBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000471132178 560998823 /nfs/dbraw/zinc/99/88/23/560998823.db2.gz VEGNSBOXSDPAAP-CZUORRHYSA-N 1 0 359.430 2.334 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000471549163 561006947 /nfs/dbraw/zinc/00/69/47/561006947.db2.gz VEWYZUTYYBIQSS-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000471575501 561007531 /nfs/dbraw/zinc/00/75/31/561007531.db2.gz XUTBGEJSNUMPAC-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO CC(C)(CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000472570784 561029489 /nfs/dbraw/zinc/02/94/89/561029489.db2.gz WYEQWYSTAUZOPK-UHFFFAOYSA-N 1 0 366.393 2.053 20 5 FEBDRO CNC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636578 561031658 /nfs/dbraw/zinc/03/16/58/561031658.db2.gz GGIYJDMOWHOTNY-HOTGVXAUSA-N 1 0 357.414 2.424 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000474144314 561066739 /nfs/dbraw/zinc/06/67/39/561066739.db2.gz YFPCQMWAKUGECZ-UHFFFAOYSA-N 1 0 371.397 2.030 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000474821300 561083708 /nfs/dbraw/zinc/08/37/08/561083708.db2.gz JOIOXZFRVIJHEN-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475112127 561090649 /nfs/dbraw/zinc/09/06/49/561090649.db2.gz DNHBOEONXADJJI-SFHVURJKSA-N 1 0 366.414 2.131 20 5 FEBDRO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000475568746 561100118 /nfs/dbraw/zinc/10/01/18/561100118.db2.gz FNEGPJQXVQFXPK-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475698144 561102585 /nfs/dbraw/zinc/10/25/85/561102585.db2.gz NMGDAMUWFXCSLY-CQSZACIVSA-N 1 0 352.387 2.005 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000476072764 561110757 /nfs/dbraw/zinc/11/07/57/561110757.db2.gz RYQXFPFYIUSFGZ-UHFFFAOYSA-N 1 0 361.402 2.301 20 5 FEBDRO COc1c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301333 561115982 /nfs/dbraw/zinc/11/59/82/561115982.db2.gz COJJLIKSJACJJE-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO CNc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000531370662 562443632 /nfs/dbraw/zinc/44/36/32/562443632.db2.gz MGTOBHINDLRYPK-UHFFFAOYSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000531691329 562454125 /nfs/dbraw/zinc/45/41/25/562454125.db2.gz SFEHPDFCXLDXFV-ZDUSSCGKSA-N 1 0 374.441 2.303 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532734684 562487044 /nfs/dbraw/zinc/48/70/44/562487044.db2.gz JTPPPRFJFJWKHO-CQSZACIVSA-N 1 0 372.425 2.465 20 5 FEBDRO COCCO[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000535578121 562561951 /nfs/dbraw/zinc/56/19/51/562561951.db2.gz AXIBSOMVDXHLHK-OAHLLOKOSA-N 1 0 354.403 2.110 20 5 FEBDRO C[N@H+](CCc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000537130125 562586156 /nfs/dbraw/zinc/58/61/56/562586156.db2.gz WUTQSYJKSMBARQ-UHFFFAOYSA-N 1 0 357.414 2.457 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114212 562603475 /nfs/dbraw/zinc/60/34/75/562603475.db2.gz KSCSPCPLJVWAJI-CQSZACIVSA-N 1 0 364.446 2.067 20 5 FEBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000546571442 562637815 /nfs/dbraw/zinc/63/78/15/562637815.db2.gz NGAWVDMDTNUVSU-KRWDZBQOSA-N 1 0 367.471 2.283 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000568989750 568260296 /nfs/dbraw/zinc/26/02/96/568260296.db2.gz ASHFOBKIQUGFDC-KRWDZBQOSA-N 1 0 367.471 2.343 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569676459 568418166 /nfs/dbraw/zinc/41/81/66/568418166.db2.gz ICPSWJUSNHRTFC-CABCVRRESA-N 1 0 362.430 2.005 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000570501124 568488815 /nfs/dbraw/zinc/48/88/15/568488815.db2.gz JQDJPYLMUZQGCM-IRXDYDNUSA-N 1 0 362.430 2.023 20 5 FEBDRO CC(C)CN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676214 568494927 /nfs/dbraw/zinc/49/49/27/568494927.db2.gz LGWQJAZJIUEORF-DLBZAZTESA-N 1 0 365.474 2.435 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823652212 599224679 /nfs/dbraw/zinc/22/46/79/599224679.db2.gz WTXVXTKAFSTVJY-CYBMUJFWSA-N 1 0 370.373 2.012 20 5 FEBDRO CNS(=O)(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000556937007 674428944 /nfs/dbraw/zinc/42/89/44/674428944.db2.gz UEFTZDWTCAHGTD-RAXLEYEMSA-N 1 0 353.444 2.012 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738358073 598469230 /nfs/dbraw/zinc/46/92/30/598469230.db2.gz KPONWRZFCFVSAJ-AWEZNQCLSA-N 1 0 357.418 2.230 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629594 607472137 /nfs/dbraw/zinc/47/21/37/607472137.db2.gz BEHORQWAKYRJBQ-HIFRSBDPSA-N 1 0 369.429 2.228 20 5 FEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000823620510 606716058 /nfs/dbraw/zinc/71/60/58/606716058.db2.gz MKVHTFFDGDLYMO-UHFFFAOYSA-N 1 0 372.433 2.379 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825849721 608376711 /nfs/dbraw/zinc/37/67/11/608376711.db2.gz LXOICJXVMPTIPR-HNNXBMFYSA-N 1 0 368.401 2.075 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826500808 608533351 /nfs/dbraw/zinc/53/33/51/608533351.db2.gz MXDNVTPIJUXJAM-UHFFFAOYSA-N 1 0 366.381 2.433 20 5 FEBDRO Cc1cc(NCC(=O)N2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814839922 674883169 /nfs/dbraw/zinc/88/31/69/674883169.db2.gz BHOTVHQHFGCFPT-UHFFFAOYSA-N 1 0 360.336 2.108 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000563421921 674885605 /nfs/dbraw/zinc/88/56/05/674885605.db2.gz XYXDFICQNNXLCC-UHFFFAOYSA-N 1 0 352.822 2.390 20 5 FEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814975155 674890985 /nfs/dbraw/zinc/89/09/85/674890985.db2.gz VDTUYWWDDJUILU-UHFFFAOYSA-N 1 0 367.830 2.253 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000565362938 675115159 /nfs/dbraw/zinc/11/51/59/675115159.db2.gz VKVGCCRVFOMMOS-MRXNPFEDSA-N 1 0 361.423 2.150 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000570321299 670695789 /nfs/dbraw/zinc/69/57/89/670695789.db2.gz DQUOIHJJBFCARI-GFCCVEGCSA-N 1 0 366.443 2.150 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108403785 670829609 /nfs/dbraw/zinc/82/96/09/670829609.db2.gz NHLJTAMMQYLNPQ-GFCCVEGCSA-N 1 0 359.835 2.011 20 5 FEBDRO C[NH+](C)CCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000112916040 670878665 /nfs/dbraw/zinc/87/86/65/670878665.db2.gz CZFMOKLJPSVEGQ-UHFFFAOYSA-N 1 0 353.394 2.446 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000572180022 670970376 /nfs/dbraw/zinc/97/03/76/670970376.db2.gz LCXCGXKAXHFNJA-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO COC1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000572475548 671006536 /nfs/dbraw/zinc/00/65/36/671006536.db2.gz JMXCSBFIRFDTLW-UHFFFAOYSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000572713434 671035685 /nfs/dbraw/zinc/03/56/85/671035685.db2.gz FQJIJQJCVXMFRO-CYBMUJFWSA-N 1 0 367.471 2.364 20 5 FEBDRO CO[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000566099141 675180392 /nfs/dbraw/zinc/18/03/92/675180392.db2.gz OECDHOYNSCUQKM-QWRGUYRKSA-N 1 0 361.320 2.192 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000566107661 675181490 /nfs/dbraw/zinc/18/14/90/675181490.db2.gz NMCMJBPRXKYAKM-OAHLLOKOSA-N 1 0 351.447 2.189 20 5 FEBDRO CCc1cnc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000575053211 671295387 /nfs/dbraw/zinc/29/53/87/671295387.db2.gz CFWRKRXSMCPWHC-ZDUSSCGKSA-N 1 0 351.428 2.186 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000575215512 671305632 /nfs/dbraw/zinc/30/56/32/671305632.db2.gz QXFTYAKRLGASJR-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576580856 671379188 /nfs/dbraw/zinc/37/91/88/671379188.db2.gz KACTWEMMENLOTJ-ARFHVFGLSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000609149965 675912039 /nfs/dbraw/zinc/91/20/39/675912039.db2.gz BNVHATPCCQERJQ-UHFFFAOYSA-N 1 0 362.459 2.461 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CCCC1 ZINC000609199193 675913847 /nfs/dbraw/zinc/91/38/47/675913847.db2.gz KIIGDNJJTCHXPO-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO CC(C)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000609440842 675922209 /nfs/dbraw/zinc/92/22/09/675922209.db2.gz ZJAQXQUDZSZBGY-UHFFFAOYSA-N 1 0 355.460 2.233 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000578707657 671684065 /nfs/dbraw/zinc/68/40/65/671684065.db2.gz TYELMKURALBCDZ-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(C[NH3+])CCC1 ZINC000579838742 671764732 /nfs/dbraw/zinc/76/47/32/671764732.db2.gz VGNZVAHJERDKHC-UHFFFAOYSA-N 1 0 371.235 2.109 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000580438902 671807753 /nfs/dbraw/zinc/80/77/53/671807753.db2.gz IVYPZXIRXOAJKM-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO O=C(CC[NH2+][C@H]1CCN(CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000580947111 671849165 /nfs/dbraw/zinc/84/91/65/671849165.db2.gz CREBOLPSEPREHY-NSHDSACASA-N 1 0 360.336 2.150 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000581467097 671899691 /nfs/dbraw/zinc/89/96/91/671899691.db2.gz BECDLLACIFUOMH-LLVKDONJSA-N 1 0 359.213 2.291 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000121745450 671956387 /nfs/dbraw/zinc/95/63/87/671956387.db2.gz SZDUESJOUUTTLR-LBPRGKRZSA-N 1 0 355.822 2.317 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000122375592 671965733 /nfs/dbraw/zinc/96/57/33/671965733.db2.gz LLSYWOGFOIUTEQ-BETUJISGSA-N 1 0 369.849 2.358 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261447 675961904 /nfs/dbraw/zinc/96/19/04/675961904.db2.gz GEVUZSWAHRXVBB-MGPQQGTHSA-N 1 0 368.459 2.016 20 5 FEBDRO C[C@@H]1C[NH+](CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 ZINC000610542496 675978913 /nfs/dbraw/zinc/97/89/13/675978913.db2.gz ZYWIVHAAEBOVFC-ZIAGYGMSSA-N 1 0 351.451 2.044 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000583809445 672128310 /nfs/dbraw/zinc/12/83/10/672128310.db2.gz QWYVUQGAWVAHPU-HNNXBMFYSA-N 1 0 367.471 2.406 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610668415 675987887 /nfs/dbraw/zinc/98/78/87/675987887.db2.gz YUKLRCHRYBBQSN-LLVKDONJSA-N 1 0 370.247 2.310 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000584526620 672196705 /nfs/dbraw/zinc/19/67/05/672196705.db2.gz APCYGGHASODBRZ-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO Cc1csc([C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000584586472 672202532 /nfs/dbraw/zinc/20/25/32/672202532.db2.gz BJDJLOZYZPONQS-AAEUAGOBSA-N 1 0 351.428 2.493 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000584783248 672215723 /nfs/dbraw/zinc/21/57/23/672215723.db2.gz CQCRTWBMWFYNSI-LBPRGKRZSA-N 1 0 365.821 2.057 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000176058693 672372617 /nfs/dbraw/zinc/37/26/17/672372617.db2.gz RIPUOWZRVWJMLD-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189094 672512375 /nfs/dbraw/zinc/51/23/75/672512375.db2.gz ZQUYGIBUQOXLQQ-WBMJQRKESA-N 1 0 366.805 2.201 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045988 672556070 /nfs/dbraw/zinc/55/60/70/672556070.db2.gz ZJDCEWQOQCNUPU-TVQRCGJNSA-N 1 0 354.204 2.133 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000591667345 672699028 /nfs/dbraw/zinc/69/90/28/672699028.db2.gz MGMUVWRAHLAXFF-ZDUSSCGKSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000591667344 672699311 /nfs/dbraw/zinc/69/93/11/672699311.db2.gz MGMUVWRAHLAXFF-CYBMUJFWSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591686017 672701620 /nfs/dbraw/zinc/70/16/20/672701620.db2.gz LNPICKQSSZARFW-QMTHXVAHSA-N 1 0 353.806 2.274 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000591770484 672709820 /nfs/dbraw/zinc/70/98/20/672709820.db2.gz MNBLUIHNFXUPRP-QRMWWUJWSA-N 1 0 360.357 2.475 20 5 FEBDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591933558 672723048 /nfs/dbraw/zinc/72/30/48/672723048.db2.gz CSOCKBLYYGZJAJ-GFCCVEGCSA-N 1 0 360.336 2.140 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592174018 672767761 /nfs/dbraw/zinc/76/77/61/672767761.db2.gz HWLABWMNOSFMOB-QZKOUSHUSA-N 1 0 353.444 2.420 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000592388521 672796320 /nfs/dbraw/zinc/79/63/20/672796320.db2.gz KIKJCEHOTBZLPP-UHFFFAOYSA-N 1 0 371.459 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391175 672796779 /nfs/dbraw/zinc/79/67/79/672796779.db2.gz ZDWMDDPWWRVUID-HOTGVXAUSA-N 1 0 367.471 2.136 20 5 FEBDRO CC[C@@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592544694 672813442 /nfs/dbraw/zinc/81/34/42/672813442.db2.gz HKRGZPIXWNPXKU-ZIAGYGMSSA-N 1 0 367.471 2.422 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066559 672871275 /nfs/dbraw/zinc/87/12/75/672871275.db2.gz NOYJIQAJPJWYMC-MLGOLLRUSA-N 1 0 364.833 2.467 20 5 FEBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262112429 672909304 /nfs/dbraw/zinc/90/93/04/672909304.db2.gz WORKGGGBTIKGIT-AWEZNQCLSA-N 1 0 354.838 2.068 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000593601445 672955061 /nfs/dbraw/zinc/95/50/61/672955061.db2.gz ILZDFSLANARPNH-HOTGVXAUSA-N 1 0 367.446 2.315 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911100 673007460 /nfs/dbraw/zinc/00/74/60/673007460.db2.gz CXWJXYMRQNQURR-SGMGOOAPSA-N 1 0 353.444 2.323 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000593919645 673008574 /nfs/dbraw/zinc/00/85/74/673008574.db2.gz WJDRQDQOKVBWBM-XFBWCDHKSA-N 1 0 351.378 2.235 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594483532 673087002 /nfs/dbraw/zinc/08/70/02/673087002.db2.gz NCOHXUAZQXWTLM-ZBFHGGJFSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000594532363 673095384 /nfs/dbraw/zinc/09/53/84/673095384.db2.gz PCFIKBPXAAPSMB-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728607169 673205620 /nfs/dbraw/zinc/20/56/20/673205620.db2.gz WFIUSLLDLBZIKC-GFCCVEGCSA-N 1 0 350.375 2.414 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000595340355 673227855 /nfs/dbraw/zinc/22/78/55/673227855.db2.gz RWXANEWXSAPIAI-QGZVFWFLSA-N 1 0 350.438 2.334 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000595380732 673238334 /nfs/dbraw/zinc/23/83/34/673238334.db2.gz BSNJYKLIFHCNQN-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410440 673245641 /nfs/dbraw/zinc/24/56/41/673245641.db2.gz MELZHPCWRBZOAA-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000595481619 673256235 /nfs/dbraw/zinc/25/62/35/673256235.db2.gz IVDKPYYOTHDFAC-JSGCOSHPSA-N 1 0 363.336 2.379 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3cccc(F)c3F)CC2)n1 ZINC000595506207 673259313 /nfs/dbraw/zinc/25/93/13/673259313.db2.gz CJHFVEAIHGJGPZ-UHFFFAOYSA-N 1 0 351.357 2.282 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462579347 673265126 /nfs/dbraw/zinc/26/51/26/673265126.db2.gz VRCHWLDEYAFFNO-HNNXBMFYSA-N 1 0 367.471 2.446 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814289 673292138 /nfs/dbraw/zinc/29/21/38/673292138.db2.gz LNVVPZXMDCVLSC-TXEJJXNPSA-N 1 0 359.423 2.275 20 5 FEBDRO CCOC(=O)CC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595874317 673332994 /nfs/dbraw/zinc/33/29/94/673332994.db2.gz QAZLKSZPOUEQCR-UHFFFAOYSA-N 1 0 352.387 2.066 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595907196 673337173 /nfs/dbraw/zinc/33/71/73/673337173.db2.gz SMVAOLIQASKOSP-SFHVURJKSA-N 1 0 351.447 2.406 20 5 FEBDRO CCC(CC)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000596070307 673355735 /nfs/dbraw/zinc/35/57/35/673355735.db2.gz APHUQSSFJSDNLP-CQSZACIVSA-N 1 0 358.464 2.021 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+](C)C(C)C ZINC000596110434 673359692 /nfs/dbraw/zinc/35/96/92/673359692.db2.gz OGFUOSCSEURDSX-UHFFFAOYSA-N 1 0 358.464 2.035 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596122870 673361023 /nfs/dbraw/zinc/36/10/23/673361023.db2.gz PYKUPVQXDZQONO-ZDUSSCGKSA-N 1 0 353.854 2.250 20 5 FEBDRO CCOc1cc(NC(=O)N[C@@]2(C)CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000596122037 673361065 /nfs/dbraw/zinc/36/10/65/673361065.db2.gz RHODKVNGTDSGBX-INIZCTEOSA-N 1 0 352.391 2.266 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000596145991 673363008 /nfs/dbraw/zinc/36/30/08/673363008.db2.gz JLPIZVJGQWXTKR-CHWSQXEVSA-N 1 0 370.475 2.178 20 5 FEBDRO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000596178491 673365323 /nfs/dbraw/zinc/36/53/23/673365323.db2.gz JIFSGLCJUFTPRZ-OCCSQVGLSA-N 1 0 353.854 2.105 20 5 FEBDRO C[NH+](C)CCOc1cc(CNc2c(Cl)cncc2[N+](=O)[O-])ccn1 ZINC000596180783 673365743 /nfs/dbraw/zinc/36/57/43/673365743.db2.gz UVYYDHOHQMUHGW-UHFFFAOYSA-N 1 0 351.794 2.013 20 5 FEBDRO C[NH+](C)CC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000732569687 673372462 /nfs/dbraw/zinc/37/24/62/673372462.db2.gz VYJDQCPQWOZIRA-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO Cc1c(C(=O)N2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000733975232 673447403 /nfs/dbraw/zinc/44/74/03/673447403.db2.gz KXBJVFFULMBCQM-UHFFFAOYSA-N 1 0 350.375 2.225 20 5 FEBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541389780 673552257 /nfs/dbraw/zinc/55/22/57/673552257.db2.gz LFAHBNBZRMVITJ-ZIAGYGMSSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598605141 673588861 /nfs/dbraw/zinc/58/88/61/673588861.db2.gz ADJFAKXAGVLTQN-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000598610197 673590221 /nfs/dbraw/zinc/59/02/21/673590221.db2.gz FZHPDDZXMAMXIM-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599073792 673631648 /nfs/dbraw/zinc/63/16/48/673631648.db2.gz RQDDGPSXOKLRPF-BPLDGKMQSA-N 1 0 355.460 2.414 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599100135 673633197 /nfs/dbraw/zinc/63/31/97/673633197.db2.gz FVGXCPRBECNYTE-AWEZNQCLSA-N 1 0 361.851 2.175 20 5 FEBDRO CN1CC[NH+](CC2CN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000599109332 673634054 /nfs/dbraw/zinc/63/40/54/673634054.db2.gz UMFVBEUSVIXXTO-UHFFFAOYSA-N 1 0 369.263 2.041 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222640 676165658 /nfs/dbraw/zinc/16/56/58/676165658.db2.gz QPBKSJLZIBDBHW-MRXNPFEDSA-N 1 0 350.415 2.227 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414947 673672679 /nfs/dbraw/zinc/67/26/79/673672679.db2.gz KSUANNAFPVYUFR-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000599416735 673673131 /nfs/dbraw/zinc/67/31/31/673673131.db2.gz XOWRRHXDIPHXQS-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO CC(C)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000742277087 673718024 /nfs/dbraw/zinc/71/80/24/673718024.db2.gz RWKVTEDCKFSALP-AWEZNQCLSA-N 1 0 370.475 2.025 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000544664914 673724620 /nfs/dbraw/zinc/72/46/20/673724620.db2.gz CZYHWFPUWCUHDE-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000600311021 673757637 /nfs/dbraw/zinc/75/76/37/673757637.db2.gz NPUAXYVDEZKXPI-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])s1 ZINC000601337632 673844585 /nfs/dbraw/zinc/84/45/85/673844585.db2.gz GDSXLZVKEGDPOU-NEPJUHHUSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601341570 673845085 /nfs/dbraw/zinc/84/50/85/673845085.db2.gz GJKONPBMZJBQAI-CHWSQXEVSA-N 1 0 373.500 2.365 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601356444 673847220 /nfs/dbraw/zinc/84/72/20/673847220.db2.gz QMIOXXXLXNCXPW-ZLDLUXBVSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601405309 673856925 /nfs/dbraw/zinc/85/69/25/673856925.db2.gz SWWIANIIFLDNNQ-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414588 673858411 /nfs/dbraw/zinc/85/84/11/673858411.db2.gz BCUFDCKWEIININ-TZMCWYRMSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414714 673858501 /nfs/dbraw/zinc/85/85/01/673858501.db2.gz FZDSPDOKXYNQJN-CHWSQXEVSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])s1 ZINC000601422267 673860065 /nfs/dbraw/zinc/86/00/65/673860065.db2.gz RVZRAFNANIALDG-CQSZACIVSA-N 1 0 359.473 2.071 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000746053461 673862313 /nfs/dbraw/zinc/86/23/13/673862313.db2.gz LDBRYYBLEKOVGF-CYBMUJFWSA-N 1 0 371.434 2.086 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746715679 673891078 /nfs/dbraw/zinc/89/10/78/673891078.db2.gz XMOBCICLDOEVQV-JTQLQIEISA-N 1 0 352.347 2.186 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000602532830 673907459 /nfs/dbraw/zinc/90/74/59/673907459.db2.gz MHKZHHYSFMTTQO-LBPRGKRZSA-N 1 0 354.204 2.372 20 5 FEBDRO COCC[C@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545655 673908092 /nfs/dbraw/zinc/90/80/92/673908092.db2.gz IATXRVRJNMDCNN-NSHDSACASA-N 1 0 353.238 2.296 20 5 FEBDRO COC[C@](C)(O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674359 673909647 /nfs/dbraw/zinc/90/96/47/673909647.db2.gz OWJQLWLYJKXGAH-LLVKDONJSA-N 1 0 353.238 2.296 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602734224 673910349 /nfs/dbraw/zinc/91/03/49/673910349.db2.gz YFCOHVKYGNQLRB-UHFFFAOYSA-N 1 0 352.431 2.341 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000602809133 673911383 /nfs/dbraw/zinc/91/13/83/673911383.db2.gz YVHQWYFAYFVXFW-ZDUSSCGKSA-N 1 0 369.219 2.185 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566242801 675197780 /nfs/dbraw/zinc/19/77/80/675197780.db2.gz JVBMEPVKHXBWMZ-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO CC(C)OCCN1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819128718 675263324 /nfs/dbraw/zinc/26/33/24/675263324.db2.gz QXUXURLULFNZQH-SFHVURJKSA-N 1 0 351.447 2.107 20 5 FEBDRO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000567252862 675278973 /nfs/dbraw/zinc/27/89/73/675278973.db2.gz RAQPAQXYNKRLJA-LBPRGKRZSA-N 1 0 350.419 2.082 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761548 676226493 /nfs/dbraw/zinc/22/64/93/676226493.db2.gz CNCKZQSLYDTDHN-GDBMZVCRSA-N 1 0 352.456 2.330 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000822931081 675517017 /nfs/dbraw/zinc/51/70/17/675517017.db2.gz KAHDUAYQDCABBR-OLZOCXBDSA-N 1 0 369.849 2.094 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000823310990 675544092 /nfs/dbraw/zinc/54/40/92/675544092.db2.gz VTJDQXGFHWLOIY-SNVBAGLBSA-N 1 0 354.794 2.031 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(N2CC[NH2+]CC2)no1 ZINC000823315939 675544267 /nfs/dbraw/zinc/54/42/67/675544267.db2.gz RDHFFIDVBDDZRT-VIFPVBQESA-N 1 0 353.766 2.181 20 5 FEBDRO O=C(N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2C1)C(F)(F)F ZINC000824827120 675623728 /nfs/dbraw/zinc/62/37/28/675623728.db2.gz ANLSGRSDCUVKPI-OLZOCXBDSA-N 1 0 357.332 2.437 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825568442 675659255 /nfs/dbraw/zinc/65/92/55/675659255.db2.gz XYYOTIATLMERED-LBPRGKRZSA-N 1 0 350.375 2.286 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000825670143 675663060 /nfs/dbraw/zinc/66/30/60/675663060.db2.gz IRWGQNRWYIMUMT-SNVBAGLBSA-N 1 0 371.235 2.355 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000827500955 675760917 /nfs/dbraw/zinc/76/09/17/675760917.db2.gz OYORSDZNXVHRAN-CYBMUJFWSA-N 1 0 368.865 2.312 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C[C@]2(C)C1 ZINC000827599367 675767077 /nfs/dbraw/zinc/76/70/77/675767077.db2.gz XMDPEQIVSYPEGJ-HOTGVXAUSA-N 1 0 370.812 2.383 20 5 FEBDRO CN(C)CCN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCC1 ZINC000828090487 675797343 /nfs/dbraw/zinc/79/73/43/675797343.db2.gz CFZWYHFNEHHDMV-UHFFFAOYSA-N 1 0 355.460 2.309 20 5 FEBDRO COC(=O)c1ccnc(N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603422349 675799109 /nfs/dbraw/zinc/79/91/09/675799109.db2.gz GNIXYJUGMCVOOF-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616423030 676249823 /nfs/dbraw/zinc/24/98/23/676249823.db2.gz DYOUAXNFFXCOEE-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000618455672 676340342 /nfs/dbraw/zinc/34/03/42/676340342.db2.gz CTQXRVJOTDAYHU-CYBMUJFWSA-N 1 0 355.822 2.397 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000619474055 676378939 /nfs/dbraw/zinc/37/89/39/676378939.db2.gz UOVYLBXRNDQPIT-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc([N+](=O)[O-])ccc1Cl)C2=O ZINC000830441633 677039875 /nfs/dbraw/zinc/03/98/75/677039875.db2.gz IRYBRRKICGFZQN-MEDUHNTESA-N 1 0 366.805 2.188 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830452066 677040535 /nfs/dbraw/zinc/04/05/35/677040535.db2.gz XGFVQBVHSZPHEB-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000760519311 680691321 /nfs/dbraw/zinc/69/13/21/680691321.db2.gz IWBPZGLGSWBLGQ-TZMCWYRMSA-N 1 0 357.357 2.232 20 5 FEBDRO Cc1ccc(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cc1[N+](=O)[O-] ZINC000839177074 680742981 /nfs/dbraw/zinc/74/29/81/680742981.db2.gz UKFMPUPJVOHDKL-INIZCTEOSA-N 1 0 350.415 2.409 20 5 FEBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000839484880 680755661 /nfs/dbraw/zinc/75/56/61/680755661.db2.gz NYIFPBKTVAIQDG-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839497504 680757085 /nfs/dbraw/zinc/75/70/85/680757085.db2.gz ZCLDRGPPNNQQRP-WDEREUQCSA-N 1 0 368.821 2.176 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC000841104535 680863620 /nfs/dbraw/zinc/86/36/20/680863620.db2.gz YCCVFEWYOZLKPX-NSHDSACASA-N 1 0 368.821 2.467 20 5 FEBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCSC1 ZINC000748283607 679949033 /nfs/dbraw/zinc/94/90/33/679949033.db2.gz QVGVYBSFJMPSAA-KRWDZBQOSA-N 1 0 364.471 2.336 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC)C[NH+](C)C ZINC000831731912 680033824 /nfs/dbraw/zinc/03/38/24/680033824.db2.gz XDCMBYPPMIYXBC-CYBMUJFWSA-N 1 0 355.460 2.403 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000750001765 680094480 /nfs/dbraw/zinc/09/44/80/680094480.db2.gz LZQHAWSSVAJLBN-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[NH+](C)C ZINC000832399484 680130007 /nfs/dbraw/zinc/13/00/07/680130007.db2.gz CVLMINOKAICMCB-ZETCQYMHSA-N 1 0 356.231 2.130 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832490926 680139426 /nfs/dbraw/zinc/13/94/26/680139426.db2.gz RSPDEJWMSSFYAN-TZMCWYRMSA-N 1 0 368.821 2.419 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000752234499 680231145 /nfs/dbraw/zinc/23/11/45/680231145.db2.gz IJLISLBOKIKLHE-QWHCGFSZSA-N 1 0 373.862 2.462 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1Cl ZINC000834569780 680243333 /nfs/dbraw/zinc/24/33/33/680243333.db2.gz VKXJYDYCAMCFAW-INIZCTEOSA-N 1 0 355.822 2.085 20 5 FEBDRO C[C@@H]([NH3+])C1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000912151627 685320014 /nfs/dbraw/zinc/32/00/14/685320014.db2.gz ZIUHBGLCZMOGJK-LLVKDONJSA-N 1 0 355.822 2.351 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000996428380 680332425 /nfs/dbraw/zinc/33/24/25/680332425.db2.gz ACNFUPLPLYRHQQ-HUUCEWRRSA-N 1 0 353.369 2.370 20 5 FEBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000754383706 680353297 /nfs/dbraw/zinc/35/32/97/680353297.db2.gz KYEPGGNLLSFPER-AWEZNQCLSA-N 1 0 361.423 2.259 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754391966 680353892 /nfs/dbraw/zinc/35/38/92/680353892.db2.gz YXUZQCNKQHWXQR-STQMWFEESA-N 1 0 352.412 2.109 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000997771960 680365566 /nfs/dbraw/zinc/36/55/66/680365566.db2.gz JXENCKMVKSXTBT-UKRRQHHQSA-N 1 0 369.824 2.473 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](Cc2ccns2)CC2CC2)CC1 ZINC001039485809 680463732 /nfs/dbraw/zinc/46/37/32/680463732.db2.gz QNTRBVYGRUFHKC-HZPDHXFCSA-N 1 0 364.471 2.011 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCOCC2)cc1Cl ZINC000836701119 680501629 /nfs/dbraw/zinc/50/16/29/680501629.db2.gz OGVFSDHSQPUOGN-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)CCN(C)C)cc1Cl ZINC000836789470 680514226 /nfs/dbraw/zinc/51/42/26/680514226.db2.gz NGHBPZGHMAAMSH-UHFFFAOYSA-N 1 0 356.854 2.170 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000836791792 680514508 /nfs/dbraw/zinc/51/45/08/680514508.db2.gz ZDZVCZUDJRQGAV-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838185085 680678103 /nfs/dbraw/zinc/67/81/03/680678103.db2.gz DKQLRSYLHBIPCF-MRXNPFEDSA-N 1 0 363.439 2.280 20 5 FEBDRO C[NH2+]CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841914902 680917151 /nfs/dbraw/zinc/91/71/51/680917151.db2.gz KYAFOOVYPRETEQ-UHFFFAOYSA-N 1 0 371.235 2.035 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000767637685 680919892 /nfs/dbraw/zinc/91/98/92/680919892.db2.gz MPVLXZZCYZSCBU-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475628 680949149 /nfs/dbraw/zinc/94/91/49/680949149.db2.gz WKHBFIAJYANQQL-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842479145 680949433 /nfs/dbraw/zinc/94/94/33/680949433.db2.gz XODGIKCHVFKHDD-UTUOFQBUSA-N 1 0 354.838 2.492 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842700428 680960370 /nfs/dbraw/zinc/96/03/70/680960370.db2.gz YZKTWBHCCJZCEJ-GHMZBOCLSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000842699410 680960372 /nfs/dbraw/zinc/96/03/72/680960372.db2.gz NWEUBJARJMLHJK-MNOVXSKESA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c1[N+](=O)[O-] ZINC000842702821 680960619 /nfs/dbraw/zinc/96/06/19/680960619.db2.gz OSTNQQQGPZDUMS-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000842702874 680960684 /nfs/dbraw/zinc/96/06/84/680960684.db2.gz REXGKPFBFFBKAQ-UHFFFAOYSA-N 1 0 363.439 2.137 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000842776658 680965874 /nfs/dbraw/zinc/96/58/74/680965874.db2.gz NJQMCYXIBDZYIR-GFCCVEGCSA-N 1 0 361.851 2.175 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000843064115 680985378 /nfs/dbraw/zinc/98/53/78/680985378.db2.gz VXZGFDQWGNEDHY-CXAGYDPISA-N 1 0 364.423 2.080 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(CC[NH3+])n1 ZINC000843371435 681000189 /nfs/dbraw/zinc/00/01/89/681000189.db2.gz QVAFOGWTAJOYEV-UHFFFAOYSA-N 1 0 354.819 2.478 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC[NH+]1CCCCC1 ZINC000770413932 681015626 /nfs/dbraw/zinc/01/56/26/681015626.db2.gz CQGMGKQAEDDMCN-UHFFFAOYSA-N 1 0 351.359 2.465 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000843820319 681020266 /nfs/dbraw/zinc/02/02/66/681020266.db2.gz RIDWXHJVDHUVCT-ZDUSSCGKSA-N 1 0 351.378 2.025 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771140343 681043579 /nfs/dbraw/zinc/04/35/79/681043579.db2.gz LGGKVTIDDVEKQN-GFCCVEGCSA-N 1 0 369.853 2.396 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000771663298 681065491 /nfs/dbraw/zinc/06/54/91/681065491.db2.gz LIYWDWVFUUBYNM-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000846611566 681267834 /nfs/dbraw/zinc/26/78/34/681267834.db2.gz DULPWCJMAWOWFW-UHFFFAOYSA-N 1 0 350.375 2.369 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000848301334 681510300 /nfs/dbraw/zinc/51/03/00/681510300.db2.gz JUCCCLPRWBVVPO-UHFFFAOYSA-N 1 0 350.375 2.449 20 5 FEBDRO C[NH+]1CCC(NC(=S)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000777924326 681544491 /nfs/dbraw/zinc/54/44/91/681544491.db2.gz VSOASCFOCJIPHG-UHFFFAOYSA-N 1 0 356.879 2.349 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848474854 681557751 /nfs/dbraw/zinc/55/77/51/681557751.db2.gz JYIMIXXFDUTLRV-PHIMTYICSA-N 1 0 361.851 2.175 20 5 FEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848536906 681574441 /nfs/dbraw/zinc/57/44/41/681574441.db2.gz YCHAUAWNBRFNTP-KGLIPLIRSA-N 1 0 353.444 2.313 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582148 681582515 /nfs/dbraw/zinc/58/25/15/681582515.db2.gz XSVGOSRULGLLDT-GFCCVEGCSA-N 1 0 357.357 2.367 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848658155 681595021 /nfs/dbraw/zinc/59/50/21/681595021.db2.gz DAKLRZBHVICRPH-OAHLLOKOSA-N 1 0 364.471 2.478 20 5 FEBDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000934750758 681620958 /nfs/dbraw/zinc/62/09/58/681620958.db2.gz RNQMHIPORTXOEV-DEOSSOPVSA-N 1 0 354.476 2.381 20 5 FEBDRO COc1cc(C[NH2+]CC[S@](=O)CC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000850348036 681889097 /nfs/dbraw/zinc/88/90/97/681889097.db2.gz DAOWINQONDBLSK-DEOSSOPVSA-N 1 0 370.349 2.013 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525093 682053785 /nfs/dbraw/zinc/05/37/85/682053785.db2.gz VFDKJYNVODCEEZ-OLZOCXBDSA-N 1 0 352.410 2.477 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000851894619 682180118 /nfs/dbraw/zinc/18/01/18/682180118.db2.gz MTSSKUNEBDNCCK-GFCCVEGCSA-N 1 0 359.473 2.057 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000918744504 685541859 /nfs/dbraw/zinc/54/18/59/685541859.db2.gz IUEJKMRQQHPTHP-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1c(C[NH3+])c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nn1C ZINC000852899462 682355041 /nfs/dbraw/zinc/35/50/41/682355041.db2.gz IFRCIINVFNKODY-UHFFFAOYSA-N 1 0 355.757 2.069 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790014461 682646583 /nfs/dbraw/zinc/64/65/83/682646583.db2.gz JVAOBNBAWJLPFP-UHFFFAOYSA-N 1 0 366.395 2.433 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855285965 682653786 /nfs/dbraw/zinc/65/37/86/682653786.db2.gz KELRATMXENPLJK-GFCCVEGCSA-N 1 0 350.375 2.414 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856772339 682808856 /nfs/dbraw/zinc/80/88/56/682808856.db2.gz WTMUZCUYEBTHDK-GFCCVEGCSA-N 1 0 370.247 2.393 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000857765889 682910695 /nfs/dbraw/zinc/91/06/95/682910695.db2.gz LMUZYNDLWLPIJI-ZLKJLUDKSA-N 1 0 355.341 2.152 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763294 682910748 /nfs/dbraw/zinc/91/07/48/682910748.db2.gz VONGCRLJEOTSQY-NSHDSACASA-N 1 0 355.341 2.357 20 5 FEBDRO CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858822771 683004836 /nfs/dbraw/zinc/00/48/36/683004836.db2.gz PJZFEKJNKDKINZ-VHSXEESVSA-N 1 0 363.386 2.168 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000859276765 683071149 /nfs/dbraw/zinc/07/11/49/683071149.db2.gz OATKAFJMWOOTCD-CYBMUJFWSA-N 1 0 371.434 2.419 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337704 683086746 /nfs/dbraw/zinc/08/67/46/683086746.db2.gz NVTHNTZHYNOQGX-LBPRGKRZSA-N 1 0 366.849 2.147 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000861036369 683335252 /nfs/dbraw/zinc/33/52/52/683335252.db2.gz LYRQWCPUXDMHDR-AWEZNQCLSA-N 1 0 352.387 2.179 20 5 FEBDRO C[NH+](C)CC1(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCC1 ZINC000798406889 683343898 /nfs/dbraw/zinc/34/38/98/683343898.db2.gz OGNFDGBJDZJWMG-UHFFFAOYSA-N 1 0 363.386 2.487 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861341333 683391488 /nfs/dbraw/zinc/39/14/88/683391488.db2.gz PLVQEIQNWUMQNA-SUMWQHHRSA-N 1 0 352.387 2.260 20 5 FEBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713518 683459631 /nfs/dbraw/zinc/45/96/31/683459631.db2.gz DBFXWKFYAVMWHH-GHMZBOCLSA-N 1 0 374.224 2.183 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861909869 683498340 /nfs/dbraw/zinc/49/83/40/683498340.db2.gz RXRSTDSSGJQJCP-APAOZMKASA-N 1 0 353.806 2.034 20 5 FEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000929122685 683549394 /nfs/dbraw/zinc/54/93/94/683549394.db2.gz RRNRGGHWTQYLND-UHFFFAOYSA-N 1 0 371.235 2.106 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929216502 683564091 /nfs/dbraw/zinc/56/40/91/683564091.db2.gz BYSAIJUGIGGIDC-HUUCEWRRSA-N 1 0 368.821 2.311 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863033906 683668261 /nfs/dbraw/zinc/66/82/61/683668261.db2.gz YPXFPABFKKGSJW-LBPRGKRZSA-N 1 0 361.427 2.346 20 5 FEBDRO C[NH+]1CCC(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865095451 683935086 /nfs/dbraw/zinc/93/50/86/683935086.db2.gz NVEXHYMCOMNHTG-UHFFFAOYSA-N 1 0 370.247 2.358 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000866374634 684095779 /nfs/dbraw/zinc/09/57/79/684095779.db2.gz MFBLMFLQBJMWSV-LBPRGKRZSA-N 1 0 358.435 2.469 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1F ZINC000866750602 684145405 /nfs/dbraw/zinc/14/54/05/684145405.db2.gz ONCHMAUZGZPNKW-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866827535 684162611 /nfs/dbraw/zinc/16/26/11/684162611.db2.gz ONLSCHDGHBSBCG-RYUDHWBXSA-N 1 0 359.835 2.072 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000866863670 684170049 /nfs/dbraw/zinc/17/00/49/684170049.db2.gz RWQRKONUMXBTIT-OCCSQVGLSA-N 1 0 373.450 2.393 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923730707 684341292 /nfs/dbraw/zinc/34/12/92/684341292.db2.gz HKWSVPMLLONWJQ-INIZCTEOSA-N 1 0 353.444 2.064 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931988019 684383531 /nfs/dbraw/zinc/38/35/31/684383531.db2.gz IJIAXCPKORBCGH-CYBMUJFWSA-N 1 0 369.849 2.408 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000868519619 684505111 /nfs/dbraw/zinc/50/51/11/684505111.db2.gz CYEONUUGRNQLHB-SMDDNHRTSA-N 1 0 368.231 2.062 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925763245 684583548 /nfs/dbraw/zinc/58/35/48/684583548.db2.gz RDNDAVUQAMZWTF-HUUCEWRRSA-N 1 0 370.247 2.214 20 5 FEBDRO Cc1c(C[NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)cccc1[N+](=O)[O-] ZINC000873130217 685078470 /nfs/dbraw/zinc/07/84/70/685078470.db2.gz AUKWMSUPUXARCS-INIZCTEOSA-N 1 0 350.415 2.409 20 5 FEBDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876723345 686253653 /nfs/dbraw/zinc/25/36/53/686253653.db2.gz UDRBMUMUGSFMDQ-UHFFFAOYSA-N 1 0 369.487 2.458 20 5 FEBDRO C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[NH2+]1 ZINC000877050250 686318732 /nfs/dbraw/zinc/31/87/32/686318732.db2.gz GWIRYFBJTXSGLK-IONNQARKSA-N 1 0 360.183 2.367 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000877357979 686361562 /nfs/dbraw/zinc/36/15/62/686361562.db2.gz AKXCXYPXJDTRTJ-IUCAKERBSA-N 1 0 351.712 2.457 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877369365 686367213 /nfs/dbraw/zinc/36/72/13/686367213.db2.gz YKHZSNTWKCEECA-XCBNKYQSSA-N 1 0 351.712 2.457 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877396380 686371602 /nfs/dbraw/zinc/37/16/02/686371602.db2.gz WGNCNUSEDOPTHN-DOTOQJQBSA-N 1 0 365.455 2.237 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)n1 ZINC000878525033 686601431 /nfs/dbraw/zinc/60/14/31/686601431.db2.gz XBLIAZUUWMPUES-OAHLLOKOSA-N 1 0 350.419 2.156 20 5 FEBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879273396 686784664 /nfs/dbraw/zinc/78/46/64/686784664.db2.gz JKEQGAXXNNGSMG-IAGOWNOFSA-N 1 0 352.337 2.404 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC000879735183 686897129 /nfs/dbraw/zinc/89/71/29/686897129.db2.gz UTWQHBUIVDSVJN-MRXNPFEDSA-N 1 0 368.455 2.450 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000881958193 687270078 /nfs/dbraw/zinc/27/00/78/687270078.db2.gz DPHVRKJIULHEKD-NEPJUHHUSA-N 1 0 373.862 2.414 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000882335402 687349669 /nfs/dbraw/zinc/34/96/69/687349669.db2.gz UZJAHPBBDLZCQE-PHIMTYICSA-N 1 0 361.851 2.175 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882768928 687480653 /nfs/dbraw/zinc/48/06/53/687480653.db2.gz ZPWCLZDNBLMEEA-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO O=C(CCN1CC[NH2+]CCC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000883459113 687635004 /nfs/dbraw/zinc/63/50/04/687635004.db2.gz KOXKYTAURZOVNC-UHFFFAOYSA-N 1 0 350.394 2.281 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884956018 687974313 /nfs/dbraw/zinc/97/43/13/687974313.db2.gz XPNJHFXWSJKMSO-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000885455189 688077031 /nfs/dbraw/zinc/07/70/31/688077031.db2.gz HUBKTRSMKMONJC-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886564555 688276157 /nfs/dbraw/zinc/27/61/57/688276157.db2.gz ZYIJWGIQXVZQGV-TXEJJXNPSA-N 1 0 351.428 2.227 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCC[NH+]1CCC(O)CC1 ZINC000891905392 689124889 /nfs/dbraw/zinc/12/48/89/689124889.db2.gz QBLGPGRHRIFGRU-UHFFFAOYSA-N 1 0 364.833 2.477 20 5 FEBDRO C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000892293902 689176462 /nfs/dbraw/zinc/17/64/62/689176462.db2.gz HBSGANQUCSBBOC-BXKDBHETSA-N 1 0 371.235 2.297 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894427017 689530244 /nfs/dbraw/zinc/53/02/44/689530244.db2.gz FIRBQXSIWBPFMB-ZDUSSCGKSA-N 1 0 361.851 2.152 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2COCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000894874565 689612242 /nfs/dbraw/zinc/61/22/42/689612242.db2.gz ZPODWQVQTCAXHF-SNVBAGLBSA-N 1 0 366.292 2.007 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1Br ZINC000896855565 689939752 /nfs/dbraw/zinc/93/97/52/689939752.db2.gz BGIOXIBTWOFQPZ-XLDPMVHQSA-N 1 0 363.233 2.312 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219619 689989658 /nfs/dbraw/zinc/98/96/58/689989658.db2.gz MBASHQUWWORNJT-OLZOCXBDSA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1OC(F)F ZINC000897221837 689990796 /nfs/dbraw/zinc/99/07/96/689990796.db2.gz PATTZPAJRRRPOC-OLZOCXBDSA-N 1 0 357.357 2.232 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1OC(F)F ZINC000897221839 689990802 /nfs/dbraw/zinc/99/08/02/689990802.db2.gz PATTZPAJRRRPOC-STQMWFEESA-N 1 0 357.357 2.232 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897312388 690004426 /nfs/dbraw/zinc/00/44/26/690004426.db2.gz DYDIHPRDQJJYCO-UHFFFAOYSA-N 1 0 368.192 2.349 20 5 FEBDRO CO[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000903311443 690881251 /nfs/dbraw/zinc/88/12/51/690881251.db2.gz UDXXGTQDCFELCQ-WBMJQRKESA-N 1 0 353.444 2.424 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1 ZINC000905593630 691147946 /nfs/dbraw/zinc/14/79/46/691147946.db2.gz GRBRVTPIKDDGBO-OAHLLOKOSA-N 1 0 368.455 2.450 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853090 691183201 /nfs/dbraw/zinc/18/32/01/691183201.db2.gz PBXLLIYFAATQDU-JGGQBBKZSA-N 1 0 364.471 2.091 20 5 FEBDRO CCO[C@@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000906373583 691259397 /nfs/dbraw/zinc/25/93/97/691259397.db2.gz ZEDYDFBQFVBZPL-NSHDSACASA-N 1 0 374.235 2.054 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000908421119 691676895 /nfs/dbraw/zinc/67/68/95/691676895.db2.gz AQVJOZJSGMLAMH-MRXNPFEDSA-N 1 0 352.822 2.388 20 5 FEBDRO CC(C)N(C)Cc1nn(-c2nccc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684206 719604643 /nfs/dbraw/zinc/60/46/43/719604643.db2.gz MZHPEKYILUZUMU-UHFFFAOYSA-N 1 0 364.837 2.315 20 5 FEBDRO CC(C)[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCN(C)CC1 ZINC000516116504 816637631 /nfs/dbraw/zinc/63/76/31/816637631.db2.gz LARAURPEDPANCV-MRXNPFEDSA-N 1 0 358.446 2.222 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473510047 887208061 /nfs/dbraw/zinc/20/80/61/887208061.db2.gz FCHDQFOQBUSTBI-INIZCTEOSA-N 1 0 371.441 2.498 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524413 887814782 /nfs/dbraw/zinc/81/47/82/887814782.db2.gz OJVLVSLBBSMQQN-AWEZNQCLSA-N 1 0 357.414 2.142 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000017281840 539640689 /nfs/dbraw/zinc/64/06/89/539640689.db2.gz KCFPSPMBPVRIEK-CYBMUJFWSA-N 1 0 370.475 2.179 20 5 FEBDRO C[NH+]1CCN(c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000022424717 539694850 /nfs/dbraw/zinc/69/48/50/539694850.db2.gz QVKROJSXDLZHRE-UHFFFAOYSA-N 1 0 356.386 2.386 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000030338147 539879598 /nfs/dbraw/zinc/87/95/98/539879598.db2.gz QDFBPZZQDCMKAO-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000041277599 540015926 /nfs/dbraw/zinc/01/59/26/540015926.db2.gz YXWZVLTXYPKNCC-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000041488201 540024037 /nfs/dbraw/zinc/02/40/37/540024037.db2.gz GIQZQCLZQXTPLD-GJZGRUSLSA-N 1 0 363.462 2.426 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000041488200 540024086 /nfs/dbraw/zinc/02/40/86/540024086.db2.gz GIQZQCLZQXTPLD-CABCVRRESA-N 1 0 363.462 2.426 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000041775103 540032502 /nfs/dbraw/zinc/03/25/02/540032502.db2.gz GJDSFPFXUQCYEV-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO C[NH+](C)Cc1cccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000047538343 540316724 /nfs/dbraw/zinc/31/67/24/540316724.db2.gz GYFOFJLGMQHQMI-UHFFFAOYSA-N 1 0 356.382 2.025 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000047672098 540323644 /nfs/dbraw/zinc/32/36/44/540323644.db2.gz ZHIJGKYOPWOEMJ-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000050802900 540415247 /nfs/dbraw/zinc/41/52/47/540415247.db2.gz KGSNATGDXCDLSV-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000051763909 540443575 /nfs/dbraw/zinc/44/35/75/540443575.db2.gz SEYSZDPIXMIUQD-HUUCEWRRSA-N 1 0 361.442 2.443 20 5 FEBDRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000053237034 540519818 /nfs/dbraw/zinc/51/98/18/540519818.db2.gz PHZMBIMAIYNHCL-UHFFFAOYSA-N 1 0 352.822 2.214 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)CC1 ZINC000057273822 540784672 /nfs/dbraw/zinc/78/46/72/540784672.db2.gz QRKUBFJZBICNBD-UHFFFAOYSA-N 1 0 369.425 2.177 20 5 FEBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000058739106 540854839 /nfs/dbraw/zinc/85/48/39/540854839.db2.gz ZOCKWVWCBAETSC-UHFFFAOYSA-N 1 0 370.365 2.317 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109293945 209302547 /nfs/dbraw/zinc/30/25/47/209302547.db2.gz ZUMBSJMSZPFPOZ-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604427 541135157 /nfs/dbraw/zinc/13/51/57/541135157.db2.gz DDYSAPDRYIITQG-UHFFFAOYSA-N 1 0 355.398 2.091 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000063518969 541172369 /nfs/dbraw/zinc/17/23/69/541172369.db2.gz KOKHHFCHRVKLNZ-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000063550680 541173184 /nfs/dbraw/zinc/17/31/84/541173184.db2.gz WDURMFAEYJVPRI-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000063852607 541188874 /nfs/dbraw/zinc/18/88/74/541188874.db2.gz XLTGUWVBBPRQQD-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000625 541277415 /nfs/dbraw/zinc/27/74/15/541277415.db2.gz FLGYKSSMOQBTJY-TXEJJXNPSA-N 1 0 361.489 2.303 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000066327371 541302119 /nfs/dbraw/zinc/30/21/19/541302119.db2.gz UCBSGUYCSDSMFN-CYBMUJFWSA-N 1 0 369.468 2.108 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067233060 541434768 /nfs/dbraw/zinc/43/47/68/541434768.db2.gz HOGQKNFGOCRYHI-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067398279 541457169 /nfs/dbraw/zinc/45/71/69/541457169.db2.gz ZTYJAKLJENDVCX-JSGCOSHPSA-N 1 0 362.430 2.078 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000067636085 541493113 /nfs/dbraw/zinc/49/31/13/541493113.db2.gz CENKUIHJWJSMTQ-CYBMUJFWSA-N 1 0 365.430 2.462 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000068223046 541565529 /nfs/dbraw/zinc/56/55/29/541565529.db2.gz DKXGHCQOHHJRJV-AWEZNQCLSA-N 1 0 351.403 2.088 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000068386480 541585709 /nfs/dbraw/zinc/58/57/09/541585709.db2.gz CJQWUILXGHTRIB-ZDUSSCGKSA-N 1 0 359.430 2.345 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000068881922 541636664 /nfs/dbraw/zinc/63/66/64/541636664.db2.gz DWIDDJRMRLHBPC-UHFFFAOYSA-N 1 0 365.430 2.315 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068935611 541642256 /nfs/dbraw/zinc/64/22/56/541642256.db2.gz CDQYWWZGWYUPIO-GFCCVEGCSA-N 1 0 351.403 2.072 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000069469961 541687727 /nfs/dbraw/zinc/68/77/27/541687727.db2.gz SBMKPEIJIAPINY-INIZCTEOSA-N 1 0 362.430 2.243 20 5 FEBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000069406650 541684341 /nfs/dbraw/zinc/68/43/41/541684341.db2.gz XPPMSOBUBMGULB-GJZGRUSLSA-N 1 0 364.446 2.393 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)C[C@H](C)O1 ZINC000071952672 541776283 /nfs/dbraw/zinc/77/62/83/541776283.db2.gz KVBKYHNBRGCOTO-BETUJISGSA-N 1 0 372.429 2.188 20 5 FEBDRO C[NH+](C)C1(C(=O)NCCc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000074067174 542033499 /nfs/dbraw/zinc/03/34/99/542033499.db2.gz RDXJEFBSKONPGW-UHFFFAOYSA-N 1 0 353.422 2.353 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000074073618 542034574 /nfs/dbraw/zinc/03/45/74/542034574.db2.gz UKIJVWGXQSPCNC-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000801571815 674136842 /nfs/dbraw/zinc/13/68/42/674136842.db2.gz CRNFUVGUBKBYPM-INIZCTEOSA-N 1 0 353.423 2.028 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332839 542455836 /nfs/dbraw/zinc/45/58/36/542455836.db2.gz GLXABHSKGIWVSY-OCCSQVGLSA-N 1 0 355.460 2.165 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000078885501 542486085 /nfs/dbraw/zinc/48/60/85/542486085.db2.gz GGXDGFCUHQQTFX-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1c(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000085548326 542729034 /nfs/dbraw/zinc/72/90/34/542729034.db2.gz XJFGEWUUJKRESU-LSDHHAIUSA-N 1 0 362.430 2.356 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961493 542777308 /nfs/dbraw/zinc/77/73/08/542777308.db2.gz VJPVWEGVYVCSKC-ROUUACIJSA-N 1 0 369.421 2.268 20 5 FEBDRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000090652685 542787944 /nfs/dbraw/zinc/78/79/44/542787944.db2.gz KKTZYZXOGITHMV-ZDUSSCGKSA-N 1 0 351.403 2.097 20 5 FEBDRO COc1cc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000091453680 542808614 /nfs/dbraw/zinc/80/86/14/542808614.db2.gz QPRQYHIRMZSGEU-LBPRGKRZSA-N 1 0 353.394 2.432 20 5 FEBDRO Cn1cc(C(=O)NC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000092074098 542843984 /nfs/dbraw/zinc/84/39/84/542843984.db2.gz ZTLWEPKMTHYVBV-GQCTYLIASA-N 1 0 369.425 2.236 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247423765 549332608 /nfs/dbraw/zinc/33/26/08/549332608.db2.gz OEUNFMUHNOSKBY-YGRLFVJLSA-N 1 0 350.375 2.224 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000098099123 543021008 /nfs/dbraw/zinc/02/10/08/543021008.db2.gz PNNDGCCUIWAIOA-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102410353 543069222 /nfs/dbraw/zinc/06/92/22/543069222.db2.gz GIHMVEGLPBUAEN-OAHLLOKOSA-N 1 0 373.413 2.466 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000102410346 543069387 /nfs/dbraw/zinc/06/93/87/543069387.db2.gz TZTDRCZDRINFKR-OAHLLOKOSA-N 1 0 373.413 2.466 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490128 543071742 /nfs/dbraw/zinc/07/17/42/543071742.db2.gz VRACQCOPYUGLDV-OKILXGFUSA-N 1 0 365.478 2.399 20 5 FEBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000104529127 543133998 /nfs/dbraw/zinc/13/39/98/543133998.db2.gz VJCUWURGCDUIFP-UHFFFAOYSA-N 1 0 374.445 2.144 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104664088 543136642 /nfs/dbraw/zinc/13/66/42/543136642.db2.gz MUZWZIXDMAKNMO-HNNXBMFYSA-N 1 0 358.398 2.345 20 5 FEBDRO COCC[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104664184 543136699 /nfs/dbraw/zinc/13/66/99/543136699.db2.gz YPDDNMPEVALXED-UHFFFAOYSA-N 1 0 360.414 2.056 20 5 FEBDRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000104730423 543140012 /nfs/dbraw/zinc/14/00/12/543140012.db2.gz NYINEBHEFOWMRJ-UHFFFAOYSA-N 1 0 360.414 2.010 20 5 FEBDRO Cc1cccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282810 543265095 /nfs/dbraw/zinc/26/50/95/543265095.db2.gz ITDGCEWKADUXHD-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000109792451 543339402 /nfs/dbraw/zinc/33/94/02/543339402.db2.gz VGRLTFLYIRVZCB-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO CC(C)(CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000109983005 543345398 /nfs/dbraw/zinc/34/53/98/543345398.db2.gz SNVJXYZQDOMSFT-UHFFFAOYSA-N 1 0 372.425 2.431 20 5 FEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c2c(c1)COCO2 ZINC000110848959 543369898 /nfs/dbraw/zinc/36/98/98/543369898.db2.gz KIORXWLOYPERNW-LBPRGKRZSA-N 1 0 350.371 2.046 20 5 FEBDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221049 543385935 /nfs/dbraw/zinc/38/59/35/543385935.db2.gz QAUBZJATKIPMQZ-TZMCWYRMSA-N 1 0 358.398 2.378 20 5 FEBDRO O=[N+]([O-])c1c(Nc2cnn(CCN3CCOCC3)c2)ccc2ncccc21 ZINC000112080031 543429912 /nfs/dbraw/zinc/42/99/12/543429912.db2.gz NUCKBRDFOPQOHW-UHFFFAOYSA-N 1 0 368.397 2.415 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000112851487 543465401 /nfs/dbraw/zinc/46/54/01/543465401.db2.gz KAAFBOIETJKBFS-ZBFHGGJFSA-N 1 0 374.441 2.175 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000112921556 543468878 /nfs/dbraw/zinc/46/88/78/543468878.db2.gz BHJIMYIFYFYQID-CMDGGOBGSA-N 1 0 360.458 2.092 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000113301248 543483038 /nfs/dbraw/zinc/48/30/38/543483038.db2.gz HAUJUDYYFSAKJB-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000115876325 543592032 /nfs/dbraw/zinc/59/20/32/543592032.db2.gz PPHMCCMRRGDDDS-VIFPVBQESA-N 1 0 371.340 2.171 20 5 FEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1 ZINC000116056694 543596433 /nfs/dbraw/zinc/59/64/33/543596433.db2.gz VBLNUBZXDNYDTO-UHFFFAOYSA-N 1 0 359.430 2.258 20 5 FEBDRO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119429340 543667156 /nfs/dbraw/zinc/66/71/56/543667156.db2.gz XOOAAKRTAOADQD-BBRMVZONSA-N 1 0 361.446 2.002 20 5 FEBDRO COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c([N+](=O)[O-])c1 ZINC000124145625 543803364 /nfs/dbraw/zinc/80/33/64/543803364.db2.gz LIUUANOCGMTESS-GOSISDBHSA-N 1 0 371.393 2.443 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000124729223 543839412 /nfs/dbraw/zinc/83/94/12/543839412.db2.gz HBYVQWUDUHGCFU-ZDUSSCGKSA-N 1 0 373.500 2.461 20 5 FEBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000125479715 543883753 /nfs/dbraw/zinc/88/37/53/543883753.db2.gz PXFZXNKLTNEPBO-HIFRSBDPSA-N 1 0 371.397 2.135 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125680880 543895518 /nfs/dbraw/zinc/89/55/18/543895518.db2.gz JUJJCHLFSPWSGJ-PBHICJAKSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132382826 544229113 /nfs/dbraw/zinc/22/91/13/544229113.db2.gz UTXQLSGXZMHJNQ-IBGZPJMESA-N 1 0 355.394 2.265 20 5 FEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000132781807 544243712 /nfs/dbraw/zinc/24/37/12/544243712.db2.gz BJTZXUSIUSWNFM-UHFFFAOYSA-N 1 0 374.445 2.133 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000133267758 544262630 /nfs/dbraw/zinc/26/26/30/544262630.db2.gz JDBRXUIJYHHYKJ-JTQLQIEISA-N 1 0 361.320 2.360 20 5 FEBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000134512834 544311073 /nfs/dbraw/zinc/31/10/73/544311073.db2.gz GKKSFRYCMWTDLL-HNNXBMFYSA-N 1 0 357.414 2.096 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000135986284 544364795 /nfs/dbraw/zinc/36/47/95/544364795.db2.gz FJZAXBFSJGFGEY-ZDUSSCGKSA-N 1 0 357.414 2.480 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000146234063 544438285 /nfs/dbraw/zinc/43/82/85/544438285.db2.gz RCXVHEPJEOYXES-CYBMUJFWSA-N 1 0 373.862 2.497 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000150779545 544470349 /nfs/dbraw/zinc/47/03/49/544470349.db2.gz IFABXNWZYHFFMI-DZGCQCFKSA-N 1 0 363.414 2.236 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000153007434 544722177 /nfs/dbraw/zinc/72/21/77/544722177.db2.gz VNXWVFLTRSDQJI-STQMWFEESA-N 1 0 351.403 2.167 20 5 FEBDRO Cn1cc(C[NH2+]CCCO[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153102441 544733795 /nfs/dbraw/zinc/73/37/95/544733795.db2.gz WJHRVPGFQZOTBQ-QGZVFWFLSA-N 1 0 360.414 2.281 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152856687 544702914 /nfs/dbraw/zinc/70/29/14/544702914.db2.gz TYLAHUYKCMSXAD-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000152884379 544706609 /nfs/dbraw/zinc/70/66/09/544706609.db2.gz HGGGPXOKZYKHJK-YPMHNXCESA-N 1 0 373.862 2.353 20 5 FEBDRO C[C@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775884 544821424 /nfs/dbraw/zinc/82/14/24/544821424.db2.gz JFTYSUBUCHXPEC-LNMJFAINSA-N 1 0 363.458 2.202 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000154819166 544954056 /nfs/dbraw/zinc/95/40/56/544954056.db2.gz XQAGWCQBORZKFG-GOSISDBHSA-N 1 0 357.414 2.113 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000155090873 544987584 /nfs/dbraw/zinc/98/75/84/544987584.db2.gz VNHLXZZAOWIAMJ-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO CC(C)[NH+](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000178934586 327617158 /nfs/dbraw/zinc/61/71/58/327617158.db2.gz KTPDTZSAIULVKT-UHFFFAOYSA-N 1 0 357.476 2.176 20 5 FEBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000181118922 327716864 /nfs/dbraw/zinc/71/68/64/327716864.db2.gz APOCMVGKRMOOBC-UHFFFAOYSA-N 1 0 361.489 2.196 20 5 FEBDRO Nc1c(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000186608404 327970524 /nfs/dbraw/zinc/97/05/24/327970524.db2.gz KTKVHRQUBBRZQL-HNNXBMFYSA-N 1 0 369.425 2.357 20 5 FEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187153597 328005489 /nfs/dbraw/zinc/00/54/89/328005489.db2.gz LAEZWNIQGHEOFA-OAHLLOKOSA-N 1 0 370.409 2.290 20 5 FEBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187587921 328034813 /nfs/dbraw/zinc/03/48/13/328034813.db2.gz AFQWGLJLISUYKV-SFHVURJKSA-N 1 0 365.430 2.417 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000188033122 328061837 /nfs/dbraw/zinc/06/18/37/328061837.db2.gz WHZBBFHXBHPOCJ-SJKOYZFVSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000188228266 328074665 /nfs/dbraw/zinc/07/46/65/328074665.db2.gz ZOYXHHVRZOJCHP-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000188681089 328103989 /nfs/dbraw/zinc/10/39/89/328103989.db2.gz MNEISASVNBDCTL-STQMWFEESA-N 1 0 367.421 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1C ZINC000189213734 328135127 /nfs/dbraw/zinc/13/51/27/328135127.db2.gz GROYGHIPGDFKGX-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000189709427 328163515 /nfs/dbraw/zinc/16/35/15/328163515.db2.gz XTPXQFJHGHSBBD-UHFFFAOYSA-N 1 0 353.444 2.285 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000189937652 328177335 /nfs/dbraw/zinc/17/73/35/328177335.db2.gz PHLNRSWCSKSSCN-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000189973047 328179816 /nfs/dbraw/zinc/17/98/16/328179816.db2.gz QLDLHHZEIHRUFF-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000190001175 328181617 /nfs/dbraw/zinc/18/16/17/328181617.db2.gz LBVZUJSAGGGGCV-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190286362 328198295 /nfs/dbraw/zinc/19/82/95/328198295.db2.gz JHABVGWLWVYSBM-UHFFFAOYSA-N 1 0 355.460 2.089 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191257333 328256899 /nfs/dbraw/zinc/25/68/99/328256899.db2.gz ASYRGLOQASMEGZ-SUMWQHHRSA-N 1 0 370.409 2.341 20 5 FEBDRO COc1cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000191641995 328275399 /nfs/dbraw/zinc/27/53/99/328275399.db2.gz ZOZOCQCWQRQMHX-BETUJISGSA-N 1 0 365.430 2.141 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191802586 328282711 /nfs/dbraw/zinc/28/27/11/328282711.db2.gz DLDLHUNEDZDKHZ-UKRRQHHQSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000191889601 328286954 /nfs/dbraw/zinc/28/69/54/328286954.db2.gz JQKXKXPYWPDQLI-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO COC(=O)[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000192386852 328317180 /nfs/dbraw/zinc/31/71/80/328317180.db2.gz IXWKMOODCBGNGL-NSHDSACASA-N 1 0 367.377 2.479 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000192459059 328319953 /nfs/dbraw/zinc/31/99/53/328319953.db2.gz ZFBCKMKUNMRKQB-KRWDZBQOSA-N 1 0 369.421 2.400 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000192763362 328338469 /nfs/dbraw/zinc/33/84/69/328338469.db2.gz VBMODQFLIKZASS-OAHLLOKOSA-N 1 0 365.411 2.133 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000193299616 328367591 /nfs/dbraw/zinc/36/75/91/328367591.db2.gz ZOJBBFOTCRWIPI-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193569476 328382354 /nfs/dbraw/zinc/38/23/54/328382354.db2.gz ASDGXOIRCKWWFL-HNNXBMFYSA-N 1 0 362.430 2.470 20 5 FEBDRO Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000193629210 328386547 /nfs/dbraw/zinc/38/65/47/328386547.db2.gz CSBDSGITBFSVMN-KRWDZBQOSA-N 1 0 363.462 2.297 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000193691980 328389782 /nfs/dbraw/zinc/38/97/82/328389782.db2.gz FSMALCGSHACQAR-SWLSCSKDSA-N 1 0 356.382 2.088 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000195226000 328462945 /nfs/dbraw/zinc/46/29/45/328462945.db2.gz KJGZMQYBJWCGJZ-LJQANCHMSA-N 1 0 370.409 2.222 20 5 FEBDRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000032245254 324474087 /nfs/dbraw/zinc/47/40/87/324474087.db2.gz NANFDOSLJNPPCP-UHFFFAOYSA-N 1 0 374.445 2.333 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000052877848 324725217 /nfs/dbraw/zinc/72/52/17/324725217.db2.gz OLRFMWIUEPSMQC-CYBMUJFWSA-N 1 0 351.432 2.052 20 5 FEBDRO CC1(C)CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000236630804 328490357 /nfs/dbraw/zinc/49/03/57/328490357.db2.gz XWTUAXRGZOTWOP-UHFFFAOYSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237215436 328508720 /nfs/dbraw/zinc/50/87/20/328508720.db2.gz DIKGACBETHNMBN-CYBMUJFWSA-N 1 0 367.471 2.343 20 5 FEBDRO CSC[C@H](CCO)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000077462146 324991355 /nfs/dbraw/zinc/99/13/55/324991355.db2.gz VSBCSGBRJDGPDS-AWEZNQCLSA-N 1 0 350.444 2.199 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000077667515 325004148 /nfs/dbraw/zinc/00/41/48/325004148.db2.gz JOCNKHAGUONGIU-LLVKDONJSA-N 1 0 350.375 2.273 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000077766708 325013921 /nfs/dbraw/zinc/01/39/21/325013921.db2.gz MAPWXDBETNHFDH-QGZVFWFLSA-N 1 0 370.409 2.261 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000237294127 328511396 /nfs/dbraw/zinc/51/13/96/328511396.db2.gz LLWBWKHFOWQMHX-CQSZACIVSA-N 1 0 367.471 2.295 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000078457141 325046499 /nfs/dbraw/zinc/04/64/99/325046499.db2.gz WYWYKMOMCCGFDA-GFCCVEGCSA-N 1 0 368.821 2.434 20 5 FEBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000079068439 325074686 /nfs/dbraw/zinc/07/46/86/325074686.db2.gz BGCVNUMCISUTRI-UHFFFAOYSA-N 1 0 355.460 2.480 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000079807302 325105455 /nfs/dbraw/zinc/10/54/55/325105455.db2.gz RQQIHNAPXHURKI-UHFFFAOYSA-N 1 0 360.418 2.410 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000083027284 325210666 /nfs/dbraw/zinc/21/06/66/325210666.db2.gz SUAFACJYFXPYOI-BETUJISGSA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1c(C(=O)NCC2([NH3+])CCCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237780428 328528458 /nfs/dbraw/zinc/52/84/58/328528458.db2.gz IYTCTESOWLDQLM-UHFFFAOYSA-N 1 0 372.429 2.265 20 5 FEBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237843061 328530859 /nfs/dbraw/zinc/53/08/59/328530859.db2.gz BRCGMXDIVNRLBK-MRXNPFEDSA-N 1 0 372.429 2.121 20 5 FEBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090231702 325356901 /nfs/dbraw/zinc/35/69/01/325356901.db2.gz HZDJQZNRGXHGHJ-LBPRGKRZSA-N 1 0 353.444 2.202 20 5 FEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000092693891 325422906 /nfs/dbraw/zinc/42/29/06/325422906.db2.gz HPQFTZDDUFZPKO-UHFFFAOYSA-N 1 0 372.429 2.102 20 5 FEBDRO [NH3+]CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000238017525 328537971 /nfs/dbraw/zinc/53/79/71/328537971.db2.gz RNZPKZZNOWFDFG-UHFFFAOYSA-N 1 0 356.220 2.288 20 5 FEBDRO Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106364097 325595064 /nfs/dbraw/zinc/59/50/64/325595064.db2.gz XSESOEDERAWZCS-HNNXBMFYSA-N 1 0 357.414 2.162 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000109258613 325662940 /nfs/dbraw/zinc/66/29/40/325662940.db2.gz QKNOTSSQQLDTNN-UHFFFAOYSA-N 1 0 363.414 2.165 20 5 FEBDRO C[C@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000112548080 325789626 /nfs/dbraw/zinc/78/96/26/325789626.db2.gz HSYOPAVHSMKYLK-JTQLQIEISA-N 1 0 371.319 2.427 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C)CC2)cc1OC ZINC000116514676 326019984 /nfs/dbraw/zinc/01/99/84/326019984.db2.gz PAQSYUSLSPZSTN-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1nn(CCC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652636 326028551 /nfs/dbraw/zinc/02/85/51/326028551.db2.gz QXIJPPAOSKYCJS-CQSZACIVSA-N 1 0 365.478 2.427 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116756839 326032085 /nfs/dbraw/zinc/03/20/85/326032085.db2.gz UHVGKUYOKLBNBM-GFCCVEGCSA-N 1 0 355.822 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000118000394 326076692 /nfs/dbraw/zinc/07/66/92/326076692.db2.gz QUVYHMDEKCPURO-UHFFFAOYSA-N 1 0 352.866 2.462 20 5 FEBDRO Cc1c(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000118793002 326102383 /nfs/dbraw/zinc/10/23/83/326102383.db2.gz ZXRGHHQSIZNWQP-OAHLLOKOSA-N 1 0 362.430 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000118829095 326105779 /nfs/dbraw/zinc/10/57/79/326105779.db2.gz OTSNLPIIIFCERF-HNNXBMFYSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000118896117 326111132 /nfs/dbraw/zinc/11/11/32/326111132.db2.gz RAYSONHCEBIGBG-CYBMUJFWSA-N 1 0 362.430 2.080 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000120062789 326227071 /nfs/dbraw/zinc/22/70/71/326227071.db2.gz SNDQVZDEWPDRRF-ZIAGYGMSSA-N 1 0 367.421 2.282 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120349895 326251900 /nfs/dbraw/zinc/25/19/00/326251900.db2.gz LGYHHCTVWAPPSO-JLZZUVOBSA-N 1 0 363.414 2.287 20 5 FEBDRO Cc1cnccc1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000120732329 326282898 /nfs/dbraw/zinc/28/28/98/326282898.db2.gz HDAWUSJHQFYODB-UHFFFAOYSA-N 1 0 351.366 2.456 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000120831084 326291569 /nfs/dbraw/zinc/29/15/69/326291569.db2.gz KTVBOWBGRSFIRD-UHFFFAOYSA-N 1 0 364.446 2.385 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120844182 326293107 /nfs/dbraw/zinc/29/31/07/326293107.db2.gz ZRCGOKBFTPLFMP-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121055852 326309828 /nfs/dbraw/zinc/30/98/28/326309828.db2.gz AJBXVDKDKQFQNF-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000121862878 326372485 /nfs/dbraw/zinc/37/24/85/326372485.db2.gz IDSSBKOVZHSHLK-ZDUSSCGKSA-N 1 0 362.430 2.080 20 5 FEBDRO O=C(CC[NH+]1CCN(Cc2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000125285553 326468889 /nfs/dbraw/zinc/46/88/89/326468889.db2.gz SKHIWAQLNZETKQ-UHFFFAOYSA-N 1 0 369.425 2.136 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000127895198 326514416 /nfs/dbraw/zinc/51/44/16/326514416.db2.gz UJYBYMQGVCCVAK-UKRRQHHQSA-N 1 0 363.414 2.093 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000136882128 326656233 /nfs/dbraw/zinc/65/62/33/326656233.db2.gz OLKZCAAGZKXJNL-HXUWFJFHSA-N 1 0 355.438 2.489 20 5 FEBDRO O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000151448394 326682684 /nfs/dbraw/zinc/68/26/84/326682684.db2.gz XQHBZVZDFSATGL-NSHDSACASA-N 1 0 359.338 2.349 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000153954306 326747255 /nfs/dbraw/zinc/74/72/55/326747255.db2.gz CDPJJZQUDGPKBH-HNNXBMFYSA-N 1 0 357.476 2.381 20 5 FEBDRO COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000162921923 327037833 /nfs/dbraw/zinc/03/78/33/327037833.db2.gz UPPASLJSRHNWSZ-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO CCCN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163264482 327047267 /nfs/dbraw/zinc/04/72/67/327047267.db2.gz FTQLFSWLMVLTPQ-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171619091 327148638 /nfs/dbraw/zinc/14/86/38/327148638.db2.gz LADRVRJQHCENQR-AWEZNQCLSA-N 1 0 357.414 2.391 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000172485171 327203677 /nfs/dbraw/zinc/20/36/77/327203677.db2.gz AUMPGGCGFNOZAS-NVXWUHKLSA-N 1 0 371.441 2.303 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544502 327207342 /nfs/dbraw/zinc/20/73/42/327207342.db2.gz FVUDVBKCUPNPEF-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)(C)C[NH+](C)C ZINC000173057410 327232860 /nfs/dbraw/zinc/23/28/60/327232860.db2.gz LPCKPVDFRWBLNQ-ZDUSSCGKSA-N 1 0 359.430 2.487 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000173328979 327250219 /nfs/dbraw/zinc/25/02/19/327250219.db2.gz CPPSYLAINZTCOT-HNNXBMFYSA-N 1 0 350.806 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000173867504 327290243 /nfs/dbraw/zinc/29/02/43/327290243.db2.gz OFKPAJSQGNECCL-INIZCTEOSA-N 1 0 367.471 2.279 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173952923 327297171 /nfs/dbraw/zinc/29/71/71/327297171.db2.gz KOYQRWUYNWYQSZ-LBPRGKRZSA-N 1 0 359.423 2.086 20 5 FEBDRO CCc1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000174231675 327314519 /nfs/dbraw/zinc/31/45/19/327314519.db2.gz YVUXJBZYZYNWCP-UHFFFAOYSA-N 1 0 362.474 2.161 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175080508 327372815 /nfs/dbraw/zinc/37/28/15/327372815.db2.gz RXHFSKALRRKYQG-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000175202130 327379400 /nfs/dbraw/zinc/37/94/00/327379400.db2.gz RQNVPRDOHHEACT-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000175272186 327383742 /nfs/dbraw/zinc/38/37/42/327383742.db2.gz JJJUPJPBRLOUFI-HIFRSBDPSA-N 1 0 370.409 2.478 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175394248 327390555 /nfs/dbraw/zinc/39/05/55/327390555.db2.gz PYYFOHJSOHFOLZ-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175938161 327423017 /nfs/dbraw/zinc/42/30/17/327423017.db2.gz KYDXGCZGNDHUAC-KBPBESRZSA-N 1 0 350.419 2.275 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000255382631 328801391 /nfs/dbraw/zinc/80/13/91/328801391.db2.gz VAUFXJYBRKQMAE-UTCJRWHESA-N 1 0 367.452 2.238 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261629767 328806696 /nfs/dbraw/zinc/80/66/96/328806696.db2.gz HLTMTJICAWGNMV-KKFJDGPESA-N 1 0 356.220 2.474 20 5 FEBDRO NC(=O)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000261717782 328814404 /nfs/dbraw/zinc/81/44/04/328814404.db2.gz NAOYACFGRQBJAB-QGZVFWFLSA-N 1 0 374.828 2.494 20 5 FEBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCC2C[NH2+]C2)cc1 ZINC000262056937 328838644 /nfs/dbraw/zinc/83/86/44/328838644.db2.gz XNKLWPAGZFUZKA-UHFFFAOYSA-N 1 0 357.366 2.345 20 5 FEBDRO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000264381640 329016307 /nfs/dbraw/zinc/01/63/07/329016307.db2.gz FNCLBTCEKYBYBB-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264623397 329041730 /nfs/dbraw/zinc/04/17/30/329041730.db2.gz RZSYYFWGGPPPAT-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000265194103 329101004 /nfs/dbraw/zinc/10/10/04/329101004.db2.gz IAZHUMKXXVAPAD-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265511072 329134735 /nfs/dbraw/zinc/13/47/35/329134735.db2.gz KHQKQBQUASPSAY-UHFFFAOYSA-N 1 0 372.425 2.261 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000265623065 329144040 /nfs/dbraw/zinc/14/40/40/329144040.db2.gz YHIIHCWTOBLOEA-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1OC ZINC000266118539 329191778 /nfs/dbraw/zinc/19/17/78/329191778.db2.gz XYQUWPSWHOPTIA-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266304023 329209578 /nfs/dbraw/zinc/20/95/78/329209578.db2.gz KNSOIHPUHZIFAR-CYBMUJFWSA-N 1 0 351.403 2.168 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000266318893 329210977 /nfs/dbraw/zinc/21/09/77/329210977.db2.gz RWIOOOCTOZBVFN-CYBMUJFWSA-N 1 0 363.414 2.170 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@@H]1[NH3+] ZINC000269234910 329499084 /nfs/dbraw/zinc/49/90/84/329499084.db2.gz BGXCXYJWVSMTBT-XVKPBYJWSA-N 1 0 360.183 2.306 20 5 FEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1[NH+](C)C ZINC000271584837 329705368 /nfs/dbraw/zinc/70/53/68/329705368.db2.gz FIIKBQDNGXIMPT-GJZGRUSLSA-N 1 0 366.443 2.033 20 5 FEBDRO O=C(C[NH2+][C@H](CCO)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000271734459 329720462 /nfs/dbraw/zinc/72/04/62/329720462.db2.gz ZAQMISWBUZMIFP-QGZVFWFLSA-N 1 0 355.394 2.197 20 5 FEBDRO COCc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272901145 329822410 /nfs/dbraw/zinc/82/24/10/329822410.db2.gz DEKYFAPEKGGXPO-UHFFFAOYSA-N 1 0 364.423 2.305 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000273499185 329869627 /nfs/dbraw/zinc/86/96/27/329869627.db2.gz YHSMZCOHBFPDIA-GDPRMGEGSA-N 1 0 371.340 2.014 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275461982 330051480 /nfs/dbraw/zinc/05/14/80/330051480.db2.gz NLVWRUUSZCXOAU-OAHLLOKOSA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853169 330096564 /nfs/dbraw/zinc/09/65/64/330096564.db2.gz SCQJYSLQMWQNPX-KGLIPLIRSA-N 1 0 364.446 2.142 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275902353 330101769 /nfs/dbraw/zinc/10/17/69/330101769.db2.gz RCVQVFAQVKXCQV-ZDUSSCGKSA-N 1 0 362.430 2.030 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276350913 330143984 /nfs/dbraw/zinc/14/39/84/330143984.db2.gz ULLBUZKONBNFEO-ZDUSSCGKSA-N 1 0 355.460 2.388 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000276410135 330149383 /nfs/dbraw/zinc/14/93/83/330149383.db2.gz AUKUWONRHMNJHE-MRXNPFEDSA-N 1 0 355.442 2.359 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000294217035 330193717 /nfs/dbraw/zinc/19/37/17/330193717.db2.gz VYSJSYJILWADNO-UHFFFAOYSA-N 1 0 372.429 2.205 20 5 FEBDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000367082451 330215162 /nfs/dbraw/zinc/21/51/62/330215162.db2.gz WMBJRCVYPDTTBA-UHFFFAOYSA-N 1 0 355.394 2.060 20 5 FEBDRO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786743 330251492 /nfs/dbraw/zinc/25/14/92/330251492.db2.gz FKYDSGAAOKOQLG-WBVHZDCISA-N 1 0 363.414 2.464 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426249405 330271989 /nfs/dbraw/zinc/27/19/89/330271989.db2.gz FNAWMMXNUWFYED-UHFFFAOYSA-N 1 0 373.356 2.024 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000554800143 674336898 /nfs/dbraw/zinc/33/68/98/674336898.db2.gz CMKJZSGBRMHTQD-CYBMUJFWSA-N 1 0 352.410 2.101 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155556449 545542388 /nfs/dbraw/zinc/54/23/88/545542388.db2.gz KCXDKUOWERRCOQ-CZUORRHYSA-N 1 0 363.414 2.433 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000155731636 545562723 /nfs/dbraw/zinc/56/27/23/545562723.db2.gz XWFPKTIFYCGGLM-INIZCTEOSA-N 1 0 358.398 2.074 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]1c1nncn1C ZINC000156656839 545643446 /nfs/dbraw/zinc/64/34/46/545643446.db2.gz HADXOLZJOPEZDL-OAHLLOKOSA-N 1 0 358.402 2.197 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000157721672 545773623 /nfs/dbraw/zinc/77/36/23/545773623.db2.gz BNJSNFRNZCYPOD-CYBMUJFWSA-N 1 0 360.414 2.230 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@@H]21 ZINC000157733352 545774822 /nfs/dbraw/zinc/77/48/22/545774822.db2.gz QHOLFAHWTXMJHR-ZBFHGGJFSA-N 1 0 369.425 2.337 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000158643934 545880568 /nfs/dbraw/zinc/88/05/68/545880568.db2.gz RSSQIQFXOVQRNQ-ZDUSSCGKSA-N 1 0 353.444 2.232 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000159042158 545917049 /nfs/dbraw/zinc/91/70/49/545917049.db2.gz SRZCPTGXRZDKRA-CQSZACIVSA-N 1 0 356.382 2.090 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159654398 545970468 /nfs/dbraw/zinc/97/04/68/545970468.db2.gz CFADPZRDPCIKON-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000478727825 561173678 /nfs/dbraw/zinc/17/36/78/561173678.db2.gz VWQJMPUMLOYMST-INIZCTEOSA-N 1 0 370.409 2.007 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000478879717 561176798 /nfs/dbraw/zinc/17/67/98/561176798.db2.gz ATNYQVNAIIRUJF-UHFFFAOYSA-N 1 0 364.446 2.203 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000161343282 546120984 /nfs/dbraw/zinc/12/09/84/546120984.db2.gz PSWKULZINIHVCJ-DLBZAZTESA-N 1 0 371.441 2.456 20 5 FEBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000161376150 546124391 /nfs/dbraw/zinc/12/43/91/546124391.db2.gz XJGKTWBYFKIJCS-SFHVURJKSA-N 1 0 374.416 2.435 20 5 FEBDRO O=C(NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)c1ccoc1 ZINC000166624879 546157457 /nfs/dbraw/zinc/15/74/57/546157457.db2.gz LWUONDUYSOCYCS-UHFFFAOYSA-N 1 0 359.382 2.461 20 5 FEBDRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CCCCCC1 ZINC000173683500 546285779 /nfs/dbraw/zinc/28/57/79/546285779.db2.gz YGYMLBXZSLVTKL-GJZGRUSLSA-N 1 0 361.446 2.267 20 5 FEBDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000176244861 546424053 /nfs/dbraw/zinc/42/40/53/546424053.db2.gz SHAHQJOVOQTMMK-INIZCTEOSA-N 1 0 355.439 2.320 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176695929 546477092 /nfs/dbraw/zinc/47/70/92/546477092.db2.gz ZASNQLJFYYHVES-GASCZTMLSA-N 1 0 364.446 2.012 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1C1CC1 ZINC000177095910 546543662 /nfs/dbraw/zinc/54/36/62/546543662.db2.gz KUSLEMWKRRGWPP-STQMWFEESA-N 1 0 355.398 2.136 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177345846 546597577 /nfs/dbraw/zinc/59/75/77/546597577.db2.gz XJSFEXIRMSJMQC-KGLIPLIRSA-N 1 0 362.430 2.101 20 5 FEBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000177448068 546620456 /nfs/dbraw/zinc/62/04/56/546620456.db2.gz YFVMYRZYNKVFKG-UHFFFAOYSA-N 1 0 361.851 2.104 20 5 FEBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425760 561232614 /nfs/dbraw/zinc/23/26/14/561232614.db2.gz LOXZHQJGEMZMJQ-GHJWDPDVSA-N 1 0 368.821 2.171 20 5 FEBDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004980 547037695 /nfs/dbraw/zinc/03/76/95/547037695.db2.gz HXFFOEMQQZTXNV-FZMZJTMJSA-N 1 0 359.386 2.252 20 5 FEBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482645619 561257398 /nfs/dbraw/zinc/25/73/98/561257398.db2.gz XEDBYJPFNXGASN-MRXNPFEDSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417508 547105803 /nfs/dbraw/zinc/10/58/03/547105803.db2.gz KGCXYQFJMJAYJR-ZDUSSCGKSA-N 1 0 356.382 2.271 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(c2cc[nH+]cc2OC)CC1 ZINC000483212821 561270661 /nfs/dbraw/zinc/27/06/61/561270661.db2.gz SPRXQEYDBUKXBQ-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000181282676 547286500 /nfs/dbraw/zinc/28/65/00/547286500.db2.gz ULKUSJDSVZTXDG-UHFFFAOYSA-N 1 0 370.247 2.406 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CCC1CCCCC1 ZINC000483317226 561274061 /nfs/dbraw/zinc/27/40/61/561274061.db2.gz XRIOSEBREJWYGH-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181635116 547349300 /nfs/dbraw/zinc/34/93/00/547349300.db2.gz APYJIUSOHIDRDM-FZMZJTMJSA-N 1 0 370.452 2.142 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000483426550 561276853 /nfs/dbraw/zinc/27/68/53/561276853.db2.gz ODSOVYNDQMGTBF-LBPRGKRZSA-N 1 0 354.428 2.474 20 5 FEBDRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000181821096 547386797 /nfs/dbraw/zinc/38/67/97/547386797.db2.gz FMCJXQYGHGEXCE-PLQHRBFRSA-N 1 0 365.430 2.258 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cc1[N+](=O)[O-] ZINC000181823367 547386831 /nfs/dbraw/zinc/38/68/31/547386831.db2.gz HXRSDSUUPZKIAU-ZDUSSCGKSA-N 1 0 360.414 2.418 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181943698 547409600 /nfs/dbraw/zinc/40/96/00/547409600.db2.gz GHOHJPUQQQFIJO-OAHLLOKOSA-N 1 0 369.487 2.032 20 5 FEBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021719 547423282 /nfs/dbraw/zinc/42/32/82/547423282.db2.gz ZJQTVGIYYOCFBQ-WBMJQRKESA-N 1 0 362.430 2.336 20 5 FEBDRO CCCC[N@H+](CCCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000182145421 547444783 /nfs/dbraw/zinc/44/47/83/547444783.db2.gz HCZRVWDRRFGPDP-ZDUSSCGKSA-N 1 0 353.419 2.415 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000182230696 547456915 /nfs/dbraw/zinc/45/69/15/547456915.db2.gz KQBFJYPSDWHLBR-ZDUSSCGKSA-N 1 0 363.414 2.376 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000182432116 547491441 /nfs/dbraw/zinc/49/14/41/547491441.db2.gz RKXXSFOMKAMSHO-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182681763 547531796 /nfs/dbraw/zinc/53/17/96/547531796.db2.gz UYJJWDSANGZZHR-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767643 547550112 /nfs/dbraw/zinc/55/01/12/547550112.db2.gz RMSLLGSAWSDGAD-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182981491 547582940 /nfs/dbraw/zinc/58/29/40/547582940.db2.gz LYEQXSQICALDAI-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO CCCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000183027116 547589773 /nfs/dbraw/zinc/58/97/73/547589773.db2.gz ALYXBLWPHAOGFS-UHFFFAOYSA-N 1 0 350.419 2.209 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209756 547621186 /nfs/dbraw/zinc/62/11/86/547621186.db2.gz QGQVEBGJXLYEPU-KSSFIOAISA-N 1 0 374.441 2.278 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH2+]CC2)cc1SC ZINC000183383243 547648194 /nfs/dbraw/zinc/64/81/94/547648194.db2.gz VJCCINZEVLUFRC-UHFFFAOYSA-N 1 0 353.444 2.445 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183390314 547649083 /nfs/dbraw/zinc/64/90/83/547649083.db2.gz VNIKPSNEZCGREN-WDEREUQCSA-N 1 0 361.402 2.323 20 5 FEBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000183782412 547718261 /nfs/dbraw/zinc/71/82/61/547718261.db2.gz CZZPNUFCZWWGCJ-KRWDZBQOSA-N 1 0 369.421 2.400 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000484880121 561307692 /nfs/dbraw/zinc/30/76/92/561307692.db2.gz WZKDAQLBIDVLSG-PMPSAXMXSA-N 1 0 352.431 2.472 20 5 FEBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000484902779 561308264 /nfs/dbraw/zinc/30/82/64/561308264.db2.gz CBHKGVBMJNVROR-UHFFFAOYSA-N 1 0 352.460 2.404 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000184403652 547821986 /nfs/dbraw/zinc/82/19/86/547821986.db2.gz MFKRSJGESUYVGQ-MRXNPFEDSA-N 1 0 367.471 2.375 20 5 FEBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c2)CC1 ZINC000184508962 547838873 /nfs/dbraw/zinc/83/88/73/547838873.db2.gz DRSDRHDCZICUAW-UHFFFAOYSA-N 1 0 371.397 2.090 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184520985 547840249 /nfs/dbraw/zinc/84/02/49/547840249.db2.gz JMWNSDODTHDMPC-KBPBESRZSA-N 1 0 361.446 2.299 20 5 FEBDRO COc1cccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000185169353 547945554 /nfs/dbraw/zinc/94/55/54/547945554.db2.gz OLTYFLKRMFHTMT-MRXNPFEDSA-N 1 0 357.410 2.435 20 5 FEBDRO C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713778 548024093 /nfs/dbraw/zinc/02/40/93/548024093.db2.gz CGMHOIPNDCUPHO-CJNGLKHVSA-N 1 0 360.458 2.436 20 5 FEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185815642 548040109 /nfs/dbraw/zinc/04/01/09/548040109.db2.gz KOGLLNIDDNZBAA-UHFFFAOYSA-N 1 0 366.443 2.153 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000185876785 548048724 /nfs/dbraw/zinc/04/87/24/548048724.db2.gz DVWXUCDDXDPUJJ-UHFFFAOYSA-N 1 0 355.398 2.463 20 5 FEBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186305642 548115951 /nfs/dbraw/zinc/11/59/51/548115951.db2.gz PQYZNQICHCUWAR-UHFFFAOYSA-N 1 0 355.398 2.018 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCCCS(C)(=O)=O ZINC000186856288 548206763 /nfs/dbraw/zinc/20/67/63/548206763.db2.gz JQMNUJWADHQWDI-ZDUSSCGKSA-N 1 0 371.459 2.116 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186956600 548227805 /nfs/dbraw/zinc/22/78/05/548227805.db2.gz HOVFOXKHJKURMI-ATGUSINASA-N 1 0 361.442 2.302 20 5 FEBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000194473695 548487633 /nfs/dbraw/zinc/48/76/33/548487633.db2.gz FKKFUYJEAIOHKN-ZDUSSCGKSA-N 1 0 364.402 2.094 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865284 561358457 /nfs/dbraw/zinc/35/84/57/561358457.db2.gz HDHGCXZEAVMGQU-YPMHNXCESA-N 1 0 364.402 2.294 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865010 561358527 /nfs/dbraw/zinc/35/85/27/561358527.db2.gz HDHGCXZEAVMGQU-AAEUAGOBSA-N 1 0 364.402 2.294 20 5 FEBDRO C[C@@H](Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])C1CC1 ZINC000195330378 548625707 /nfs/dbraw/zinc/62/57/07/548625707.db2.gz QUYFRUYGNFBPPR-GFCCVEGCSA-N 1 0 370.475 2.035 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000236767415 548779019 /nfs/dbraw/zinc/77/90/19/548779019.db2.gz OWHDQPDJKMVAHK-ZDUSSCGKSA-N 1 0 351.403 2.221 20 5 FEBDRO CCOc1cc(C(=O)N2CCC(C[NH2+]C)CC2)c([N+](=O)[O-])cc1OC ZINC000236882738 548786088 /nfs/dbraw/zinc/78/60/88/548786088.db2.gz IEMAFNYCKHYPFO-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000236982522 548792926 /nfs/dbraw/zinc/79/29/26/548792926.db2.gz XFLIZAASVWBQCN-UHFFFAOYSA-N 1 0 367.471 2.310 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237214659 548808860 /nfs/dbraw/zinc/80/88/60/548808860.db2.gz OYSWGMNBVRRDAI-TZMCWYRMSA-N 1 0 367.471 2.422 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]CC3(O)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000237425203 548824928 /nfs/dbraw/zinc/82/49/28/548824928.db2.gz YGNKOZSUBDFJNE-UHFFFAOYSA-N 1 0 362.382 2.495 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053174 561382326 /nfs/dbraw/zinc/38/23/26/561382326.db2.gz DCQKOZGTLIYPOU-HNNXBMFYSA-N 1 0 357.458 2.250 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246705178 549192661 /nfs/dbraw/zinc/19/26/61/549192661.db2.gz ZNJPWGVKOZQXKQ-DOMZBBRYSA-N 1 0 355.460 2.118 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000247132149 549288823 /nfs/dbraw/zinc/28/88/23/549288823.db2.gz ASTXOAVSQOWLIL-RDTXWAMCSA-N 1 0 369.425 2.337 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247245324 549305727 /nfs/dbraw/zinc/30/57/27/549305727.db2.gz ZEMJDCRQXPOKIC-WCQYABFASA-N 1 0 373.862 2.353 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248453443 549441454 /nfs/dbraw/zinc/44/14/54/549441454.db2.gz JZVJNGZNTWDYTE-WMLDXEAASA-N 1 0 369.487 2.031 20 5 FEBDRO C[C@H](O)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000249089735 549550098 /nfs/dbraw/zinc/55/00/98/549550098.db2.gz KDGOKDYYQAKLNN-RYUDHWBXSA-N 1 0 363.439 2.337 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000249203299 549568486 /nfs/dbraw/zinc/56/84/86/549568486.db2.gz ANLXBUBTRLRTAK-GJZGRUSLSA-N 1 0 374.441 2.179 20 5 FEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000249383885 549586045 /nfs/dbraw/zinc/58/60/45/549586045.db2.gz PKWSAYDSQYPTGG-QWHCGFSZSA-N 1 0 367.421 2.141 20 5 FEBDRO COc1ccc(NC(=O)CN(CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000489825531 561419903 /nfs/dbraw/zinc/41/99/03/561419903.db2.gz MPULKLBKDAFPJU-UHFFFAOYSA-N 1 0 364.446 2.383 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCN([C@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000490028306 561424709 /nfs/dbraw/zinc/42/47/09/561424709.db2.gz GXGVFRLGIBFKMB-KRWDZBQOSA-N 1 0 373.482 2.198 20 5 FEBDRO COCC1(CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261775922 549754263 /nfs/dbraw/zinc/75/42/63/549754263.db2.gz RZKFAGAJECLTTC-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000261781896 549754846 /nfs/dbraw/zinc/75/48/46/549754846.db2.gz RWRUGFHIBHWTFI-MNOVXSKESA-N 1 0 359.835 2.072 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261931202 549771124 /nfs/dbraw/zinc/77/11/24/549771124.db2.gz JPZNAPGYIJDHLH-DOPJRALCSA-N 1 0 354.410 2.349 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000262019624 549780413 /nfs/dbraw/zinc/78/04/13/549780413.db2.gz ILBNZTWCMUXOQU-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262392168 549816630 /nfs/dbraw/zinc/81/66/30/549816630.db2.gz OIMSOUIDUQNMKJ-MRXNPFEDSA-N 1 0 370.409 2.480 20 5 FEBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+]2CCCC2)o1 ZINC000263698179 549921367 /nfs/dbraw/zinc/92/13/67/549921367.db2.gz KXWLOIAQNDYELF-CQSZACIVSA-N 1 0 359.386 2.239 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263978708 549962697 /nfs/dbraw/zinc/96/26/97/549962697.db2.gz AJXMZKJMOACFQG-ZDUSSCGKSA-N 1 0 351.407 2.189 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC000264170552 549987597 /nfs/dbraw/zinc/98/75/97/549987597.db2.gz VMDNTMTWKMHDDW-ZDUSSCGKSA-N 1 0 364.446 2.393 20 5 FEBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268454317 550068433 /nfs/dbraw/zinc/06/84/33/550068433.db2.gz XHOITJZUMCDIDK-FNODVLLQSA-N 1 0 350.444 2.242 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000269124725 550158232 /nfs/dbraw/zinc/15/82/32/550158232.db2.gz WQDOUARFIWYPJZ-GXTWGEPZSA-N 1 0 363.414 2.168 20 5 FEBDRO CCOc1cc(C[NH+]2CCC(OCCC(=O)NC)CC2)ccc1[N+](=O)[O-] ZINC000492794937 561452751 /nfs/dbraw/zinc/45/27/51/561452751.db2.gz XWSGOXWEJDKISI-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000269625502 550212017 /nfs/dbraw/zinc/21/20/17/550212017.db2.gz GAAZYOHDUOCLCH-ZDUSSCGKSA-N 1 0 363.414 2.047 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000493497410 561456317 /nfs/dbraw/zinc/45/63/17/561456317.db2.gz CNEFPYOKRQMTJX-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000493537551 561456669 /nfs/dbraw/zinc/45/66/69/561456669.db2.gz WDELKDZAYUQQNC-CJNGLKHVSA-N 1 0 370.409 2.074 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493735193 561457907 /nfs/dbraw/zinc/45/79/07/561457907.db2.gz HHTFOXMBKPEOAB-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000270281026 550258831 /nfs/dbraw/zinc/25/88/31/550258831.db2.gz VJWSECZLWRNGJY-CYBMUJFWSA-N 1 0 357.414 2.275 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCSC1 ZINC000270373415 550266094 /nfs/dbraw/zinc/26/60/94/550266094.db2.gz NHQDHRLWLVNFKZ-KRWDZBQOSA-N 1 0 362.455 2.172 20 5 FEBDRO CS[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH+](C)C ZINC000270683054 550296575 /nfs/dbraw/zinc/29/65/75/550296575.db2.gz VJVUMYHSRAUSHQ-KBPBESRZSA-N 1 0 363.443 2.122 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271336246 550366212 /nfs/dbraw/zinc/36/62/12/550366212.db2.gz FJGSWUGQOMRLMN-HNNXBMFYSA-N 1 0 367.409 2.271 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295003 550435299 /nfs/dbraw/zinc/43/52/99/550435299.db2.gz HSFJEUWCZJLNAS-NOZJJQNGSA-N 1 0 355.341 2.409 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000272485566 550452515 /nfs/dbraw/zinc/45/25/15/550452515.db2.gz JUCTZVILTOECEM-LLVKDONJSA-N 1 0 359.423 2.085 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000272498731 550453463 /nfs/dbraw/zinc/45/34/63/550453463.db2.gz RCRRZNKUFWRZFZ-QGZVFWFLSA-N 1 0 367.471 2.027 20 5 FEBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521059 550455034 /nfs/dbraw/zinc/45/50/34/550455034.db2.gz PXHNNOONLFWLMO-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000273512695 550501266 /nfs/dbraw/zinc/50/12/66/550501266.db2.gz OAWLCGLRAKINLJ-HOCLYGCPSA-N 1 0 365.455 2.255 20 5 FEBDRO CS[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274062591 550521636 /nfs/dbraw/zinc/52/16/36/550521636.db2.gz OYNCDMZMFRYMQI-DOTOQJQBSA-N 1 0 351.472 2.485 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000494626694 561472785 /nfs/dbraw/zinc/47/27/85/561472785.db2.gz SAQIUPZIENDUNY-CYBMUJFWSA-N 1 0 365.411 2.235 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000274549401 550543563 /nfs/dbraw/zinc/54/35/63/550543563.db2.gz XGXBUIPTIZHXDO-GFCCVEGCSA-N 1 0 351.403 2.215 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000274589197 550545150 /nfs/dbraw/zinc/54/51/50/550545150.db2.gz QFKKSEWXIWALFX-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814539 550556796 /nfs/dbraw/zinc/55/67/96/550556796.db2.gz IPFGBPNXOPWOHO-VQIMIIECSA-N 1 0 370.453 2.257 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000276721026 550588906 /nfs/dbraw/zinc/58/89/06/550588906.db2.gz BRIJNTSTOGJLNI-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO COC(=O)c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836090 550601277 /nfs/dbraw/zinc/60/12/77/550601277.db2.gz VTPZDADCTXEEQQ-WFASDCNBSA-N 1 0 360.414 2.230 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276905517 550609425 /nfs/dbraw/zinc/60/94/25/550609425.db2.gz ILQVNUYKYGDNEZ-UHFFFAOYSA-N 1 0 356.382 2.391 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000276932263 550612695 /nfs/dbraw/zinc/61/26/95/550612695.db2.gz IUTPCECNIJMPDC-UKRRQHHQSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277507783 550678726 /nfs/dbraw/zinc/67/87/26/550678726.db2.gz PWOXXKBYZQIXHP-CYBMUJFWSA-N 1 0 366.418 2.226 20 5 FEBDRO Cc1cc(=O)n(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278544868 550797738 /nfs/dbraw/zinc/79/77/38/550797738.db2.gz KMTHGBKUOZNQAH-KRWDZBQOSA-N 1 0 357.410 2.356 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000278633387 550806279 /nfs/dbraw/zinc/80/62/79/550806279.db2.gz FQSJNNKUHMKCLH-WKPIXPDZSA-N 1 0 371.821 2.359 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1([NH+](C)C)CCOCC1 ZINC000278728137 550815564 /nfs/dbraw/zinc/81/55/64/550815564.db2.gz PSCOMFXUYKKUMW-UHFFFAOYSA-N 1 0 351.403 2.213 20 5 FEBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823323 550825909 /nfs/dbraw/zinc/82/59/09/550825909.db2.gz CMPYZMNZVLQXIX-CVEARBPZSA-N 1 0 368.821 2.125 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279288143 550873816 /nfs/dbraw/zinc/87/38/16/550873816.db2.gz XTUQTIXODABFLO-CYBMUJFWSA-N 1 0 358.373 2.320 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CCOC(C)(C)C2)c1 ZINC000279374554 550882871 /nfs/dbraw/zinc/88/28/71/550882871.db2.gz SVKZZPRCJUEMDU-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279831384 550933873 /nfs/dbraw/zinc/93/38/73/550933873.db2.gz RCIXVWLMEGPWOD-CQSZACIVSA-N 1 0 363.414 2.193 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000280330387 550981581 /nfs/dbraw/zinc/98/15/81/550981581.db2.gz VHQUPBMKBMDVGH-UHFFFAOYSA-N 1 0 365.455 2.325 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280943243 551047940 /nfs/dbraw/zinc/04/79/40/551047940.db2.gz IBDCGLLHXRUYNE-PKOBYXMFSA-N 1 0 373.409 2.021 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000281883031 551152669 /nfs/dbraw/zinc/15/26/69/551152669.db2.gz AJXHIZNEIKCGMW-PBHICJAKSA-N 1 0 350.415 2.273 20 5 FEBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894505 551154423 /nfs/dbraw/zinc/15/44/23/551154423.db2.gz BDHFHVFOSKPTNH-AHIWAGSCSA-N 1 0 361.398 2.197 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC2(C[NH+](C)C)CCC2)c(C)c([N+](=O)[O-])c1 ZINC000281934033 551159387 /nfs/dbraw/zinc/15/93/87/551159387.db2.gz KVWPDKLRFOSMHC-UHFFFAOYSA-N 1 0 364.402 2.296 20 5 FEBDRO CC(C)(C)OC(=O)Nc1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)s1 ZINC000281945097 551160914 /nfs/dbraw/zinc/16/09/14/551160914.db2.gz IGZWVCCSRFYSOF-UHFFFAOYSA-N 1 0 368.419 2.385 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000282107903 551181397 /nfs/dbraw/zinc/18/13/97/551181397.db2.gz ZYRLTRZDXVKCCD-GFCCVEGCSA-N 1 0 351.403 2.203 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000283306772 551345248 /nfs/dbraw/zinc/34/52/48/551345248.db2.gz YTOSKRXCFCNDIZ-QWRGUYRKSA-N 1 0 355.366 2.240 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750849 551421737 /nfs/dbraw/zinc/42/17/37/551421737.db2.gz OMRQUYQNTPJFLX-QMTHXVAHSA-N 1 0 350.394 2.012 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498557604 561528381 /nfs/dbraw/zinc/52/83/81/561528381.db2.gz WGAVEEIJWSTOPF-NEPJUHHUSA-N 1 0 351.403 2.167 20 5 FEBDRO CN(c1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1)C1CC[NH+](C)CC1 ZINC000285254347 551727201 /nfs/dbraw/zinc/72/72/01/551727201.db2.gz ZZBXCADGOAAQJV-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000286049707 551843128 /nfs/dbraw/zinc/84/31/28/551843128.db2.gz ATECMBIVTLYUFJ-WFASDCNBSA-N 1 0 360.414 2.230 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569679 551901046 /nfs/dbraw/zinc/90/10/46/551901046.db2.gz DYWMRQWRMGCHJF-RISCZKNCSA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733717 551920185 /nfs/dbraw/zinc/92/01/85/551920185.db2.gz OBRRFYZOZWKARN-YOEHRIQHSA-N 1 0 367.471 2.026 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286828947 551930466 /nfs/dbraw/zinc/93/04/66/551930466.db2.gz LBSCHTHQRQIJPC-BBRMVZONSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287185121 551973974 /nfs/dbraw/zinc/97/39/74/551973974.db2.gz NUYSVDGGSLBTGB-UKRRQHHQSA-N 1 0 362.430 2.372 20 5 FEBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287239310 551980084 /nfs/dbraw/zinc/98/00/84/551980084.db2.gz RBISREJVMZMRHL-DZGCQCFKSA-N 1 0 363.414 2.067 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982334 552070773 /nfs/dbraw/zinc/07/07/73/552070773.db2.gz APHCXOAFHHURLN-HOCLYGCPSA-N 1 0 369.425 2.479 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000289610720 552349322 /nfs/dbraw/zinc/34/93/22/552349322.db2.gz YIQVCDLCXIJJMS-KRWDZBQOSA-N 1 0 366.421 2.331 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCCCO)c1 ZINC000289674176 552360205 /nfs/dbraw/zinc/36/02/05/552360205.db2.gz ZUMHODXQSRVDIR-UHFFFAOYSA-N 1 0 364.183 2.452 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[C@H](CO)C2)c1 ZINC000289689675 552362647 /nfs/dbraw/zinc/36/26/47/552362647.db2.gz DTXJEZWGASIYMI-VIFPVBQESA-N 1 0 362.167 2.014 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(OCCO)CCOCC1 ZINC000500573432 561577169 /nfs/dbraw/zinc/57/71/69/561577169.db2.gz SWCLAELGQFINTG-RVDMUPIBSA-N 1 0 350.415 2.146 20 5 FEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262847 552607621 /nfs/dbraw/zinc/60/76/21/552607621.db2.gz XEQGBSCIYUSLAF-BGTYHANMSA-N 1 0 363.458 2.408 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC000292083292 552691869 /nfs/dbraw/zinc/69/18/69/552691869.db2.gz CQUPDEDEIUXXRU-FQEVSTJZSA-N 1 0 372.469 2.365 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000292274002 552711166 /nfs/dbraw/zinc/71/11/66/552711166.db2.gz QLZVWJWZDPXFMC-GOSISDBHSA-N 1 0 363.414 2.170 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000292281107 552712143 /nfs/dbraw/zinc/71/21/43/552712143.db2.gz QVLGEQGQMBEZCS-INIZCTEOSA-N 1 0 371.441 2.360 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292725232 552752796 /nfs/dbraw/zinc/75/27/96/552752796.db2.gz GCQSWZOQBVEDLO-MRXNPFEDSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000292750811 552755215 /nfs/dbraw/zinc/75/52/15/552755215.db2.gz UKXAANHBPMWMPN-VIFPVBQESA-N 1 0 369.365 2.090 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706828 552848882 /nfs/dbraw/zinc/84/88/82/552848882.db2.gz LRKNROJAIOEZDJ-KBXCAEBGSA-N 1 0 370.453 2.247 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000293755346 552853149 /nfs/dbraw/zinc/85/31/49/552853149.db2.gz WRGKRNURNFEIAV-GASCZTMLSA-N 1 0 358.442 2.267 20 5 FEBDRO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000293760941 552853699 /nfs/dbraw/zinc/85/36/99/552853699.db2.gz UIXRPQLRESKVMG-GFCCVEGCSA-N 1 0 357.414 2.418 20 5 FEBDRO CSc1ccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294241285 552890470 /nfs/dbraw/zinc/89/04/70/552890470.db2.gz DXXRYGSFQZRJHE-CYBMUJFWSA-N 1 0 363.443 2.381 20 5 FEBDRO CSc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294428844 552905481 /nfs/dbraw/zinc/90/54/81/552905481.db2.gz NRLGZWHECCXASB-ZDUSSCGKSA-N 1 0 363.443 2.083 20 5 FEBDRO CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000294627648 552921587 /nfs/dbraw/zinc/92/15/87/552921587.db2.gz SBFTZMHOZVMCFA-UHFFFAOYSA-N 1 0 362.474 2.382 20 5 FEBDRO COC(=O)Cc1ccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295091051 552958326 /nfs/dbraw/zinc/95/83/26/552958326.db2.gz SFPVRVCBYVKSDQ-AWEZNQCLSA-N 1 0 365.430 2.223 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295363729 552994413 /nfs/dbraw/zinc/99/44/13/552994413.db2.gz JIFNOQGRNQEGRS-CYBMUJFWSA-N 1 0 354.428 2.060 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000295635536 553037192 /nfs/dbraw/zinc/03/71/92/553037192.db2.gz ZQVXBJHKMQQSNT-SFHVURJKSA-N 1 0 355.398 2.153 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000296359639 553147251 /nfs/dbraw/zinc/14/72/51/553147251.db2.gz QVIGBQPYBSOZRZ-KRWDZBQOSA-N 1 0 364.446 2.324 20 5 FEBDRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000296620793 553188550 /nfs/dbraw/zinc/18/85/50/553188550.db2.gz ZFBFASPGTOAEOE-LRDDRELGSA-N 1 0 352.460 2.392 20 5 FEBDRO CNS(=O)(=O)c1ccc(N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000503298611 561639071 /nfs/dbraw/zinc/63/90/71/561639071.db2.gz KYSOQXABXPSSDQ-UHFFFAOYSA-N 1 0 372.491 2.058 20 5 FEBDRO C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CC2)C1 ZINC000298218578 553399534 /nfs/dbraw/zinc/39/95/34/553399534.db2.gz HBQLFCQKDYVXSQ-GFCCVEGCSA-N 1 0 372.429 2.097 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000298273590 553406913 /nfs/dbraw/zinc/40/69/13/553406913.db2.gz CGTXHPQZEGZCLW-UHFFFAOYSA-N 1 0 355.398 2.165 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000298284021 553407730 /nfs/dbraw/zinc/40/77/30/553407730.db2.gz XGAAAEBKFKDMCB-CYBMUJFWSA-N 1 0 351.403 2.169 20 5 FEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524858 553435971 /nfs/dbraw/zinc/43/59/71/553435971.db2.gz VZZAMCAMFDSMKL-SCLBCKFNSA-N 1 0 370.409 2.171 20 5 FEBDRO O=C(CC[N@@H+](CCCO)Cc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000298593175 553446081 /nfs/dbraw/zinc/44/60/81/553446081.db2.gz RVMDMUAOOVBICI-UHFFFAOYSA-N 1 0 358.398 2.203 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298940785 553492580 /nfs/dbraw/zinc/49/25/80/553492580.db2.gz CYCPAHCSHRGLMB-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000299079085 553512439 /nfs/dbraw/zinc/51/24/39/553512439.db2.gz TYYASUCQJDYMFM-QZTJIDSGSA-N 1 0 363.414 2.479 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000299101111 553515566 /nfs/dbraw/zinc/51/55/66/553515566.db2.gz ZNYMDVYBWZQARH-UHFFFAOYSA-N 1 0 355.460 2.336 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000299219114 553532523 /nfs/dbraw/zinc/53/25/23/553532523.db2.gz IHMPQGHFDGKCLD-HNNXBMFYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000299343035 553550821 /nfs/dbraw/zinc/55/08/21/553550821.db2.gz OVMFOOOKWYCTPD-FZKQIMNGSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000299402478 553558564 /nfs/dbraw/zinc/55/85/64/553558564.db2.gz VBBOMLDWYYWCEG-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000299446234 553564485 /nfs/dbraw/zinc/56/44/85/553564485.db2.gz YSLARNJSLWDUDI-HOCLYGCPSA-N 1 0 374.441 2.093 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000299455400 553565446 /nfs/dbraw/zinc/56/54/46/553565446.db2.gz XCBCQYMEFXKNEE-CYBMUJFWSA-N 1 0 353.419 2.271 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299525127 553575785 /nfs/dbraw/zinc/57/57/85/553575785.db2.gz DEUOFCAKHYEHON-CABCVRRESA-N 1 0 374.441 2.235 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3cc(OC)c(F)cc3[N+](=O)[O-])CC2)c1 ZINC000301609180 553665633 /nfs/dbraw/zinc/66/56/33/553665633.db2.gz AUMQBZNNICEVMT-UHFFFAOYSA-N 1 0 362.361 2.473 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301710448 553673505 /nfs/dbraw/zinc/67/35/05/553673505.db2.gz XMYIIELIWYIOFA-LLVKDONJSA-N 1 0 372.267 2.190 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301800702 553680271 /nfs/dbraw/zinc/68/02/71/553680271.db2.gz SSTCJMZFHDIGLD-CYBMUJFWSA-N 1 0 370.475 2.165 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@H]2CN3CCCC[C@@H]3CO2)c(Br)c1 ZINC000301847972 553685109 /nfs/dbraw/zinc/68/51/09/553685109.db2.gz CENIOLGHDBPABY-PWSUYJOCSA-N 1 0 371.235 2.418 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301914289 553691553 /nfs/dbraw/zinc/69/15/53/553691553.db2.gz IBCAQRXQUXYKNG-LLVKDONJSA-N 1 0 371.235 2.418 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301918896 553692174 /nfs/dbraw/zinc/69/21/74/553692174.db2.gz BQDZOEOSKHJBJC-NSHDSACASA-N 1 0 361.489 2.450 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302156351 553707354 /nfs/dbraw/zinc/70/73/54/553707354.db2.gz WFNOIDGUYIYTBI-ZDUSSCGKSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302428162 553716883 /nfs/dbraw/zinc/71/68/83/553716883.db2.gz KKZVUCPHQVNHMV-QWRGUYRKSA-N 1 0 358.236 2.249 20 5 FEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000326990495 553784921 /nfs/dbraw/zinc/78/49/21/553784921.db2.gz YETQDABSDGXQDJ-LLVKDONJSA-N 1 0 365.386 2.375 20 5 FEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000327258179 553787203 /nfs/dbraw/zinc/78/72/03/553787203.db2.gz BAFJDAZLADZFEP-CQSZACIVSA-N 1 0 361.423 2.377 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000507291915 561723998 /nfs/dbraw/zinc/72/39/98/561723998.db2.gz OZAHACPAXXHAJU-INIZCTEOSA-N 1 0 355.460 2.139 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000508037065 561749249 /nfs/dbraw/zinc/74/92/49/561749249.db2.gz JAXBCHWJJXQWTI-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CN(C)[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539946 554282571 /nfs/dbraw/zinc/28/25/71/554282571.db2.gz FQACLKCWBBPESV-FMKPAKJESA-N 1 0 353.492 2.302 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CCO1 ZINC000509055575 561783163 /nfs/dbraw/zinc/78/31/63/561783163.db2.gz HJXICQORAPSOJJ-ZDUSSCGKSA-N 1 0 357.414 2.228 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000331906529 554344034 /nfs/dbraw/zinc/34/40/34/554344034.db2.gz KFBGKXSFOLFAFK-RKVPGOIHSA-N 1 0 350.415 2.355 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331951355 554351118 /nfs/dbraw/zinc/35/11/18/554351118.db2.gz SPMZLAGBIBLRKF-ZBFHGGJFSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000331951702 554351143 /nfs/dbraw/zinc/35/11/43/554351143.db2.gz SSSFTFUNDUXAND-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954510 554352021 /nfs/dbraw/zinc/35/20/21/554352021.db2.gz TURKYNMQALGJDW-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000331970918 554355265 /nfs/dbraw/zinc/35/52/65/554355265.db2.gz RRAFBGOJBYPDTG-QGZVFWFLSA-N 1 0 371.441 2.408 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000332056206 554371426 /nfs/dbraw/zinc/37/14/26/554371426.db2.gz OSYDOFVUMZKWRX-ZIAGYGMSSA-N 1 0 362.430 2.307 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066181 554373113 /nfs/dbraw/zinc/37/31/13/554373113.db2.gz RXYOUINKONYEKF-HOCLYGCPSA-N 1 0 360.458 2.289 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000332080835 554375723 /nfs/dbraw/zinc/37/57/23/554375723.db2.gz KOMHZUZNXJBGML-ZFWWWQNUSA-N 1 0 367.471 2.459 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337585 554428527 /nfs/dbraw/zinc/42/85/27/554428527.db2.gz WDZHPFVRAZPWOT-CABCVRRESA-N 1 0 370.247 2.262 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000332347360 554430050 /nfs/dbraw/zinc/43/00/50/554430050.db2.gz UBQMBVQELQTORQ-KGLIPLIRSA-N 1 0 363.414 2.359 20 5 FEBDRO COc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000509928112 561818830 /nfs/dbraw/zinc/81/88/30/561818830.db2.gz WYQMAWQUHAHEOU-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000509932794 561819103 /nfs/dbraw/zinc/81/91/03/561819103.db2.gz XNFPPRQIMZYXAP-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332472566 554452524 /nfs/dbraw/zinc/45/25/24/554452524.db2.gz KLDDFOQOLJVKQF-KBPBESRZSA-N 1 0 362.430 2.101 20 5 FEBDRO COCCN1C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC[C@@H]21 ZINC000332587807 554477441 /nfs/dbraw/zinc/47/74/41/554477441.db2.gz LRVRGVZEOQSUMH-XYPHTWIQSA-N 1 0 362.430 2.079 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000332631218 554487116 /nfs/dbraw/zinc/48/71/16/554487116.db2.gz UZTQIRGNXPOBMC-BZNIZROVSA-N 1 0 353.369 2.358 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510679783 561843181 /nfs/dbraw/zinc/84/31/81/561843181.db2.gz GYPARZFMTZWTIS-JKSUJKDBSA-N 1 0 353.444 2.041 20 5 FEBDRO Cc1nc2ccccc2n1CCc1noc(-c2nn(C)cc2[N+](=O)[O-])n1 ZINC000350753319 554810695 /nfs/dbraw/zinc/81/06/95/554810695.db2.gz IWKFNMQIUICRBV-UHFFFAOYSA-N 1 0 353.342 2.279 20 5 FEBDRO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1=CC[N@H+](C)CC1 ZINC000511343447 561866094 /nfs/dbraw/zinc/86/60/94/561866094.db2.gz LMJRMBOQKGOXLS-ZDUSSCGKSA-N 1 0 355.398 2.161 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](n2cccn2)C1 ZINC000359941956 554857429 /nfs/dbraw/zinc/85/74/29/554857429.db2.gz QDUSWSLCAVPXQZ-AWEZNQCLSA-N 1 0 359.386 2.076 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360524234 554878280 /nfs/dbraw/zinc/87/82/80/554878280.db2.gz WRHFYSCEXQIANA-HIFRSBDPSA-N 1 0 368.821 2.311 20 5 FEBDRO C[N@H+](CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511424528 561868826 /nfs/dbraw/zinc/86/88/26/561868826.db2.gz GDOJHWSBZVMUKU-UHFFFAOYSA-N 1 0 355.442 2.244 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363193837 555050532 /nfs/dbraw/zinc/05/05/32/555050532.db2.gz ZVZFWUBCDAMSPT-HIFRSBDPSA-N 1 0 362.430 2.101 20 5 FEBDRO CN(C(=O)CN1CCC[C@@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000363213116 555055107 /nfs/dbraw/zinc/05/51/07/555055107.db2.gz JLCMYHQZACMHHV-CQSZACIVSA-N 1 0 357.414 2.171 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000363527666 555128803 /nfs/dbraw/zinc/12/88/03/555128803.db2.gz IVKRXOHCRCXUJL-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363652489 555155563 /nfs/dbraw/zinc/15/55/63/555155563.db2.gz SXKWBGFJOVKGKE-UHFFFAOYSA-N 1 0 365.405 2.308 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000363680233 555162515 /nfs/dbraw/zinc/16/25/15/555162515.db2.gz YHJIXEZNBQVPJQ-OAHLLOKOSA-N 1 0 374.441 2.319 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000363695447 555166241 /nfs/dbraw/zinc/16/62/41/555166241.db2.gz BBFUEXDYJRGZNQ-IRXDYDNUSA-N 1 0 372.400 2.367 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232891 555275389 /nfs/dbraw/zinc/27/53/89/555275389.db2.gz BVABDDNYMDRRRU-QWHCGFSZSA-N 1 0 351.378 2.421 20 5 FEBDRO O=C(CC[N@@H+]1CCOC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364257079 555279646 /nfs/dbraw/zinc/27/96/46/555279646.db2.gz BGXRLTHEYUYONY-UHFFFAOYSA-N 1 0 363.414 2.195 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512409490 561903864 /nfs/dbraw/zinc/90/38/64/561903864.db2.gz NQPLAWCMYAEJPQ-UHFFFAOYSA-N 1 0 357.414 2.227 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1c1ncc[nH]1 ZINC000364720097 555385097 /nfs/dbraw/zinc/38/50/97/555385097.db2.gz BTNPQIQXVTYBGO-CYBMUJFWSA-N 1 0 350.400 2.461 20 5 FEBDRO COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764094 555396793 /nfs/dbraw/zinc/39/67/93/555396793.db2.gz KJLPLIXAOXZJRS-OLZOCXBDSA-N 1 0 363.414 2.361 20 5 FEBDRO Cn1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(-c2cccnc2)n1 ZINC000365116619 555489073 /nfs/dbraw/zinc/48/90/73/555489073.db2.gz KRHNUSPVGDEOQF-UHFFFAOYSA-N 1 0 367.413 2.424 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(c2cnccn2)CC1 ZINC000365150066 555495762 /nfs/dbraw/zinc/49/57/62/555495762.db2.gz ISTBZQKTYGQALW-HNNXBMFYSA-N 1 0 358.398 2.004 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2cccn2)CC1 ZINC000365159611 555497961 /nfs/dbraw/zinc/49/79/61/555497961.db2.gz JWNLCTZUBLHVJG-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO CCOc1cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190194 555506276 /nfs/dbraw/zinc/50/62/76/555506276.db2.gz FVXIQGLSKXERAQ-KRWDZBQOSA-N 1 0 362.474 2.205 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365265806 555526931 /nfs/dbraw/zinc/52/69/31/555526931.db2.gz JFFZQHCNFNYONQ-XAUMDUMWSA-N 1 0 372.421 2.220 20 5 FEBDRO O=C(C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000365272639 555528858 /nfs/dbraw/zinc/52/88/58/555528858.db2.gz XRGSQFSLCVXWGH-LIRRHRJNSA-N 1 0 355.394 2.419 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000513026661 561922837 /nfs/dbraw/zinc/92/28/37/561922837.db2.gz DXJZUBXNUXODQD-QTLSWZBMSA-N 1 0 359.348 2.461 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365412191 555568135 /nfs/dbraw/zinc/56/81/35/555568135.db2.gz DLDWBPLYVLVRCO-UHFFFAOYSA-N 1 0 362.430 2.420 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000365422737 555571217 /nfs/dbraw/zinc/57/12/17/555571217.db2.gz FGXUPUAKBHYTFN-UHFFFAOYSA-N 1 0 366.418 2.180 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000365427271 555572511 /nfs/dbraw/zinc/57/25/11/555572511.db2.gz ZAKSVXKTOMERRV-DZGCQCFKSA-N 1 0 365.434 2.123 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000366034947 555732726 /nfs/dbraw/zinc/73/27/26/555732726.db2.gz ZSUKAPFZBIWYPT-KRWDZBQOSA-N 1 0 361.446 2.227 20 5 FEBDRO O=C(CN1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000366164334 555769459 /nfs/dbraw/zinc/76/94/59/555769459.db2.gz RTFAYYVOVAGFGX-UHFFFAOYSA-N 1 0 350.394 2.233 20 5 FEBDRO CSc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366561491 555875794 /nfs/dbraw/zinc/87/57/94/555875794.db2.gz BNUZNSMEDTUCMV-AWEZNQCLSA-N 1 0 365.455 2.300 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@]2(C1)CCCOC2 ZINC000366948086 555979588 /nfs/dbraw/zinc/97/95/88/555979588.db2.gz VKTFEWMWHLWCNH-ACJLOTCBSA-N 1 0 363.414 2.433 20 5 FEBDRO C[N@H+](C[C@@H]1CC12CCN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2)C1CC1 ZINC000367296005 556010565 /nfs/dbraw/zinc/01/05/65/556010565.db2.gz NOOLHJDHGPQABR-ZDUSSCGKSA-N 1 0 356.430 2.338 20 5 FEBDRO O=C1CC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C2CC2)N1 ZINC000367450688 556052952 /nfs/dbraw/zinc/05/29/52/556052952.db2.gz PAZKWAFKNUMQDJ-RDJZCZTQSA-N 1 0 356.382 2.397 20 5 FEBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000367625527 556099498 /nfs/dbraw/zinc/09/94/98/556099498.db2.gz YNEJNWMWCBFCFP-QXCFHYIPSA-N 1 0 374.441 2.093 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367648613 556104827 /nfs/dbraw/zinc/10/48/27/556104827.db2.gz KEXRHUILLIJWPC-UHFFFAOYSA-N 1 0 363.377 2.314 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000367940221 556178187 /nfs/dbraw/zinc/17/81/87/556178187.db2.gz CWOHMJIHIIAIRY-HOTGVXAUSA-N 1 0 373.384 2.375 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4C)C[C@@H]3C2)no1 ZINC000368212344 556250372 /nfs/dbraw/zinc/25/03/72/556250372.db2.gz MUDPLABBTFRVLA-IYBDPMFKSA-N 1 0 371.441 2.412 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000368446155 556311192 /nfs/dbraw/zinc/31/11/92/556311192.db2.gz JIXOFXCCMKBPEZ-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000368615161 556363762 /nfs/dbraw/zinc/36/37/62/556363762.db2.gz RUXGASYMAHIHRE-IXDOHACOSA-N 1 0 364.442 2.473 20 5 FEBDRO O=C(C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368633754 556370103 /nfs/dbraw/zinc/37/01/03/556370103.db2.gz SOVHXFQIANWYBY-INIZCTEOSA-N 1 0 366.421 2.444 20 5 FEBDRO O=C(Nc1cnccn1)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368790834 556413452 /nfs/dbraw/zinc/41/34/52/556413452.db2.gz OSIUHIUDVXRMFE-UHFFFAOYSA-N 1 0 371.397 2.114 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552345 562014819 /nfs/dbraw/zinc/01/48/19/562014819.db2.gz DUCBJDJLQSRJFT-CVEARBPZSA-N 1 0 374.441 2.194 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000369204065 556535171 /nfs/dbraw/zinc/53/51/71/556535171.db2.gz NUDSJHMKCRSQNN-HNNXBMFYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359131 556579591 /nfs/dbraw/zinc/57/95/91/556579591.db2.gz PCIAQJWHULKICT-BNOWGMLFSA-N 1 0 353.444 2.276 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000369507931 556614410 /nfs/dbraw/zinc/61/44/10/556614410.db2.gz SBQNEKUOBOZVKE-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369590379 556640522 /nfs/dbraw/zinc/64/05/22/556640522.db2.gz FUYIDDVCXORCQY-ZTFGCOKTSA-N 1 0 359.426 2.229 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000516572071 562048826 /nfs/dbraw/zinc/04/88/26/562048826.db2.gz KCJVKXWONXUUSQ-UHFFFAOYSA-N 1 0 374.235 2.008 20 5 FEBDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113802 556784583 /nfs/dbraw/zinc/78/45/83/556784583.db2.gz VNBKBVOCHAPSGV-AEFFLSMTSA-N 1 0 373.409 2.191 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cnc3n2CCCC3)cc1OC ZINC000370285844 556830066 /nfs/dbraw/zinc/83/00/66/556830066.db2.gz QHQOVGMBHKBVBD-UHFFFAOYSA-N 1 0 374.397 2.465 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503408 556892874 /nfs/dbraw/zinc/89/28/74/556892874.db2.gz SJKKRDCHOYXXNS-OAHLLOKOSA-N 1 0 355.394 2.493 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000370505168 556893424 /nfs/dbraw/zinc/89/34/24/556893424.db2.gz QLDCUUZJEQWXTR-AWEZNQCLSA-N 1 0 356.382 2.268 20 5 FEBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000370538111 556902884 /nfs/dbraw/zinc/90/28/84/556902884.db2.gz FCLUJBVIFDUMPH-UHFFFAOYSA-N 1 0 350.444 2.081 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000370908242 557010869 /nfs/dbraw/zinc/01/08/69/557010869.db2.gz AOXKPKCGJLQMDQ-KBXCAEBGSA-N 1 0 371.441 2.450 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371244683 557117637 /nfs/dbraw/zinc/11/76/37/557117637.db2.gz PPRQJHRDOWBKEF-INIZCTEOSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371244684 557117785 /nfs/dbraw/zinc/11/77/85/557117785.db2.gz PPRQJHRDOWBKEF-MRXNPFEDSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000371307045 557139670 /nfs/dbraw/zinc/13/96/70/557139670.db2.gz ADAMUSFZVQJFJM-LJQANCHMSA-N 1 0 369.425 2.446 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000371529647 557211993 /nfs/dbraw/zinc/21/19/93/557211993.db2.gz UAQUPSFBGIKLDM-UHFFFAOYSA-N 1 0 371.384 2.257 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000518610795 562115327 /nfs/dbraw/zinc/11/53/27/562115327.db2.gz ZWNFAXCGQNICHO-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092320 557378332 /nfs/dbraw/zinc/37/83/32/557378332.db2.gz RDXLSWSGZAQYNL-MAUKXSAKSA-N 1 0 363.458 2.283 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000372105250 557381016 /nfs/dbraw/zinc/38/10/16/557381016.db2.gz IPDJOQDKJPFJAC-OAHLLOKOSA-N 1 0 367.413 2.039 20 5 FEBDRO COc1ccc(CC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000518976103 562122293 /nfs/dbraw/zinc/12/22/93/562122293.db2.gz DBGADXIARVNVTO-SJORKVTESA-N 1 0 369.421 2.347 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccncc2)n1 ZINC000372272596 557427634 /nfs/dbraw/zinc/42/76/34/557427634.db2.gz IHJJPOSLDRBBAN-INIZCTEOSA-N 1 0 367.413 2.424 20 5 FEBDRO C[C@@H](C(=O)NCc1cccs1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281466 557428351 /nfs/dbraw/zinc/42/83/51/557428351.db2.gz ITDXIZVHQXXOLT-STQMWFEESA-N 1 0 363.443 2.195 20 5 FEBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034998 562123681 /nfs/dbraw/zinc/12/36/81/562123681.db2.gz IPOCOYJLKYHJSW-YOEHRIQHSA-N 1 0 370.471 2.409 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391359 557458685 /nfs/dbraw/zinc/45/86/85/557458685.db2.gz AXISOPOWCXZTHZ-GFCCVEGCSA-N 1 0 361.446 2.217 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000372674547 557534695 /nfs/dbraw/zinc/53/46/95/557534695.db2.gz MCFHHWZLHZVLNT-NHYWBVRUSA-N 1 0 369.368 2.104 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000372883919 557582053 /nfs/dbraw/zinc/58/20/53/557582053.db2.gz SLQPEUUBJXJAAQ-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951321 557595361 /nfs/dbraw/zinc/59/53/61/557595361.db2.gz WGLZXLZKKJXXPE-CVEARBPZSA-N 1 0 374.441 2.059 20 5 FEBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000373063878 557619685 /nfs/dbraw/zinc/61/96/85/557619685.db2.gz RADJLKBSQAVBJU-PBHICJAKSA-N 1 0 359.474 2.025 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000520123424 562149430 /nfs/dbraw/zinc/14/94/30/562149430.db2.gz AGOSPKJLLHOPQI-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568371 557719758 /nfs/dbraw/zinc/71/97/58/557719758.db2.gz QJSSATWRKODLDW-WMZOPIPTSA-N 1 0 374.441 2.485 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1OC ZINC000373609515 557728768 /nfs/dbraw/zinc/72/87/68/557728768.db2.gz HMZKNPDYQZDWDW-SJLPKXTDSA-N 1 0 363.414 2.346 20 5 FEBDRO C[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)(C(F)(F)F)CC1 ZINC000373662924 557733696 /nfs/dbraw/zinc/73/36/96/557733696.db2.gz MHRRBBJPQUUXSV-UHFFFAOYSA-N 1 0 361.320 2.117 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000373894481 557781613 /nfs/dbraw/zinc/78/16/13/557781613.db2.gz SCZFALOJINYKLY-QMTHXVAHSA-N 1 0 362.411 2.180 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374529784 557895742 /nfs/dbraw/zinc/89/57/42/557895742.db2.gz YOLGBUKMFNLTNK-QIIPPGSGSA-N 1 0 363.414 2.240 20 5 FEBDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000374849445 557940553 /nfs/dbraw/zinc/94/05/53/557940553.db2.gz DHWGRRPFFUVVMF-MQVJKMGUSA-N 1 0 369.425 2.338 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000375064789 557972537 /nfs/dbraw/zinc/97/25/37/557972537.db2.gz ZECISHUFGIUOJE-MSOLQXFVSA-N 1 0 355.394 2.479 20 5 FEBDRO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000375531294 558044130 /nfs/dbraw/zinc/04/41/30/558044130.db2.gz CLMQCIMUFRWLNP-KRWDZBQOSA-N 1 0 361.423 2.136 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1(C2CC2)CCOCC1 ZINC000375700591 558069901 /nfs/dbraw/zinc/06/99/01/558069901.db2.gz HCNQNGSKXPIUAS-GFCCVEGCSA-N 1 0 363.414 2.479 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000376494006 558180772 /nfs/dbraw/zinc/18/07/72/558180772.db2.gz YLOPKXFNAYKNFD-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO Cc1nc(CN(C)[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)no1 ZINC000376686352 558208286 /nfs/dbraw/zinc/20/82/86/558208286.db2.gz DHXLIYUDWXUMDF-CQSZACIVSA-N 1 0 360.418 2.481 20 5 FEBDRO Cc1nc(CN(C)[C@@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000376688398 558208573 /nfs/dbraw/zinc/20/85/73/558208573.db2.gz JXPDYRFYRVWPIM-CQSZACIVSA-N 1 0 360.418 2.481 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000376746652 558216281 /nfs/dbraw/zinc/21/62/81/558216281.db2.gz CYLYGQAGSXXMPV-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000522000698 562188729 /nfs/dbraw/zinc/18/87/29/562188729.db2.gz TTXBSCUXGZIFRM-HNNXBMFYSA-N 1 0 367.471 2.167 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258632 558300256 /nfs/dbraw/zinc/30/02/56/558300256.db2.gz SUQVOYGUOKPHEN-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO CN(Cc1csc([N+](=O)[O-])c1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000377576534 558369322 /nfs/dbraw/zinc/36/93/22/558369322.db2.gz YREXDGRKAYAVQK-UHFFFAOYSA-N 1 0 366.487 2.175 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000522520801 562199377 /nfs/dbraw/zinc/19/93/77/562199377.db2.gz HGVVJIZSEYHGJC-HNNXBMFYSA-N 1 0 351.403 2.420 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377837641 558432162 /nfs/dbraw/zinc/43/21/62/558432162.db2.gz PMRZMUAPHIBILB-GPMSIDNRSA-N 1 0 366.421 2.433 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000378157793 558492748 /nfs/dbraw/zinc/49/27/48/558492748.db2.gz BDRLVXHXKJPSAL-AWEZNQCLSA-N 1 0 371.393 2.329 20 5 FEBDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253330 558512244 /nfs/dbraw/zinc/51/22/44/558512244.db2.gz QJKBLYBBUWHAAM-RCCFBDPRSA-N 1 0 361.442 2.494 20 5 FEBDRO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000378308421 558525609 /nfs/dbraw/zinc/52/56/09/558525609.db2.gz CUDJGANJFQZNNE-UHFFFAOYSA-N 1 0 357.414 2.002 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000378365096 558539848 /nfs/dbraw/zinc/53/98/48/558539848.db2.gz HUHJBWBVGRJFLA-QGZVFWFLSA-N 1 0 374.485 2.372 20 5 FEBDRO Nc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000378512242 558572608 /nfs/dbraw/zinc/57/26/08/558572608.db2.gz DTJURNZGBGIZTF-ZBFHGGJFSA-N 1 0 358.373 2.192 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000408448471 558678036 /nfs/dbraw/zinc/67/80/36/558678036.db2.gz VLRGRSGVZLGUHA-JYYAWHABSA-N 1 0 350.419 2.203 20 5 FEBDRO COc1ccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945430 562238074 /nfs/dbraw/zinc/23/80/74/562238074.db2.gz VJJZRYWSAUYPJK-HXUWFJFHSA-N 1 0 371.437 2.330 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525086304 562240235 /nfs/dbraw/zinc/24/02/35/562240235.db2.gz HWPKIFOUCWTLOG-ZIAGYGMSSA-N 1 0 370.475 2.026 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000525103985 562240650 /nfs/dbraw/zinc/24/06/50/562240650.db2.gz VUJCBVWOPVXTBC-NWDGAFQWSA-N 1 0 351.403 2.215 20 5 FEBDRO CCC[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000411722594 558950300 /nfs/dbraw/zinc/95/03/00/558950300.db2.gz VOOUIAJEYZLGJI-KRWDZBQOSA-N 1 0 351.403 2.481 20 5 FEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776842 558960479 /nfs/dbraw/zinc/96/04/79/558960479.db2.gz YFAITWJXSRKYFA-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411929986 558990141 /nfs/dbraw/zinc/99/01/41/558990141.db2.gz YKZAEGZXWSSFSW-LZLYRXPVSA-N 1 0 358.394 2.142 20 5 FEBDRO CO[C@@](C)([C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965815 558996620 /nfs/dbraw/zinc/99/66/20/558996620.db2.gz FZJWPHNXLYZNRD-WBMJQRKESA-N 1 0 356.444 2.162 20 5 FEBDRO NC(=O)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000411968087 558996929 /nfs/dbraw/zinc/99/69/29/558996929.db2.gz FNFALVHFSMVVEF-LSDHHAIUSA-N 1 0 366.377 2.437 20 5 FEBDRO COc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411968590 558997098 /nfs/dbraw/zinc/99/70/98/558997098.db2.gz ORRHTOUUICMEKM-IBGZPJMESA-N 1 0 355.394 2.232 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975079 558998133 /nfs/dbraw/zinc/99/81/33/558998133.db2.gz UWSPGPNKGYHGLU-APPDUMDISA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000412121377 559015424 /nfs/dbraw/zinc/01/54/24/559015424.db2.gz FIOKNKOXXLNAJU-NEPJUHHUSA-N 1 0 353.394 2.226 20 5 FEBDRO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCN(C)CC1 ZINC000412145845 559016913 /nfs/dbraw/zinc/01/69/13/559016913.db2.gz JKOBTECLCZKSRL-IPMKNSEASA-N 1 0 374.485 2.087 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1F ZINC000412165769 559017806 /nfs/dbraw/zinc/01/78/06/559017806.db2.gz FEJAKZFMTAJPFT-LBPRGKRZSA-N 1 0 355.410 2.378 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC000412188777 559018949 /nfs/dbraw/zinc/01/89/49/559018949.db2.gz CAMDFCMARCMNJS-OCCSQVGLSA-N 1 0 365.405 2.228 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412206859 559020097 /nfs/dbraw/zinc/02/00/97/559020097.db2.gz UASTYWVOADTYPU-RHQZKXFESA-N 1 0 373.453 2.408 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000413532749 559114662 /nfs/dbraw/zinc/11/46/62/559114662.db2.gz NJRFEMIIYUDCKP-HZPDHXFCSA-N 1 0 359.430 2.277 20 5 FEBDRO COc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415019967 559201022 /nfs/dbraw/zinc/20/10/22/559201022.db2.gz ALPZWTSILCXTLL-YRWFTTLQSA-N 1 0 369.421 2.490 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415487959 559242331 /nfs/dbraw/zinc/24/23/31/559242331.db2.gz LGWQOYHBYVPINS-ZDUSSCGKSA-N 1 0 370.409 2.486 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H](CC[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415600346 559254293 /nfs/dbraw/zinc/25/42/93/559254293.db2.gz NTLRAWONDNEMHZ-GFCCVEGCSA-N 1 0 364.402 2.283 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)c(C)c([N+](=O)[O-])c1 ZINC000415602655 559254418 /nfs/dbraw/zinc/25/44/18/559254418.db2.gz SFMPEEHXSJGSMM-ZDUSSCGKSA-N 1 0 364.402 2.344 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000415967866 559285620 /nfs/dbraw/zinc/28/56/20/559285620.db2.gz BLVRZIGZBUBQRV-UHFFFAOYSA-N 1 0 355.398 2.408 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409010 559310868 /nfs/dbraw/zinc/31/08/68/559310868.db2.gz TVJMLSKDQGJGHW-ZIAGYGMSSA-N 1 0 355.460 2.172 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417172955 559351324 /nfs/dbraw/zinc/35/13/24/559351324.db2.gz GOHMIIJCXZUXDB-KGLIPLIRSA-N 1 0 362.430 2.135 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417234920 559354182 /nfs/dbraw/zinc/35/41/82/559354182.db2.gz QNMCLDKRUDBSII-GOSISDBHSA-N 1 0 354.410 2.324 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000417710147 559373641 /nfs/dbraw/zinc/37/36/41/559373641.db2.gz BUBWOOMMGPXKKT-SFHVURJKSA-N 1 0 361.446 2.100 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000417771783 559375895 /nfs/dbraw/zinc/37/58/95/559375895.db2.gz VNFSOFRZIWGACT-DLBZAZTESA-N 1 0 354.410 2.274 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417982906 559384858 /nfs/dbraw/zinc/38/48/58/559384858.db2.gz DUPIMNHICWNNFH-STQMWFEESA-N 1 0 352.822 2.042 20 5 FEBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000418090903 559389893 /nfs/dbraw/zinc/38/98/93/559389893.db2.gz OPSJSEILFLOOJH-TVQRCGJNSA-N 1 0 360.336 2.492 20 5 FEBDRO C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000418774004 559415294 /nfs/dbraw/zinc/41/52/94/559415294.db2.gz CPTIYEHMSHPZSR-QWHCGFSZSA-N 1 0 370.409 2.108 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420281517 559478541 /nfs/dbraw/zinc/47/85/41/559478541.db2.gz MBUNZMJBZJPHTM-HOTGVXAUSA-N 1 0 373.413 2.368 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CN)C1CCCCC1 ZINC000420370270 559483458 /nfs/dbraw/zinc/48/34/58/559483458.db2.gz OWFWVTUBAKTFGE-MRXNPFEDSA-N 1 0 364.446 2.429 20 5 FEBDRO CN(C(=O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000420388485 559484732 /nfs/dbraw/zinc/48/47/32/559484732.db2.gz KZZCATRREQORKP-ZWKOTPCHSA-N 1 0 372.400 2.123 20 5 FEBDRO O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420395989 559485098 /nfs/dbraw/zinc/48/50/98/559485098.db2.gz DWONHVOQQWRDDL-IBGZPJMESA-N 1 0 366.421 2.130 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420399015 559485583 /nfs/dbraw/zinc/48/55/83/559485583.db2.gz HLARHYYWVMXVGU-GOSISDBHSA-N 1 0 370.409 2.188 20 5 FEBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420412634 559486411 /nfs/dbraw/zinc/48/64/11/559486411.db2.gz YXIQKBSQSJQYCF-DZGCQCFKSA-N 1 0 358.373 2.099 20 5 FEBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000420428724 559487088 /nfs/dbraw/zinc/48/70/88/559487088.db2.gz SODSXAXSGFSIJO-UHFFFAOYSA-N 1 0 355.460 2.108 20 5 FEBDRO CC(C)(C)[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000420450271 559487955 /nfs/dbraw/zinc/48/79/55/559487955.db2.gz PAVLEIPTDSXLHB-NSHDSACASA-N 1 0 369.365 2.265 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1C ZINC000420743044 559501848 /nfs/dbraw/zinc/50/18/48/559501848.db2.gz JQPHXMRBWUGBPT-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420747419 559501982 /nfs/dbraw/zinc/50/19/82/559501982.db2.gz OMUPBNLXUVFBPK-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921516 559511352 /nfs/dbraw/zinc/51/13/52/559511352.db2.gz DBHYXHPOKDZEEY-ROUUACIJSA-N 1 0 362.405 2.389 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421015626 559519533 /nfs/dbraw/zinc/51/95/33/559519533.db2.gz LPSIPUUBCSTCPS-CQSZACIVSA-N 1 0 363.414 2.377 20 5 FEBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000421025679 559520461 /nfs/dbraw/zinc/52/04/61/559520461.db2.gz DPFILCFBLLCDOI-CYBMUJFWSA-N 1 0 351.403 2.015 20 5 FEBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421032182 559521008 /nfs/dbraw/zinc/52/10/08/559521008.db2.gz LHEXUHOIJGWBFT-ZDUSSCGKSA-N 1 0 351.403 2.015 20 5 FEBDRO COc1ccc(OCC[NH2+][C@H](C)C2(OC)CCOCC2)c([N+](=O)[O-])c1 ZINC000421036252 559521134 /nfs/dbraw/zinc/52/11/34/559521134.db2.gz QAEUFJNTFRBNTR-CYBMUJFWSA-N 1 0 354.403 2.156 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421403820 559541295 /nfs/dbraw/zinc/54/12/95/559541295.db2.gz YASGPXAHZTWLFH-IMJJTQAJSA-N 1 0 356.430 2.287 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCNCc2cccnc2)n1 ZINC000423179871 559622147 /nfs/dbraw/zinc/62/21/47/559622147.db2.gz ALKYCWNYHRQVSF-IRXDYDNUSA-N 1 0 358.446 2.440 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCNCc2cccnc2)n1 ZINC000423179869 559622158 /nfs/dbraw/zinc/62/21/58/559622158.db2.gz ALKYCWNYHRQVSF-DLBZAZTESA-N 1 0 358.446 2.440 20 5 FEBDRO Cn1ccnc1[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489412 559630119 /nfs/dbraw/zinc/63/01/19/559630119.db2.gz WLQJUHZBYJXOGE-KBPBESRZSA-N 1 0 351.357 2.005 20 5 FEBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423578466 559632970 /nfs/dbraw/zinc/63/29/70/559632970.db2.gz UQKJUMQTGVPKSO-JTQLQIEISA-N 1 0 357.360 2.299 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423960812 559648086 /nfs/dbraw/zinc/64/80/86/559648086.db2.gz CVJXTTQASHYHGS-DOTOQJQBSA-N 1 0 354.410 2.269 20 5 FEBDRO CCCc1[nH]nc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1[N+](=O)[O-] ZINC000423981820 559648945 /nfs/dbraw/zinc/64/89/45/559648945.db2.gz XVQQEOXCIBYILU-UHFFFAOYSA-N 1 0 364.431 2.446 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000424064850 559653192 /nfs/dbraw/zinc/65/31/92/559653192.db2.gz DPXNFEOAZCTEDT-HZSPNIEDSA-N 1 0 357.414 2.226 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000424076021 559654065 /nfs/dbraw/zinc/65/40/65/559654065.db2.gz PWUIKDDQWYQNME-ZOWXZIJZSA-N 1 0 363.414 2.217 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C[NH3+] ZINC000424081133 559654152 /nfs/dbraw/zinc/65/41/52/559654152.db2.gz WHVNPWWDFYYEMJ-HZSPNIEDSA-N 1 0 357.414 2.226 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000425283415 559694666 /nfs/dbraw/zinc/69/46/66/559694666.db2.gz SYDQRLJNBDDDKE-UHFFFAOYSA-N 1 0 365.430 2.237 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000427922106 559765269 /nfs/dbraw/zinc/76/52/69/559765269.db2.gz AIRSUKZPLQCMGJ-ZDUSSCGKSA-N 1 0 372.425 2.401 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428024683 559767601 /nfs/dbraw/zinc/76/76/01/559767601.db2.gz PAUCKQVAVAEALP-ZDUSSCGKSA-N 1 0 360.414 2.368 20 5 FEBDRO COc1cc(OCC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000429483035 559799585 /nfs/dbraw/zinc/79/95/85/559799585.db2.gz JKBBKGFAFWEOQN-GFCCVEGCSA-N 1 0 359.382 2.318 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000429925790 559808847 /nfs/dbraw/zinc/80/88/47/559808847.db2.gz NSLKYAPMKVMOFP-HUUCEWRRSA-N 1 0 363.458 2.488 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430596884 559824070 /nfs/dbraw/zinc/82/40/70/559824070.db2.gz XYIVAMXKQCSQNI-DOMZBBRYSA-N 1 0 350.419 2.134 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430618581 559824874 /nfs/dbraw/zinc/82/48/74/559824874.db2.gz VKRRLHFWZWWGAP-IUODEOHRSA-N 1 0 350.419 2.134 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1C ZINC000431964215 559849365 /nfs/dbraw/zinc/84/93/65/559849365.db2.gz NEFRGECUFKTKPH-MAUKXSAKSA-N 1 0 373.413 2.003 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433061222 559870849 /nfs/dbraw/zinc/87/08/49/559870849.db2.gz OKDGDFCVYXHTFP-KDOFPFPSSA-N 1 0 357.410 2.457 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000433888519 559889916 /nfs/dbraw/zinc/88/99/16/559889916.db2.gz QWZJCEKSRUIWSX-UHFFFAOYSA-N 1 0 361.423 2.408 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000437593146 559966613 /nfs/dbraw/zinc/96/66/13/559966613.db2.gz TXMVYHVPJMCGNW-KMFMINBZSA-N 1 0 372.425 2.400 20 5 FEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CCCCC1 ZINC000440729811 560017283 /nfs/dbraw/zinc/01/72/83/560017283.db2.gz GSIJDFHYCDKEHE-UHFFFAOYSA-N 1 0 364.427 2.083 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000441258000 560027285 /nfs/dbraw/zinc/02/72/85/560027285.db2.gz BYUOGDKHAYXQHG-ZLDLUXBVSA-N 1 0 351.403 2.478 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109793 560044265 /nfs/dbraw/zinc/04/42/65/560044265.db2.gz IOOCZSWKMQCUGI-MJBXVCDLSA-N 1 0 355.460 2.240 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000443972001 560097830 /nfs/dbraw/zinc/09/78/30/560097830.db2.gz LRXZNKGKGMEFJG-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445995158 560138063 /nfs/dbraw/zinc/13/80/63/560138063.db2.gz YGWFJTXIBBNHFE-GFCCVEGCSA-N 1 0 356.220 2.110 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446904668 560153322 /nfs/dbraw/zinc/15/33/22/560153322.db2.gz BSOHQTADJHTNRT-STQMWFEESA-N 1 0 374.445 2.485 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000449110581 560216101 /nfs/dbraw/zinc/21/61/01/560216101.db2.gz DZVXJCUYNWPTFN-CRAIPNDOSA-N 1 0 362.474 2.058 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000449214261 560220649 /nfs/dbraw/zinc/22/06/49/560220649.db2.gz WLTKSUTZYPWJOU-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO COc1ccc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449557229 560233356 /nfs/dbraw/zinc/23/33/56/560233356.db2.gz VEPCLKXJZHLDDT-INIZCTEOSA-N 1 0 354.428 2.004 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000449630851 560235115 /nfs/dbraw/zinc/23/51/15/560235115.db2.gz VUYKGKFXVWXSSB-JTQLQIEISA-N 1 0 356.354 2.431 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000449663385 560236098 /nfs/dbraw/zinc/23/60/98/560236098.db2.gz AALJBJCWDXJEHC-HIFRSBDPSA-N 1 0 353.806 2.217 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449672864 560236398 /nfs/dbraw/zinc/23/63/98/560236398.db2.gz NMIUPNANTVZXPW-AWEZNQCLSA-N 1 0 358.402 2.069 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cnc(C)cc2C)cc1[N+](=O)[O-] ZINC000449732547 560238438 /nfs/dbraw/zinc/23/84/38/560238438.db2.gz BRUNEMJYZPVTJQ-UHFFFAOYSA-N 1 0 359.382 2.448 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000450258561 560256068 /nfs/dbraw/zinc/25/60/68/560256068.db2.gz REXIQOTZHIUHDH-HNNXBMFYSA-N 1 0 362.455 2.977 20 5 FEBDRO Cc1c(Br)c(N[C@@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000450614943 560268021 /nfs/dbraw/zinc/26/80/21/560268021.db2.gz NPRSRWJJULGYQV-LLVKDONJSA-N 1 0 373.251 2.319 20 5 FEBDRO Cc1nn(C)cc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450735412 560271709 /nfs/dbraw/zinc/27/17/09/560271709.db2.gz FOCCNOUXBRLQMG-UHFFFAOYSA-N 1 0 369.429 2.225 20 5 FEBDRO C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450806765 560274101 /nfs/dbraw/zinc/27/41/01/560274101.db2.gz FUMBRTDIQXUPRO-AWEZNQCLSA-N 1 0 369.425 2.047 20 5 FEBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451235013 560294885 /nfs/dbraw/zinc/29/48/85/560294885.db2.gz NIIAARATXBYVSK-OIISXLGYSA-N 1 0 366.414 2.046 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]21 ZINC000451482695 560309729 /nfs/dbraw/zinc/30/97/29/560309729.db2.gz WRESJEOOCHBSHH-QGTPRVQTSA-N 1 0 359.426 2.277 20 5 FEBDRO COC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC(C)(C)O1 ZINC000451572626 560315513 /nfs/dbraw/zinc/31/55/13/560315513.db2.gz SFPPUVYUQZZCRF-AWEZNQCLSA-N 1 0 374.397 2.047 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451776316 560328045 /nfs/dbraw/zinc/32/80/45/560328045.db2.gz GPVLJLYTNYEAGN-GFCCVEGCSA-N 1 0 353.419 2.271 20 5 FEBDRO COc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000451890273 560335053 /nfs/dbraw/zinc/33/50/53/560335053.db2.gz MZYSQAKXTCTYOZ-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OCC)c([N+](=O)[O-])c1 ZINC000452016710 560345742 /nfs/dbraw/zinc/34/57/42/560345742.db2.gz OEJBSYGLYUVDOF-GDBMZVCRSA-N 1 0 351.403 2.479 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452095468 560350917 /nfs/dbraw/zinc/35/09/17/560350917.db2.gz KWKXFLDVPAJFTJ-LBPRGKRZSA-N 1 0 361.851 2.351 20 5 FEBDRO COc1cc2c(cc1CN1CCN(c3ncccc3[N+](=O)[O-])CC1)OCO2 ZINC000453576742 560389268 /nfs/dbraw/zinc/38/92/68/560389268.db2.gz NBYCBBJNANRNAJ-UHFFFAOYSA-N 1 0 372.381 2.049 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC(C)(C)C[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000455261295 560475966 /nfs/dbraw/zinc/47/59/66/560475966.db2.gz VUXSXKURMKOWMP-UHFFFAOYSA-N 1 0 352.391 2.152 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915707 560500047 /nfs/dbraw/zinc/50/00/47/560500047.db2.gz NLOGKJOBNBOGTB-ZFWWWQNUSA-N 1 0 369.425 2.424 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456034675 560505146 /nfs/dbraw/zinc/50/51/46/560505146.db2.gz WAJOLBVGVHCOMS-HNNXBMFYSA-N 1 0 369.425 2.283 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457065501 560546548 /nfs/dbraw/zinc/54/65/48/560546548.db2.gz XKOPEKLYVQUWNK-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000457369523 560564178 /nfs/dbraw/zinc/56/41/78/560564178.db2.gz GZRMUTRMFJWCJF-HOTGVXAUSA-N 1 0 372.400 2.489 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000457388224 560564550 /nfs/dbraw/zinc/56/45/50/560564550.db2.gz YZQHTGLSEKMNFW-GHMZBOCLSA-N 1 0 355.847 2.408 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000459630314 560698600 /nfs/dbraw/zinc/69/86/00/560698600.db2.gz IHEAJBGAWMRCMF-OKILXGFUSA-N 1 0 352.387 2.192 20 5 FEBDRO COc1ccc(NC(=O)CN2CC3(CCC3)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000459666125 560701048 /nfs/dbraw/zinc/70/10/48/560701048.db2.gz GUKZHBSJLSVUAM-CJNGLKHVSA-N 1 0 361.398 2.043 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128865 560735802 /nfs/dbraw/zinc/73/58/02/560735802.db2.gz GYZZNHJZAQJAAF-CABCVRRESA-N 1 0 360.414 2.126 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984001 560877633 /nfs/dbraw/zinc/87/76/33/560877633.db2.gz RVISQRFZJPNVPE-CABCVRRESA-N 1 0 363.462 2.487 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000467778248 560917126 /nfs/dbraw/zinc/91/71/26/560917126.db2.gz VDRZVUDINRMAEW-GFCCVEGCSA-N 1 0 357.476 2.412 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000468463282 560930545 /nfs/dbraw/zinc/93/05/45/560930545.db2.gz ZPBGADGQBSZKMK-INIZCTEOSA-N 1 0 365.430 2.462 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470174213 560976043 /nfs/dbraw/zinc/97/60/43/560976043.db2.gz IZAMQPFVRCSMFB-DTQAZKPQSA-N 1 0 360.458 2.094 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472618544 561031121 /nfs/dbraw/zinc/03/11/21/561031121.db2.gz NWEMLFGFXHTCEO-VXGBXAGGSA-N 1 0 366.393 2.052 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474149089 561066689 /nfs/dbraw/zinc/06/66/89/561066689.db2.gz GXHLTIBDBSCTFV-UHFFFAOYSA-N 1 0 364.446 2.096 20 5 FEBDRO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358415 561071969 /nfs/dbraw/zinc/07/19/69/561071969.db2.gz VRXVSQAFJDJOFA-OAHLLOKOSA-N 1 0 365.430 2.111 20 5 FEBDRO COc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000474962236 561086368 /nfs/dbraw/zinc/08/63/68/561086368.db2.gz HXRBZENVNMHUNC-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000475113181 561090834 /nfs/dbraw/zinc/09/08/34/561090834.db2.gz YQJOXELWFVPZQE-UHFFFAOYSA-N 1 0 359.382 2.216 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000475445099 561097341 /nfs/dbraw/zinc/09/73/41/561097341.db2.gz AZYKYSIOGYPUGB-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000475580457 561100330 /nfs/dbraw/zinc/10/03/30/561100330.db2.gz FJGBKHVHXJYIOH-CQSZACIVSA-N 1 0 364.398 2.148 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000476356866 561117461 /nfs/dbraw/zinc/11/74/61/561117461.db2.gz UOAIZLWIHMTRES-UHFFFAOYSA-N 1 0 363.443 2.032 20 5 FEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476812852 561128947 /nfs/dbraw/zinc/12/89/47/561128947.db2.gz DIAUCVXIXSAVIH-OAHLLOKOSA-N 1 0 359.430 2.215 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000477021441 561134441 /nfs/dbraw/zinc/13/44/41/561134441.db2.gz AIAANPGTIMVSSS-HOCLYGCPSA-N 1 0 371.441 2.453 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000532943705 562493292 /nfs/dbraw/zinc/49/32/92/562493292.db2.gz AMKDDVZINYCRPQ-CQSZACIVSA-N 1 0 362.430 2.209 20 5 FEBDRO COC(=O)CC1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000533390299 562507034 /nfs/dbraw/zinc/50/70/34/562507034.db2.gz NOMIMFGQJNGIJF-HNNXBMFYSA-N 1 0 366.414 2.190 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228008 562606569 /nfs/dbraw/zinc/60/65/69/562606569.db2.gz CRHPKOWRJSNLGJ-BBRMVZONSA-N 1 0 357.414 2.170 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181869548 568053502 /nfs/dbraw/zinc/05/35/02/568053502.db2.gz BOPMCOOGPBNWSU-GFCCVEGCSA-N 1 0 366.381 2.125 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577189 568058649 /nfs/dbraw/zinc/05/86/49/568058649.db2.gz ZTBNFZULYFRILE-CJNGLKHVSA-N 1 0 362.430 2.228 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000568776886 568205450 /nfs/dbraw/zinc/20/54/50/568205450.db2.gz PBWAJCWGAKBIOU-JOCQHMNTSA-N 1 0 358.402 2.185 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCOC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000181991352 568351540 /nfs/dbraw/zinc/35/15/40/568351540.db2.gz ATKSZAZUZKQCAX-SNVBAGLBSA-N 1 0 350.293 2.423 20 5 FEBDRO Cc1cccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000569625424 568410861 /nfs/dbraw/zinc/41/08/61/568410861.db2.gz IDWMBOQABVSTBX-UHFFFAOYSA-N 1 0 363.439 2.272 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000570625291 568491985 /nfs/dbraw/zinc/49/19/85/568491985.db2.gz MISSSKRDVAXYGC-YPMHNXCESA-N 1 0 351.403 2.344 20 5 FEBDRO CO[C@@H]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000570833073 568539207 /nfs/dbraw/zinc/53/92/07/568539207.db2.gz NDVHJCTUCNQZSB-KWCYVHTRSA-N 1 0 353.444 2.040 20 5 FEBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927235 568705965 /nfs/dbraw/zinc/70/59/65/568705965.db2.gz VLPTVGWMGLWFSH-JGVFFNPUSA-N 1 0 355.338 2.018 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925095 568717783 /nfs/dbraw/zinc/71/77/83/568717783.db2.gz CGYMMNKNEFJXQV-DXCKQFNASA-N 1 0 367.833 2.397 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568618 607530618 /nfs/dbraw/zinc/53/06/18/607530618.db2.gz BCIXZOQBMXUNCW-MEDUHNTESA-N 1 0 354.370 2.159 20 5 FEBDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705145 674506208 /nfs/dbraw/zinc/50/62/08/674506208.db2.gz OVQDBYBLSVXCRX-BDJLRTHQSA-N 1 0 366.805 2.201 20 5 FEBDRO CSC1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[NH+](C)CC1 ZINC000810880574 674566490 /nfs/dbraw/zinc/56/64/90/674566490.db2.gz LIOHFWWSUDXNHD-UHFFFAOYSA-N 1 0 371.434 2.056 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000811493170 674608703 /nfs/dbraw/zinc/60/87/03/674608703.db2.gz FUSMCLSTUIITHR-UHFFFAOYSA-N 1 0 353.227 2.426 20 5 FEBDRO CS(=O)(=O)NC1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811502013 674609150 /nfs/dbraw/zinc/60/91/50/674609150.db2.gz GDWNKUMETJDORM-UHFFFAOYSA-N 1 0 368.242 2.071 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812323597 674666167 /nfs/dbraw/zinc/66/61/67/674666167.db2.gz LMWYRQLUISXYRH-XQQFMLRXSA-N 1 0 367.833 2.426 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815014707 674896450 /nfs/dbraw/zinc/89/64/50/674896450.db2.gz YSFFDWQDWREGOE-VIFPVBQESA-N 1 0 365.814 2.007 20 5 FEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035290 674904250 /nfs/dbraw/zinc/90/42/50/674904250.db2.gz FKIWILSDEIRFOV-UHFFFAOYSA-N 1 0 367.830 2.350 20 5 FEBDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000041660691 670148642 /nfs/dbraw/zinc/14/86/42/670148642.db2.gz NXDFFEIXGNQERL-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@@H]1C[C@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570447001 670715421 /nfs/dbraw/zinc/71/54/21/670715421.db2.gz NWZJBOWWKNIHJF-ZIAGYGMSSA-N 1 0 356.444 2.163 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000092992946 670746917 /nfs/dbraw/zinc/74/69/17/670746917.db2.gz KLAPRCVSOPPMMW-GFCCVEGCSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108325594 670828675 /nfs/dbraw/zinc/82/86/75/670828675.db2.gz LPOQDODQZPUITG-GFCCVEGCSA-N 1 0 350.375 2.191 20 5 FEBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000573590649 671140461 /nfs/dbraw/zinc/14/04/61/671140461.db2.gz ZAESALXRAHQYDO-KBPBESRZSA-N 1 0 363.336 2.461 20 5 FEBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575248221 671307715 /nfs/dbraw/zinc/30/77/15/671307715.db2.gz COUFWTWXDVARFZ-ZBFHGGJFSA-N 1 0 352.822 2.417 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000577372898 671591556 /nfs/dbraw/zinc/59/15/56/671591556.db2.gz YKVOKGBCCVWUAH-LLVKDONJSA-N 1 0 353.806 2.076 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609556982 675926061 /nfs/dbraw/zinc/92/60/61/675926061.db2.gz IBURNAYHFXFBNZ-AWEZNQCLSA-N 1 0 350.419 2.275 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000579106296 671712714 /nfs/dbraw/zinc/71/27/14/671712714.db2.gz PGYNSDXJBRUEKG-ZIAGYGMSSA-N 1 0 355.460 2.308 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000609673164 675931933 /nfs/dbraw/zinc/93/19/33/675931933.db2.gz IYICUTURECTSQB-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000579946034 671772178 /nfs/dbraw/zinc/77/21/78/671772178.db2.gz MERNYOQMHGYHOS-YPMHNXCESA-N 1 0 351.403 2.249 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000579948238 671772439 /nfs/dbraw/zinc/77/24/39/671772439.db2.gz WCXQURUZBLUJEL-SIWZUTFBSA-N 1 0 368.796 2.423 20 5 FEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000580247982 671792496 /nfs/dbraw/zinc/79/24/96/671792496.db2.gz YFVDYQNVIDKDJB-UHFFFAOYSA-N 1 0 362.167 2.155 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000580542309 671816476 /nfs/dbraw/zinc/81/64/76/671816476.db2.gz QMUCSGGTDNWPGM-CYBMUJFWSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000580773900 671832155 /nfs/dbraw/zinc/83/21/55/671832155.db2.gz MQOWHVGHXBULHA-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000119620154 671904026 /nfs/dbraw/zinc/90/40/26/671904026.db2.gz JBMILXOZTVCWNH-UHFFFAOYSA-N 1 0 373.456 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000581938850 671951581 /nfs/dbraw/zinc/95/15/81/671951581.db2.gz XNJSREOXHUOZAY-CQSZACIVSA-N 1 0 352.412 2.332 20 5 FEBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610274693 675964280 /nfs/dbraw/zinc/96/42/80/675964280.db2.gz IRBLGUWCNDAMDO-UHFFFAOYSA-N 1 0 366.487 2.475 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000582411074 671999842 /nfs/dbraw/zinc/99/98/42/671999842.db2.gz PZUAQLQZWKODBP-QGZVFWFLSA-N 1 0 361.423 2.409 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000133484625 672111616 /nfs/dbraw/zinc/11/16/16/672111616.db2.gz JFZXTWCZWKSPCD-SNVBAGLBSA-N 1 0 370.837 2.279 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639258 672124921 /nfs/dbraw/zinc/12/49/21/672124921.db2.gz AIXAUCRMMOSJGJ-QWHCGFSZSA-N 1 0 353.423 2.169 20 5 FEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 ZINC000583871301 672134381 /nfs/dbraw/zinc/13/43/81/672134381.db2.gz ZHHGVIZIJATSBA-HOCLYGCPSA-N 1 0 351.378 2.092 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000584351872 672179743 /nfs/dbraw/zinc/17/97/43/672179743.db2.gz RYXOGCNOSHURJS-LBPRGKRZSA-N 1 0 363.748 2.131 20 5 FEBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000162464594 672304419 /nfs/dbraw/zinc/30/44/19/672304419.db2.gz HUZQTXQGMQIBAW-AWEZNQCLSA-N 1 0 352.391 2.440 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178867411 672396178 /nfs/dbraw/zinc/39/61/78/672396178.db2.gz GCADPCNPLAQSJJ-DZGCQCFKSA-N 1 0 351.403 2.227 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sccc1C(N)=O ZINC000180432182 672413565 /nfs/dbraw/zinc/41/35/65/672413565.db2.gz AOGZPIVUDJYGRE-VHSXEESVSA-N 1 0 362.411 2.433 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCC(OC)CC1 ZINC000587993829 672443856 /nfs/dbraw/zinc/44/38/56/672443856.db2.gz XOFYRAREJVNCSJ-UHFFFAOYSA-N 1 0 351.403 2.213 20 5 FEBDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000588973890 672497172 /nfs/dbraw/zinc/49/71/72/672497172.db2.gz KHANMDCOTNFHLF-AWEZNQCLSA-N 1 0 369.487 2.477 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000589930776 672548782 /nfs/dbraw/zinc/54/87/82/672548782.db2.gz LDUQFSJHEMSSHV-ZDUSSCGKSA-N 1 0 367.471 2.398 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045983 672556077 /nfs/dbraw/zinc/55/60/77/672556077.db2.gz ZJDCEWQOQCNUPU-NOZJJQNGSA-N 1 0 354.204 2.133 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590442727 672582822 /nfs/dbraw/zinc/58/28/22/672582822.db2.gz GUXMFSXNBNVGEV-MISXGVKJSA-N 1 0 353.806 2.178 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590566410 672590182 /nfs/dbraw/zinc/59/01/82/672590182.db2.gz HLBUBQNXUYTNNB-IINYFYTJSA-N 1 0 370.247 2.451 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590590634 672593917 /nfs/dbraw/zinc/59/39/17/672593917.db2.gz HGJRBNQNGFRSGE-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591749733 672707690 /nfs/dbraw/zinc/70/76/90/672707690.db2.gz JINCSHDINHILOH-CJBBJWSSSA-N 1 0 370.471 2.004 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000591770315 672709824 /nfs/dbraw/zinc/70/98/24/672709824.db2.gz RRWVPVSWNZQKJH-HOCLYGCPSA-N 1 0 350.415 2.273 20 5 FEBDRO CC1(C)C[NH2+][C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591933562 672723151 /nfs/dbraw/zinc/72/31/51/672723151.db2.gz CSOCKBLYYGZJAJ-LBPRGKRZSA-N 1 0 360.336 2.140 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000194727721 672766774 /nfs/dbraw/zinc/76/67/74/672766774.db2.gz ORPUXEFOKNYBLY-GFCCVEGCSA-N 1 0 359.423 2.133 20 5 FEBDRO CC1([NH3+])CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000592331475 672788407 /nfs/dbraw/zinc/78/84/07/672788407.db2.gz QPDDYALZRJZABR-UHFFFAOYSA-N 1 0 361.320 2.489 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000592362735 672791812 /nfs/dbraw/zinc/79/18/12/672791812.db2.gz KXRHAIWEXOSOJS-UHFFFAOYSA-N 1 0 363.386 2.041 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000592389401 672796273 /nfs/dbraw/zinc/79/62/73/672796273.db2.gz XVFBDZAMJIGJQB-XYPYZODXSA-N 1 0 361.851 2.292 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061665 672870249 /nfs/dbraw/zinc/87/02/49/672870249.db2.gz KYBDYGLEZPBEPE-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733735 672984885 /nfs/dbraw/zinc/98/48/85/672984885.db2.gz ILOSLUXJEKRPHS-IUODEOHRSA-N 1 0 355.460 2.295 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000594592631 673103881 /nfs/dbraw/zinc/10/38/81/673103881.db2.gz UVCOFJXAEAIBAG-BETUJISGSA-N 1 0 352.410 2.323 20 5 FEBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959475 673181136 /nfs/dbraw/zinc/18/11/36/673181136.db2.gz DKPJEQGGWKLWEZ-ORPWPGRKSA-N 1 0 354.428 2.145 20 5 FEBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000595077991 673191204 /nfs/dbraw/zinc/19/12/04/673191204.db2.gz MOBGFMAUHJUUPV-WMZOPIPTSA-N 1 0 350.415 2.075 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000595119288 673196999 /nfs/dbraw/zinc/19/69/99/673196999.db2.gz CPRVORVMHSSGQK-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1[N+](=O)[O-] ZINC000595121102 673197560 /nfs/dbraw/zinc/19/75/60/673197560.db2.gz VOYWQULQWGQTCD-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294902 673217833 /nfs/dbraw/zinc/21/78/33/673217833.db2.gz UHYSGJZAAUYCJR-JSGCOSHPSA-N 1 0 353.394 2.097 20 5 FEBDRO CO[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000595330327 673225890 /nfs/dbraw/zinc/22/58/90/673225890.db2.gz JHBADRZZMRWDDA-KBXCAEBGSA-N 1 0 350.415 2.490 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1C ZINC000595346991 673229268 /nfs/dbraw/zinc/22/92/68/673229268.db2.gz ZYINIHQHRDPOFC-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462579348 673265151 /nfs/dbraw/zinc/26/51/51/673265151.db2.gz VRCHWLDEYAFFNO-OAHLLOKOSA-N 1 0 367.471 2.446 20 5 FEBDRO COC[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000595562893 673267326 /nfs/dbraw/zinc/26/73/26/673267326.db2.gz MWEYGRAYVVKGGZ-BRWVUGGUSA-N 1 0 352.431 2.362 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595597760 673271512 /nfs/dbraw/zinc/27/15/12/673271512.db2.gz UWXDIGFPVGYCCU-KRWDZBQOSA-N 1 0 350.415 2.261 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731570779 673334600 /nfs/dbraw/zinc/33/46/00/673334600.db2.gz RZIXIQNGOOXFFF-UHFFFAOYSA-N 1 0 354.476 2.026 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]2C2CC2)c1 ZINC000538116466 673422449 /nfs/dbraw/zinc/42/24/49/673422449.db2.gz LFHJKHQHOBUEHF-CVEARBPZSA-N 1 0 353.444 2.041 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)cn1 ZINC000597090824 673446066 /nfs/dbraw/zinc/44/60/66/673446066.db2.gz SFMBKCWIISOXGR-UHFFFAOYSA-N 1 0 367.797 2.233 20 5 FEBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCCO1 ZINC000538707296 673453422 /nfs/dbraw/zinc/45/34/22/673453422.db2.gz ROGDJYLOXXZKGK-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000734310014 673460023 /nfs/dbraw/zinc/46/00/23/673460023.db2.gz TVLMHIUFWGMSLU-INIZCTEOSA-N 1 0 363.487 2.003 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000538940056 673467251 /nfs/dbraw/zinc/46/72/51/673467251.db2.gz FONGZMUPXRPUKX-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000539480941 673492425 /nfs/dbraw/zinc/49/24/25/673492425.db2.gz CNEKCZTYTCQUBT-KGLIPLIRSA-N 1 0 372.878 2.164 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619391 673493452 /nfs/dbraw/zinc/49/34/52/673493452.db2.gz GQJMVMCUQHUAEG-HNNXBMFYSA-N 1 0 351.378 2.061 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693056 673499662 /nfs/dbraw/zinc/49/96/62/673499662.db2.gz ADLSFRBSWQXUGP-HOTGVXAUSA-N 1 0 365.455 2.009 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000539727920 673503146 /nfs/dbraw/zinc/50/31/46/673503146.db2.gz DBWMQNZAGGIDCE-WMZOPIPTSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000540021652 673519911 /nfs/dbraw/zinc/51/99/11/673519911.db2.gz VGPOVCREMNAHTG-MNOVXSKESA-N 1 0 370.247 2.451 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000540125970 673524943 /nfs/dbraw/zinc/52/49/43/673524943.db2.gz SQLJSYLDOJIDAH-LBPRGKRZSA-N 1 0 351.794 2.014 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598377697 673563944 /nfs/dbraw/zinc/56/39/44/673563944.db2.gz ZLFLKCWJJBDCMP-LBPRGKRZSA-N 1 0 353.806 2.231 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000598545906 673581309 /nfs/dbraw/zinc/58/13/09/673581309.db2.gz RUVVCUUQCZMURN-AWEZNQCLSA-N 1 0 367.471 2.256 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598608124 673589480 /nfs/dbraw/zinc/58/94/80/673589480.db2.gz LIKNAHNRKLHULH-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO COC(=O)c1ccnc(N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000598614867 673590836 /nfs/dbraw/zinc/59/08/36/673590836.db2.gz GIHICAOGZLSTQK-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598619343 673591287 /nfs/dbraw/zinc/59/12/87/673591287.db2.gz OFRPPRZJNMHDKL-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668569 673596402 /nfs/dbraw/zinc/59/64/02/673596402.db2.gz ACZVYJDXVOTNAC-ABAIWWIYSA-N 1 0 368.231 2.240 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544407 673690124 /nfs/dbraw/zinc/69/01/24/673690124.db2.gz GAHCWBWFVYNKJD-MRXNPFEDSA-N 1 0 350.415 2.357 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000544604188 673720355 /nfs/dbraw/zinc/72/03/55/673720355.db2.gz LAQGWOFTJXXGDZ-CYBMUJFWSA-N 1 0 355.460 2.307 20 5 FEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599918919 673727890 /nfs/dbraw/zinc/72/78/90/673727890.db2.gz SZWVETYJRWUUIT-OAHLLOKOSA-N 1 0 354.838 2.430 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH+](CCO)CCO)ccc1Oc1ccc(F)cc1 ZINC000600179131 673746717 /nfs/dbraw/zinc/74/67/17/673746717.db2.gz JJRMSAZXVKIXCY-UHFFFAOYSA-N 1 0 350.346 2.313 20 5 FEBDRO Cc1sc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600410803 673765324 /nfs/dbraw/zinc/76/53/24/673765324.db2.gz NPOCBNSQBVZSCG-UHFFFAOYSA-N 1 0 353.444 2.292 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467812 673771514 /nfs/dbraw/zinc/77/15/14/673771514.db2.gz CULWIFPRLTUGKK-MGPQQGTHSA-N 1 0 355.460 2.240 20 5 FEBDRO CCOC(=O)c1ccnc(N2CCC(CC)([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000601229654 673834502 /nfs/dbraw/zinc/83/45/02/673834502.db2.gz WWEZTLOYALKIKI-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601272048 673837136 /nfs/dbraw/zinc/83/71/36/673837136.db2.gz CNTQTRSBPIOGRI-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601339454 673844905 /nfs/dbraw/zinc/84/49/05/673844905.db2.gz YJALIRIALVRNAN-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601341572 673845214 /nfs/dbraw/zinc/84/52/14/673845214.db2.gz GJKONPBMZJBQAI-QWHCGFSZSA-N 1 0 373.500 2.365 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372461 673850472 /nfs/dbraw/zinc/85/04/72/673850472.db2.gz YTWQAANKXQWOMY-VXGBXAGGSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375555 673851237 /nfs/dbraw/zinc/85/12/37/673851237.db2.gz XPJRTNURKPBGLM-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000601383443 673852756 /nfs/dbraw/zinc/85/27/56/673852756.db2.gz PNLLLZHKXCGNAT-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO Cc1c(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc(Br)cc1[N+](=O)[O-] ZINC000601560857 673881782 /nfs/dbraw/zinc/88/17/82/673881782.db2.gz UJUPEZIVJAVGGU-UWVGGRQHSA-N 1 0 355.192 2.244 20 5 FEBDRO C[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000602434313 673906249 /nfs/dbraw/zinc/90/62/49/673906249.db2.gz UZNNCDOBNNISRG-NXEZZACHSA-N 1 0 356.220 2.475 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602509685 673907095 /nfs/dbraw/zinc/90/70/95/673907095.db2.gz HPZCCTAOBJSUEB-XJKSGUPXSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555099 673907946 /nfs/dbraw/zinc/90/79/46/673907946.db2.gz OMSUMOZMJZDQDP-AAEUAGOBSA-N 1 0 353.444 2.093 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602611835 673908679 /nfs/dbraw/zinc/90/86/79/673908679.db2.gz GUEFSEUDZHPVCT-OLZOCXBDSA-N 1 0 350.419 2.136 20 5 FEBDRO COC(=O)CCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602660092 673908972 /nfs/dbraw/zinc/90/89/72/673908972.db2.gz YFLOHDWVOCZVHV-UHFFFAOYSA-N 1 0 350.419 2.282 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602892504 673913033 /nfs/dbraw/zinc/91/30/33/673913033.db2.gz SBKKUPGSWVZPPR-WBVHZDCISA-N 1 0 350.415 2.403 20 5 FEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000603389244 673928898 /nfs/dbraw/zinc/92/88/98/673928898.db2.gz ASFYDVXPCCINON-VXGBXAGGSA-N 1 0 361.489 2.397 20 5 FEBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000548453581 673959956 /nfs/dbraw/zinc/95/99/56/673959956.db2.gz UONZFYDOXDESCY-OAHLLOKOSA-N 1 0 351.451 2.131 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000818178958 675202901 /nfs/dbraw/zinc/20/29/01/675202901.db2.gz VTWGODNIRFABOO-MRXNPFEDSA-N 1 0 361.427 2.157 20 5 FEBDRO C[C@@H]1CC2(CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1)CC[NH2+]CC2 ZINC000818291704 675211471 /nfs/dbraw/zinc/21/14/71/675211471.db2.gz BQXPEQROJJTDFF-GFCCVEGCSA-N 1 0 351.378 2.103 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000819110167 675261351 /nfs/dbraw/zinc/26/13/51/675261351.db2.gz ACGWQVPRWJDYGQ-KRWDZBQOSA-N 1 0 353.419 2.003 20 5 FEBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819184081 675267697 /nfs/dbraw/zinc/26/76/97/675267697.db2.gz AIHJVVAGKHARGP-SWLSCSKDSA-N 1 0 353.419 2.379 20 5 FEBDRO Cc1cc(Cl)nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000819289558 675277622 /nfs/dbraw/zinc/27/76/22/675277622.db2.gz DYFXCZYEEINOGQ-CQSZACIVSA-N 1 0 351.790 2.481 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000826658457 675698273 /nfs/dbraw/zinc/69/82/73/675698273.db2.gz WWKMHBBRBVULJJ-UHFFFAOYSA-N 1 0 368.865 2.312 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000827500956 675760911 /nfs/dbraw/zinc/76/09/11/675760911.db2.gz OYORSDZNXVHRAN-ZDUSSCGKSA-N 1 0 368.865 2.312 20 5 FEBDRO Cn1c(C(=O)NCC2([NH+]3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000603612691 675800501 /nfs/dbraw/zinc/80/05/01/675800501.db2.gz JSBHVRHUMSCVNZ-UHFFFAOYSA-N 1 0 352.460 2.025 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000619476570 676379335 /nfs/dbraw/zinc/37/93/35/676379335.db2.gz MSRFFEFBKFLRLL-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO COC(=O)[C@H]1[C@@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000839606783 680765977 /nfs/dbraw/zinc/76/59/77/680765977.db2.gz RPGHMVDNDJBXHQ-IAZYJMLFSA-N 1 0 355.188 2.208 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217668 679948954 /nfs/dbraw/zinc/94/89/54/679948954.db2.gz FWSXMKLROQKCDW-SUYBPPKGSA-N 1 0 367.833 2.397 20 5 FEBDRO CCO[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831743310 680036514 /nfs/dbraw/zinc/03/65/14/680036514.db2.gz GDJQFQKTHBEFJE-NSHDSACASA-N 1 0 374.235 2.054 20 5 FEBDRO CCO[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831772263 680041034 /nfs/dbraw/zinc/04/10/34/680041034.db2.gz YTNNCWJQALKQFA-TZMCWYRMSA-N 1 0 355.460 2.158 20 5 FEBDRO CN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000750614855 680124426 /nfs/dbraw/zinc/12/44/26/680124426.db2.gz JRKKJWVWHXSEIO-UHFFFAOYSA-N 1 0 363.439 2.477 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751252960 680163561 /nfs/dbraw/zinc/16/35/61/680163561.db2.gz CNIYWODVOAZOAZ-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1cc(F)cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000753101266 680275011 /nfs/dbraw/zinc/27/50/11/680275011.db2.gz GJHIIFVGHCFTJM-UHFFFAOYSA-N 1 0 353.394 2.225 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC000834853588 680277643 /nfs/dbraw/zinc/27/76/43/680277643.db2.gz KDHLTXSEUILPQB-LBPRGKRZSA-N 1 0 353.806 2.076 20 5 FEBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000753917126 680324627 /nfs/dbraw/zinc/32/46/27/680324627.db2.gz IZHGCYFQVQABCX-UHFFFAOYSA-N 1 0 352.410 2.479 20 5 FEBDRO Cc1nsc(C)c1C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964588 680394551 /nfs/dbraw/zinc/39/45/51/680394551.db2.gz PZQMUPGCNKKJPT-GDBMZVCRSA-N 1 0 366.487 2.096 20 5 FEBDRO C[N@H+](CCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000836127906 680424732 /nfs/dbraw/zinc/42/47/32/680424732.db2.gz QTTXLWBWGVQFJU-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(Cn3cc(Br)c([N+](=O)[O-])n3)C2)CC1 ZINC000755778923 680435112 /nfs/dbraw/zinc/43/51/12/680435112.db2.gz GUPAXMGCXHTPEV-LBPRGKRZSA-N 1 0 372.267 2.175 20 5 FEBDRO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430688 680447746 /nfs/dbraw/zinc/44/77/46/680447746.db2.gz IDQVCWIZCDADJG-HZPDHXFCSA-N 1 0 351.834 2.428 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000836367470 680458613 /nfs/dbraw/zinc/45/86/13/680458613.db2.gz DBIUYWIGCUELTE-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](Cc2nccs2)CC2CC2)CC1 ZINC001039485943 680463969 /nfs/dbraw/zinc/46/39/69/680463969.db2.gz VQONNHGQSBTXJH-HUUCEWRRSA-N 1 0 364.471 2.011 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599889 680487927 /nfs/dbraw/zinc/48/79/27/680487927.db2.gz NXCDEPPRRCFAMF-LLVKDONJSA-N 1 0 356.810 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000836790754 680514627 /nfs/dbraw/zinc/51/46/27/680514627.db2.gz KJVFPYTXHLUUGX-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841549729 680895942 /nfs/dbraw/zinc/89/59/42/680895942.db2.gz QOTGNWLAVWFOOU-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO C[NH+](C)CCNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841748716 680910258 /nfs/dbraw/zinc/91/02/58/680910258.db2.gz BLYVDEUOCYPUGS-LLVKDONJSA-N 1 0 352.288 2.198 20 5 FEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842006772 680921521 /nfs/dbraw/zinc/92/15/21/680921521.db2.gz RSNURAANGLTPOQ-IUCAKERBSA-N 1 0 371.235 2.161 20 5 FEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000842162774 680929463 /nfs/dbraw/zinc/92/94/63/680929463.db2.gz ICPJOXLEMSUSNT-RYUDHWBXSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842700166 680960325 /nfs/dbraw/zinc/96/03/25/680960325.db2.gz VPBFXJFNZGRURS-QWRGUYRKSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842747061 680963907 /nfs/dbraw/zinc/96/39/07/680963907.db2.gz HIQAZUMJFAZZEJ-NSHDSACASA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000842776771 680965870 /nfs/dbraw/zinc/96/58/70/680965870.db2.gz OXPKGRNRMFMPNE-GFCCVEGCSA-N 1 0 361.851 2.175 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000842861038 680971904 /nfs/dbraw/zinc/97/19/04/680971904.db2.gz ZOJPPCUOUIAXDZ-NSHDSACASA-N 1 0 361.851 2.449 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)c1 ZINC000843115188 680988630 /nfs/dbraw/zinc/98/86/30/680988630.db2.gz RPRKXHMZIWKUHV-PXAZEXFGSA-N 1 0 365.817 2.117 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](C)[NH2+]1 ZINC000843344299 680998962 /nfs/dbraw/zinc/99/89/62/680998962.db2.gz UNRQADFQKDPGJD-HTQZYQBOSA-N 1 0 360.183 2.319 20 5 FEBDRO [NH3+]CCCOC1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000843354370 680999242 /nfs/dbraw/zinc/99/92/42/680999242.db2.gz BWKICIUEVFSPHD-UHFFFAOYSA-N 1 0 370.837 2.017 20 5 FEBDRO C[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401094 681001846 /nfs/dbraw/zinc/00/18/46/681001846.db2.gz GNNIZFPNLBVDCV-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843481669 681006178 /nfs/dbraw/zinc/00/61/78/681006178.db2.gz MLOAYUGLJLXIOK-PHIMTYICSA-N 1 0 355.797 2.388 20 5 FEBDRO O=C(NCCC[NH2+]C1CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843514478 681007731 /nfs/dbraw/zinc/00/77/31/681007731.db2.gz XTSBJIKXPKBZJH-UHFFFAOYSA-N 1 0 360.183 2.368 20 5 FEBDRO C[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000771509777 681057874 /nfs/dbraw/zinc/05/78/74/681057874.db2.gz LHMOBQKMSBAHES-SECBINFHSA-N 1 0 351.432 2.306 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000846232736 681206752 /nfs/dbraw/zinc/20/67/52/681206752.db2.gz SXOYYNYFZLKQBB-PWSUYJOCSA-N 1 0 361.851 2.386 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000932712236 681294720 /nfs/dbraw/zinc/29/47/20/681294720.db2.gz MWSBKVFXTKKNDQ-UHFFFAOYSA-N 1 0 358.801 2.383 20 5 FEBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928619 681329990 /nfs/dbraw/zinc/32/99/90/681329990.db2.gz PRSCDATVXWBKLG-ZBFHGGJFSA-N 1 0 350.444 2.311 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933714017 681456528 /nfs/dbraw/zinc/45/65/28/681456528.db2.gz SYVHMEGFKZGOKC-SNVBAGLBSA-N 1 0 356.308 2.090 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933738600 681460472 /nfs/dbraw/zinc/46/04/72/681460472.db2.gz JKPAKIFXPOQVKQ-BZNIZROVSA-N 1 0 352.822 2.070 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933799517 681468734 /nfs/dbraw/zinc/46/87/34/681468734.db2.gz YXYBSYFRNANZIJ-VIFPVBQESA-N 1 0 358.801 2.383 20 5 FEBDRO CS[C@@H](C)CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044494 681500721 /nfs/dbraw/zinc/50/07/21/681500721.db2.gz BSDBYMRHMIMPRL-LBPRGKRZSA-N 1 0 367.475 2.220 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1F ZINC000848508645 681566584 /nfs/dbraw/zinc/56/65/84/681566584.db2.gz OVRGPGRENOEJOH-ZIAGYGMSSA-N 1 0 371.434 2.338 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848755612 681615875 /nfs/dbraw/zinc/61/58/75/681615875.db2.gz XZEWJRJFYSJDDJ-AOOOYVTPSA-N 1 0 352.347 2.042 20 5 FEBDRO COC[C@@H](C)NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849055807 681648737 /nfs/dbraw/zinc/64/87/37/681648737.db2.gz HRXFCTNVMUHBRO-SECBINFHSA-N 1 0 363.340 2.174 20 5 FEBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000779202549 681688396 /nfs/dbraw/zinc/68/83/96/681688396.db2.gz MTWWZJZGLITYKL-UHFFFAOYSA-N 1 0 355.778 2.262 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000935464494 681756338 /nfs/dbraw/zinc/75/63/38/681756338.db2.gz ZSSVYCLBDVOPLR-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000780715352 681864960 /nfs/dbraw/zinc/86/49/60/681864960.db2.gz JRMAVTBONAJIKC-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000913977383 685490939 /nfs/dbraw/zinc/49/09/39/685490939.db2.gz LNNABNIARGTCNM-AWEZNQCLSA-N 1 0 360.819 2.443 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000781651823 681957942 /nfs/dbraw/zinc/95/79/42/681957942.db2.gz YJQLQMVFHWMBGX-WCQYABFASA-N 1 0 350.375 2.035 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000783637058 682161238 /nfs/dbraw/zinc/16/12/38/682161238.db2.gz CJOCHLMPUXNQQU-BZNIZROVSA-N 1 0 366.805 2.058 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000917656173 685533592 /nfs/dbraw/zinc/53/35/92/685533592.db2.gz XOSXWZVGGJKKOP-NEPJUHHUSA-N 1 0 373.862 2.462 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C[NH3+])C(F)(F)F ZINC000852762003 682338687 /nfs/dbraw/zinc/33/86/87/682338687.db2.gz FJIOHJWFTVSQLX-SNVBAGLBSA-N 1 0 354.716 2.008 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853688975 682456463 /nfs/dbraw/zinc/45/64/63/682456463.db2.gz VOZVCDXASRCRQM-UHFFFAOYSA-N 1 0 350.375 2.194 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332846 682537781 /nfs/dbraw/zinc/53/77/81/682537781.db2.gz KDHDPARQBUPRPI-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000788963690 682570372 /nfs/dbraw/zinc/57/03/72/682570372.db2.gz IUYZAMMFWSSBSJ-GFCCVEGCSA-N 1 0 372.468 2.085 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790661115 682692874 /nfs/dbraw/zinc/69/28/74/682692874.db2.gz BEDVJHMPEWSSQI-GFCCVEGCSA-N 1 0 373.812 2.157 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857764815 682910886 /nfs/dbraw/zinc/91/08/86/682910886.db2.gz BFIFPTXUOQBNBR-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575434 682980980 /nfs/dbraw/zinc/98/09/80/682980980.db2.gz BJZWIVGSWBZWEO-UFGOTCBOSA-N 1 0 368.821 2.080 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cs1 ZINC000859275854 683070967 /nfs/dbraw/zinc/07/09/67/683070967.db2.gz CXTYBYRGVULENB-GFCCVEGCSA-N 1 0 359.473 2.342 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000926150636 683083690 /nfs/dbraw/zinc/08/36/90/683083690.db2.gz MUHNHUIMTCXUEU-YOEHRIQHSA-N 1 0 368.455 2.163 20 5 FEBDRO O=C(CCN1CC[NH+](CCCF)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000860008153 683186708 /nfs/dbraw/zinc/18/67/08/683186708.db2.gz PBAXECLZEBDZOP-UHFFFAOYSA-N 1 0 356.373 2.040 20 5 FEBDRO C[C@@H](C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097970 683201822 /nfs/dbraw/zinc/20/18/22/683201822.db2.gz XFAMFPGCJCKJHL-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000797528818 683257273 /nfs/dbraw/zinc/25/72/73/683257273.db2.gz XIVNWGCAVPXLGI-IDCJVQTKSA-N 1 0 350.415 2.287 20 5 FEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224351 683324114 /nfs/dbraw/zinc/32/41/14/683324114.db2.gz JVXYJZBKFIZDAL-UHFFFAOYSA-N 1 0 367.830 2.253 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798297877 683332811 /nfs/dbraw/zinc/33/28/11/683332811.db2.gz SZZJVDIUJCJAIR-ZJUUUORDSA-N 1 0 371.235 2.355 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928092985 683381811 /nfs/dbraw/zinc/38/18/11/683381811.db2.gz JKIZQOMPYCIGEF-LSDHHAIUSA-N 1 0 369.874 2.487 20 5 FEBDRO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351986 683395435 /nfs/dbraw/zinc/39/54/35/683395435.db2.gz LIKJBBYRSMZKKZ-GUYCJALGSA-N 1 0 352.387 2.178 20 5 FEBDRO CCO[C@H](CNC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000921334598 683429215 /nfs/dbraw/zinc/42/92/15/683429215.db2.gz OSAFFUCAWLREJV-HZPDHXFCSA-N 1 0 352.435 2.312 20 5 FEBDRO C[C@H]1[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928456113 683455132 /nfs/dbraw/zinc/45/51/32/683455132.db2.gz NTEWBRURSPVMHZ-CABZTGNLSA-N 1 0 361.320 2.358 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455803 683455219 /nfs/dbraw/zinc/45/52/19/683455219.db2.gz UKMFVGGJMKPOCH-SCZZXKLOSA-N 1 0 359.329 2.027 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000862796645 683635221 /nfs/dbraw/zinc/63/52/21/683635221.db2.gz SCCSHCXKACBCRS-LBPRGKRZSA-N 1 0 350.375 2.273 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930304583 683708037 /nfs/dbraw/zinc/70/80/37/683708037.db2.gz HWVSPOCUQZXJEI-CQSZACIVSA-N 1 0 356.220 2.315 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000922707908 683770016 /nfs/dbraw/zinc/77/00/16/683770016.db2.gz FWYFPJLZIXXGCY-NSHDSACASA-N 1 0 363.336 2.425 20 5 FEBDRO COc1cc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000922752604 683777412 /nfs/dbraw/zinc/77/74/12/683777412.db2.gz SSKKAOAYHWVMJW-CYBMUJFWSA-N 1 0 351.325 2.281 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c([N+](=O)[O-])cc1OC ZINC000865674393 684012957 /nfs/dbraw/zinc/01/29/57/684012957.db2.gz LPRSDCXELAPFPH-LBPRGKRZSA-N 1 0 354.403 2.491 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866819181 684160185 /nfs/dbraw/zinc/16/01/85/684160185.db2.gz DAEXJDSUTPCGAL-DGCLKSJQSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1F ZINC000867061158 684204351 /nfs/dbraw/zinc/20/43/51/684204351.db2.gz SYXKMYLYQSGNNN-UHFFFAOYSA-N 1 0 373.450 2.395 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867620850 684334227 /nfs/dbraw/zinc/33/42/27/684334227.db2.gz PYUHNNUBUSXPKN-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1C ZINC000923732034 684341861 /nfs/dbraw/zinc/34/18/61/684341861.db2.gz PWRIUWSAJNOGEK-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc([N+](=O)[O-])c1F ZINC000867681497 684351030 /nfs/dbraw/zinc/35/10/30/684351030.db2.gz YTDYZKISHMFMSH-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000868519614 684505066 /nfs/dbraw/zinc/50/50/66/684505066.db2.gz CYEONUUGRNQLHB-BXUZGUMPSA-N 1 0 368.231 2.062 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869777490 684654526 /nfs/dbraw/zinc/65/45/26/684654526.db2.gz IBHFRYAMYHPLHP-NSHDSACASA-N 1 0 355.822 2.132 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665108 685001144 /nfs/dbraw/zinc/00/11/44/685001144.db2.gz OVZHHLKBYKZEDN-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1c(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000873047700 685058757 /nfs/dbraw/zinc/05/87/57/685058757.db2.gz ZTYHSYZGUXZQHF-UHFFFAOYSA-N 1 0 364.423 2.475 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874829715 685677075 /nfs/dbraw/zinc/67/70/75/685677075.db2.gz NANJODXHBXUFSF-KGLIPLIRSA-N 1 0 350.394 2.109 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877277097 686347077 /nfs/dbraw/zinc/34/70/77/686347077.db2.gz FCSOTWOWFZYXPY-KGLIPLIRSA-N 1 0 368.231 2.253 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877278052 686347719 /nfs/dbraw/zinc/34/77/19/686347719.db2.gz KOTCFUGVUQYZNZ-CHWSQXEVSA-N 1 0 353.806 2.370 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000877360067 686362557 /nfs/dbraw/zinc/36/25/57/686362557.db2.gz VUTLCBDXVWOMBQ-WDEREUQCSA-N 1 0 361.320 2.121 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735596 686897045 /nfs/dbraw/zinc/89/70/45/686897045.db2.gz ZXBUTBOOXNPYCP-YOEHRIQHSA-N 1 0 350.415 2.416 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134438 687004027 /nfs/dbraw/zinc/00/40/27/687004027.db2.gz MVJXRFHZWZTOOH-GJZGRUSLSA-N 1 0 352.822 2.355 20 5 FEBDRO C[C@@H]1[C@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000881864773 687238357 /nfs/dbraw/zinc/23/83/57/687238357.db2.gz APELCWBMZCGOMT-BXKDBHETSA-N 1 0 356.220 2.314 20 5 FEBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC[N@@H+](CCO)CC1 ZINC000881923557 687262032 /nfs/dbraw/zinc/26/20/32/687262032.db2.gz BZWDJJHABBXOEC-UHFFFAOYSA-N 1 0 362.199 2.001 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000882487600 687375828 /nfs/dbraw/zinc/37/58/28/687375828.db2.gz GVZKWZJSMNWZHG-GFCCVEGCSA-N 1 0 356.220 2.110 20 5 FEBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000882816361 687501462 /nfs/dbraw/zinc/50/14/62/687501462.db2.gz IQIKZSMIFBYBNT-UHFFFAOYSA-N 1 0 350.394 2.044 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951473 687972537 /nfs/dbraw/zinc/97/25/37/687972537.db2.gz DZAJHFXVPBFUKW-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884958810 687975728 /nfs/dbraw/zinc/97/57/28/687975728.db2.gz DXGVFBAERVJNJD-RYUDHWBXSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000885886059 688178259 /nfs/dbraw/zinc/17/82/59/688178259.db2.gz RACQFDYTCZNXNW-GFCCVEGCSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886804565 688315581 /nfs/dbraw/zinc/31/55/81/688315581.db2.gz ZTOBCUZDNOJJOD-CQSZACIVSA-N 1 0 361.320 2.170 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000886901090 688337088 /nfs/dbraw/zinc/33/70/88/688337088.db2.gz PNTVFVZTMAGQIT-KRWDZBQOSA-N 1 0 367.471 2.366 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889745029 688814899 /nfs/dbraw/zinc/81/48/99/688814899.db2.gz QWDOLJQJEXRCDC-OLZOCXBDSA-N 1 0 371.796 2.059 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751767 688817036 /nfs/dbraw/zinc/81/70/36/688817036.db2.gz SBZRYNLAPQVGJO-CABCVRRESA-N 1 0 367.833 2.228 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)cc2N1 ZINC000895573437 689738023 /nfs/dbraw/zinc/73/80/23/689738023.db2.gz YICMMIVYCCZHAV-WBMJQRKESA-N 1 0 362.455 2.471 20 5 FEBDRO Cc1c(Br)c(N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC000896913566 689949560 /nfs/dbraw/zinc/94/95/60/689949560.db2.gz UCRQYQOGTMTTQH-YGRLFVJLSA-N 1 0 355.236 2.449 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900192370 690481982 /nfs/dbraw/zinc/48/19/82/690481982.db2.gz MTTLKYIYDWOKEA-UHFFFAOYSA-N 1 0 372.828 2.145 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@]2(C)C1 ZINC000900751632 690557382 /nfs/dbraw/zinc/55/73/82/690557382.db2.gz RMCFCUDACOIDAV-BMIGLBTASA-N 1 0 368.231 2.381 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902904417 690818615 /nfs/dbraw/zinc/81/86/15/690818615.db2.gz KJAZXUQOAJQSBQ-ZIAGYGMSSA-N 1 0 354.407 2.435 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154084 690857135 /nfs/dbraw/zinc/85/71/35/690857135.db2.gz WXSHTNCHCYVJOG-CSMYWGQOSA-N 1 0 354.403 2.075 20 5 FEBDRO C[NH2+]CCN(C(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000903592146 690934420 /nfs/dbraw/zinc/93/44/20/690934420.db2.gz WLZCBBRNIWUUMO-UHFFFAOYSA-N 1 0 369.365 2.232 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1nc2c(s1)CCC2 ZINC000905570032 691143541 /nfs/dbraw/zinc/14/35/41/691143541.db2.gz VNHWDRWZVJHABU-GFCCVEGCSA-N 1 0 363.439 2.112 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000905598156 691149119 /nfs/dbraw/zinc/14/91/19/691149119.db2.gz UQVOTYUXUBSGGR-DOTOQJQBSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905935900 691199428 /nfs/dbraw/zinc/19/94/28/691199428.db2.gz VRNAYAUKQFSCDK-QGZVFWFLSA-N 1 0 350.415 2.104 20 5 FEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC000907642269 691530279 /nfs/dbraw/zinc/53/02/79/691530279.db2.gz JTANYEZWKUMWJU-UHFFFAOYSA-N 1 0 368.333 2.416 20 5 FEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@H]2C ZINC001164863600 720971145 /nfs/dbraw/zinc/97/11/45/720971145.db2.gz XHUIFELGLJTAJK-LBPRGKRZSA-N 1 0 359.434 2.190 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(F)c1 ZINC001164865828 721074405 /nfs/dbraw/zinc/07/44/05/721074405.db2.gz AICZNBOWOJKWOE-HZPDHXFCSA-N 1 0 373.388 2.004 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901680 721511704 /nfs/dbraw/zinc/51/17/04/721511704.db2.gz XYBFFZRJSFCJBX-WBVHZDCISA-N 1 0 358.373 2.471 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164931000 721889010 /nfs/dbraw/zinc/88/90/10/721889010.db2.gz DYLNFQHOSTXXTN-ROUUACIJSA-N 1 0 355.442 2.358 20 5 FEBDRO COc1c(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cccc1[N+](=O)[O-] ZINC000477081828 888764827 /nfs/dbraw/zinc/76/48/27/888764827.db2.gz AOWTZCAZMLGJQT-UHFFFAOYSA-N 1 0 359.386 2.319 20 5 FEBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000472657776 889515586 /nfs/dbraw/zinc/51/55/86/889515586.db2.gz AMVBTLMPEDDOCW-ZDUSSCGKSA-N 1 0 360.418 2.083 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000023745360 539720228 /nfs/dbraw/zinc/72/02/28/539720228.db2.gz UOKPFQVKDWWAGZ-UHFFFAOYSA-N 1 0 372.491 2.377 20 5 FEBDRO O=C(CN1CC[NH+](C2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000027120586 539801139 /nfs/dbraw/zinc/80/11/39/539801139.db2.gz JBGIOXFWPGQNCC-UHFFFAOYSA-N 1 0 358.442 2.044 20 5 FEBDRO CCOc1cc(C(=O)NC2CC[NH+](CC)CC2)c([N+](=O)[O-])cc1OC ZINC000029607512 539858677 /nfs/dbraw/zinc/85/86/77/539858677.db2.gz UEMRYEOHGMTWHR-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744976 540225339 /nfs/dbraw/zinc/22/53/39/540225339.db2.gz SZNXUOPOTDUQME-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000046939450 540277477 /nfs/dbraw/zinc/27/74/77/540277477.db2.gz JTFOJERLVWUEMF-UHFFFAOYSA-N 1 0 357.414 2.313 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000048314816 540356813 /nfs/dbraw/zinc/35/68/13/540356813.db2.gz JGNSIHGCXUIQEG-AWEZNQCLSA-N 1 0 360.414 2.163 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000049131547 540381997 /nfs/dbraw/zinc/38/19/97/540381997.db2.gz OQUVFWFBHVNDLI-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052247562 540460398 /nfs/dbraw/zinc/46/03/98/540460398.db2.gz KUTUNPVTBQHOQM-ZDUSSCGKSA-N 1 0 370.475 2.166 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000053144523 540513284 /nfs/dbraw/zinc/51/32/84/540513284.db2.gz UBVYHNOSXYJULV-HNNXBMFYSA-N 1 0 371.441 2.340 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1OC ZINC000055719124 540672604 /nfs/dbraw/zinc/67/26/04/540672604.db2.gz JBDWSKUMLVLXEB-AWEZNQCLSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057165608 540774465 /nfs/dbraw/zinc/77/44/65/540774465.db2.gz CCXFULFLTDLWDO-UHFFFAOYSA-N 1 0 355.398 2.088 20 5 FEBDRO COc1cccc(OC)c1OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000063525156 541172001 /nfs/dbraw/zinc/17/20/01/541172001.db2.gz CVCKUELQDCEKLC-HNNXBMFYSA-N 1 0 362.382 2.142 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000066001236 541277158 /nfs/dbraw/zinc/27/71/58/541277158.db2.gz JFUPPLYOTGDDOV-UHFFFAOYSA-N 1 0 373.456 2.310 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000066484809 541325720 /nfs/dbraw/zinc/32/57/20/541325720.db2.gz VZJLZLZQCSGNPP-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067138598 541423035 /nfs/dbraw/zinc/42/30/35/541423035.db2.gz CUZDOVVIMJUWIH-AWEZNQCLSA-N 1 0 374.445 2.416 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+]1CCC(C)CC1 ZINC000067148471 541425579 /nfs/dbraw/zinc/42/55/79/541425579.db2.gz RUYVANPAGUEHRF-AWEZNQCLSA-N 1 0 372.429 2.026 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067164657 541427725 /nfs/dbraw/zinc/42/77/25/541427725.db2.gz XJXISPVZCAJYJE-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067380266 541452955 /nfs/dbraw/zinc/45/29/55/541452955.db2.gz YNFUJUHTTROYHG-UHFFFAOYSA-N 1 0 370.409 2.090 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247389141 549327593 /nfs/dbraw/zinc/32/75/93/549327593.db2.gz LYIQJZLGPAWCBA-ZFWWWQNUSA-N 1 0 365.430 2.171 20 5 FEBDRO C[NH+]1CCN(C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000068024541 541540018 /nfs/dbraw/zinc/54/00/18/541540018.db2.gz LWWXEDJSQXURSO-HNNXBMFYSA-N 1 0 374.466 2.375 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000068185669 541559524 /nfs/dbraw/zinc/55/95/24/541559524.db2.gz BSADXAXIYROSST-CQSZACIVSA-N 1 0 357.414 2.275 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000068386481 541585681 /nfs/dbraw/zinc/58/56/81/541585681.db2.gz CJQWUILXGHTRIB-CYBMUJFWSA-N 1 0 359.430 2.345 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000068790439 541628802 /nfs/dbraw/zinc/62/88/02/541628802.db2.gz QEWUYSTZZQESAU-KGLIPLIRSA-N 1 0 365.430 2.361 20 5 FEBDRO COc1cc(OCC(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000068852739 541635344 /nfs/dbraw/zinc/63/53/44/541635344.db2.gz AWWFJWKHLXRKNP-UHFFFAOYSA-N 1 0 363.414 2.069 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000068902878 541638365 /nfs/dbraw/zinc/63/83/65/541638365.db2.gz UABPDKPSNOOLHI-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000068935501 541642303 /nfs/dbraw/zinc/64/23/03/541642303.db2.gz LZZFCBYZCDFJES-CQSZACIVSA-N 1 0 357.414 2.241 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000069036267 541650722 /nfs/dbraw/zinc/65/07/22/541650722.db2.gz QUAJECTUHBZCSP-GFCCVEGCSA-N 1 0 350.375 2.353 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000069143385 541662218 /nfs/dbraw/zinc/66/22/18/541662218.db2.gz KSHHUDVANZQXNA-CYBMUJFWSA-N 1 0 363.414 2.233 20 5 FEBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000069425394 541685796 /nfs/dbraw/zinc/68/57/96/541685796.db2.gz NEXDTVGQKFJBLP-OAHLLOKOSA-N 1 0 364.446 2.393 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531034 541695115 /nfs/dbraw/zinc/69/51/15/541695115.db2.gz OSSJIKFNYTWAOQ-ZFWWWQNUSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070892017 541749607 /nfs/dbraw/zinc/74/96/07/541749607.db2.gz MVVGUWMNEYCEFZ-ZDUSSCGKSA-N 1 0 363.414 2.360 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000073921791 542015076 /nfs/dbraw/zinc/01/50/76/542015076.db2.gz CMWPGDPWZSQCEH-UHFFFAOYSA-N 1 0 350.375 2.448 20 5 FEBDRO Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000074742968 542116702 /nfs/dbraw/zinc/11/67/02/542116702.db2.gz AQWURXQGZOCODU-UHFFFAOYSA-N 1 0 362.352 2.389 20 5 FEBDRO CC(C)[NH+](CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(C)C ZINC000074773140 542120297 /nfs/dbraw/zinc/12/02/97/542120297.db2.gz NPCGDXCYQDOTHU-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO Cc1ccc(C)c(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000075647285 542196155 /nfs/dbraw/zinc/19/61/55/542196155.db2.gz AXGLOPNTDPQMHO-KRWDZBQOSA-N 1 0 374.441 2.312 20 5 FEBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749964 542202140 /nfs/dbraw/zinc/20/21/40/542202140.db2.gz LPBXRMLLINYBCB-WBMJQRKESA-N 1 0 352.822 2.369 20 5 FEBDRO CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743361 542201346 /nfs/dbraw/zinc/20/13/46/542201346.db2.gz RMHBWDFNZSYOEO-QGZVFWFLSA-N 1 0 350.394 2.246 20 5 FEBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555176 674135007 /nfs/dbraw/zinc/13/50/07/674135007.db2.gz GEQANYOWUPLBDC-GWCFXTLKSA-N 1 0 359.220 2.329 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076380816 542270420 /nfs/dbraw/zinc/27/04/20/542270420.db2.gz CNJSAHOVELZYSL-CYBMUJFWSA-N 1 0 372.429 2.088 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887414 208449637 /nfs/dbraw/zinc/44/96/37/208449637.db2.gz HYSRPXNZMRYTDP-UHFFFAOYSA-N 1 0 361.345 2.276 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000079282085 542509993 /nfs/dbraw/zinc/50/99/93/542509993.db2.gz XEXMENKUEQTOTC-CQSZACIVSA-N 1 0 355.460 2.136 20 5 FEBDRO CN(CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000079350655 542513478 /nfs/dbraw/zinc/51/34/78/542513478.db2.gz YWZFTFYCFUFMDE-QGZVFWFLSA-N 1 0 368.437 2.422 20 5 FEBDRO Nc1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000080697458 542602152 /nfs/dbraw/zinc/60/21/52/542602152.db2.gz KJYVHJCNDYERSK-LJQANCHMSA-N 1 0 368.441 2.460 20 5 FEBDRO CNC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000053554511 132302703 /nfs/dbraw/zinc/30/27/03/132302703.db2.gz UGZRNCKNGMYQPE-UHFFFAOYSA-N 1 0 368.437 2.319 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089927036 542774465 /nfs/dbraw/zinc/77/44/65/542774465.db2.gz UTQUIRRSTUDQQP-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000102322788 543064616 /nfs/dbraw/zinc/06/46/16/543064616.db2.gz BVRMJSURRXHPTI-LBPRGKRZSA-N 1 0 351.432 2.007 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891785 543253197 /nfs/dbraw/zinc/25/31/97/543253197.db2.gz SJWMLUDOTBOZOG-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000112325155 543441688 /nfs/dbraw/zinc/44/16/88/543441688.db2.gz HMEBEPNNSJLOSX-UHFFFAOYSA-N 1 0 366.487 2.289 20 5 FEBDRO COCC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000112354564 543443023 /nfs/dbraw/zinc/44/30/23/543443023.db2.gz NTHGWTRHFRKXFT-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000113646582 543494655 /nfs/dbraw/zinc/49/46/55/543494655.db2.gz NAPMUNUNJZWACP-OAHLLOKOSA-N 1 0 362.430 2.222 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123754123 543781218 /nfs/dbraw/zinc/78/12/18/543781218.db2.gz WVDCCTALYHTELW-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000125034555 543857145 /nfs/dbraw/zinc/85/71/45/543857145.db2.gz GVUWYLCORKBEGG-MRXNPFEDSA-N 1 0 371.441 2.421 20 5 FEBDRO CC(C)c1ccc(CN2CCCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000125125964 543862352 /nfs/dbraw/zinc/86/23/52/543862352.db2.gz IUAKUMNJEDBTAB-UHFFFAOYSA-N 1 0 355.460 2.186 20 5 FEBDRO C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000125363589 543877243 /nfs/dbraw/zinc/87/72/43/543877243.db2.gz PPGMHISWYBKBKI-AWEZNQCLSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000125363335 543877277 /nfs/dbraw/zinc/87/72/77/543877277.db2.gz PPGMHISWYBKBKI-CQSZACIVSA-N 1 0 357.414 2.065 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(SCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000126008240 543913461 /nfs/dbraw/zinc/91/34/61/543913461.db2.gz SDBCYJFASUEWFF-UHFFFAOYSA-N 1 0 361.489 2.279 20 5 FEBDRO C[NH+]1CCN([C@@H]2CCCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000127048839 543970149 /nfs/dbraw/zinc/97/01/49/543970149.db2.gz JTAQMBMQAKTCHV-OAHLLOKOSA-N 1 0 363.418 2.109 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636166 543948096 /nfs/dbraw/zinc/94/80/96/543948096.db2.gz ZVSFFWKBCYWUMT-IUODEOHRSA-N 1 0 361.446 2.359 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000126769979 543955735 /nfs/dbraw/zinc/95/57/35/543955735.db2.gz GCUPHNJVPQLNEO-INIZCTEOSA-N 1 0 373.409 2.077 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000127980932 544026158 /nfs/dbraw/zinc/02/61/58/544026158.db2.gz JFHXDEHLOIRDOW-CYBMUJFWSA-N 1 0 372.381 2.137 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000127571323 544000812 /nfs/dbraw/zinc/00/08/12/544000812.db2.gz XAECFSKCIYYATM-HUUCEWRRSA-N 1 0 373.457 2.052 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000129621845 544120666 /nfs/dbraw/zinc/12/06/66/544120666.db2.gz PCFHKBWGNUEZDZ-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488243 544153067 /nfs/dbraw/zinc/15/30/67/544153067.db2.gz LXFSJRRBVDWABF-QGZVFWFLSA-N 1 0 357.414 2.227 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531582 544193963 /nfs/dbraw/zinc/19/39/63/544193963.db2.gz NHMOBHMWYRHRET-CJNGLKHVSA-N 1 0 371.441 2.277 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132545710 544235591 /nfs/dbraw/zinc/23/55/91/544235591.db2.gz QMAUNGYHTFVROG-LJQANCHMSA-N 1 0 355.394 2.265 20 5 FEBDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000135522374 544350829 /nfs/dbraw/zinc/35/08/29/544350829.db2.gz LGHPHPXJMKMAIB-UHFFFAOYSA-N 1 0 359.386 2.252 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000136548632 544374543 /nfs/dbraw/zinc/37/45/43/544374543.db2.gz KCEMGYQVJMMNBH-CHWSQXEVSA-N 1 0 353.394 2.353 20 5 FEBDRO C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000136799970 544379037 /nfs/dbraw/zinc/37/90/37/544379037.db2.gz SHYWOLMXQQMTLI-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000142419431 544416845 /nfs/dbraw/zinc/41/68/45/544416845.db2.gz VLRHHEWCBXGHBR-HNNXBMFYSA-N 1 0 361.398 2.082 20 5 FEBDRO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])o1 ZINC000151448457 544542882 /nfs/dbraw/zinc/54/28/82/544542882.db2.gz XQHBZVZDFSATGL-LLVKDONJSA-N 1 0 359.338 2.349 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000151637417 544565304 /nfs/dbraw/zinc/56/53/04/544565304.db2.gz IJPYKWBCSQBOOH-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000151801093 544582357 /nfs/dbraw/zinc/58/23/57/544582357.db2.gz IVRPVKYPVYBFHN-KGLIPLIRSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000152171975 544621436 /nfs/dbraw/zinc/62/14/36/544621436.db2.gz HSICFEUOECTMNN-GFCCVEGCSA-N 1 0 355.822 2.215 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000152318301 544638827 /nfs/dbraw/zinc/63/88/27/544638827.db2.gz KYIJWFPAHQLIQE-NSHDSACASA-N 1 0 355.822 2.474 20 5 FEBDRO C[N@H+](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000152750702 544691815 /nfs/dbraw/zinc/69/18/15/544691815.db2.gz AGGNKBXYYAITMT-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000153153520 544738615 /nfs/dbraw/zinc/73/86/15/544738615.db2.gz KSWYEEBYFDLUAS-MRXNPFEDSA-N 1 0 358.394 2.401 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000154563128 544922306 /nfs/dbraw/zinc/92/23/06/544922306.db2.gz UIUMYCIOPYUWJV-LJQANCHMSA-N 1 0 357.410 2.152 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000182629726 327782994 /nfs/dbraw/zinc/78/29/94/327782994.db2.gz KQFKZPUUQFBHEU-QGZVFWFLSA-N 1 0 360.414 2.077 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000183584866 327825491 /nfs/dbraw/zinc/82/54/91/327825491.db2.gz ORRQJHJTLXXFKP-UHFFFAOYSA-N 1 0 351.407 2.001 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184826116 327884677 /nfs/dbraw/zinc/88/46/77/327884677.db2.gz GKTXUDVWWLXEBG-BPNCWPANSA-N 1 0 359.386 2.340 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188228152 328074595 /nfs/dbraw/zinc/07/45/95/328074595.db2.gz BOFLMXSIBVZFSL-NWDGAFQWSA-N 1 0 359.423 2.133 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000189861665 328172224 /nfs/dbraw/zinc/17/22/24/328172224.db2.gz FECJWIXQSJODRE-HIFRSBDPSA-N 1 0 362.430 2.240 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000189926405 328176466 /nfs/dbraw/zinc/17/64/66/328176466.db2.gz XRYLMYWRKAUGRE-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893767 328174418 /nfs/dbraw/zinc/17/44/18/328174418.db2.gz NHOKVMOTCWZDIG-CYBMUJFWSA-N 1 0 355.460 2.166 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190007287 328181902 /nfs/dbraw/zinc/18/19/02/328181902.db2.gz ITIWKHBXDDKQGP-UONOGXRCSA-N 1 0 355.460 2.172 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000191617156 328274323 /nfs/dbraw/zinc/27/43/23/328274323.db2.gz ODHLCMRDCASDTM-OAHLLOKOSA-N 1 0 357.414 2.206 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000191773597 328280980 /nfs/dbraw/zinc/28/09/80/328280980.db2.gz KWPUYNGBUTYTNT-ZIAGYGMSSA-N 1 0 351.451 2.299 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000191842779 328284265 /nfs/dbraw/zinc/28/42/65/328284265.db2.gz KHLAHZDDTLOVGH-HIFRSBDPSA-N 1 0 357.414 2.204 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191995626 328292508 /nfs/dbraw/zinc/29/25/08/328292508.db2.gz BVXCYSAEDJQOAO-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192114674 328300530 /nfs/dbraw/zinc/30/05/30/328300530.db2.gz JITAUASAXZYUCA-WBVHZDCISA-N 1 0 365.336 2.155 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192462598 328320273 /nfs/dbraw/zinc/32/02/73/328320273.db2.gz VTHGNEPFKIYXCN-TXEJJXNPSA-N 1 0 353.806 2.037 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192900542 328345741 /nfs/dbraw/zinc/34/57/41/328345741.db2.gz UXXDWUHKQYZITM-SWLSCSKDSA-N 1 0 357.414 2.131 20 5 FEBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)N1 ZINC000193475942 328377762 /nfs/dbraw/zinc/37/77/62/328377762.db2.gz OHGNSRUCJMLXFQ-SFHVURJKSA-N 1 0 370.365 2.029 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000041860049 324515038 /nfs/dbraw/zinc/51/50/38/324515038.db2.gz HBOAKSIATPFMGL-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237054642 328503038 /nfs/dbraw/zinc/50/30/38/328503038.db2.gz FKVLLQSJJVRFRN-UHFFFAOYSA-N 1 0 369.468 2.352 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000077017693 324974759 /nfs/dbraw/zinc/97/47/59/324974759.db2.gz RAMAMFMFDWASEM-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237296768 328511403 /nfs/dbraw/zinc/51/14/03/328511403.db2.gz LGMSLVNUYXKDEY-LLVKDONJSA-N 1 0 370.247 2.358 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237552532 328519973 /nfs/dbraw/zinc/51/99/73/328519973.db2.gz FBWLIZNPAJRMSX-STQMWFEESA-N 1 0 371.441 2.279 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000083992006 325227238 /nfs/dbraw/zinc/22/72/38/325227238.db2.gz IUFJAILYUOSXJQ-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000087375513 325280538 /nfs/dbraw/zinc/28/05/38/325280538.db2.gz SFLCAYZSYZBUAE-INIZCTEOSA-N 1 0 361.442 2.145 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000101576308 325473077 /nfs/dbraw/zinc/47/30/77/325473077.db2.gz VHMNBQHAAWCSHL-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104515316 325539980 /nfs/dbraw/zinc/53/99/80/325539980.db2.gz WPQFGLDBIPIJBX-QPJJXVBHSA-N 1 0 368.393 2.360 20 5 FEBDRO O=C(CN1CCC[C@H]([NH+]2CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000108376691 325641049 /nfs/dbraw/zinc/64/10/49/325641049.db2.gz IAJFXZFJXLBQEQ-SFHVURJKSA-N 1 0 372.469 2.434 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000112917601 325812856 /nfs/dbraw/zinc/81/28/56/325812856.db2.gz NWJMGYIJCDWPEZ-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116620964 326027714 /nfs/dbraw/zinc/02/77/14/326027714.db2.gz FFNHRCVJFKAHSE-UHFFFAOYSA-N 1 0 371.441 2.407 20 5 FEBDRO COCCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000116885098 326039912 /nfs/dbraw/zinc/03/99/12/326039912.db2.gz FVMXQMWLOGHJIX-UHFFFAOYSA-N 1 0 365.430 2.359 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000116907559 326041539 /nfs/dbraw/zinc/04/15/39/326041539.db2.gz LBWIRACGDPXPIP-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000117338533 326058079 /nfs/dbraw/zinc/05/80/79/326058079.db2.gz QSKQBWQLIWPSGT-OAHLLOKOSA-N 1 0 360.414 2.063 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000119321519 326149573 /nfs/dbraw/zinc/14/95/73/326149573.db2.gz WFBYTULHKCGMCY-CYBMUJFWSA-N 1 0 372.425 2.144 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000120516011 326265192 /nfs/dbraw/zinc/26/51/92/326265192.db2.gz BCFQUUAPJNWTLA-AWEZNQCLSA-N 1 0 356.444 2.304 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121184283 326320055 /nfs/dbraw/zinc/32/00/55/326320055.db2.gz LXBYZKTWJKNMKA-GUYCJALGSA-N 1 0 357.414 2.193 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121362648 326332857 /nfs/dbraw/zinc/33/28/57/326332857.db2.gz KRLOQIVZTGFMFW-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO C[NH+](C)CCC1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000121623286 326352828 /nfs/dbraw/zinc/35/28/28/326352828.db2.gz WNFXJTOXQWFZFC-UHFFFAOYSA-N 1 0 360.458 2.148 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000122345275 326393286 /nfs/dbraw/zinc/39/32/86/326393286.db2.gz ZTOIUTLYRQMEHM-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122426834 326396573 /nfs/dbraw/zinc/39/65/73/326396573.db2.gz WEWOTGNAPFUIQQ-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000129680339 326544708 /nfs/dbraw/zinc/54/47/08/326544708.db2.gz VWPMXTCAHSKMAU-UHFFFAOYSA-N 1 0 361.446 2.181 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000132354219 326591181 /nfs/dbraw/zinc/59/11/81/326591181.db2.gz AWQGQCNXVPGPHP-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000134583286 326628084 /nfs/dbraw/zinc/62/80/84/326628084.db2.gz LZRLFEXOVPNFSJ-CQSZACIVSA-N 1 0 355.398 2.091 20 5 FEBDRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000135426470 326641122 /nfs/dbraw/zinc/64/11/22/326641122.db2.gz LYOZXXZAELINNE-UHFFFAOYSA-N 1 0 361.442 2.484 20 5 FEBDRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000135435835 326641380 /nfs/dbraw/zinc/64/13/80/326641380.db2.gz DZVBOXUXVIGFGC-UHFFFAOYSA-N 1 0 361.442 2.484 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000156198121 326821599 /nfs/dbraw/zinc/82/15/99/326821599.db2.gz DCVOWOVWSTZAOH-HTQZYQBOSA-N 1 0 368.242 2.273 20 5 FEBDRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000159125833 326919690 /nfs/dbraw/zinc/91/96/90/326919690.db2.gz AVMVOXMDQAJLIC-UHFFFAOYSA-N 1 0 359.386 2.435 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000160146973 326955037 /nfs/dbraw/zinc/95/50/37/326955037.db2.gz PIEODBDDJVBGDK-UHFFFAOYSA-N 1 0 371.459 2.194 20 5 FEBDRO CNC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161908656 327012400 /nfs/dbraw/zinc/01/24/00/327012400.db2.gz JGXCKDQVMWQLDN-GDBMZVCRSA-N 1 0 358.442 2.408 20 5 FEBDRO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000161923842 327012610 /nfs/dbraw/zinc/01/26/10/327012610.db2.gz LINYMEWIFRQXSW-UHFFFAOYSA-N 1 0 359.386 2.353 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162776441 327034427 /nfs/dbraw/zinc/03/44/27/327034427.db2.gz CTYYLLNSUQIJEF-MRXNPFEDSA-N 1 0 369.487 2.321 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000165868535 327079551 /nfs/dbraw/zinc/07/95/51/327079551.db2.gz JEXDSMHHQUYLPJ-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO COCCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000171070287 327115642 /nfs/dbraw/zinc/11/56/42/327115642.db2.gz SODASFLYOCLLKB-UHFFFAOYSA-N 1 0 362.430 2.392 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000171707362 327156643 /nfs/dbraw/zinc/15/66/43/327156643.db2.gz ZJOWFMFADBRPBB-AWEZNQCLSA-N 1 0 362.430 2.102 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172244941 327189303 /nfs/dbraw/zinc/18/93/03/327189303.db2.gz YYRRTCSOFJKXAT-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172246484 327189804 /nfs/dbraw/zinc/18/98/04/327189804.db2.gz LZPCPVWVMANQOR-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000173024002 327230791 /nfs/dbraw/zinc/23/07/91/327230791.db2.gz LQDCAZQQLKVEQV-JTQLQIEISA-N 1 0 359.835 2.011 20 5 FEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173278255 327246237 /nfs/dbraw/zinc/24/62/37/327246237.db2.gz CCVPOKAXVGFORK-QWRGUYRKSA-N 1 0 361.851 2.351 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000173515163 327263046 /nfs/dbraw/zinc/26/30/46/327263046.db2.gz AURHLEMRZCQIOR-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173729049 327279489 /nfs/dbraw/zinc/27/94/89/327279489.db2.gz DDDBUWBNFWVQFU-HNNXBMFYSA-N 1 0 365.430 2.217 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH+](CC)CC)C2)c([N+](=O)[O-])c1 ZINC000173845267 327288469 /nfs/dbraw/zinc/28/84/69/327288469.db2.gz PJUSKYNUXSOVEL-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867823 327290094 /nfs/dbraw/zinc/29/00/94/327290094.db2.gz XVADLXCXFVYDEN-ZDUSSCGKSA-N 1 0 371.434 2.277 20 5 FEBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105464 327306476 /nfs/dbraw/zinc/30/64/76/327306476.db2.gz NESXSZRSCOPVPC-RHSMWYFYSA-N 1 0 364.446 2.408 20 5 FEBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1CCOc1ccccc1 ZINC000174467017 327328569 /nfs/dbraw/zinc/32/85/69/327328569.db2.gz HWDFOKKSWRQFFM-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721239 327345763 /nfs/dbraw/zinc/34/57/63/327345763.db2.gz GGBBCPHKSVJJOY-ZDUSSCGKSA-N 1 0 374.319 2.183 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000174725009 327346257 /nfs/dbraw/zinc/34/62/57/327346257.db2.gz IPNNNXXFECNKGR-GXFFZTMASA-N 1 0 374.319 2.402 20 5 FEBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174840807 327354571 /nfs/dbraw/zinc/35/45/71/327354571.db2.gz KKHBFCLWUSGPRF-CYBMUJFWSA-N 1 0 353.423 2.123 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175290737 327384852 /nfs/dbraw/zinc/38/48/52/327384852.db2.gz GHTQYUPWASJAMH-KRWDZBQOSA-N 1 0 371.441 2.162 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000175302985 327385865 /nfs/dbraw/zinc/38/58/65/327385865.db2.gz QFRJOFGYRUVFQJ-TZMCWYRMSA-N 1 0 350.419 2.212 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000177447564 327522870 /nfs/dbraw/zinc/52/28/70/327522870.db2.gz KYULAVRWZZRKMH-GJZGRUSLSA-N 1 0 357.414 2.383 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178120464 327566536 /nfs/dbraw/zinc/56/65/36/327566536.db2.gz MLBFFNSSNMWXKU-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261734358 328815458 /nfs/dbraw/zinc/81/54/58/328815458.db2.gz SDDKEDAEKMAPLN-HNNXBMFYSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000262136233 328845025 /nfs/dbraw/zinc/84/50/25/328845025.db2.gz YTPHGEFKHDTGEV-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000262312881 328858384 /nfs/dbraw/zinc/85/83/84/328858384.db2.gz DAXHOFIXGCBXRQ-OAHLLOKOSA-N 1 0 369.425 2.357 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000262367756 328861844 /nfs/dbraw/zinc/86/18/44/328861844.db2.gz LHPAFOYQEZBPJG-OAHLLOKOSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262901575 328898842 /nfs/dbraw/zinc/89/88/42/328898842.db2.gz PSBVZURKDIFBRF-ONGXEEELSA-N 1 0 356.220 2.157 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)c1 ZINC000264215133 329000955 /nfs/dbraw/zinc/00/09/55/329000955.db2.gz UQPLZPURIHIJBG-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264636398 329043224 /nfs/dbraw/zinc/04/32/24/329043224.db2.gz UZKVTSNGTGDDPD-AWEZNQCLSA-N 1 0 367.471 2.453 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000264945320 329077077 /nfs/dbraw/zinc/07/70/77/329077077.db2.gz IUEVQQJLXMHOIN-UHFFFAOYSA-N 1 0 357.414 2.363 20 5 FEBDRO COc1ccc(NC(=O)CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000264945449 329077136 /nfs/dbraw/zinc/07/71/36/329077136.db2.gz JKMMGYHLINOZTM-ZIAGYGMSSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264957439 329078394 /nfs/dbraw/zinc/07/83/94/329078394.db2.gz WUWGWXOEQBKULM-OAHLLOKOSA-N 1 0 370.457 2.408 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099278 329090928 /nfs/dbraw/zinc/09/09/28/329090928.db2.gz XEBJZEZVQDSSPV-ZIAGYGMSSA-N 1 0 361.446 2.180 20 5 FEBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1[C@H]1CCC[NH2+]C1 ZINC000265476656 329131203 /nfs/dbraw/zinc/13/12/03/329131203.db2.gz FSUNHGKUANFXAQ-QMMMGPOBSA-N 1 0 354.823 2.390 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000265757982 329157281 /nfs/dbraw/zinc/15/72/81/329157281.db2.gz GFVVQTHIDFZUJU-GASCZTMLSA-N 1 0 363.458 2.488 20 5 FEBDRO COc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000265959951 329176549 /nfs/dbraw/zinc/17/65/49/329176549.db2.gz QAHOZCHTYQMSPZ-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960585 329176767 /nfs/dbraw/zinc/17/67/67/329176767.db2.gz QBXKDJZIQWHGCK-STQMWFEESA-N 1 0 365.430 2.462 20 5 FEBDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000266053764 329185630 /nfs/dbraw/zinc/18/56/30/329185630.db2.gz ZTKLXCCFHRSQHA-UHFFFAOYSA-N 1 0 359.426 2.377 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000266472488 329226502 /nfs/dbraw/zinc/22/65/02/329226502.db2.gz GYSISBYFJZNNIW-GOOCMWNKSA-N 1 0 362.430 2.418 20 5 FEBDRO CC(C)(C)OC(=O)NCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267030779 329284843 /nfs/dbraw/zinc/28/48/43/329284843.db2.gz BCVKUPVDQRPMGD-UHFFFAOYSA-N 1 0 353.423 2.028 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267411659 329324518 /nfs/dbraw/zinc/32/45/18/329324518.db2.gz KOGCKRGXPPWGIV-SWLSCSKDSA-N 1 0 357.414 2.267 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000267959596 329372013 /nfs/dbraw/zinc/37/20/13/329372013.db2.gz ZFZSSFOWFNKTHV-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000268087596 329383730 /nfs/dbraw/zinc/38/37/30/329383730.db2.gz RYVTXRDILTXIGH-KRWDZBQOSA-N 1 0 360.389 2.471 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1SC ZINC000269221463 329497873 /nfs/dbraw/zinc/49/78/73/329497873.db2.gz SOVLHKAVJAIBKH-QWRGUYRKSA-N 1 0 353.444 2.443 20 5 FEBDRO CNC(=O)c1ccc(NC[C@](C)([NH3+])Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000269956609 329563390 /nfs/dbraw/zinc/56/33/90/329563390.db2.gz KOJOKNFYYIMTDI-LJQANCHMSA-N 1 0 372.425 2.335 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272439910 329781560 /nfs/dbraw/zinc/78/15/60/329781560.db2.gz ZXXHSJYLLHOHCV-LLVKDONJSA-N 1 0 363.443 2.403 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000272535283 329789361 /nfs/dbraw/zinc/78/93/61/329789361.db2.gz NALIYUFPKBGGQD-STQMWFEESA-N 1 0 371.384 2.302 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000273064418 329834147 /nfs/dbraw/zinc/83/41/47/329834147.db2.gz NEFIPAZDCJKTMB-QZTJIDSGSA-N 1 0 363.414 2.479 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]12 ZINC000273500831 329869725 /nfs/dbraw/zinc/86/97/25/329869725.db2.gz YOGNCUDJFRKCKL-AVPPRXQKSA-N 1 0 372.194 2.306 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000273512692 329870655 /nfs/dbraw/zinc/87/06/55/329870655.db2.gz OAWLCGLRAKINLJ-GOEBONIOSA-N 1 0 365.455 2.255 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000273526634 329871867 /nfs/dbraw/zinc/87/18/67/329871867.db2.gz PNPYODUTHRCAEM-AWEZNQCLSA-N 1 0 369.487 2.129 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273673116 329883223 /nfs/dbraw/zinc/88/32/23/329883223.db2.gz ZPOZIFMPRYNALA-ZACQAIPSSA-N 1 0 352.387 2.125 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000274106499 329915978 /nfs/dbraw/zinc/91/59/78/329915978.db2.gz VHWORSBEFLAQHJ-STQMWFEESA-N 1 0 351.403 2.409 20 5 FEBDRO CS[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275116849 330012087 /nfs/dbraw/zinc/01/20/87/330012087.db2.gz MJGUIPSDMXJXAB-GOEBONIOSA-N 1 0 365.455 2.012 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275290433 330031207 /nfs/dbraw/zinc/03/12/07/330031207.db2.gz OOZGNOLBHTXFPT-CABCVRRESA-N 1 0 353.419 2.386 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000275784148 330088540 /nfs/dbraw/zinc/08/85/40/330088540.db2.gz ILFTXKGTEWABPA-NSHDSACASA-N 1 0 354.382 2.043 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276469915 330155411 /nfs/dbraw/zinc/15/54/11/330155411.db2.gz YLICNWKJSXHWAS-JSGCOSHPSA-N 1 0 352.387 2.113 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000276606341 330169326 /nfs/dbraw/zinc/16/93/26/330169326.db2.gz OXPACTQVTHCQSC-UHFFFAOYSA-N 1 0 369.849 2.475 20 5 FEBDRO COc1ccc([C@H](O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291393782 330189650 /nfs/dbraw/zinc/18/96/50/330189650.db2.gz BKPNSMINOVSJPX-SFHVURJKSA-N 1 0 360.414 2.246 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155333732 545513176 /nfs/dbraw/zinc/51/31/76/545513176.db2.gz DUMPCWODDBBHMB-CQSZACIVSA-N 1 0 367.409 2.374 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155907318 545582766 /nfs/dbraw/zinc/58/27/66/545582766.db2.gz KWVZYLRDPVEMHV-GFCCVEGCSA-N 1 0 351.403 2.289 20 5 FEBDRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000477535946 561147307 /nfs/dbraw/zinc/14/73/07/561147307.db2.gz JSBUTMJVCPBUBH-UHFFFAOYSA-N 1 0 367.402 2.399 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158703978 545887275 /nfs/dbraw/zinc/88/72/75/545887275.db2.gz KFXWLDPXWWZASK-CQSZACIVSA-N 1 0 372.425 2.110 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158860106 545901342 /nfs/dbraw/zinc/90/13/42/545901342.db2.gz LPWPPQLWUKEWCZ-OAHLLOKOSA-N 1 0 373.331 2.362 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000159306416 545941586 /nfs/dbraw/zinc/94/15/86/545941586.db2.gz AVGVEPILYOVGGT-UHFFFAOYSA-N 1 0 363.805 2.366 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000478908821 561177905 /nfs/dbraw/zinc/17/79/05/561177905.db2.gz JGLRMKCEDPTIDG-UHFFFAOYSA-N 1 0 357.370 2.353 20 5 FEBDRO [NH3+]C[C@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000479075372 561180938 /nfs/dbraw/zinc/18/09/38/561180938.db2.gz DCCFXNYCONUDKM-INIZCTEOSA-N 1 0 372.400 2.125 20 5 FEBDRO COc1cc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC000479077029 561181042 /nfs/dbraw/zinc/18/10/42/561181042.db2.gz FVCOXTIVVXIHLX-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000176050801 546396513 /nfs/dbraw/zinc/39/65/13/546396513.db2.gz GVIAUUMTGUSRAI-DOMZBBRYSA-N 1 0 350.419 2.085 20 5 FEBDRO COc1ccccc1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000176245394 546423840 /nfs/dbraw/zinc/42/38/40/546423840.db2.gz GMTCFUWZIHEPCU-MRXNPFEDSA-N 1 0 360.414 2.481 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000176678356 546475477 /nfs/dbraw/zinc/47/54/77/546475477.db2.gz HZQADIYEWFDUQG-UHFFFAOYSA-N 1 0 364.446 2.012 20 5 FEBDRO CC(C)(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480765420 561216284 /nfs/dbraw/zinc/21/62/84/561216284.db2.gz ZOFLLTIHWPQNRT-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])C1 ZINC000178179535 546752993 /nfs/dbraw/zinc/75/29/93/546752993.db2.gz IUAXDBSVBLFEPB-HNNXBMFYSA-N 1 0 374.441 2.023 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)CC(C)C ZINC000178277992 546767857 /nfs/dbraw/zinc/76/78/57/546767857.db2.gz KCKSCMNRVVYQQJ-HNNXBMFYSA-N 1 0 372.491 2.411 20 5 FEBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178676643 546830376 /nfs/dbraw/zinc/83/03/76/546830376.db2.gz GRQHJBRUPYNCHE-HZPDHXFCSA-N 1 0 357.414 2.483 20 5 FEBDRO CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178800443 546851867 /nfs/dbraw/zinc/85/18/67/546851867.db2.gz HSZJVMXHUCBDMV-VWLOTQADSA-N 1 0 361.423 2.063 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180048455 547043038 /nfs/dbraw/zinc/04/30/38/547043038.db2.gz YLIFZGOQKRDQKK-MRXNPFEDSA-N 1 0 369.487 2.131 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])c2)CC1 ZINC000180704700 547161682 /nfs/dbraw/zinc/16/16/82/547161682.db2.gz RKYYFLMGCPPTKC-UHFFFAOYSA-N 1 0 369.425 2.177 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000181162768 547262208 /nfs/dbraw/zinc/26/22/08/547262208.db2.gz OPNMNGZPTVJOQF-DCGLDWPTSA-N 1 0 360.414 2.029 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181464457 547318691 /nfs/dbraw/zinc/31/86/91/547318691.db2.gz KMXPSOVTJNELBM-GUYCJALGSA-N 1 0 365.430 2.415 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181905617 547401349 /nfs/dbraw/zinc/40/13/49/547401349.db2.gz XCCRRFWXOHLDFA-IAOVAPTHSA-N 1 0 352.431 2.470 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182186767 547449554 /nfs/dbraw/zinc/44/95/54/547449554.db2.gz JZVJNGZNTWDYTE-PBHICJAKSA-N 1 0 369.487 2.031 20 5 FEBDRO CN(C)C(=O)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000182203718 547452494 /nfs/dbraw/zinc/45/24/94/547452494.db2.gz UGEVNBJNFYDAQB-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182717810 547539969 /nfs/dbraw/zinc/53/99/69/547539969.db2.gz YPDYVDJQGTVFND-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183288294 547632981 /nfs/dbraw/zinc/63/29/81/547632981.db2.gz MJZRGPMJHMBBDD-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000183578192 547683968 /nfs/dbraw/zinc/68/39/68/547683968.db2.gz MKDMVGZDUQISAK-UHFFFAOYSA-N 1 0 359.386 2.252 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000183611671 547689844 /nfs/dbraw/zinc/68/98/44/547689844.db2.gz WMRZCPQXLDRUBL-UHFFFAOYSA-N 1 0 369.468 2.375 20 5 FEBDRO O=C(C[NH2+][C@@H](CCO)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183720312 547706215 /nfs/dbraw/zinc/70/62/15/547706215.db2.gz XDAYOSYAIYJCDZ-KRWDZBQOSA-N 1 0 361.442 2.405 20 5 FEBDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000183784008 547719549 /nfs/dbraw/zinc/71/95/49/547719549.db2.gz RHGKXKAGMPPLNI-GOSISDBHSA-N 1 0 369.421 2.400 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184067821 547764156 /nfs/dbraw/zinc/76/41/56/547764156.db2.gz JUKWKVBZLMSCRC-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@H]21 ZINC000184965631 547908269 /nfs/dbraw/zinc/90/82/69/547908269.db2.gz QWIVNUPZWDXWJJ-QGTPRVQTSA-N 1 0 361.445 2.350 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184963335 547908486 /nfs/dbraw/zinc/90/84/86/547908486.db2.gz QFSYELZMZUVCMH-BFHYXJOUSA-N 1 0 365.455 2.032 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000185094439 547931620 /nfs/dbraw/zinc/93/16/20/547931620.db2.gz GJFOYBSPNANPMU-RLCGTCKNSA-N 1 0 354.204 2.167 20 5 FEBDRO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485410705 561318701 /nfs/dbraw/zinc/31/87/01/561318701.db2.gz RHTUTDUJLZGLKU-CYBMUJFWSA-N 1 0 360.389 2.299 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000185850251 548045995 /nfs/dbraw/zinc/04/59/95/548045995.db2.gz HZMGORSENNYCGE-AWEZNQCLSA-N 1 0 353.444 2.091 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485912507 561332202 /nfs/dbraw/zinc/33/22/02/561332202.db2.gz IOFNZVNXVBRWFC-ZDUSSCGKSA-N 1 0 364.446 2.467 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(N(C)C)CCC1 ZINC000187002740 548238251 /nfs/dbraw/zinc/23/82/51/548238251.db2.gz FQYQFIOBQXPEDD-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000193781876 548396846 /nfs/dbraw/zinc/39/68/46/548396846.db2.gz WKMHFQIPRUFPSB-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000194219842 548451614 /nfs/dbraw/zinc/45/16/14/548451614.db2.gz TUGMQTLKAGDMNJ-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194441685 548482677 /nfs/dbraw/zinc/48/26/77/548482677.db2.gz KRXOJSCJMOOAPP-CQSZACIVSA-N 1 0 363.439 2.266 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000486693401 561354531 /nfs/dbraw/zinc/35/45/31/561354531.db2.gz HXDXZCGUMIJKAI-UHFFFAOYSA-N 1 0 353.444 2.186 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195035057 548567441 /nfs/dbraw/zinc/56/74/41/548567441.db2.gz KESFFDCZFXTEDL-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000237237244 548811340 /nfs/dbraw/zinc/81/13/40/548811340.db2.gz RSCQTUJVNZGRQB-UHFFFAOYSA-N 1 0 350.396 2.297 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237898812 548863306 /nfs/dbraw/zinc/86/33/06/548863306.db2.gz UZRULPPORTVDLO-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000245420464 548913543 /nfs/dbraw/zinc/91/35/43/548913543.db2.gz BMEVGFSINJHDEQ-QWHCGFSZSA-N 1 0 351.403 2.289 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000245805836 548997738 /nfs/dbraw/zinc/99/77/38/548997738.db2.gz PZVULDHPCQJSKA-KSSFIOAISA-N 1 0 359.426 2.449 20 5 FEBDRO CC(C)CN1C[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000488741860 561395709 /nfs/dbraw/zinc/39/57/09/561395709.db2.gz CPFIDKWROFNMRB-MRXNPFEDSA-N 1 0 362.430 2.051 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246859324 549230110 /nfs/dbraw/zinc/23/01/10/549230110.db2.gz LANZJOJLOAYTCQ-XJKSGUPXSA-N 1 0 362.430 2.229 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247654901 549369010 /nfs/dbraw/zinc/36/90/10/549369010.db2.gz WYGRROWAOAOVBP-SMDDNHRTSA-N 1 0 373.862 2.353 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248039400 549402921 /nfs/dbraw/zinc/40/29/21/549402921.db2.gz LSRYTQRVKXNOCN-CJNGLKHVSA-N 1 0 357.414 2.446 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000248288253 549418842 /nfs/dbraw/zinc/41/88/42/549418842.db2.gz HOAKIZCCEGLERK-UHFFFAOYSA-N 1 0 363.414 2.377 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248477333 549448059 /nfs/dbraw/zinc/44/80/59/549448059.db2.gz OQMCGUCTGBTBCI-YGRLFVJLSA-N 1 0 359.423 2.003 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248603844 549466710 /nfs/dbraw/zinc/46/67/10/549466710.db2.gz JMWNSDODTHDMPC-ZIAGYGMSSA-N 1 0 361.446 2.299 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCO[C@@H]1C ZINC000489472064 561412410 /nfs/dbraw/zinc/41/24/10/561412410.db2.gz BVCZWGZEUTYOAJ-RHSMWYFYSA-N 1 0 365.430 2.358 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248847570 549512314 /nfs/dbraw/zinc/51/23/14/549512314.db2.gz UXXDWUHKQYZITM-IUODEOHRSA-N 1 0 357.414 2.131 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252180400 549663694 /nfs/dbraw/zinc/66/36/94/549663694.db2.gz PXFKIQSLKQFPFR-QWHCGFSZSA-N 1 0 370.475 2.035 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000252653422 549676010 /nfs/dbraw/zinc/67/60/10/549676010.db2.gz YUBSJNOUHRJOIL-POZUXBRTSA-N 1 0 359.426 2.327 20 5 FEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000490088938 561426301 /nfs/dbraw/zinc/42/63/01/561426301.db2.gz NDWGKZOFYSFARD-DLBZAZTESA-N 1 0 350.415 2.355 20 5 FEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000262168567 549794545 /nfs/dbraw/zinc/79/45/45/549794545.db2.gz YLKNEYXCZQGMFU-AWEZNQCLSA-N 1 0 361.320 2.347 20 5 FEBDRO C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490630228 561436373 /nfs/dbraw/zinc/43/63/73/561436373.db2.gz JWCRXQOYUFMXGM-PBHICJAKSA-N 1 0 350.438 2.192 20 5 FEBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000490675889 561437174 /nfs/dbraw/zinc/43/71/74/561437174.db2.gz VXRFDHMRCCYNCY-UHFFFAOYSA-N 1 0 363.414 2.148 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263809758 549940437 /nfs/dbraw/zinc/94/04/37/549940437.db2.gz MXGXPTSMVDJAPY-MRXNPFEDSA-N 1 0 369.425 2.481 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000268789472 550116472 /nfs/dbraw/zinc/11/64/72/550116472.db2.gz GBONYBVRTOBXAP-NSHDSACASA-N 1 0 370.837 2.083 20 5 FEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000269207264 550167686 /nfs/dbraw/zinc/16/76/86/550167686.db2.gz OKMVBQICFJVTPK-UWVGGRQHSA-N 1 0 356.220 2.475 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000270619749 550289979 /nfs/dbraw/zinc/28/99/79/550289979.db2.gz HNVWUBWHHWUETL-AWEZNQCLSA-N 1 0 360.414 2.043 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000270947420 550324248 /nfs/dbraw/zinc/32/42/48/550324248.db2.gz LDRKIDRLQAZXHT-UHFFFAOYSA-N 1 0 352.435 2.134 20 5 FEBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])cc1 ZINC000271368851 550369501 /nfs/dbraw/zinc/36/95/01/550369501.db2.gz PAWCSKOUWKIOIS-HNNXBMFYSA-N 1 0 373.413 2.202 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000272238753 550430644 /nfs/dbraw/zinc/43/06/44/550430644.db2.gz XAHQTRBFVZFRIH-LBPRGKRZSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272409724 550445313 /nfs/dbraw/zinc/44/53/13/550445313.db2.gz KZDCMXJIMZJQKY-NHYWBVRUSA-N 1 0 373.862 2.271 20 5 FEBDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000272891309 550475550 /nfs/dbraw/zinc/47/55/50/550475550.db2.gz AQGWFQPJXVQKGX-MRXNPFEDSA-N 1 0 374.393 2.253 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273673109 550507646 /nfs/dbraw/zinc/50/76/46/550507646.db2.gz ZPOZIFMPRYNALA-BBWFWOEESA-N 1 0 352.387 2.125 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000277242242 550647028 /nfs/dbraw/zinc/64/70/28/550647028.db2.gz JFEAOGLGJOWQER-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000277251395 550647913 /nfs/dbraw/zinc/64/79/13/550647913.db2.gz ZLQSUGHYNLVHGS-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000277605934 550690774 /nfs/dbraw/zinc/69/07/74/550690774.db2.gz AMGHIXGOECROGK-OLZOCXBDSA-N 1 0 374.445 2.391 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277606735 550691217 /nfs/dbraw/zinc/69/12/17/550691217.db2.gz QDQMYXDOLKBJIR-AWEZNQCLSA-N 1 0 367.471 2.304 20 5 FEBDRO COc1cc(C[NH2+]C2CCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000277728911 550707213 /nfs/dbraw/zinc/70/72/13/550707213.db2.gz UHXRZUUTKPEPBU-UHFFFAOYSA-N 1 0 373.413 2.161 20 5 FEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253815 550765610 /nfs/dbraw/zinc/76/56/10/550765610.db2.gz HOPNPSREEBRQGS-ZMSDIMECSA-N 1 0 352.431 2.310 20 5 FEBDRO CC[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000278524917 550795270 /nfs/dbraw/zinc/79/52/70/550795270.db2.gz ZIZBJEUFAJXMEC-GHMZBOCLSA-N 1 0 362.352 2.290 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000279247165 550869512 /nfs/dbraw/zinc/86/95/12/550869512.db2.gz KTYOBQASDKBYCZ-BZZMCLGOSA-N 1 0 362.426 2.272 20 5 FEBDRO COc1cc(CN2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279798548 550930078 /nfs/dbraw/zinc/93/00/78/550930078.db2.gz OWUMSQXJTKTSDQ-AWEZNQCLSA-N 1 0 360.357 2.450 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000495657242 561490046 /nfs/dbraw/zinc/49/00/46/561490046.db2.gz SSVBEMVFRBSPCM-JKSUJKDBSA-N 1 0 362.455 2.054 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cccc1[N+](=O)[O-] ZINC000281190027 551072184 /nfs/dbraw/zinc/07/21/84/551072184.db2.gz RGECSDNIHQPCTO-STQMWFEESA-N 1 0 357.414 2.112 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000281257326 551078595 /nfs/dbraw/zinc/07/85/95/551078595.db2.gz VFGCZWTXBNPRSZ-GOSISDBHSA-N 1 0 358.398 2.250 20 5 FEBDRO CC[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000281296946 551082437 /nfs/dbraw/zinc/08/24/37/551082437.db2.gz YKIHKVWKBLSAQH-LRDDRELGSA-N 1 0 357.414 2.194 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CCOC)CC[NH+](C)C ZINC000282077814 551177790 /nfs/dbraw/zinc/17/77/90/551177790.db2.gz XIQFUPPQSPZWMG-UHFFFAOYSA-N 1 0 354.407 2.035 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282913235 551284659 /nfs/dbraw/zinc/28/46/59/551284659.db2.gz SDUWDHUEJABDPJ-ZDUSSCGKSA-N 1 0 366.393 2.310 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313867 561521817 /nfs/dbraw/zinc/52/18/17/561521817.db2.gz ZXWYXNXHWYXKOG-HUUCEWRRSA-N 1 0 361.446 2.267 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000498359530 561523267 /nfs/dbraw/zinc/52/32/67/561523267.db2.gz PUHCLRBZWIQLCO-INIZCTEOSA-N 1 0 365.478 2.363 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000498527504 561527045 /nfs/dbraw/zinc/52/70/45/561527045.db2.gz SHFFDCCWGUZNLJ-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000498583123 561529524 /nfs/dbraw/zinc/52/95/24/561529524.db2.gz IYGKSFLCRFOOCL-OLZOCXBDSA-N 1 0 363.414 2.326 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285159322 551712806 /nfs/dbraw/zinc/71/28/06/551712806.db2.gz AJUKJNUPRVIDDN-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285327161 551738627 /nfs/dbraw/zinc/73/86/27/551738627.db2.gz NMWVKVBLNJXPIM-AAEUAGOBSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285327167 551738742 /nfs/dbraw/zinc/73/87/42/551738742.db2.gz NMWVKVBLNJXPIM-WCQYABFASA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285399452 551750057 /nfs/dbraw/zinc/75/00/57/551750057.db2.gz XRPSVNZCITZOJZ-ZIAGYGMSSA-N 1 0 353.806 2.102 20 5 FEBDRO CCC[C@]1([NH2+]CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CCOC1 ZINC000285424198 551754497 /nfs/dbraw/zinc/75/44/97/551754497.db2.gz DVFRTQWSZQSYPW-KRWDZBQOSA-N 1 0 351.403 2.481 20 5 FEBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000286001699 551836824 /nfs/dbraw/zinc/83/68/24/551836824.db2.gz ITMPAFUBAIOBDD-SFHVURJKSA-N 1 0 373.409 2.401 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021727 551839566 /nfs/dbraw/zinc/83/95/66/551839566.db2.gz ZOJRHVMZSDPKKG-JSGCOSHPSA-N 1 0 363.414 2.311 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000286143164 551853894 /nfs/dbraw/zinc/85/38/94/551853894.db2.gz AAIQBVJCLZLVQZ-UHFFFAOYSA-N 1 0 371.397 2.248 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000286366414 551879320 /nfs/dbraw/zinc/87/93/20/551879320.db2.gz CJJBCGURGTXLEO-CJNGLKHVSA-N 1 0 362.430 2.372 20 5 FEBDRO Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000286611731 551905787 /nfs/dbraw/zinc/90/57/87/551905787.db2.gz RQQDFAIJEAFFRX-UHFFFAOYSA-N 1 0 361.793 2.124 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000499264251 561547122 /nfs/dbraw/zinc/54/71/22/561547122.db2.gz LQZRCBFIZFGCTR-OAHLLOKOSA-N 1 0 356.382 2.099 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288530966 552169995 /nfs/dbraw/zinc/16/99/95/552169995.db2.gz UPGGAHBGTYRWCP-SFHVURJKSA-N 1 0 355.398 2.056 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC)C[C@@H]2C)cc1OC ZINC000288638665 552189778 /nfs/dbraw/zinc/18/97/78/552189778.db2.gz YZFMJZNCZAKIRS-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288689056 552198522 /nfs/dbraw/zinc/19/85/22/552198522.db2.gz CNIZOWZATJLTOR-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000499930021 561562151 /nfs/dbraw/zinc/56/21/51/561562151.db2.gz MHRYSJDJLMZMOJ-UHFFFAOYSA-N 1 0 372.425 2.090 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])c1OC ZINC000289173511 552277277 /nfs/dbraw/zinc/27/72/77/552277277.db2.gz HTRFKELDGAFUCH-HAQNSBGRSA-N 1 0 351.403 2.107 20 5 FEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000289304942 552298187 /nfs/dbraw/zinc/29/81/87/552298187.db2.gz GZMUCBBRIXXSNT-GOSISDBHSA-N 1 0 363.458 2.389 20 5 FEBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289492364 552330250 /nfs/dbraw/zinc/33/02/50/552330250.db2.gz LBYIUDGYSVAUGJ-MRVPVSSYSA-N 1 0 364.183 2.448 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000289515754 552333637 /nfs/dbraw/zinc/33/36/37/552333637.db2.gz NKTKSQCHPSRZEO-RYUDHWBXSA-N 1 0 362.167 2.202 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000289764234 552374745 /nfs/dbraw/zinc/37/47/45/552374745.db2.gz VRFROSLPDNIEKR-MRXNPFEDSA-N 1 0 359.430 2.298 20 5 FEBDRO Cn1ncc(Br)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289796973 552380297 /nfs/dbraw/zinc/38/02/97/552380297.db2.gz MJKBSCAODLTCLZ-UHFFFAOYSA-N 1 0 354.208 2.056 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000290004237 552412610 /nfs/dbraw/zinc/41/26/10/552412610.db2.gz ZIZCNDDOKRBKDW-WMLDXEAASA-N 1 0 359.430 2.070 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000290219095 552444088 /nfs/dbraw/zinc/44/40/88/552444088.db2.gz JQIFMOKWRQEIKZ-INIZCTEOSA-N 1 0 374.441 2.183 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290501550 552489376 /nfs/dbraw/zinc/48/93/76/552489376.db2.gz KPPLTVWIDTVMNF-UHFFFAOYSA-N 1 0 369.425 2.474 20 5 FEBDRO C[C@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291191524 552597995 /nfs/dbraw/zinc/59/79/95/552597995.db2.gz STVRBJSFVYINJQ-WFASDCNBSA-N 1 0 355.398 2.164 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000291438050 552624478 /nfs/dbraw/zinc/62/44/78/552624478.db2.gz ZCKPDXZGQMFVIA-INIZCTEOSA-N 1 0 374.441 2.229 20 5 FEBDRO C[NH+]1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291987854 552681982 /nfs/dbraw/zinc/68/19/82/552681982.db2.gz ROCQRHYZYMKRRZ-UHFFFAOYSA-N 1 0 362.213 2.088 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292882638 552768226 /nfs/dbraw/zinc/76/82/26/552768226.db2.gz UITVMIRXRMJUQN-HNNXBMFYSA-N 1 0 373.862 2.355 20 5 FEBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292978150 552776848 /nfs/dbraw/zinc/77/68/48/552776848.db2.gz HCCPELUOXAKFAZ-DOTOQJQBSA-N 1 0 352.431 2.111 20 5 FEBDRO C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000293059447 552784960 /nfs/dbraw/zinc/78/49/60/552784960.db2.gz RQTOZLPVLNIYED-OAHLLOKOSA-N 1 0 365.478 2.181 20 5 FEBDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000293076320 552786457 /nfs/dbraw/zinc/78/64/57/552786457.db2.gz OLROWJGCSBVSLW-GOSISDBHSA-N 1 0 361.442 2.261 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000293790398 552856596 /nfs/dbraw/zinc/85/65/96/552856596.db2.gz MNMFZHDBHAWHPQ-UHFFFAOYSA-N 1 0 359.423 2.278 20 5 FEBDRO O=C(NCCCCC[NH+]1CCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000293808576 552858201 /nfs/dbraw/zinc/85/82/01/552858201.db2.gz BYETUNOTLQLVHW-UHFFFAOYSA-N 1 0 372.429 2.171 20 5 FEBDRO COC(=O)c1cc(C(=O)NCCCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000293977511 552872464 /nfs/dbraw/zinc/87/24/64/552872464.db2.gz RIJARBBDKAJNCO-UHFFFAOYSA-N 1 0 363.414 2.377 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294052090 552878234 /nfs/dbraw/zinc/87/82/34/552878234.db2.gz GQXKDAGWLCZPPC-SECBINFHSA-N 1 0 354.208 2.487 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294632106 552922220 /nfs/dbraw/zinc/92/22/20/552922220.db2.gz PZLNCIMQTOVJEB-UHFFFAOYSA-N 1 0 351.447 2.121 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294860152 552939430 /nfs/dbraw/zinc/93/94/30/552939430.db2.gz SXLQZNOUSSGZQZ-BXKDBHETSA-N 1 0 360.336 2.381 20 5 FEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295116722 552960403 /nfs/dbraw/zinc/96/04/03/552960403.db2.gz MNJGDBCZCPFLAB-ZDUSSCGKSA-N 1 0 357.382 2.051 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]2CCO[C@H]21 ZINC000295846506 553067181 /nfs/dbraw/zinc/06/71/81/553067181.db2.gz DEFDWJZSPHSYSP-IUIKQTSFSA-N 1 0 351.378 2.466 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000296322972 553140768 /nfs/dbraw/zinc/14/07/68/553140768.db2.gz SLNXZYKDLXOSGS-LBPRGKRZSA-N 1 0 374.441 2.093 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296441304 553160311 /nfs/dbraw/zinc/16/03/11/553160311.db2.gz WOWOPQMYHCNBEA-JLZZUVOBSA-N 1 0 361.398 2.089 20 5 FEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)[N@H+](C)C1 ZINC000296673278 553196654 /nfs/dbraw/zinc/19/66/54/553196654.db2.gz HUFWRBPUURZEOB-RYUDHWBXSA-N 1 0 354.382 2.225 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000297768947 553336701 /nfs/dbraw/zinc/33/67/01/553336701.db2.gz LWEMOEKDNCUAMO-FZMZJTMJSA-N 1 0 351.378 2.299 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000297960983 553362980 /nfs/dbraw/zinc/36/29/80/553362980.db2.gz ULTNBCFESMZXPU-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO CCN(CC)C(=O)CN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298724640 553464401 /nfs/dbraw/zinc/46/44/01/553464401.db2.gz FHZXFOUQUBGENA-UHFFFAOYSA-N 1 0 362.474 2.013 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000299504321 553572437 /nfs/dbraw/zinc/57/24/37/553572437.db2.gz KZZIHNDBMRKLCD-UHFFFAOYSA-N 1 0 370.409 2.034 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000299552689 553579996 /nfs/dbraw/zinc/57/99/96/553579996.db2.gz GEFUBDRGEXDAIG-WDEREUQCSA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000299628304 553591156 /nfs/dbraw/zinc/59/11/56/553591156.db2.gz JUPMLVUACFBHNA-GDBMZVCRSA-N 1 0 374.441 2.093 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NCC3([NH+]4CCSCC4)CCCC3)nn21 ZINC000301921308 553692071 /nfs/dbraw/zinc/69/20/71/553692071.db2.gz KXXKQENVIBCRQH-UHFFFAOYSA-N 1 0 362.459 2.411 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](N3CCCC3)C2)s1 ZINC000302003609 553697470 /nfs/dbraw/zinc/69/74/70/553697470.db2.gz YNJYSVLSPXRHPN-LLVKDONJSA-N 1 0 359.473 2.124 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059569 553700992 /nfs/dbraw/zinc/70/09/92/553700992.db2.gz BCPPOONAHBZHFK-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302135814 553706048 /nfs/dbraw/zinc/70/60/48/553706048.db2.gz MKWYKDAKHBCZOM-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO Cc1cc(NC2CCN(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302194076 553709979 /nfs/dbraw/zinc/70/99/79/553709979.db2.gz RZMJNCRGBGOQBU-UHFFFAOYSA-N 1 0 364.427 2.287 20 5 FEBDRO Cc1cc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302479491 553718066 /nfs/dbraw/zinc/71/80/66/553718066.db2.gz WBCNQUMEMLZYLC-LJQANCHMSA-N 1 0 356.426 2.371 20 5 FEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000302522714 553720300 /nfs/dbraw/zinc/72/03/00/553720300.db2.gz YLTMHASQWRYAKK-LLVKDONJSA-N 1 0 359.373 2.478 20 5 FEBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000310851059 553754425 /nfs/dbraw/zinc/75/44/25/553754425.db2.gz OJFKKMVNDYYLFG-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330398769 554116356 /nfs/dbraw/zinc/11/63/56/554116356.db2.gz CLVCIBWVEIJMDF-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1C ZINC000330561163 554138653 /nfs/dbraw/zinc/13/86/53/554138653.db2.gz SLMAAJBGYHKEPQ-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000508416868 561761612 /nfs/dbraw/zinc/76/16/12/561761612.db2.gz FUWFNZNRBLQWKY-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034775 554367332 /nfs/dbraw/zinc/36/73/32/554367332.db2.gz JCEDNZQAFZNLIV-INIZCTEOSA-N 1 0 362.430 2.165 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332073003 554374306 /nfs/dbraw/zinc/37/43/06/554374306.db2.gz DHHRKIOQFGWAQY-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1cc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000509599755 561806694 /nfs/dbraw/zinc/80/66/94/561806694.db2.gz GYTACMZVUZFOGL-UHFFFAOYSA-N 1 0 363.414 2.103 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000509922788 561818737 /nfs/dbraw/zinc/81/87/37/561818737.db2.gz GTNKZVXZFXBUTB-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508724 554458686 /nfs/dbraw/zinc/45/86/86/554458686.db2.gz HAPKHESIZUIDPI-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000511342861 561865950 /nfs/dbraw/zinc/86/59/50/561865950.db2.gz LYXPEQKOCVPKMX-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO C[C@H]1C[C@@H](c2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CC[N@@H+]1C ZINC000351252060 554847375 /nfs/dbraw/zinc/84/73/75/554847375.db2.gz CHLWGUZKNKONJG-AAEUAGOBSA-N 1 0 369.385 2.423 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000361277557 554913643 /nfs/dbraw/zinc/91/36/43/554913643.db2.gz CDKJAVGMUVOCDT-JZPQVBBNSA-N 1 0 359.426 2.318 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391125 554921027 /nfs/dbraw/zinc/92/10/27/554921027.db2.gz IPXCPWFJGUWTBA-YGRLFVJLSA-N 1 0 363.443 2.365 20 5 FEBDRO CNC(=O)c1ccc(N[C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813541 554936236 /nfs/dbraw/zinc/93/62/36/554936236.db2.gz MEFJGFVNTDYXAT-GOEBONIOSA-N 1 0 362.430 2.010 20 5 FEBDRO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000361902226 554937498 /nfs/dbraw/zinc/93/74/98/554937498.db2.gz ZNRBTZRLYWQKGB-INIZCTEOSA-N 1 0 354.410 2.284 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362080670 554948584 /nfs/dbraw/zinc/94/85/84/554948584.db2.gz SZWXFCDVFWVRHJ-CRAIPNDOSA-N 1 0 362.474 2.061 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363043091 555017229 /nfs/dbraw/zinc/01/72/29/555017229.db2.gz VOKVRMCKADQMIP-KGLIPLIRSA-N 1 0 357.414 2.220 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424215 555102289 /nfs/dbraw/zinc/10/22/89/555102289.db2.gz PMQNMCSCHPMJJJ-SUYBPPKGSA-N 1 0 365.405 2.353 20 5 FEBDRO Cc1ccnc(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363791444 555187300 /nfs/dbraw/zinc/18/73/00/555187300.db2.gz CVVZRWCVROBBJP-MRXNPFEDSA-N 1 0 372.425 2.313 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000363796341 555188136 /nfs/dbraw/zinc/18/81/36/555188136.db2.gz BMYKPNKYDWMTGK-FOCLMDBBSA-N 1 0 360.458 2.094 20 5 FEBDRO Cc1cc([C@@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC000364036714 555237514 /nfs/dbraw/zinc/23/75/14/555237514.db2.gz SWFPOMRCRAOJGY-OAHLLOKOSA-N 1 0 369.425 2.395 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000364173572 555262815 /nfs/dbraw/zinc/26/28/15/555262815.db2.gz JLMOTVHWMUFNMQ-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](COC(C)C)C1 ZINC000364202454 555268648 /nfs/dbraw/zinc/26/86/48/555268648.db2.gz KFTOCEHYLSWBIC-INIZCTEOSA-N 1 0 365.430 2.358 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364213831 555271539 /nfs/dbraw/zinc/27/15/39/555271539.db2.gz QWBGVVYUDOFYHU-CABCVRRESA-N 1 0 359.357 2.309 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364307331 555288690 /nfs/dbraw/zinc/28/86/90/555288690.db2.gz YOALAKZLPJDGDG-CVEARBPZSA-N 1 0 373.384 2.456 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000364331419 555293146 /nfs/dbraw/zinc/29/31/46/555293146.db2.gz YXVKWDKOQSMBMX-MRXNPFEDSA-N 1 0 353.386 2.209 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340106 555294473 /nfs/dbraw/zinc/29/44/73/555294473.db2.gz RKKGNFBGKROVCB-CABCVRRESA-N 1 0 352.387 2.146 20 5 FEBDRO O=C1[C@H](N2CCC(n3cccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000364529415 555330318 /nfs/dbraw/zinc/33/03/18/555330318.db2.gz OWZVTGCXCAYPMT-QGZVFWFLSA-N 1 0 355.398 2.234 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364674313 555370611 /nfs/dbraw/zinc/37/06/11/555370611.db2.gz RJHGNGVWJBYPTH-BBRMVZONSA-N 1 0 372.429 2.040 20 5 FEBDRO Cc1cc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000365115928 555489384 /nfs/dbraw/zinc/48/93/84/555489384.db2.gz IFSUJKRWSCQTNF-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO CN(C(=O)C[NH2+][C@H]1c2ccccc2CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000365222175 555515105 /nfs/dbraw/zinc/51/51/05/555515105.db2.gz OVFAXWCTSUEBRO-MGPUTAFESA-N 1 0 369.421 2.443 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365265803 555527128 /nfs/dbraw/zinc/52/71/28/555527128.db2.gz JFFZQHCNFNYONQ-MDYRTPRTSA-N 1 0 372.421 2.220 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365283027 555531363 /nfs/dbraw/zinc/53/13/63/555531363.db2.gz VHNHKNJSUXRQID-DOTOQJQBSA-N 1 0 362.430 2.275 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365629527 555626696 /nfs/dbraw/zinc/62/66/96/555626696.db2.gz MYEYRENIWPRXBH-HLLBOEOZSA-N 1 0 368.393 2.070 20 5 FEBDRO CC(C)[NH+]1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000531654921 562453071 /nfs/dbraw/zinc/45/30/71/562453071.db2.gz VQQLHEIVVBIPOA-UHFFFAOYSA-N 1 0 370.475 2.130 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)n1 ZINC000365853481 555683803 /nfs/dbraw/zinc/68/38/03/555683803.db2.gz NIQLSUWHHUKXLH-UHFFFAOYSA-N 1 0 368.397 2.278 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000366697766 555912174 /nfs/dbraw/zinc/91/21/74/555912174.db2.gz RBPWVELKRWFQBO-GJZGRUSLSA-N 1 0 357.414 2.104 20 5 FEBDRO Cc1ccn(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000366766110 555928805 /nfs/dbraw/zinc/92/88/05/555928805.db2.gz XDIRKNVLEGXMCE-KRWDZBQOSA-N 1 0 360.414 2.177 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000366944131 555978024 /nfs/dbraw/zinc/97/80/24/555978024.db2.gz NEHPDLIHEDXSOH-GJZGRUSLSA-N 1 0 367.424 2.313 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2CN2CCOCC2)s1 ZINC000367727929 556124715 /nfs/dbraw/zinc/12/47/15/556124715.db2.gz JYEFGVWTEGCOGZ-GFCCVEGCSA-N 1 0 363.443 2.291 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367909058 556170276 /nfs/dbraw/zinc/17/02/76/556170276.db2.gz WTYBOJUWZIZLPA-JSGCOSHPSA-N 1 0 362.386 2.416 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367924794 556174384 /nfs/dbraw/zinc/17/43/84/556174384.db2.gz BXXWYBGDRGJHKC-KBXCAEBGSA-N 1 0 360.458 2.260 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368055230 556206469 /nfs/dbraw/zinc/20/64/69/556206469.db2.gz HMMVUUYBVWHGRF-GOSISDBHSA-N 1 0 365.430 2.272 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368110315 556221442 /nfs/dbraw/zinc/22/14/42/556221442.db2.gz STUIVGKEHSZOGU-GFCCVEGCSA-N 1 0 373.862 2.258 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368430110 556306621 /nfs/dbraw/zinc/30/66/21/556306621.db2.gz SYUGLTWXYGFIRC-WFASDCNBSA-N 1 0 351.378 2.103 20 5 FEBDRO Cc1c(CC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000368570643 556349066 /nfs/dbraw/zinc/34/90/66/556349066.db2.gz XQVIHIAGNRZWON-WMZOPIPTSA-N 1 0 361.442 2.063 20 5 FEBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662679 556377769 /nfs/dbraw/zinc/37/77/69/556377769.db2.gz JZSYPRCXTNZOPP-MSOLQXFVSA-N 1 0 374.441 2.399 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000515431082 562010457 /nfs/dbraw/zinc/01/04/57/562010457.db2.gz SVLDKERPKLDCLU-ZDUSSCGKSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1Cc1ccccc1 ZINC000368821970 556422336 /nfs/dbraw/zinc/42/23/36/556422336.db2.gz DEBXIWFELJFSGR-UKRRQHHQSA-N 1 0 369.425 2.212 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000369102975 556505929 /nfs/dbraw/zinc/50/59/29/556505929.db2.gz KTDUBDLNTAUZKI-CYBMUJFWSA-N 1 0 361.398 2.066 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369532753 556623363 /nfs/dbraw/zinc/62/33/63/556623363.db2.gz PZWUGJVDBVFKBS-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000369775375 556691515 /nfs/dbraw/zinc/69/15/15/556691515.db2.gz XSTGYJLPDFLHPU-UHFFFAOYSA-N 1 0 355.394 2.278 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369923548 556731521 /nfs/dbraw/zinc/73/15/21/556731521.db2.gz NJCNGDWDBWMJIN-UHFFFAOYSA-N 1 0 370.413 2.187 20 5 FEBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000369939332 556736278 /nfs/dbraw/zinc/73/62/78/556736278.db2.gz ZHKZTRZMMURFFY-IRXDYDNUSA-N 1 0 361.442 2.388 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2O1 ZINC000370278178 556828289 /nfs/dbraw/zinc/82/82/89/556828289.db2.gz CMWNMSUQKPKYKE-NSHDSACASA-N 1 0 374.372 2.286 20 5 FEBDRO [NH3+]CCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000516927395 562065357 /nfs/dbraw/zinc/06/53/57/562065357.db2.gz LGVUAFVQOVJTFD-UHFFFAOYSA-N 1 0 369.487 2.210 20 5 FEBDRO Cc1nnc([C@H]2CC23CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC3)o1 ZINC000370804817 556973115 /nfs/dbraw/zinc/97/31/15/556973115.db2.gz XCSQVUOWWNHKPP-CQSZACIVSA-N 1 0 371.397 2.155 20 5 FEBDRO C[C@H]1CC[C@H]([N@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998275 562070104 /nfs/dbraw/zinc/07/01/04/562070104.db2.gz SEQUFFHCVZBLCZ-KBPBESRZSA-N 1 0 363.414 2.376 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992076 557038764 /nfs/dbraw/zinc/03/87/64/557038764.db2.gz MOYFJYFGDYXCQZ-UONOGXRCSA-N 1 0 363.414 2.290 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233243 557114626 /nfs/dbraw/zinc/11/46/26/557114626.db2.gz XKRSIZZAADFRPM-KGLIPLIRSA-N 1 0 363.414 2.290 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371356063 557158496 /nfs/dbraw/zinc/15/84/96/557158496.db2.gz VAZNUKOUYODDQD-FPTDEYDUSA-N 1 0 372.469 2.092 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000518046742 562103221 /nfs/dbraw/zinc/10/32/21/562103221.db2.gz RJTSBVAALKLLBX-CQSZACIVSA-N 1 0 361.398 2.128 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000371911703 557327099 /nfs/dbraw/zinc/32/70/99/557327099.db2.gz OZWRCJWFWWCMEB-CVEARBPZSA-N 1 0 362.430 2.356 20 5 FEBDRO O=c1[nH]c(CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000372473013 557479805 /nfs/dbraw/zinc/47/98/05/557479805.db2.gz OFLRPPYGUHOKTF-CYBMUJFWSA-N 1 0 368.397 2.320 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000519655977 562138837 /nfs/dbraw/zinc/13/88/37/562138837.db2.gz STDUBELZBXQABX-LSDHHAIUSA-N 1 0 367.471 2.167 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000373061761 557619256 /nfs/dbraw/zinc/61/92/56/557619256.db2.gz YCSOQBUQKIUFHZ-HUUCEWRRSA-N 1 0 357.414 2.228 20 5 FEBDRO CNc1nc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520245225 562151718 /nfs/dbraw/zinc/15/17/18/562151718.db2.gz ADNQXKLGXARLKY-IBGZPJMESA-N 1 0 369.425 2.426 20 5 FEBDRO CCc1n[nH]c(C(=O)NCC2(C)C[NH+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000373590845 557724474 /nfs/dbraw/zinc/72/44/74/557724474.db2.gz DTNGVWNMMHCPOK-UHFFFAOYSA-N 1 0 357.414 2.132 20 5 FEBDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396982 562155323 /nfs/dbraw/zinc/15/53/23/562155323.db2.gz XJFKHGMTXKNTSR-WBVHZDCISA-N 1 0 365.474 2.435 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933680 557790141 /nfs/dbraw/zinc/79/01/41/557790141.db2.gz NFDXSMHTPWSFHT-MAUKXSAKSA-N 1 0 373.457 2.053 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000374175004 557837165 /nfs/dbraw/zinc/83/71/65/557837165.db2.gz JZHRPUSDPQHZQM-SDDRHHMPSA-N 1 0 373.862 2.305 20 5 FEBDRO COC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](OC)C1 ZINC000521052045 562168610 /nfs/dbraw/zinc/16/86/10/562168610.db2.gz KMTRVMKKOXSINY-BHYGNILZSA-N 1 0 350.415 2.474 20 5 FEBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521079881 562169251 /nfs/dbraw/zinc/16/92/51/562169251.db2.gz ABQOOSQBHAHTNN-MRXNPFEDSA-N 1 0 355.398 2.089 20 5 FEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000374529037 557895332 /nfs/dbraw/zinc/89/53/32/557895332.db2.gz HGXIKJVECSKHSJ-CYBMUJFWSA-N 1 0 361.402 2.302 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374529785 557895531 /nfs/dbraw/zinc/89/55/31/557895531.db2.gz YOLGBUKMFNLTNK-SIIHOXLZSA-N 1 0 363.414 2.240 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521154634 562170680 /nfs/dbraw/zinc/17/06/80/562170680.db2.gz DQKLSNCRZYNNGL-UHFFFAOYSA-N 1 0 365.405 2.499 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000521170248 562170857 /nfs/dbraw/zinc/17/08/57/562170857.db2.gz HRRYUJNHWOWETK-OAHLLOKOSA-N 1 0 355.460 2.310 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375038733 557968241 /nfs/dbraw/zinc/96/82/41/557968241.db2.gz LVOPSONJDKXPAF-IAQYHMDHSA-N 1 0 352.822 2.213 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000375064953 557972593 /nfs/dbraw/zinc/97/25/93/557972593.db2.gz ZTZPRTAYNISAII-RBUKOAKNSA-N 1 0 369.421 2.408 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000375064790 557972651 /nfs/dbraw/zinc/97/26/51/557972651.db2.gz ZECISHUFGIUOJE-QZTJIDSGSA-N 1 0 355.394 2.479 20 5 FEBDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393637 558019793 /nfs/dbraw/zinc/01/97/93/558019793.db2.gz RGYISRAMHFPSEP-FUHWJXTLSA-N 1 0 374.441 2.485 20 5 FEBDRO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394499 558020330 /nfs/dbraw/zinc/02/03/30/558020330.db2.gz UHPHUBDRSKPCIA-HOCLYGCPSA-N 1 0 369.425 2.406 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000375617617 558057542 /nfs/dbraw/zinc/05/75/42/558057542.db2.gz JLJBDYZRXADZSV-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817763 558084412 /nfs/dbraw/zinc/08/44/12/558084412.db2.gz GFRNADQZBZXJJL-PBHICJAKSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000521583219 562179373 /nfs/dbraw/zinc/17/93/73/562179373.db2.gz OBZRLMALGNECLE-LBPRGKRZSA-N 1 0 368.393 2.138 20 5 FEBDRO C[C@H](C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171212 558136183 /nfs/dbraw/zinc/13/61/83/558136183.db2.gz INQZTSOAXHFVEE-VNHYZAJKSA-N 1 0 365.405 2.159 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451853 558174927 /nfs/dbraw/zinc/17/49/27/558174927.db2.gz XIRZQDCBLLTREX-KSSFIOAISA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1C ZINC000376534436 558186378 /nfs/dbraw/zinc/18/63/78/558186378.db2.gz GSADHSXMJNGJFW-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO Cn1ccc(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000377085457 558262744 /nfs/dbraw/zinc/26/27/44/558262744.db2.gz ZOSJLUFPXGMKIA-JKSUJKDBSA-N 1 0 355.398 2.101 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000377129198 558272511 /nfs/dbraw/zinc/27/25/11/558272511.db2.gz UBDHPKJJAWRMGN-UCLAIMLFSA-N 1 0 372.469 2.194 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000377283591 558306069 /nfs/dbraw/zinc/30/60/69/558306069.db2.gz RYSLAQQCUQDULR-KGLIPLIRSA-N 1 0 359.835 2.140 20 5 FEBDRO Cc1cc(N2CCC[C@H](N3CCNC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377349296 558321343 /nfs/dbraw/zinc/32/13/43/558321343.db2.gz YYLSYNUQHJGFPK-AWEZNQCLSA-N 1 0 355.398 2.445 20 5 FEBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377586038 558371447 /nfs/dbraw/zinc/37/14/47/558371447.db2.gz LUPVRLQFMHZWEK-SFHVURJKSA-N 1 0 365.430 2.417 20 5 FEBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000377814388 558425359 /nfs/dbraw/zinc/42/53/59/558425359.db2.gz NQTBNXVBRXWIEF-YQQAZPJKSA-N 1 0 369.425 2.012 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378224950 558506029 /nfs/dbraw/zinc/50/60/29/558506029.db2.gz JKQFPHWOFNEMAI-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000523480591 562213797 /nfs/dbraw/zinc/21/37/97/562213797.db2.gz ZBRDCBKPQIZANS-OAHLLOKOSA-N 1 0 350.419 2.085 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397254812 558624330 /nfs/dbraw/zinc/62/43/30/558624330.db2.gz HUEXEBAWTZMYTE-VWYCJHECSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000397608083 558624931 /nfs/dbraw/zinc/62/49/31/558624931.db2.gz QKRYBXBEJPFKBJ-UHFFFAOYSA-N 1 0 356.426 2.737 20 5 FEBDRO O=C(CC[NH+]1CCC(O[C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410051184 558734813 /nfs/dbraw/zinc/73/48/13/558734813.db2.gz GTLONLBMQVLQCN-HNNXBMFYSA-N 1 0 363.414 2.193 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525060822 562240014 /nfs/dbraw/zinc/24/00/14/562240014.db2.gz ZRNHCOCNUVSOOZ-ZDUSSCGKSA-N 1 0 363.414 2.359 20 5 FEBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411194853 558851783 /nfs/dbraw/zinc/85/17/83/558851783.db2.gz HWCAPIRJAKJTAO-INIZCTEOSA-N 1 0 362.430 2.256 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000411303210 558872150 /nfs/dbraw/zinc/87/21/50/558872150.db2.gz GSDJQYMYODQLOR-CYBMUJFWSA-N 1 0 364.446 2.243 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000525461092 562248587 /nfs/dbraw/zinc/24/85/87/562248587.db2.gz CYQUNJYQYVAVNS-QGZVFWFLSA-N 1 0 373.438 2.353 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411525507 558910661 /nfs/dbraw/zinc/91/06/61/558910661.db2.gz KLJRLGNZAUQWRW-AWEZNQCLSA-N 1 0 364.446 2.387 20 5 FEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000411609948 558928291 /nfs/dbraw/zinc/92/82/91/558928291.db2.gz MDEFQAIUIWIYNW-QAPCUYQASA-N 1 0 365.430 2.079 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000411655730 558937152 /nfs/dbraw/zinc/93/71/52/558937152.db2.gz MKVMXJBOHHXSPV-UKRRQHHQSA-N 1 0 351.403 2.049 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976344 558998255 /nfs/dbraw/zinc/99/82/55/558998255.db2.gz CZTCKZKPFZIYLA-ZWKOTPCHSA-N 1 0 356.426 2.422 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000412175321 559018477 /nfs/dbraw/zinc/01/84/77/559018477.db2.gz YWRBNSIZBKRYDJ-NWDGAFQWSA-N 1 0 353.394 2.274 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1F ZINC000412230456 559021471 /nfs/dbraw/zinc/02/14/71/559021471.db2.gz OOIMCWUNNAQGMJ-UHFFFAOYSA-N 1 0 365.405 2.372 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCC[NH+]2CCCC2)c1F ZINC000412321059 559027663 /nfs/dbraw/zinc/02/76/63/559027663.db2.gz XWSLWGNOHBWMKC-UHFFFAOYSA-N 1 0 353.394 2.229 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1F ZINC000412349978 559029960 /nfs/dbraw/zinc/02/99/60/559029960.db2.gz WDPXYUDLRKFAPC-TZMCWYRMSA-N 1 0 365.405 2.370 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413144953 559082552 /nfs/dbraw/zinc/08/25/52/559082552.db2.gz QTXPIFYNXXWIGT-UHFFFAOYSA-N 1 0 362.352 2.292 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413252974 559092154 /nfs/dbraw/zinc/09/21/54/559092154.db2.gz TYFVZNMHMQTASU-GOSISDBHSA-N 1 0 360.389 2.202 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414294834 559155044 /nfs/dbraw/zinc/15/50/44/559155044.db2.gz FCOVNOLHBFKACM-ZBINZKHDSA-N 1 0 357.357 2.450 20 5 FEBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000414329650 559156713 /nfs/dbraw/zinc/15/67/13/559156713.db2.gz PBXONEYOALRVAI-KGLIPLIRSA-N 1 0 370.475 2.080 20 5 FEBDRO CCS(=O)(=O)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414547658 559170730 /nfs/dbraw/zinc/17/07/30/559170730.db2.gz WHNAXRQSAOJFPW-UHFFFAOYSA-N 1 0 352.359 2.111 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564153 559172073 /nfs/dbraw/zinc/17/20/73/559172073.db2.gz XHVHEBNDGLNIHA-PXAZEXFGSA-N 1 0 362.382 2.039 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000414941943 559196236 /nfs/dbraw/zinc/19/62/36/559196236.db2.gz DADYAWNECRWKKP-HNNXBMFYSA-N 1 0 356.329 2.414 20 5 FEBDRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414959652 559197437 /nfs/dbraw/zinc/19/74/37/559197437.db2.gz XMGRUVYQTBIFKW-CYBMUJFWSA-N 1 0 370.409 2.439 20 5 FEBDRO COC(=O)COc1ccc(CN2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000415140753 559208208 /nfs/dbraw/zinc/20/82/08/559208208.db2.gz UWBUJWSFIRTRIG-HNNXBMFYSA-N 1 0 371.393 2.037 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415442814 559237368 /nfs/dbraw/zinc/23/73/68/559237368.db2.gz CMGCFPVLXHRWDV-UHFFFAOYSA-N 1 0 374.441 2.086 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000415460541 559239533 /nfs/dbraw/zinc/23/95/33/559239533.db2.gz ARIQHWZNCGEINT-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415597332 559254040 /nfs/dbraw/zinc/25/40/40/559254040.db2.gz JGNSLCDGRIWWMD-ZUZCIYMTSA-N 1 0 364.402 2.281 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415968741 559286100 /nfs/dbraw/zinc/28/61/00/559286100.db2.gz FOARAVIQEWGTRD-UHFFFAOYSA-N 1 0 372.381 2.407 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000416378152 559308560 /nfs/dbraw/zinc/30/85/60/559308560.db2.gz RRAZUCITYSUPDW-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416384887 559309054 /nfs/dbraw/zinc/30/90/54/559309054.db2.gz OOOKCKWENNIVBN-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562444 559322137 /nfs/dbraw/zinc/32/21/37/559322137.db2.gz OKHREXQKBBRFFL-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000416663634 559328521 /nfs/dbraw/zinc/32/85/21/559328521.db2.gz QXEVNAJHHBUVNO-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000416991758 559342386 /nfs/dbraw/zinc/34/23/86/559342386.db2.gz CRGDZGSQABRUFA-KGLIPLIRSA-N 1 0 350.419 2.130 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417171693 559351155 /nfs/dbraw/zinc/35/11/55/559351155.db2.gz DZCCWOFZIURUAC-UHFFFAOYSA-N 1 0 358.398 2.274 20 5 FEBDRO CO[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417718201 559373834 /nfs/dbraw/zinc/37/38/34/559373834.db2.gz NXUZJYUMNNZKQS-SJORKVTESA-N 1 0 364.446 2.065 20 5 FEBDRO COC[C@]1(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000417858928 559379583 /nfs/dbraw/zinc/37/95/83/559379583.db2.gz VONKGXFGHWQBIE-CXAGYDPISA-N 1 0 350.419 2.032 20 5 FEBDRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1cccc([N+](=O)[O-])c1 ZINC000417949076 559383474 /nfs/dbraw/zinc/38/34/74/559383474.db2.gz UTBFLSXZSSHRNS-UHFFFAOYSA-N 1 0 357.414 2.011 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418476859 559403153 /nfs/dbraw/zinc/40/31/53/559403153.db2.gz AYTQCVVTKGWUIY-GYABFAJESA-N 1 0 374.441 2.405 20 5 FEBDRO COC[C@@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]1 ZINC000418660295 559410110 /nfs/dbraw/zinc/41/01/10/559410110.db2.gz XCNPCBPQZUMXLM-SFHVURJKSA-N 1 0 362.430 2.037 20 5 FEBDRO C[NH2+]C[C@H](C)CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420215025 559476846 /nfs/dbraw/zinc/47/68/46/559476846.db2.gz VXRWOMUIYCWVRV-JTQLQIEISA-N 1 0 351.794 2.062 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CN)C1CCCCC1 ZINC000420363240 559483114 /nfs/dbraw/zinc/48/31/14/559483114.db2.gz JCCPYRXTTVSLII-MRXNPFEDSA-N 1 0 364.446 2.429 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420383942 559484388 /nfs/dbraw/zinc/48/43/88/559484388.db2.gz GDJOCWUESZALGC-JKSUJKDBSA-N 1 0 372.400 2.408 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420403003 559485744 /nfs/dbraw/zinc/48/57/44/559485744.db2.gz MTGJGJFPOQUSJL-CQSZACIVSA-N 1 0 370.409 2.322 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420410708 559486321 /nfs/dbraw/zinc/48/63/21/559486321.db2.gz RGIXWCMPGCPQJH-SFHVURJKSA-N 1 0 354.410 2.488 20 5 FEBDRO [NH3+]CCC[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000420470816 559489396 /nfs/dbraw/zinc/48/93/96/559489396.db2.gz XSZFWHAKXBWGHE-KRWDZBQOSA-N 1 0 363.439 2.494 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420644970 559494981 /nfs/dbraw/zinc/49/49/81/559494981.db2.gz ZGQQKYAVQVXKHH-CQSZACIVSA-N 1 0 357.414 2.090 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1C ZINC000420719951 559500358 /nfs/dbraw/zinc/50/03/58/559500358.db2.gz BDUSQGNFIXHVID-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000420747888 559502075 /nfs/dbraw/zinc/50/20/75/559502075.db2.gz PCOXZLMQJKIKHN-UHFFFAOYSA-N 1 0 361.851 2.399 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421006720 559519005 /nfs/dbraw/zinc/51/90/05/559519005.db2.gz BPIWESHZQZHISL-KGLIPLIRSA-N 1 0 365.430 2.415 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421286416 559535798 /nfs/dbraw/zinc/53/57/98/559535798.db2.gz FAXBIQUHKICJBQ-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO CCCN1C[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355330 559540035 /nfs/dbraw/zinc/54/00/35/559540035.db2.gz UGSOWHDRXDHLCD-KBPBESRZSA-N 1 0 362.430 2.160 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4nnnn4CC3)o2)cc1 ZINC000421399703 559541418 /nfs/dbraw/zinc/54/14/18/559541418.db2.gz QSUAOFKXTTXZIM-ZDUSSCGKSA-N 1 0 354.370 2.336 20 5 FEBDRO Cn1ccnc1[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423430198 559629046 /nfs/dbraw/zinc/62/90/46/559629046.db2.gz HZSCAKNZKQCHES-KSZLIROESA-N 1 0 355.442 2.395 20 5 FEBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423618423 559634084 /nfs/dbraw/zinc/63/40/84/559634084.db2.gz WVUVKFCYFQOZDK-ZBFHGGJFSA-N 1 0 357.414 2.130 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000423961048 559648056 /nfs/dbraw/zinc/64/80/56/559648056.db2.gz ZAMMGVZEAGVKMI-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000423995319 559649742 /nfs/dbraw/zinc/64/97/42/559649742.db2.gz UYJHKGBEVCZXJA-OAHLLOKOSA-N 1 0 357.366 2.105 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000423999901 559650132 /nfs/dbraw/zinc/65/01/32/559650132.db2.gz BJTLDSVWLMIKGR-VXGBXAGGSA-N 1 0 351.403 2.059 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424013400 559651055 /nfs/dbraw/zinc/65/10/55/559651055.db2.gz REWMZSBRMCYKKY-LSDHHAIUSA-N 1 0 359.357 2.066 20 5 FEBDRO CS(=O)(=O)CCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000424172364 559656733 /nfs/dbraw/zinc/65/67/33/559656733.db2.gz NPCBWAJTUFYZBB-UHFFFAOYSA-N 1 0 352.359 2.111 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000424989039 559682319 /nfs/dbraw/zinc/68/23/19/559682319.db2.gz HFURXMISMPPDCA-UHFFFAOYSA-N 1 0 374.441 2.188 20 5 FEBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425005670 559683334 /nfs/dbraw/zinc/68/33/34/559683334.db2.gz LIOHQENSQSWWJF-GOEBONIOSA-N 1 0 369.425 2.227 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000425503369 559706184 /nfs/dbraw/zinc/70/61/84/559706184.db2.gz IWZOXBOCACMBGD-UHFFFAOYSA-N 1 0 367.446 2.025 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426405256 559734137 /nfs/dbraw/zinc/73/41/37/559734137.db2.gz QHEVQLOVGOUCPF-KRWDZBQOSA-N 1 0 363.458 2.081 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000426907543 559744054 /nfs/dbraw/zinc/74/40/54/559744054.db2.gz SHUXSTXJFCUMTF-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000427376080 559754376 /nfs/dbraw/zinc/75/43/76/559754376.db2.gz KDLCSCOBDTVBSS-CQSZACIVSA-N 1 0 354.410 2.404 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000427402437 559754880 /nfs/dbraw/zinc/75/48/80/559754880.db2.gz CNEMSMVDFOPTJJ-UHFFFAOYSA-N 1 0 360.370 2.191 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C(C)C ZINC000429389899 559797733 /nfs/dbraw/zinc/79/77/33/559797733.db2.gz WSYJMFYSGSFPRR-YOEHRIQHSA-N 1 0 363.414 2.361 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429397186 559797782 /nfs/dbraw/zinc/79/77/82/559797782.db2.gz FBBHRAJXMVLYOW-KCXAZCMYSA-N 1 0 363.414 2.441 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429482606 559799575 /nfs/dbraw/zinc/79/95/75/559799575.db2.gz UOJKHCVZVYRGST-NHYWBVRUSA-N 1 0 374.445 2.163 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429559149 559801457 /nfs/dbraw/zinc/80/14/57/559801457.db2.gz WGGRBRLVADQFRZ-CYBMUJFWSA-N 1 0 362.430 2.160 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000429760166 559805101 /nfs/dbraw/zinc/80/51/01/559805101.db2.gz MNDIUXOLDYZSPW-OBJOEFQTSA-N 1 0 351.403 2.071 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568033 559822940 /nfs/dbraw/zinc/82/29/40/559822940.db2.gz BXBIOWHCLKJSNG-GXTWGEPZSA-N 1 0 352.435 2.236 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000430635609 559825289 /nfs/dbraw/zinc/82/52/89/559825289.db2.gz VUVGLLMMSHWIIJ-INIZCTEOSA-N 1 0 357.414 2.289 20 5 FEBDRO CC(=O)c1ccc(NCC(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000431504762 559840466 /nfs/dbraw/zinc/84/04/66/559840466.db2.gz GVQHLURDWCUDEZ-UHFFFAOYSA-N 1 0 362.430 2.202 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000431936744 559848826 /nfs/dbraw/zinc/84/88/26/559848826.db2.gz KKELDNVFIQHIIC-WMZOPIPTSA-N 1 0 360.414 2.444 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000432525778 559860274 /nfs/dbraw/zinc/86/02/74/559860274.db2.gz KBUIJQKWQIUNEO-PXAZEXFGSA-N 1 0 371.441 2.184 20 5 FEBDRO CCOC(=O)c1cc(NC[C@@H](C)N2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000433707886 559886799 /nfs/dbraw/zinc/88/67/99/559886799.db2.gz FKNQMEWVHQMTLP-CQSZACIVSA-N 1 0 364.446 2.209 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000434035969 559892829 /nfs/dbraw/zinc/89/28/29/559892829.db2.gz KCZBWWLQSNCHOP-STQMWFEESA-N 1 0 367.450 2.061 20 5 FEBDRO COc1cc(CN2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435390619 559921991 /nfs/dbraw/zinc/92/19/91/559921991.db2.gz SKNSVPPOUIWWBN-NSHDSACASA-N 1 0 359.373 2.418 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000436183557 559937009 /nfs/dbraw/zinc/93/70/09/559937009.db2.gz AWFLIBQOHTZGDQ-OAHLLOKOSA-N 1 0 357.414 2.088 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319264 559939796 /nfs/dbraw/zinc/93/97/96/559939796.db2.gz DHVQTIRFWBYBRK-UONOGXRCSA-N 1 0 364.446 2.142 20 5 FEBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000436718686 559950026 /nfs/dbraw/zinc/95/00/26/559950026.db2.gz FUOUFCPAALJKQV-OAHLLOKOSA-N 1 0 357.414 2.091 20 5 FEBDRO Cc1ccccc1C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439102731 559988486 /nfs/dbraw/zinc/98/84/86/559988486.db2.gz RCXASOKBZIGNAG-UHFFFAOYSA-N 1 0 354.410 2.324 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000439109206 559988609 /nfs/dbraw/zinc/98/86/09/559988609.db2.gz UZBAFQVJIOWKOE-UHFFFAOYSA-N 1 0 356.382 2.247 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439684960 559998688 /nfs/dbraw/zinc/99/86/88/559998688.db2.gz MXTNYLTUSOLELH-HNNXBMFYSA-N 1 0 356.430 2.315 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000440076013 560004449 /nfs/dbraw/zinc/00/44/49/560004449.db2.gz IXJYMCKQOQNJJS-QWHCGFSZSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440501400 560012685 /nfs/dbraw/zinc/01/26/85/560012685.db2.gz DRIFAMPCXQCBHU-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000440525766 560013714 /nfs/dbraw/zinc/01/37/14/560013714.db2.gz WDHQVYFLZKGBRR-QGZVFWFLSA-N 1 0 361.423 2.023 20 5 FEBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000440823503 560019017 /nfs/dbraw/zinc/01/90/17/560019017.db2.gz WHDMBKYMYZAUEV-SFYZADRCSA-N 1 0 368.242 2.273 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000440831794 560019218 /nfs/dbraw/zinc/01/92/18/560019218.db2.gz HCARTVMAWAWSFI-AWEZNQCLSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441381176 560030525 /nfs/dbraw/zinc/03/05/25/560030525.db2.gz IPKKSQGTTZFDDD-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443787581 560092876 /nfs/dbraw/zinc/09/28/76/560092876.db2.gz JJGSHGGSMRGTFB-MRXNPFEDSA-N 1 0 367.471 2.088 20 5 FEBDRO COc1ccc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCOCC2)cc1F ZINC000444801731 560121138 /nfs/dbraw/zinc/12/11/38/560121138.db2.gz LXAGBEBEZPVEOS-UHFFFAOYSA-N 1 0 364.377 2.235 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446082308 560139634 /nfs/dbraw/zinc/13/96/34/560139634.db2.gz QHLYQDONGCLOEY-CYBMUJFWSA-N 1 0 355.822 2.397 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000446321475 560144249 /nfs/dbraw/zinc/14/42/49/560144249.db2.gz PNDYERQTNYXAKW-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000447818298 560170037 /nfs/dbraw/zinc/17/00/37/560170037.db2.gz SAYHYNGYNVEJKS-LLVKDONJSA-N 1 0 370.837 2.083 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447939358 560173888 /nfs/dbraw/zinc/17/38/88/560173888.db2.gz KAFLHKAQXUJQJV-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@]12C[N@@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555953 560189840 /nfs/dbraw/zinc/18/98/40/560189840.db2.gz NSHANPLCDLUPSN-NFRFBMBCSA-N 1 0 367.405 2.371 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000449319499 560225181 /nfs/dbraw/zinc/22/51/81/560225181.db2.gz KCYAINSZUQDOEO-WFASDCNBSA-N 1 0 361.364 2.379 20 5 FEBDRO Cc1cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cs1 ZINC000449322324 560225190 /nfs/dbraw/zinc/22/51/90/560225190.db2.gz WXYURAIGZYKQHH-UHFFFAOYSA-N 1 0 369.468 2.334 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449441033 560230212 /nfs/dbraw/zinc/23/02/12/560230212.db2.gz OEGHHNICQGOGGX-DYVFJYSZSA-N 1 0 364.446 2.404 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493645 560231832 /nfs/dbraw/zinc/23/18/32/560231832.db2.gz FHCWCCFEZFNBHG-WFASDCNBSA-N 1 0 352.387 2.003 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449615646 560234880 /nfs/dbraw/zinc/23/48/80/560234880.db2.gz MVVYGOJLLZMDSU-JPZVUWATSA-N 1 0 355.398 2.026 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000449616243 560234931 /nfs/dbraw/zinc/23/49/31/560234931.db2.gz CGZXCKBJERYOOA-CQSZACIVSA-N 1 0 366.414 2.130 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000449668522 560236218 /nfs/dbraw/zinc/23/62/18/560236218.db2.gz GQRWWIRZTQUNIH-CABCVRRESA-N 1 0 353.806 2.217 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449732653 560238449 /nfs/dbraw/zinc/23/84/49/560238449.db2.gz LYVILFZXNIQJNA-SMDDNHRTSA-N 1 0 353.806 2.228 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449737207 560238543 /nfs/dbraw/zinc/23/85/43/560238543.db2.gz YLNNMMWOICMIEM-UHIISALHSA-N 1 0 353.806 2.226 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450062191 560249593 /nfs/dbraw/zinc/24/95/93/560249593.db2.gz OJZKQCIVHSRLSI-CVEARBPZSA-N 1 0 369.425 2.479 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@@H]4CCOC4)CC3)nc2c1 ZINC000450741860 560271887 /nfs/dbraw/zinc/27/18/87/560271887.db2.gz YOOYKLXYVQDNRM-CQSZACIVSA-N 1 0 359.430 2.410 20 5 FEBDRO CCc1cc(N2CC[N@H+](CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450960221 560280032 /nfs/dbraw/zinc/28/00/32/560280032.db2.gz ZVRDWLIRNKELFJ-CQSZACIVSA-N 1 0 371.441 2.117 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335598 560301039 /nfs/dbraw/zinc/30/10/39/560301039.db2.gz DEHZQZPQZRHRSJ-QRQLOZEOSA-N 1 0 373.453 2.499 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451727304 560324926 /nfs/dbraw/zinc/32/49/26/560324926.db2.gz ANRVXVNMWZLKFI-CQSZACIVSA-N 1 0 362.430 2.309 20 5 FEBDRO CC1(C)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000451758281 560326894 /nfs/dbraw/zinc/32/68/94/560326894.db2.gz PTVSJVVCPQXOJC-XMMPIXPASA-N 1 0 353.444 2.156 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451907975 560336433 /nfs/dbraw/zinc/33/64/33/560336433.db2.gz VSDXLIYHDAIGJG-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000453092456 560383045 /nfs/dbraw/zinc/38/30/45/560383045.db2.gz QTVCJBJJBVKFOF-INIZCTEOSA-N 1 0 353.444 2.041 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000453454335 560387038 /nfs/dbraw/zinc/38/70/38/560387038.db2.gz TXCZQHFOQNEKSW-INWMFGNUSA-N 1 0 360.414 2.055 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000454076069 560427276 /nfs/dbraw/zinc/42/72/76/560427276.db2.gz ZIEVORQMHADLFO-UHFFFAOYSA-N 1 0 362.430 2.086 20 5 FEBDRO CNc1nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000227 560503981 /nfs/dbraw/zinc/50/39/81/560503981.db2.gz QVMBWRYMORTWFD-WFASDCNBSA-N 1 0 359.430 2.120 20 5 FEBDRO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(NC)n3)CCN2)cc1 ZINC000456073595 560506104 /nfs/dbraw/zinc/50/61/04/560506104.db2.gz VEERLQKVVQTOGA-INIZCTEOSA-N 1 0 369.425 2.381 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456316465 560515098 /nfs/dbraw/zinc/51/50/98/560515098.db2.gz AFECTYJRGVJQGA-HNNXBMFYSA-N 1 0 371.441 2.080 20 5 FEBDRO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517297 560629353 /nfs/dbraw/zinc/62/93/53/560629353.db2.gz SHKGYZUZNUCLIV-IAGOWNOFSA-N 1 0 364.446 2.192 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707287 560642379 /nfs/dbraw/zinc/64/23/79/560642379.db2.gz PKVGBWPSUAJPDX-ZDUSSCGKSA-N 1 0 360.418 2.095 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000459531297 560692340 /nfs/dbraw/zinc/69/23/40/560692340.db2.gz VCLOPQXSDBKRTR-UHFFFAOYSA-N 1 0 355.414 2.081 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781741 560708029 /nfs/dbraw/zinc/70/80/29/560708029.db2.gz MHXAQINMLACWMM-CVEARBPZSA-N 1 0 364.398 2.194 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000463737091 560822533 /nfs/dbraw/zinc/82/25/33/560822533.db2.gz DCCWXISGFMXXGG-MCIONIFRSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000467072573 560902957 /nfs/dbraw/zinc/90/29/57/560902957.db2.gz BQNLHEJMNZJMSJ-CMPLNLGQSA-N 1 0 361.489 2.458 20 5 FEBDRO Cc1sc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000467413204 560909707 /nfs/dbraw/zinc/90/97/07/560909707.db2.gz WHYMEBOMJXSMJA-UHFFFAOYSA-N 1 0 359.473 2.117 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468476288 560930929 /nfs/dbraw/zinc/93/09/29/560930929.db2.gz SDQYBVVRCQTHSY-INIZCTEOSA-N 1 0 363.414 2.216 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000468740296 560937576 /nfs/dbraw/zinc/93/75/76/560937576.db2.gz VWKFDIQYSAQKKD-NOPRJXFKSA-N 1 0 367.471 2.306 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470150025 560975369 /nfs/dbraw/zinc/97/53/69/560975369.db2.gz GBQJHKOBNMRTRV-LRDDRELGSA-N 1 0 358.398 2.379 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802012 561012197 /nfs/dbraw/zinc/01/21/97/561012197.db2.gz YWIUUFWTKZTAIU-HZPDHXFCSA-N 1 0 371.441 2.439 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000472559886 561029297 /nfs/dbraw/zinc/02/92/97/561029297.db2.gz HWEPMXTWSQBIKP-VXGBXAGGSA-N 1 0 366.393 2.052 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000473295484 561046911 /nfs/dbraw/zinc/04/69/11/561046911.db2.gz XSZFZGGSXWDZLF-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366094 561072296 /nfs/dbraw/zinc/07/22/96/561072296.db2.gz AKVOXOHWXTUFEM-JSGCOSHPSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)c1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000474790067 561082945 /nfs/dbraw/zinc/08/29/45/561082945.db2.gz XYYFMGPHHTWGCA-OAHLLOKOSA-N 1 0 365.430 2.195 20 5 FEBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926814 561085623 /nfs/dbraw/zinc/08/56/23/561085623.db2.gz BXUDEVMOGZBBFJ-CZUORRHYSA-N 1 0 356.444 2.163 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722718 561103321 /nfs/dbraw/zinc/10/33/21/561103321.db2.gz STDDJWULRFRNRM-GJZGRUSLSA-N 1 0 364.398 2.005 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000476067138 561110726 /nfs/dbraw/zinc/11/07/26/561110726.db2.gz ZSFHMRALFMFCCZ-AWEZNQCLSA-N 1 0 371.441 2.490 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)cc2)CC1 ZINC000476074733 561110924 /nfs/dbraw/zinc/11/09/24/561110924.db2.gz VLWHVBUBELVLIS-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000477012107 561134202 /nfs/dbraw/zinc/13/42/02/561134202.db2.gz KUGOHQXROZRCMU-UHFFFAOYSA-N 1 0 367.793 2.174 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000531137277 562435858 /nfs/dbraw/zinc/43/58/58/562435858.db2.gz QNWUHQSJSJGEJI-HOCLYGCPSA-N 1 0 364.446 2.488 20 5 FEBDRO CC(C)C[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[NH+](C)C ZINC000531655347 562452986 /nfs/dbraw/zinc/45/29/86/562452986.db2.gz FSGUWQZCTGKBCM-CYBMUJFWSA-N 1 0 372.491 2.233 20 5 FEBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532139354 562468414 /nfs/dbraw/zinc/46/84/14/562468414.db2.gz WXQMPVRSLIFNFD-UHFFFAOYSA-N 1 0 364.471 2.471 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000533447335 562509060 /nfs/dbraw/zinc/50/90/60/562509060.db2.gz JSCSWVLUYUHFAY-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000536509286 562577396 /nfs/dbraw/zinc/57/73/96/562577396.db2.gz PPSTUXYJFJDVLG-STQMWFEESA-N 1 0 360.414 2.305 20 5 FEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000536536695 562578205 /nfs/dbraw/zinc/57/82/05/562578205.db2.gz LAXZDGYJVQAOEU-NSHDSACASA-N 1 0 371.426 2.232 20 5 FEBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375711 562610718 /nfs/dbraw/zinc/61/07/18/562610718.db2.gz WTTVDTJGOBATME-ZIAGYGMSSA-N 1 0 355.460 2.289 20 5 FEBDRO COc1cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000541535199 562614773 /nfs/dbraw/zinc/61/47/73/562614773.db2.gz CMDSSCULNJKGBP-UHFFFAOYSA-N 1 0 365.430 2.491 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000555995500 674384605 /nfs/dbraw/zinc/38/46/05/674384605.db2.gz HSVAYNRVEVBRAA-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000609471164 567966656 /nfs/dbraw/zinc/96/66/56/567966656.db2.gz DNZWBLWTWJWZNU-AWEZNQCLSA-N 1 0 350.419 2.147 20 5 FEBDRO CSC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000568699439 568131816 /nfs/dbraw/zinc/13/18/16/568131816.db2.gz WJMYVXGFOZRQBA-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000569336122 568395183 /nfs/dbraw/zinc/39/51/83/568395183.db2.gz RSFQBDMDEKQTGX-HIFRSBDPSA-N 1 0 367.471 2.405 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000569718719 568413815 /nfs/dbraw/zinc/41/38/15/568413815.db2.gz GUPJMMVZWBLZDA-UHFFFAOYSA-N 1 0 353.444 2.062 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000823630542 599059096 /nfs/dbraw/zinc/05/90/96/599059096.db2.gz ZTMAHWRVUDISNO-ZDUSSCGKSA-N 1 0 357.418 2.087 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815734 674511909 /nfs/dbraw/zinc/51/19/09/674511909.db2.gz PPHWMTBRXRHKOL-VIFPVBQESA-N 1 0 365.814 2.007 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837391 674515276 /nfs/dbraw/zinc/51/52/76/674515276.db2.gz ZFFRCPDLIKNISM-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222104 606185720 /nfs/dbraw/zinc/18/57/20/606185720.db2.gz OROULMLLLUFJEP-GFCCVEGCSA-N 1 0 356.390 2.055 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560583254 674600852 /nfs/dbraw/zinc/60/08/52/674600852.db2.gz WPDOVEBFVSBXIL-HIFRSBDPSA-N 1 0 355.460 2.368 20 5 FEBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561751903 674696201 /nfs/dbraw/zinc/69/62/01/674696201.db2.gz HXDXWTNFRZLRLP-SMDDNHRTSA-N 1 0 350.396 2.378 20 5 FEBDRO COCCCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000813291572 674733965 /nfs/dbraw/zinc/73/39/65/674733965.db2.gz URUGEHYPODDSAI-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1cc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001048607855 675012105 /nfs/dbraw/zinc/01/21/05/675012105.db2.gz OGMNIELJMDMTLZ-RRCSTGOVSA-N 1 0 366.487 2.129 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3F)C[C@@H]2C1 ZINC001048814347 675015431 /nfs/dbraw/zinc/01/54/31/675015431.db2.gz GJDRRORJRASEGN-FAXLKDOZSA-N 1 0 367.808 2.035 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750302 675077166 /nfs/dbraw/zinc/07/71/66/675077166.db2.gz LDLOYDINFHOUKB-CABCVRRESA-N 1 0 353.806 2.183 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@H]2O)cc1 ZINC000564975333 675083938 /nfs/dbraw/zinc/08/39/38/675083938.db2.gz LRSRVMMCDQMODY-RHSMWYFYSA-N 1 0 370.471 2.289 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000817151529 675106246 /nfs/dbraw/zinc/10/62/46/675106246.db2.gz SUXNJAGXCMDVFA-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003508 670747645 /nfs/dbraw/zinc/74/76/45/670747645.db2.gz FDBOMPLTENKHKY-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000572882677 671055911 /nfs/dbraw/zinc/05/59/11/671055911.db2.gz NBFZSQXDXPKZHD-QJPTWQEYSA-N 1 0 353.806 2.083 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000573639774 671146461 /nfs/dbraw/zinc/14/64/61/671146461.db2.gz XAIKRKBFLDJUSJ-INIZCTEOSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818008714 675190456 /nfs/dbraw/zinc/19/04/56/675190456.db2.gz XQLLQPSNWZTACA-JDNHERCYSA-N 1 0 350.375 2.177 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000576650175 671384408 /nfs/dbraw/zinc/38/44/08/671384408.db2.gz ZEHAGIYJMHJKAR-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609189059 675913397 /nfs/dbraw/zinc/91/33/97/675913397.db2.gz JFQGDWJSSGEHGK-CYBMUJFWSA-N 1 0 355.460 2.112 20 5 FEBDRO Cc1nc(C)c(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000578619199 671677853 /nfs/dbraw/zinc/67/78/53/671677853.db2.gz FCLIBYAZAXCEIR-AWEZNQCLSA-N 1 0 351.428 2.240 20 5 FEBDRO CCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000609741582 675934928 /nfs/dbraw/zinc/93/49/28/675934928.db2.gz SFFIMLCYBSWGNU-UHFFFAOYSA-N 1 0 369.468 2.287 20 5 FEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580713723 671826740 /nfs/dbraw/zinc/82/67/40/671826740.db2.gz IGAALDPYZMQBMV-UHFFFAOYSA-N 1 0 369.365 2.409 20 5 FEBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580900067 671844575 /nfs/dbraw/zinc/84/45/75/671844575.db2.gz GCZAHSZMWVASRT-WPRPVWTQSA-N 1 0 367.349 2.114 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133821 675955920 /nfs/dbraw/zinc/95/59/20/675955920.db2.gz IJFRZMMUTRRQSZ-HYVNUMGLSA-N 1 0 352.431 2.470 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000610135421 675956218 /nfs/dbraw/zinc/95/62/18/675956218.db2.gz RPNIGPWYNYLVOO-ZIAGYGMSSA-N 1 0 355.460 2.397 20 5 FEBDRO Cc1sc(C(=O)NCc2ccncc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000582491452 672006826 /nfs/dbraw/zinc/00/68/26/672006826.db2.gz AVKCDKVQYRTQOO-UHFFFAOYSA-N 1 0 364.427 2.230 20 5 FEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000583083137 672062171 /nfs/dbraw/zinc/06/21/71/672062171.db2.gz ZOVHBRILITVYDA-BLLLJJGKSA-N 1 0 351.378 2.092 20 5 FEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000130486666 672076103 /nfs/dbraw/zinc/07/61/03/672076103.db2.gz ZBMMFVWWFFDSHK-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000583766007 672124293 /nfs/dbraw/zinc/12/42/93/672124293.db2.gz OKHJKAOGYZEVBQ-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000610576980 675982457 /nfs/dbraw/zinc/98/24/57/675982457.db2.gz OTPOHBWMFKQMSF-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610906173 676004900 /nfs/dbraw/zinc/00/49/00/676004900.db2.gz QQIKGRKRNYPBAE-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO C[C@H](CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000589191075 672512499 /nfs/dbraw/zinc/51/24/99/672512499.db2.gz IBSNJIZILGKATR-GFCCVEGCSA-N 1 0 357.476 2.446 20 5 FEBDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000589310495 672521541 /nfs/dbraw/zinc/52/15/41/672521541.db2.gz FFGHNRZLBAIFEU-UKRRQHHQSA-N 1 0 367.471 2.455 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000590402556 672579201 /nfs/dbraw/zinc/57/92/01/672579201.db2.gz FFIFPZWTRINXNZ-DGCLKSJQSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000590539691 672588200 /nfs/dbraw/zinc/58/82/00/672588200.db2.gz YLEVMWPWCHICLW-UHFFFAOYSA-N 1 0 368.231 2.443 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000590776510 672616545 /nfs/dbraw/zinc/61/65/45/672616545.db2.gz FGHXIBGLBIJTLL-RNCFNFMXSA-N 1 0 354.204 2.133 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590925483 672633099 /nfs/dbraw/zinc/63/30/99/672633099.db2.gz GWJDPNKHOYRBBT-CQSZACIVSA-N 1 0 350.419 2.005 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000591680984 672701149 /nfs/dbraw/zinc/70/11/49/672701149.db2.gz YKGBIWPMPSSHBQ-SECBINFHSA-N 1 0 361.345 2.308 20 5 FEBDRO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591925681 672722205 /nfs/dbraw/zinc/72/22/05/672722205.db2.gz WPVPPWNIXFMDEX-AWEZNQCLSA-N 1 0 350.419 2.229 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592174247 672767831 /nfs/dbraw/zinc/76/78/31/672767831.db2.gz JQXBOIPLTMIJHQ-FMKPAKJESA-N 1 0 353.444 2.056 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CCO1 ZINC000592326189 672787797 /nfs/dbraw/zinc/78/77/97/672787797.db2.gz JQKPQLIGUIVDSF-ZDUSSCGKSA-N 1 0 365.455 2.429 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592391127 672796688 /nfs/dbraw/zinc/79/66/88/672796688.db2.gz VMUBCQJCPMELRJ-GJZGRUSLSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592399386 672797673 /nfs/dbraw/zinc/79/76/73/672797673.db2.gz YVXASMGEXIZVTL-KRWDZBQOSA-N 1 0 361.423 2.150 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccccc3Cl)CCC2)c1 ZINC000593042702 672866946 /nfs/dbraw/zinc/86/69/46/672866946.db2.gz SNDHXCKMDJZHSQ-ZDUSSCGKSA-N 1 0 350.806 2.475 20 5 FEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593132154 672880920 /nfs/dbraw/zinc/88/09/20/672880920.db2.gz YIKVVFNHBWBGPY-QWHCGFSZSA-N 1 0 352.362 2.374 20 5 FEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187991 672888127 /nfs/dbraw/zinc/88/81/27/672888127.db2.gz SMBCXZWSPBVEAX-UTUOFQBUSA-N 1 0 351.403 2.165 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[N@H+](C)CC(C)C ZINC000593317756 672908295 /nfs/dbraw/zinc/90/82/95/672908295.db2.gz WUEYDNDNBLVTSW-UHFFFAOYSA-N 1 0 352.435 2.381 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000593731158 672984439 /nfs/dbraw/zinc/98/44/39/672984439.db2.gz AJIQJGOBYJYURA-GXTWGEPZSA-N 1 0 355.460 2.350 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594484376 673088306 /nfs/dbraw/zinc/08/83/06/673088306.db2.gz QJUOVQVGWIICJW-UONOGXRCSA-N 1 0 357.407 2.029 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000594525301 673094965 /nfs/dbraw/zinc/09/49/65/673094965.db2.gz VBELCWZMTXSFQJ-DZGCQCFKSA-N 1 0 359.348 2.435 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749830 673128404 /nfs/dbraw/zinc/12/84/04/673128404.db2.gz AWBWYHRCZMMSEG-HZSPNIEDSA-N 1 0 368.459 2.016 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749831 673128603 /nfs/dbraw/zinc/12/86/03/673128603.db2.gz AWBWYHRCZMMSEG-MCIONIFRSA-N 1 0 368.459 2.016 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789656 673143064 /nfs/dbraw/zinc/14/30/64/673143064.db2.gz JLZWHIJASOWPEY-LLVKDONJSA-N 1 0 359.423 2.133 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000595051735 673189449 /nfs/dbraw/zinc/18/94/49/673189449.db2.gz WBZQCEXZBVFENG-OCCSQVGLSA-N 1 0 371.459 2.068 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000595060000 673190088 /nfs/dbraw/zinc/19/00/88/673190088.db2.gz JXXKMUXJNGYBQD-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411733 673246138 /nfs/dbraw/zinc/24/61/38/673246138.db2.gz SKZPQIAMRBXMLU-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000595467306 673254507 /nfs/dbraw/zinc/25/45/07/673254507.db2.gz JYTGLDHMFRCCNV-AWEZNQCLSA-N 1 0 350.419 2.275 20 5 FEBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815280 673327400 /nfs/dbraw/zinc/32/74/00/673327400.db2.gz NQMPUXLVODJJIN-HUUCEWRRSA-N 1 0 350.415 2.368 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000595908029 673337602 /nfs/dbraw/zinc/33/76/02/673337602.db2.gz MBGAKJCTVVXGBA-SNVBAGLBSA-N 1 0 354.716 2.008 20 5 FEBDRO Cc1c(C[NH3+])c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000595959270 673343807 /nfs/dbraw/zinc/34/38/07/673343807.db2.gz MCNQWFGYCBUGHF-UHFFFAOYSA-N 1 0 367.793 2.156 20 5 FEBDRO Cc1c(C[NH3+])c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000595958543 673343895 /nfs/dbraw/zinc/34/38/95/673343895.db2.gz DAQITSMZYIRULO-UHFFFAOYSA-N 1 0 369.834 2.480 20 5 FEBDRO CCC(CC)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000596070632 673355776 /nfs/dbraw/zinc/35/57/76/673355776.db2.gz HGISYFAYKOJZCQ-AWEZNQCLSA-N 1 0 358.464 2.021 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1CC[NH+](C)CC1 ZINC000596106574 673359267 /nfs/dbraw/zinc/35/92/67/673359267.db2.gz SRWDDJZPTOSOMC-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000596147942 673363000 /nfs/dbraw/zinc/36/30/00/673363000.db2.gz YLEVTMMCEMZVRY-KRWDZBQOSA-N 1 0 362.817 2.114 20 5 FEBDRO NS(=O)(=O)c1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000596480158 673388784 /nfs/dbraw/zinc/38/87/84/673388784.db2.gz WMPFFEWXXJVRBY-GFCCVEGCSA-N 1 0 368.459 2.061 20 5 FEBDRO NS(=O)(=O)c1cccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596479734 673388797 /nfs/dbraw/zinc/38/87/97/673388797.db2.gz PHRPCWRUVOFXFS-LBPRGKRZSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1C[C@H](C)OC[C@@H]1C ZINC000596787709 673412888 /nfs/dbraw/zinc/41/28/88/673412888.db2.gz KBAVWSFGTRGZOC-STQMWFEESA-N 1 0 350.419 2.442 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000597861753 673513785 /nfs/dbraw/zinc/51/37/85/673513785.db2.gz WWMMYRNMYHYCEW-CQSZACIVSA-N 1 0 351.451 2.035 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000542498120 673586890 /nfs/dbraw/zinc/58/68/90/673586890.db2.gz OIHTZHJJLDNFDL-IOASZLSFSA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598595241 673587449 /nfs/dbraw/zinc/58/74/49/673587449.db2.gz DLMQMHVPLBDUPZ-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603476 673588594 /nfs/dbraw/zinc/58/85/94/673588594.db2.gz UKSUBNUXVSBKJD-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000598618539 673591367 /nfs/dbraw/zinc/59/13/67/673591367.db2.gz JCEQVFNCAWLWAJ-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000542750205 673601886 /nfs/dbraw/zinc/60/18/86/673601886.db2.gz AQNTUMSYAUYROU-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000598735326 673604855 /nfs/dbraw/zinc/60/48/55/673604855.db2.gz WPCHLYMNYDHRTC-UHFFFAOYSA-N 1 0 350.400 2.473 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599125641 673634854 /nfs/dbraw/zinc/63/48/54/673634854.db2.gz IIBMLUQVFIWELI-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000599182815 673639188 /nfs/dbraw/zinc/63/91/88/673639188.db2.gz CITMFPRADPNWJJ-UHFFFAOYSA-N 1 0 351.451 2.201 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000599390523 673668248 /nfs/dbraw/zinc/66/82/48/673668248.db2.gz JHXFUEPOZSRLNV-AWEZNQCLSA-N 1 0 371.434 2.419 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599412463 673671957 /nfs/dbraw/zinc/67/19/57/673671957.db2.gz JDFLNDXMPROQPC-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464726 673678492 /nfs/dbraw/zinc/67/84/92/673678492.db2.gz RFAVBFPUUUSYBL-CQSZACIVSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000599544275 673690046 /nfs/dbraw/zinc/69/00/46/673690046.db2.gz YTVILXIFKPALNU-MRXNPFEDSA-N 1 0 350.415 2.227 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2c(Cl)oc3ccccc32)c1 ZINC000600755223 673796526 /nfs/dbraw/zinc/79/65/26/673796526.db2.gz FVPIRZHSMHFKTG-LLVKDONJSA-N 1 0 350.762 2.342 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000546657045 673809612 /nfs/dbraw/zinc/80/96/12/673809612.db2.gz DRMFMMATTUHQOZ-CWRNSKLLSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372458 673850478 /nfs/dbraw/zinc/85/04/78/673850478.db2.gz YTWQAANKXQWOMY-NEPJUHHUSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601375974 673851130 /nfs/dbraw/zinc/85/11/30/673851130.db2.gz WEOBXTMTSCFJTM-UHFFFAOYSA-N 1 0 361.489 2.363 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])s1 ZINC000601422266 673860074 /nfs/dbraw/zinc/86/00/74/673860074.db2.gz RVZRAFNANIALDG-AWEZNQCLSA-N 1 0 359.473 2.071 20 5 FEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1(C)C ZINC000602174811 673902873 /nfs/dbraw/zinc/90/28/73/673902873.db2.gz UUHIBPXWNUKHLC-GJZGRUSLSA-N 1 0 367.471 2.138 20 5 FEBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H](CO)c1cccc(Br)c1 ZINC000602483557 673906528 /nfs/dbraw/zinc/90/65/28/673906528.db2.gz SEUPEDPIDWOTSQ-ZDUSSCGKSA-N 1 0 369.219 2.256 20 5 FEBDRO CN(C)S(=O)(=O)c1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602511356 673907009 /nfs/dbraw/zinc/90/70/09/673907009.db2.gz OSJUXMRDGBWACN-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[NH2+]C12CCC2 ZINC000602531782 673907375 /nfs/dbraw/zinc/90/73/75/673907375.db2.gz JXKQJTKWPLVOBA-ZDUSSCGKSA-N 1 0 368.231 2.301 20 5 FEBDRO CS(=O)(=O)c1ccc(OCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602541145 673907656 /nfs/dbraw/zinc/90/76/56/673907656.db2.gz VDBGZADCXNYJKI-UHFFFAOYSA-N 1 0 364.423 2.209 20 5 FEBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000602548979 673907884 /nfs/dbraw/zinc/90/78/84/673907884.db2.gz AREXAZUIDDBNHG-GFCCVEGCSA-N 1 0 365.455 2.348 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602579618 673908271 /nfs/dbraw/zinc/90/82/71/673908271.db2.gz BZIJBAUDHKQPJE-MRXNPFEDSA-N 1 0 367.833 2.479 20 5 FEBDRO C[S@](=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602657087 673909015 /nfs/dbraw/zinc/90/90/15/673909015.db2.gz OJARFTDHBJHYLN-SFHVURJKSA-N 1 0 353.263 2.420 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1Br ZINC000602646497 673909216 /nfs/dbraw/zinc/90/92/16/673909216.db2.gz ZZBQFYPSRBHAKX-IUCAKERBSA-N 1 0 365.249 2.153 20 5 FEBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602706286 673910297 /nfs/dbraw/zinc/91/02/97/673910297.db2.gz KHMRDBTVYXDRKV-ZCBSFCEKSA-N 1 0 366.487 2.238 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000602889782 673912870 /nfs/dbraw/zinc/91/28/70/673912870.db2.gz VMQVGTKWCTWPRM-RBSFLKMASA-N 1 0 350.419 2.153 20 5 FEBDRO CCC1([NH+](C)C)CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602966731 673914816 /nfs/dbraw/zinc/91/48/16/673914816.db2.gz PNUXJHGUBQRWQY-UHFFFAOYSA-N 1 0 369.487 2.175 20 5 FEBDRO CN(CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000818966351 675247319 /nfs/dbraw/zinc/24/73/19/675247319.db2.gz IUEYAMAOPDXNCO-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO COC1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819040067 675254604 /nfs/dbraw/zinc/25/46/04/675254604.db2.gz UJNHRWDBDFRNIR-QGZVFWFLSA-N 1 0 351.447 2.107 20 5 FEBDRO COC1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819040066 675254633 /nfs/dbraw/zinc/25/46/33/675254633.db2.gz UJNHRWDBDFRNIR-KRWDZBQOSA-N 1 0 351.447 2.107 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224355 675271242 /nfs/dbraw/zinc/27/12/42/675271242.db2.gz CJXHBWVGAWEEJH-FOSCPCJNSA-N 1 0 351.403 2.299 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567771250 675320729 /nfs/dbraw/zinc/32/07/29/675320729.db2.gz WQIQEKIKZFHWQD-SWLSCSKDSA-N 1 0 355.460 2.118 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000567782854 675322146 /nfs/dbraw/zinc/32/21/46/675322146.db2.gz DPFLUDBGSXRFSK-HOCLYGCPSA-N 1 0 367.471 2.262 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C2)C1 ZINC000820341550 675355495 /nfs/dbraw/zinc/35/54/95/675355495.db2.gz FPRRLZWFYKGTAT-HNNXBMFYSA-N 1 0 356.785 2.137 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823025184 675524045 /nfs/dbraw/zinc/52/40/45/675524045.db2.gz MTNWEJNEGAYCKO-SNVBAGLBSA-N 1 0 354.382 2.152 20 5 FEBDRO O=C(N1C[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824827119 675623733 /nfs/dbraw/zinc/62/37/33/675623733.db2.gz ANLSGRSDCUVKPI-CHWSQXEVSA-N 1 0 357.332 2.437 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(C)(C)C[NH+](C)C ZINC000826069407 675680762 /nfs/dbraw/zinc/68/07/62/675680762.db2.gz XSVCNRQPCQFALV-SECBINFHSA-N 1 0 373.251 2.458 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826954478 675718551 /nfs/dbraw/zinc/71/85/51/675718551.db2.gz SGOXSXCNTWMWHW-MRXNPFEDSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1(=O)=O ZINC000827165346 675735687 /nfs/dbraw/zinc/73/56/87/675735687.db2.gz XFJJMWADQHDAQS-UKRRQHHQSA-N 1 0 367.471 2.119 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827288895 675745663 /nfs/dbraw/zinc/74/56/63/675745663.db2.gz PUKUNNBOAIMPFG-NEPJUHHUSA-N 1 0 355.341 2.362 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930042 675802142 /nfs/dbraw/zinc/80/21/42/675802142.db2.gz GQNFGQNKVYPEEG-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1F ZINC000829625529 675885086 /nfs/dbraw/zinc/88/50/86/675885086.db2.gz FZXDRMAKUAVHNK-OAHLLOKOSA-N 1 0 359.398 2.349 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000619496593 676381610 /nfs/dbraw/zinc/38/16/10/676381610.db2.gz UXWKENVMLXTEDI-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000839092491 680737463 /nfs/dbraw/zinc/73/74/63/680737463.db2.gz XDDNXNOLDJLRRV-UHFFFAOYSA-N 1 0 357.479 2.479 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000762358556 680748096 /nfs/dbraw/zinc/74/80/96/680748096.db2.gz LVQJWSHXSPIHKL-UONOGXRCSA-N 1 0 372.878 2.164 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839497496 680757069 /nfs/dbraw/zinc/75/70/69/680757069.db2.gz ZCLDRGPPNNQQRP-GHMZBOCLSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000831594396 680009034 /nfs/dbraw/zinc/00/90/34/680009034.db2.gz UIQCKIFNXAKUMS-CYBMUJFWSA-N 1 0 350.375 2.190 20 5 FEBDRO CCO[C@@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C[NH+](C)C ZINC000831731826 680033799 /nfs/dbraw/zinc/03/37/99/680033799.db2.gz VGOOREGWGLASQH-JTQLQIEISA-N 1 0 363.336 2.310 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000749999858 680094537 /nfs/dbraw/zinc/09/45/37/680094537.db2.gz MKDNBRGKAONFAJ-ZDUSSCGKSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1cc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)cs1 ZINC000982278827 680274636 /nfs/dbraw/zinc/27/46/36/680274636.db2.gz SHGHONPGTFNZON-AHCXZYCDSA-N 1 0 363.483 2.392 20 5 FEBDRO Cc1cccc(Cl)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983656253 680318677 /nfs/dbraw/zinc/31/86/77/680318677.db2.gz ZYTLWBPFOJIHJU-BRXULGCHSA-N 1 0 351.834 2.298 20 5 FEBDRO COc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428850 680332154 /nfs/dbraw/zinc/33/21/54/680332154.db2.gz JBLHKACZJLSJBS-HUUCEWRRSA-N 1 0 367.833 2.094 20 5 FEBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000754383714 680353008 /nfs/dbraw/zinc/35/30/08/680353008.db2.gz KYEPGGNLLSFPER-CQSZACIVSA-N 1 0 361.423 2.259 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754987652 680392503 /nfs/dbraw/zinc/39/25/03/680392503.db2.gz LUUAHYWVEIQTLD-VIFPVBQESA-N 1 0 372.194 2.463 20 5 FEBDRO C[N@H+](CC1CCC(F)(F)CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985427110 680447371 /nfs/dbraw/zinc/44/73/71/680447371.db2.gz XENMPIZJMUBWIH-HUUCEWRRSA-N 1 0 359.417 2.400 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](Cc2cncs2)CC2CC2)CC1 ZINC001039485481 680463995 /nfs/dbraw/zinc/46/39/95/680463995.db2.gz AJVPZJOXWJOBMH-HZPDHXFCSA-N 1 0 364.471 2.011 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=S)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000756852374 680501716 /nfs/dbraw/zinc/50/17/16/680501716.db2.gz GLFMTVXPASIQSQ-UHFFFAOYSA-N 1 0 350.488 2.415 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000836779738 680513025 /nfs/dbraw/zinc/51/30/25/680513025.db2.gz RYJRMWRAIHIUJC-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000837175592 680563467 /nfs/dbraw/zinc/56/34/67/680563467.db2.gz ULXPYNGOIJNTRZ-UHFFFAOYSA-N 1 0 352.410 2.404 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774235 680666858 /nfs/dbraw/zinc/66/68/58/680666858.db2.gz KTJNMWUPQMFYKF-YPMHNXCESA-N 1 0 373.450 2.441 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162344 680866840 /nfs/dbraw/zinc/86/68/40/680866840.db2.gz UUESVMOMTSUHMQ-VIFPVBQESA-N 1 0 357.208 2.478 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841856766 680914897 /nfs/dbraw/zinc/91/48/97/680914897.db2.gz AVXHGDUQKROHQS-DMDPSCGWSA-N 1 0 352.822 2.436 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842486150 680950536 /nfs/dbraw/zinc/95/05/36/680950536.db2.gz SXWMAXSGMVWVOU-ONGXEEELSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000842726964 680962409 /nfs/dbraw/zinc/96/24/09/680962409.db2.gz SDUNDBBBQFHJTH-GHMZBOCLSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000842797026 680967545 /nfs/dbraw/zinc/96/75/45/680967545.db2.gz DIWMMDZOIDXQRO-JQWIXIFHSA-N 1 0 361.851 2.305 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850645 680971342 /nfs/dbraw/zinc/97/13/42/680971342.db2.gz WIIIXDRPMZQYET-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769447547 680983260 /nfs/dbraw/zinc/98/32/60/680983260.db2.gz XVOCJODKZPNOQG-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769503302 680985112 /nfs/dbraw/zinc/98/51/12/680985112.db2.gz XFHTZZUQALAZEU-GFCCVEGCSA-N 1 0 372.263 2.246 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CCO2 ZINC000844153375 681042365 /nfs/dbraw/zinc/04/23/65/681042365.db2.gz HRWWQRYKCMNRSA-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000846233418 681206757 /nfs/dbraw/zinc/20/67/57/681206757.db2.gz KMHHXBDANSNCFH-UHFFFAOYSA-N 1 0 361.851 2.306 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933441748 681412777 /nfs/dbraw/zinc/41/27/77/681412777.db2.gz CYSBSZKNWRNPRS-MRXNPFEDSA-N 1 0 352.822 2.336 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000933875797 681477900 /nfs/dbraw/zinc/47/79/00/681477900.db2.gz DURCDESGYLIRTF-RDJZCZTQSA-N 1 0 350.415 2.416 20 5 FEBDRO CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000933881951 681478316 /nfs/dbraw/zinc/47/83/16/681478316.db2.gz DNRFJBXCSWGCET-AWEZNQCLSA-N 1 0 350.415 2.475 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848509028 681566253 /nfs/dbraw/zinc/56/62/53/681566253.db2.gz RJAXNFMHXKLWAI-ZIAGYGMSSA-N 1 0 371.434 2.338 20 5 FEBDRO CS[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000935112652 681690371 /nfs/dbraw/zinc/69/03/71/681690371.db2.gz GDTCOQDAGIWRAE-GJZGRUSLSA-N 1 0 355.435 2.171 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913284783 685475094 /nfs/dbraw/zinc/47/50/94/685475094.db2.gz QNZUGGMNIOZMFO-HZPDHXFCSA-N 1 0 361.427 2.013 20 5 FEBDRO C[C@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000913943916 685489708 /nfs/dbraw/zinc/48/97/08/685489708.db2.gz ZXVDTGKNLSDXAL-BBRMVZONSA-N 1 0 353.444 2.061 20 5 FEBDRO CC1([NH2+]Cc2cccc(F)c2F)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940108149 682029863 /nfs/dbraw/zinc/02/98/63/682029863.db2.gz XEMCHUVSNIMUEJ-TZMCWYRMSA-N 1 0 353.369 2.101 20 5 FEBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000851896556 682181217 /nfs/dbraw/zinc/18/12/17/682181217.db2.gz JXCYMKCACLGQAF-LLVKDONJSA-N 1 0 365.814 2.006 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719460 682248361 /nfs/dbraw/zinc/24/83/61/682248361.db2.gz ASRDQWQLFGDBAA-AAEUAGOBSA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@]12COC[C@]1(C)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000852463377 682285241 /nfs/dbraw/zinc/28/52/41/682285241.db2.gz QGSYBCAHVZRWPD-CALCHBBNSA-N 1 0 351.378 2.421 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786153296 682354259 /nfs/dbraw/zinc/35/42/59/682354259.db2.gz OAJBZUXENUMMMO-UHFFFAOYSA-N 1 0 351.403 2.337 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000853029547 682365957 /nfs/dbraw/zinc/36/59/57/682365957.db2.gz LUEQJEVXVNGIBF-HNNXBMFYSA-N 1 0 350.444 2.135 20 5 FEBDRO CC[NH+]1CCN(CCNc2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000853151115 682383562 /nfs/dbraw/zinc/38/35/62/682383562.db2.gz MHZXDOYQNZKDEB-UHFFFAOYSA-N 1 0 370.837 2.084 20 5 FEBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437702 682529871 /nfs/dbraw/zinc/52/98/71/682529871.db2.gz SXTAFGDNIHLCHC-CHWSQXEVSA-N 1 0 358.464 2.078 20 5 FEBDRO C[NH+]1CCC2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000854498173 682558958 /nfs/dbraw/zinc/55/89/58/682558958.db2.gz MXUWGZNXBVNIQF-UHFFFAOYSA-N 1 0 351.378 2.057 20 5 FEBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000854568135 682565405 /nfs/dbraw/zinc/56/54/05/682565405.db2.gz IELGZWXQFZQPIJ-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854651564 682575468 /nfs/dbraw/zinc/57/54/68/682575468.db2.gz DTVBKODMHDPHST-DGCLKSJQSA-N 1 0 350.375 2.284 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855285918 682653611 /nfs/dbraw/zinc/65/36/11/682653611.db2.gz JMEQPCVXKYAVSW-VIFPVBQESA-N 1 0 371.235 2.355 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790265620 682663453 /nfs/dbraw/zinc/66/34/53/682663453.db2.gz NNFBRECQIDGEBD-CMPLNLGQSA-N 1 0 369.805 2.310 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000790584776 682686480 /nfs/dbraw/zinc/68/64/80/682686480.db2.gz WLQXRBDQDHPEEE-HNNXBMFYSA-N 1 0 353.394 2.349 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000856428520 682780884 /nfs/dbraw/zinc/78/08/84/682780884.db2.gz XEUKJMAFEBSOGM-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000856429306 682781242 /nfs/dbraw/zinc/78/12/42/682781242.db2.gz IYUFXMIRRBBHIQ-GFCCVEGCSA-N 1 0 355.822 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857235338 682867636 /nfs/dbraw/zinc/86/76/36/682867636.db2.gz QNUURXHEXAUPPA-YGRLFVJLSA-N 1 0 359.835 2.059 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857765104 682910698 /nfs/dbraw/zinc/91/06/98/682910698.db2.gz LRAHTDDXPATTRF-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795962274 683112850 /nfs/dbraw/zinc/11/28/50/683112850.db2.gz GPEHJJRHPDGCQN-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO C[C@H](C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096254 683201174 /nfs/dbraw/zinc/20/11/74/683201174.db2.gz VVADICQQQRBVAV-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO CCO[C@@H](CNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000921334597 683428941 /nfs/dbraw/zinc/42/89/41/683428941.db2.gz OSAFFUCAWLREJV-HOTGVXAUSA-N 1 0 352.435 2.312 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823665 683480185 /nfs/dbraw/zinc/48/01/85/683480185.db2.gz AFYPYLFMZOHZRC-TZMCWYRMSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000862031419 683519056 /nfs/dbraw/zinc/51/90/56/683519056.db2.gz GNBVCBILGCTEFA-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000921721518 683556920 /nfs/dbraw/zinc/55/69/20/683556920.db2.gz JNVNQWCFNRAECT-UHFFFAOYSA-N 1 0 353.444 2.280 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930883802 683796784 /nfs/dbraw/zinc/79/67/84/683796784.db2.gz IRCKPVROOLFUET-GXTWGEPZSA-N 1 0 366.443 2.305 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000865652078 684010491 /nfs/dbraw/zinc/01/04/91/684010491.db2.gz OCGQQXZJMKZDPR-LBPRGKRZSA-N 1 0 354.428 2.379 20 5 FEBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000866068810 684068458 /nfs/dbraw/zinc/06/84/58/684068458.db2.gz ZOWWRWBIXBWGOI-LBPRGKRZSA-N 1 0 370.247 2.452 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000866384436 684096880 /nfs/dbraw/zinc/09/68/80/684096880.db2.gz BCBHAVSBNWEQMA-LBPRGKRZSA-N 1 0 358.435 2.469 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1F ZINC000867155852 684218475 /nfs/dbraw/zinc/21/84/75/684218475.db2.gz HBXJZQUUIMLGOG-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1ccc(NC(=O)CCN2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000923442789 684281703 /nfs/dbraw/zinc/28/17/03/684281703.db2.gz MOVIBVPQYLFESL-UPJWGTAASA-N 1 0 350.419 2.003 20 5 FEBDRO O=C(CCN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1cc([N+](=O)[O-])ccc1F ZINC000923533353 684300251 /nfs/dbraw/zinc/30/02/51/684300251.db2.gz KNWUOSKHSLHJCQ-QGZVFWFLSA-N 1 0 350.394 2.281 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000867620186 684333701 /nfs/dbraw/zinc/33/37/01/684333701.db2.gz MWHPVCIDOIKMTH-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931990584 684384321 /nfs/dbraw/zinc/38/43/21/684384321.db2.gz RNOQTBAONSBBBA-CYBMUJFWSA-N 1 0 353.444 2.157 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925137594 684527389 /nfs/dbraw/zinc/52/73/89/684527389.db2.gz DCWCZSKQCUGCSN-JSGCOSHPSA-N 1 0 366.443 2.305 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000872047244 684916878 /nfs/dbraw/zinc/91/68/78/684916878.db2.gz QNWHMQJAJHWMFT-GFCCVEGCSA-N 1 0 373.500 2.393 20 5 FEBDRO COc1ccc(OCCN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151243 684922990 /nfs/dbraw/zinc/92/29/90/684922990.db2.gz JZDGGXNKYFNGTA-CMPLNLGQSA-N 1 0 363.336 2.051 20 5 FEBDRO Cc1c(C[NH2+]CCN(C)S(=O)(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000873090529 685068666 /nfs/dbraw/zinc/06/86/66/685068666.db2.gz SYNCYFLKJSYNJS-UHFFFAOYSA-N 1 0 369.468 2.375 20 5 FEBDRO Cc1c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC000873133916 685079001 /nfs/dbraw/zinc/07/90/01/685079001.db2.gz LCPPACOCXSVHNV-CQSZACIVSA-N 1 0 362.407 2.228 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000873137539 685079814 /nfs/dbraw/zinc/07/98/14/685079814.db2.gz YANIQAZNEKLKSI-UHFFFAOYSA-N 1 0 354.350 2.278 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000876864090 686284078 /nfs/dbraw/zinc/28/40/78/686284078.db2.gz KBARDJXZXIXSLO-SECBINFHSA-N 1 0 364.146 2.084 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C(F)(F)F ZINC000877357983 686361397 /nfs/dbraw/zinc/36/13/97/686361397.db2.gz AKXCXYPXJDTRTJ-RKDXNWHRSA-N 1 0 351.712 2.457 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000877375410 686368571 /nfs/dbraw/zinc/36/85/71/686368571.db2.gz SKZBXYVYCBFTBW-RMLUDKJBSA-N 1 0 372.194 2.178 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877392100 686371213 /nfs/dbraw/zinc/37/12/13/686371213.db2.gz FFLJEKSPQPKDHR-GDBMZVCRSA-N 1 0 353.806 2.418 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574993 686860995 /nfs/dbraw/zinc/86/09/95/686860995.db2.gz HSEQODXHHGJAQV-FZMZJTMJSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575948 686861714 /nfs/dbraw/zinc/86/17/14/686861714.db2.gz PCTPZLBCJBIURA-FZMZJTMJSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583414 686863247 /nfs/dbraw/zinc/86/32/47/686863247.db2.gz YUUONQVVUHQOKW-BLLLJJGKSA-N 1 0 350.394 2.089 20 5 FEBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000882768448 687479950 /nfs/dbraw/zinc/47/99/50/687479950.db2.gz FFBOAGHZWNZTOD-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000883002920 687544495 /nfs/dbraw/zinc/54/44/95/687544495.db2.gz SMROFOLDLUUULX-LLVKDONJSA-N 1 0 364.320 2.405 20 5 FEBDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883225761 687591105 /nfs/dbraw/zinc/59/11/05/687591105.db2.gz MMNLKFIMNIZQPU-SNVBAGLBSA-N 1 0 373.251 2.497 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000885872820 688174821 /nfs/dbraw/zinc/17/48/21/688174821.db2.gz KMRPECXMLLBQGN-GFCCVEGCSA-N 1 0 353.806 2.231 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886321193 688231076 /nfs/dbraw/zinc/23/10/76/688231076.db2.gz WHCHIKUEWCUTDT-LCYFTJDESA-N 1 0 353.444 2.012 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891757312 689102579 /nfs/dbraw/zinc/10/25/79/689102579.db2.gz HNQLAFLSGWRQLQ-GOEBONIOSA-N 1 0 352.822 2.375 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CCCCCO)CC2)c(C(F)(F)F)c1 ZINC000894965415 689630744 /nfs/dbraw/zinc/63/07/44/689630744.db2.gz FKUXQFXFQBMVSU-UHFFFAOYSA-N 1 0 362.352 2.293 20 5 FEBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000899736998 690416474 /nfs/dbraw/zinc/41/64/74/690416474.db2.gz WARYYXCUYLDADJ-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO CC(C)C[C@H]1C[N@H+](C)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000902541573 690776710 /nfs/dbraw/zinc/77/67/10/690776710.db2.gz HAEAVVFLWBEKDI-NSHDSACASA-N 1 0 360.256 2.173 20 5 FEBDRO COc1cc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140995 690850759 /nfs/dbraw/zinc/85/07/59/690850759.db2.gz JNRHBJQJPAKMKI-LRDDRELGSA-N 1 0 352.387 2.176 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154085 690857176 /nfs/dbraw/zinc/85/71/76/690857176.db2.gz WXSHTNCHCYVJOG-JCURWCKSSA-N 1 0 354.403 2.075 20 5 FEBDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000903464949 690897142 /nfs/dbraw/zinc/89/71/42/690897142.db2.gz CLPNHAVWNCOJEB-HZMBPMFUSA-N 1 0 352.822 2.449 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905518143 691130821 /nfs/dbraw/zinc/13/08/21/691130821.db2.gz XASJENODAOSACZ-SUNKGSAMSA-N 1 0 364.320 2.034 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906572608 691285599 /nfs/dbraw/zinc/28/55/99/691285599.db2.gz JYBFTPNQKSIYGB-OAHLLOKOSA-N 1 0 369.849 2.408 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000907782076 691559743 /nfs/dbraw/zinc/55/97/43/691559743.db2.gz ZIRKQRYALUGLKH-QGZVFWFLSA-N 1 0 369.849 2.096 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000907855063 691571132 /nfs/dbraw/zinc/57/11/32/691571132.db2.gz DUNVLDGZOOMCGN-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001164401435 718862135 /nfs/dbraw/zinc/86/21/35/718862135.db2.gz DRVAGNHONRVPCQ-BXKDBHETSA-N 1 0 362.764 2.003 20 5 FEBDRO COc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164621730 719051895 /nfs/dbraw/zinc/05/18/95/719051895.db2.gz JPMUQHSNXHCUCT-DOTOQJQBSA-N 1 0 369.425 2.494 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807996 720087574 /nfs/dbraw/zinc/08/75/74/720087574.db2.gz GUMQKKPBRVQHLY-RDTXWAMCSA-N 1 0 364.421 2.314 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813584 720088441 /nfs/dbraw/zinc/08/84/41/720088441.db2.gz TYCSHDPPJKJERR-VQIMIIECSA-N 1 0 360.458 2.483 20 5 FEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001164729242 720506813 /nfs/dbraw/zinc/50/68/13/720506813.db2.gz IZWSGSSCEVEMKQ-NSHDSACASA-N 1 0 350.810 2.038 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924735 721860290 /nfs/dbraw/zinc/86/02/90/721860290.db2.gz DDRKKRMSPYDMDC-IRXDYDNUSA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn2)cc1 ZINC001165038721 721917080 /nfs/dbraw/zinc/91/70/80/721917080.db2.gz PHNJEFYNDVVFDY-KRWDZBQOSA-N 1 0 369.425 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCc4ccccn4)CC3)cnc2c1 ZINC001165054276 722009887 /nfs/dbraw/zinc/00/98/87/722009887.db2.gz WDHYUPYYAIHKCN-UHFFFAOYSA-N 1 0 364.409 2.298 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000023673030 539718363 /nfs/dbraw/zinc/71/83/63/539718363.db2.gz IWPPIBYLJIVPKC-OKILXGFUSA-N 1 0 367.471 2.302 20 5 FEBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198125 539780590 /nfs/dbraw/zinc/78/05/90/539780590.db2.gz FABFULOAQBMFGP-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000027118283 539800876 /nfs/dbraw/zinc/80/08/76/539800876.db2.gz XYJJHXGNMXHIKT-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000030339107 539879771 /nfs/dbraw/zinc/87/97/71/539879771.db2.gz VJNDVTRMFQTGSI-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441196 539939540 /nfs/dbraw/zinc/93/95/40/539939540.db2.gz BQJYOAWZSXPVAQ-QWHCGFSZSA-N 1 0 371.459 2.145 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000800827875 674079656 /nfs/dbraw/zinc/07/96/56/674079656.db2.gz DRJRAPPALWKGEC-INIZCTEOSA-N 1 0 350.488 2.428 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000044695608 540136527 /nfs/dbraw/zinc/13/65/27/540136527.db2.gz PWNFZFKQJMKOSD-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000046479051 540259320 /nfs/dbraw/zinc/25/93/20/540259320.db2.gz NCJDBECCTSHYOO-MRXNPFEDSA-N 1 0 372.381 2.334 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000048605039 540367952 /nfs/dbraw/zinc/36/79/52/540367952.db2.gz OOLYSLQXURVYHI-UHFFFAOYSA-N 1 0 362.430 2.267 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000048669090 540369234 /nfs/dbraw/zinc/36/92/34/540369234.db2.gz JOGRUOUBSKDVGJ-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000051763907 540443578 /nfs/dbraw/zinc/44/35/78/540443578.db2.gz SEYSZDPIXMIUQD-GASCZTMLSA-N 1 0 361.442 2.443 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000052247432 540460165 /nfs/dbraw/zinc/46/01/65/540460165.db2.gz USVNVFVAVDVQIL-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000055281237 540642612 /nfs/dbraw/zinc/64/26/12/540642612.db2.gz CJZQFTZWUBTVMC-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000055281217 540642646 /nfs/dbraw/zinc/64/26/46/540642646.db2.gz BLFZTLJPUNLNMM-ZDUSSCGKSA-N 1 0 355.460 2.304 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000055298105 540645168 /nfs/dbraw/zinc/64/51/68/540645168.db2.gz QMPPCOPFHDWHHB-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000055986497 540692514 /nfs/dbraw/zinc/69/25/14/540692514.db2.gz GZIIOUXARMEDJY-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000056891157 540753790 /nfs/dbraw/zinc/75/37/90/540753790.db2.gz OXAXOBSODPBCFE-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000060470609 541112779 /nfs/dbraw/zinc/11/27/79/541112779.db2.gz ZGHAHPYHRIGYGG-JQWIXIFHSA-N 1 0 353.806 2.368 20 5 FEBDRO CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000065777097 541260907 /nfs/dbraw/zinc/26/09/07/541260907.db2.gz MMPQQXPRSANIPP-UHFFFAOYSA-N 1 0 371.441 2.135 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396313 541313319 /nfs/dbraw/zinc/31/33/19/541313319.db2.gz BWPFOYRWYIDWRI-LQYUOIDQSA-N 1 0 359.426 2.320 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000066924047 541394725 /nfs/dbraw/zinc/39/47/25/541394725.db2.gz YWSSUCFKZUCGOF-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067135455 541422302 /nfs/dbraw/zinc/42/23/02/541422302.db2.gz VTXJGDZJHBXMKG-UHFFFAOYSA-N 1 0 372.429 2.026 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067139490 541423185 /nfs/dbraw/zinc/42/31/85/541423185.db2.gz PFEYQWOOJMQPME-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000068084483 541545812 /nfs/dbraw/zinc/54/58/12/541545812.db2.gz CXNFDUNTVYWELB-OLZOCXBDSA-N 1 0 365.430 2.462 20 5 FEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000068386523 541585886 /nfs/dbraw/zinc/58/58/86/541585886.db2.gz YCBLAQQANXASBC-CQSZACIVSA-N 1 0 372.425 2.002 20 5 FEBDRO CC(C)[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000069440727 541687308 /nfs/dbraw/zinc/68/73/08/541687308.db2.gz RILRWLSMXNBUTL-QGZVFWFLSA-N 1 0 364.446 2.393 20 5 FEBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000069406647 541684301 /nfs/dbraw/zinc/68/43/01/541684301.db2.gz XPPMSOBUBMGULB-CABCVRRESA-N 1 0 364.446 2.393 20 5 FEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000071027285 541759553 /nfs/dbraw/zinc/75/95/53/541759553.db2.gz RPDZUBAKGXKKDP-UHFFFAOYSA-N 1 0 367.321 2.199 20 5 FEBDRO CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665161 541847203 /nfs/dbraw/zinc/84/72/03/541847203.db2.gz OYRPHRKGMAEZNN-OAHLLOKOSA-N 1 0 355.398 2.036 20 5 FEBDRO C[NH+](C)C1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCOCC1 ZINC000072947587 541896037 /nfs/dbraw/zinc/89/60/37/541896037.db2.gz LIZDFEZSOYFQOR-UHFFFAOYSA-N 1 0 362.430 2.010 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000073028177 541910630 /nfs/dbraw/zinc/91/06/30/541910630.db2.gz HZVTVFFZNIYBKU-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075657778 542196043 /nfs/dbraw/zinc/19/60/43/542196043.db2.gz KDXKVWUPGFLPGB-UHFFFAOYSA-N 1 0 355.460 2.229 20 5 FEBDRO C[C@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000075749169 542202265 /nfs/dbraw/zinc/20/22/65/542202265.db2.gz AIUQNMWDVLXJOP-COXVUDFISA-N 1 0 362.455 2.331 20 5 FEBDRO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075750889 542202585 /nfs/dbraw/zinc/20/25/85/542202585.db2.gz VUKUAHHSVFQTHP-LXZKKBNFSA-N 1 0 360.414 2.039 20 5 FEBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075839073 542207398 /nfs/dbraw/zinc/20/73/98/542207398.db2.gz QJFKVISUWFYELI-ZWKOTPCHSA-N 1 0 359.430 2.055 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000801546640 674134676 /nfs/dbraw/zinc/13/46/76/674134676.db2.gz NRVDOGAJZOHNKO-NEPJUHHUSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000076329581 542260752 /nfs/dbraw/zinc/26/07/52/542260752.db2.gz XGHOROSHALVWRC-HNNXBMFYSA-N 1 0 350.419 2.262 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247419503 549331387 /nfs/dbraw/zinc/33/13/87/549331387.db2.gz KDDJIMQZJFBVFS-ZIAGYGMSSA-N 1 0 353.444 2.008 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCOCC1CC1 ZINC000088601397 542754717 /nfs/dbraw/zinc/75/47/17/542754717.db2.gz CMJGSYMHINBOHS-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1cccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961881 542778291 /nfs/dbraw/zinc/77/82/91/542778291.db2.gz SQXHZIGDUYJUNF-DLBZAZTESA-N 1 0 369.421 2.268 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332635 543065673 /nfs/dbraw/zinc/06/56/73/543065673.db2.gz LTZZWVDZKGQREB-CQSZACIVSA-N 1 0 351.451 2.155 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000102410354 543069340 /nfs/dbraw/zinc/06/93/40/543069340.db2.gz DULGROOUKHETRG-AWEZNQCLSA-N 1 0 373.413 2.466 20 5 FEBDRO Cn1cc(C(=O)NCCC2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000102640109 543076135 /nfs/dbraw/zinc/07/61/35/543076135.db2.gz UVKBWQLVENVVKI-UHFFFAOYSA-N 1 0 371.441 2.457 20 5 FEBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C1 ZINC000102733365 543078785 /nfs/dbraw/zinc/07/87/85/543078785.db2.gz NHTDOHKLWHQIHT-UHFFFAOYSA-N 1 0 358.402 2.187 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104785717 543143524 /nfs/dbraw/zinc/14/35/24/543143524.db2.gz GYTXBYUIDPPRAG-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCN1c1cccnn1 ZINC000106086128 543193170 /nfs/dbraw/zinc/19/31/70/543193170.db2.gz JURANBVKTGJCKV-OAHLLOKOSA-N 1 0 357.414 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891932 543252813 /nfs/dbraw/zinc/25/28/13/543252813.db2.gz CUCHOAJESUUAKE-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H](C)O ZINC000107041227 543259759 /nfs/dbraw/zinc/25/97/59/543259759.db2.gz LAWHDBMDKPQBCR-SNVBAGLBSA-N 1 0 374.235 2.387 20 5 FEBDRO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H](C)O ZINC000107041229 543259937 /nfs/dbraw/zinc/25/99/37/543259937.db2.gz LAWHDBMDKPQBCR-JTQLQIEISA-N 1 0 374.235 2.387 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107873953 543280290 /nfs/dbraw/zinc/28/02/90/543280290.db2.gz SAILJAQHDBGXBC-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO O=[N+]([O-])c1c(N2CCC(CC[NH+]3CCOCC3)CC2)nc2sccn21 ZINC000109544456 543327429 /nfs/dbraw/zinc/32/74/29/543327429.db2.gz AWNHCCOMKDJHFK-UHFFFAOYSA-N 1 0 365.459 2.243 20 5 FEBDRO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@H](CO)C3)ncn2)cc1 ZINC000110263888 543353614 /nfs/dbraw/zinc/35/36/14/543353614.db2.gz HULNCGATZOKFTF-HNNXBMFYSA-N 1 0 357.414 2.248 20 5 FEBDRO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000110356275 543356024 /nfs/dbraw/zinc/35/60/24/543356024.db2.gz CRPBTSYYZWSCDK-AWEZNQCLSA-N 1 0 359.430 2.163 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C2OCCO2)CC1 ZINC000110455404 543358162 /nfs/dbraw/zinc/35/81/62/543358162.db2.gz BFPKCPHYABODJH-UHFFFAOYSA-N 1 0 363.414 2.317 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000113248534 543479180 /nfs/dbraw/zinc/47/91/80/543479180.db2.gz NNPMWHKZCYEKEP-UKRRQHHQSA-N 1 0 369.425 2.232 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000116127672 543599743 /nfs/dbraw/zinc/59/97/43/543599743.db2.gz DTLDBASIELMCJR-INIZCTEOSA-N 1 0 374.445 2.272 20 5 FEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247477941 549339872 /nfs/dbraw/zinc/33/98/72/549339872.db2.gz JWACMHMLHUDELQ-ARFHVFGLSA-N 1 0 354.451 2.068 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000117336090 543629318 /nfs/dbraw/zinc/62/93/18/543629318.db2.gz VYRZPCMSBKHXQI-CYBMUJFWSA-N 1 0 371.397 2.496 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000123010012 543737069 /nfs/dbraw/zinc/73/70/69/543737069.db2.gz QJTFQZHWLNCSDU-UHFFFAOYSA-N 1 0 354.413 2.005 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000122633924 543715448 /nfs/dbraw/zinc/71/54/48/543715448.db2.gz WFBXUKIFHZFDAO-GFCCVEGCSA-N 1 0 355.822 2.317 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000124555489 543828924 /nfs/dbraw/zinc/82/89/24/543828924.db2.gz DIVCPKPYUCCILT-ZYHUDNBSSA-N 1 0 361.489 2.316 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000124555300 543828884 /nfs/dbraw/zinc/82/88/84/543828884.db2.gz DIVCPKPYUCCILT-PWSUYJOCSA-N 1 0 361.489 2.316 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124703350 543837672 /nfs/dbraw/zinc/83/76/72/543837672.db2.gz ZNRFJFZCTLCFQF-TZMCWYRMSA-N 1 0 372.429 2.039 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000125234114 543869789 /nfs/dbraw/zinc/86/97/89/543869789.db2.gz FGQGNNUQMDOSBN-UHFFFAOYSA-N 1 0 366.381 2.362 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125456467 543882414 /nfs/dbraw/zinc/88/24/14/543882414.db2.gz GFKNPQFTOAMHAE-MRXNPFEDSA-N 1 0 371.441 2.313 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)CNc2ccccc2[N+](=O)[O-])o1 ZINC000126049267 543915401 /nfs/dbraw/zinc/91/54/01/543915401.db2.gz YXZZSAKHXHMYDD-UHFFFAOYSA-N 1 0 360.414 2.499 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000126727257 543953379 /nfs/dbraw/zinc/95/33/79/543953379.db2.gz QTAATEQOSTVZMB-AWEZNQCLSA-N 1 0 367.471 2.403 20 5 FEBDRO Nc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126828006 543958743 /nfs/dbraw/zinc/95/87/43/543958743.db2.gz BTPRUOJLRQYYHI-XHDPSFHLSA-N 1 0 362.405 2.405 20 5 FEBDRO CCC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128623226 544063152 /nfs/dbraw/zinc/06/31/52/544063152.db2.gz LPOYNRWFCWDTIA-UHFFFAOYSA-N 1 0 352.410 2.480 20 5 FEBDRO CCN(CC)C(=O)[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128430123 544052517 /nfs/dbraw/zinc/05/25/17/544052517.db2.gz GBCHEEAQNCPXOJ-HNNXBMFYSA-N 1 0 373.413 2.478 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000129097535 544090674 /nfs/dbraw/zinc/09/06/74/544090674.db2.gz ADOFRTRPRMTGHA-NXHRZFHOSA-N 1 0 360.414 2.305 20 5 FEBDRO O=C(CC[N@@H+]1CCCN(CC(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129613230 544120884 /nfs/dbraw/zinc/12/08/84/544120884.db2.gz SJNIGTUGOYUUKZ-UHFFFAOYSA-N 1 0 374.363 2.335 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000130476012 544152491 /nfs/dbraw/zinc/15/24/91/544152491.db2.gz DCCYEMWOPQTDII-GRYCIOLGSA-N 1 0 361.489 2.301 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000133508189 544272960 /nfs/dbraw/zinc/27/29/60/544272960.db2.gz POKXYZMZONNWTE-QGZVFWFLSA-N 1 0 371.441 2.280 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134596301 544314062 /nfs/dbraw/zinc/31/40/62/544314062.db2.gz OIQCZCUNODIIOV-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000135546377 544352145 /nfs/dbraw/zinc/35/21/45/544352145.db2.gz MUTINTPVOPPCAI-OAHLLOKOSA-N 1 0 359.382 2.075 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000139407845 544402271 /nfs/dbraw/zinc/40/22/71/544402271.db2.gz GHFIFZVBJOCQPL-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814507 544475473 /nfs/dbraw/zinc/47/54/73/544475473.db2.gz YJRXBLDUPYSJJE-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000150876594 544481906 /nfs/dbraw/zinc/48/19/06/544481906.db2.gz DJZMFJKRPYZLMY-UKRRQHHQSA-N 1 0 356.430 2.456 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151677876 544568637 /nfs/dbraw/zinc/56/86/37/544568637.db2.gz FJGGPUPWWBOCPC-UHFFFAOYSA-N 1 0 374.445 2.085 20 5 FEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152322338 544638570 /nfs/dbraw/zinc/63/85/70/544638570.db2.gz PVGKGGTZPYHNEI-CQSZACIVSA-N 1 0 374.445 2.220 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152875624 544706195 /nfs/dbraw/zinc/70/61/95/544706195.db2.gz RPDLCFHFOMIBDF-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903883 544709515 /nfs/dbraw/zinc/70/95/15/544709515.db2.gz YPTQNGSLKUDREL-IAGOWNOFSA-N 1 0 350.415 2.226 20 5 FEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903803 544709806 /nfs/dbraw/zinc/70/98/06/544709806.db2.gz YPTQNGSLKUDREL-IRXDYDNUSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C1CCC1 ZINC000153159317 544739825 /nfs/dbraw/zinc/73/98/25/544739825.db2.gz BPTIONKFUXAZTK-LBPRGKRZSA-N 1 0 370.475 2.035 20 5 FEBDRO COCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000553330498 674253835 /nfs/dbraw/zinc/25/38/35/674253835.db2.gz DSCCCTTXMVEBGA-UHFFFAOYSA-N 1 0 351.403 2.213 20 5 FEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000553487424 674265455 /nfs/dbraw/zinc/26/54/55/674265455.db2.gz UVQMGVAHAXPMGJ-UHFFFAOYSA-N 1 0 351.451 2.251 20 5 FEBDRO O=C(NCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000180221202 327676818 /nfs/dbraw/zinc/67/68/18/327676818.db2.gz XULRVWKEAMTIPD-GOSISDBHSA-N 1 0 365.393 2.427 20 5 FEBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007829 327756452 /nfs/dbraw/zinc/75/64/52/327756452.db2.gz LVJZGGLSTAEOEJ-SWLSCSKDSA-N 1 0 362.430 2.336 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000183666070 327829532 /nfs/dbraw/zinc/82/95/32/327829532.db2.gz WSVWVVPZMKBKJW-MRXNPFEDSA-N 1 0 371.503 2.423 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000183622071 327827122 /nfs/dbraw/zinc/82/71/22/327827122.db2.gz ZGJZTFVZSAZDLR-CYBMUJFWSA-N 1 0 353.423 2.171 20 5 FEBDRO CC(C)[NH+](CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C(C)C ZINC000183935481 327842660 /nfs/dbraw/zinc/84/26/60/327842660.db2.gz OHEHQQABRFKHQL-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186848680 327986311 /nfs/dbraw/zinc/98/63/11/327986311.db2.gz OEDUXJSKQSFTQW-RNCFNFMXSA-N 1 0 356.220 2.014 20 5 FEBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188303185 328079440 /nfs/dbraw/zinc/07/94/40/328079440.db2.gz KQQMSYYPWGDCLU-UHFFFAOYSA-N 1 0 372.425 2.332 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000189261994 328137627 /nfs/dbraw/zinc/13/76/27/328137627.db2.gz HHOVQAWDMFCFAV-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000189399427 328145484 /nfs/dbraw/zinc/14/54/84/328145484.db2.gz ZGGNLMZNGFWUGG-INIZCTEOSA-N 1 0 360.414 2.010 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190031006 328183691 /nfs/dbraw/zinc/18/36/91/328183691.db2.gz MGTIEWOICBOROB-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190031776 328183822 /nfs/dbraw/zinc/18/38/22/328183822.db2.gz ORMFCTZDUXILEP-ZDUSSCGKSA-N 1 0 350.419 2.212 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191966610 328290752 /nfs/dbraw/zinc/29/07/52/328290752.db2.gz HBGTUTHAWAOJTQ-UHOSZYNNSA-N 1 0 358.394 2.454 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000192010133 328293966 /nfs/dbraw/zinc/29/39/66/328293966.db2.gz ZGTCATMTNNOUJH-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO CCOC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)(N2CCOCC2)C1 ZINC000195460043 328478432 /nfs/dbraw/zinc/47/84/32/328478432.db2.gz ULFSSERPMRSJQL-UHFFFAOYSA-N 1 0 363.458 2.263 20 5 FEBDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000048693268 324671199 /nfs/dbraw/zinc/67/11/99/324671199.db2.gz XEOWEEZFZWKHQU-UHFFFAOYSA-N 1 0 370.837 2.422 20 5 FEBDRO CC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000236946675 328498979 /nfs/dbraw/zinc/49/89/79/328498979.db2.gz SQRGTHZRJXQPFZ-KGLIPLIRSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079654722 325100653 /nfs/dbraw/zinc/10/06/53/325100653.db2.gz ZQKBXKYLTNFTPB-UHFFFAOYSA-N 1 0 365.478 2.364 20 5 FEBDRO CN(CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079677977 325101379 /nfs/dbraw/zinc/10/13/79/325101379.db2.gz VCBOPRKNICTCST-KRWDZBQOSA-N 1 0 370.453 2.320 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598817 325187203 /nfs/dbraw/zinc/18/72/03/325187203.db2.gz UBCJNIZAXKFXQY-KRWDZBQOSA-N 1 0 363.458 2.285 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087322101 325279151 /nfs/dbraw/zinc/27/91/51/325279151.db2.gz BEVLSDHUBOTDSY-LJQANCHMSA-N 1 0 374.485 2.156 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000087314896 325279494 /nfs/dbraw/zinc/27/94/94/325279494.db2.gz RBUNOUFFBRHXSJ-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000090799033 325368478 /nfs/dbraw/zinc/36/84/78/325368478.db2.gz LCCNYVVWSPWDRM-TZMCWYRMSA-N 1 0 371.459 2.068 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119032041 326119999 /nfs/dbraw/zinc/11/99/99/326119999.db2.gz DHBBFMCFCDHBNR-OAHLLOKOSA-N 1 0 372.429 2.236 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119506677 326169886 /nfs/dbraw/zinc/16/98/86/326169886.db2.gz YIXWPQBKKNWNKI-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000119594496 326178849 /nfs/dbraw/zinc/17/88/49/326178849.db2.gz UAQKPMXLEGGJLA-HNNXBMFYSA-N 1 0 371.441 2.488 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000119966566 326216785 /nfs/dbraw/zinc/21/67/85/326216785.db2.gz PHVUELXCPPMQHI-JLZZUVOBSA-N 1 0 363.414 2.287 20 5 FEBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000120209240 326240992 /nfs/dbraw/zinc/24/09/92/326240992.db2.gz RDZDUUKRJLWSEF-HNNXBMFYSA-N 1 0 353.806 2.458 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000120690962 326279342 /nfs/dbraw/zinc/27/93/42/326279342.db2.gz KDVLMBGNBYJSEQ-UHFFFAOYSA-N 1 0 351.403 2.411 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121362769 326332651 /nfs/dbraw/zinc/33/26/51/326332651.db2.gz KRLOQIVZTGFMFW-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO O=C(NCCc1cn2c(n1)CCCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000121984525 326379501 /nfs/dbraw/zinc/37/95/01/326379501.db2.gz RRZGFOSNKSYLPD-UHFFFAOYSA-N 1 0 369.425 2.438 20 5 FEBDRO Cn1ccnc1CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000122034465 326381384 /nfs/dbraw/zinc/38/13/84/326381384.db2.gz TTWYXJLFWHNCHQ-UHFFFAOYSA-N 1 0 361.377 2.145 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000124516435 326455390 /nfs/dbraw/zinc/45/53/90/326455390.db2.gz VWQYIXLPHDATPI-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000128598766 326526687 /nfs/dbraw/zinc/52/66/87/326526687.db2.gz TXZNMYSMIKKGKF-UHFFFAOYSA-N 1 0 359.430 2.409 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128859977 326530915 /nfs/dbraw/zinc/53/09/15/326530915.db2.gz WQKMKSYSSHLZCO-WMZOPIPTSA-N 1 0 369.425 2.454 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+]2CCCC2)cc1 ZINC000129253318 326537236 /nfs/dbraw/zinc/53/72/36/326537236.db2.gz RYUHYCUISBUESJ-MRXNPFEDSA-N 1 0 357.414 2.053 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000129870409 326547593 /nfs/dbraw/zinc/54/75/93/326547593.db2.gz PGEHCDXSVWVNOQ-KRWDZBQOSA-N 1 0 371.441 2.271 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833448 326564100 /nfs/dbraw/zinc/56/41/00/326564100.db2.gz URFCIHIFEJOWQN-QWRGUYRKSA-N 1 0 373.356 2.339 20 5 FEBDRO Cc1sc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000150838475 326669036 /nfs/dbraw/zinc/66/90/36/326669036.db2.gz KDTILZCMBCEFKO-UHFFFAOYSA-N 1 0 362.411 2.378 20 5 FEBDRO CC1CC[NH+](CCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000154006195 326748616 /nfs/dbraw/zinc/74/86/16/326748616.db2.gz WUOMTPGJBFEYKN-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO O=C1CCCCN1CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154551066 326763129 /nfs/dbraw/zinc/76/31/29/326763129.db2.gz BQPRVOVJEPJOHL-SFHVURJKSA-N 1 0 361.442 2.353 20 5 FEBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000156728546 326842064 /nfs/dbraw/zinc/84/20/64/326842064.db2.gz LPPVOWSEFYROBQ-IINYFYTJSA-N 1 0 370.247 2.486 20 5 FEBDRO Cn1cc(C[NH+]2CCC(CC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000159725090 326940247 /nfs/dbraw/zinc/94/02/47/326940247.db2.gz IQUHXPVGTVXGCS-UHFFFAOYSA-N 1 0 357.414 2.083 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc([N+](=O)[O-])c(N)n1 ZINC000161862686 327011029 /nfs/dbraw/zinc/01/10/29/327011029.db2.gz UVKXERCQTMVUOJ-UHFFFAOYSA-N 1 0 350.345 2.068 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000162101466 327017080 /nfs/dbraw/zinc/01/70/80/327017080.db2.gz ZMCAFAIRXGFURD-NSHDSACASA-N 1 0 355.441 2.285 20 5 FEBDRO CC[C@@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000164297681 327068177 /nfs/dbraw/zinc/06/81/77/327068177.db2.gz HLEIROUPTIEHBH-GOSISDBHSA-N 1 0 370.457 2.248 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164439797 327070372 /nfs/dbraw/zinc/07/03/72/327070372.db2.gz VCTDPZNYVMXZIB-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO CN(C(=O)CN1CCC(C[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000171387930 327136316 /nfs/dbraw/zinc/13/63/16/327136316.db2.gz GCITVUDUDZRTRC-UHFFFAOYSA-N 1 0 360.458 2.365 20 5 FEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000171505019 327143014 /nfs/dbraw/zinc/14/30/14/327143014.db2.gz BCXRSRRHYHNRTO-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CCc1n[nH]c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000171774943 327160832 /nfs/dbraw/zinc/16/08/32/327160832.db2.gz NMICNIJEVFNMFX-UHFFFAOYSA-N 1 0 357.414 2.406 20 5 FEBDRO Cc1ccc(F)c(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000172043963 327177480 /nfs/dbraw/zinc/17/74/80/327177480.db2.gz NXSHLTGEZWZVSR-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172348168 327197175 /nfs/dbraw/zinc/19/71/75/327197175.db2.gz KCHHMPCDVGGLHT-CYBMUJFWSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000172584529 327209851 /nfs/dbraw/zinc/20/98/51/327209851.db2.gz HVZMUZTWDQZASN-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173263985 327245117 /nfs/dbraw/zinc/24/51/17/327245117.db2.gz COMNPTHEIYKAHK-HIFRSBDPSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343834 327250968 /nfs/dbraw/zinc/25/09/68/327250968.db2.gz LTUXUJNIZPUQBF-YOEHRIQHSA-N 1 0 351.472 2.453 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000173516075 327263017 /nfs/dbraw/zinc/26/30/17/327263017.db2.gz NWERMHBHYWNVJN-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO COc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1 ZINC000173561467 327266599 /nfs/dbraw/zinc/26/65/99/327266599.db2.gz FRALGKSEIYXKNM-KDOFPFPSSA-N 1 0 374.441 2.462 20 5 FEBDRO COc1ccccc1CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173619751 327271407 /nfs/dbraw/zinc/27/14/07/327271407.db2.gz JPPPBZCTYIRYHA-GOSISDBHSA-N 1 0 374.441 2.116 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954879 327297533 /nfs/dbraw/zinc/29/75/33/327297533.db2.gz IQZKYYRBIFJPME-WBVHZDCISA-N 1 0 351.447 2.141 20 5 FEBDRO C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC000174074079 327304761 /nfs/dbraw/zinc/30/47/61/327304761.db2.gz YMRIFYJEVIUKRM-CYBMUJFWSA-N 1 0 354.370 2.300 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000174657756 327341643 /nfs/dbraw/zinc/34/16/43/327341643.db2.gz ZISXCSPVYXMFPJ-HNNXBMFYSA-N 1 0 371.397 2.173 20 5 FEBDRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000175032188 327369412 /nfs/dbraw/zinc/36/94/12/327369412.db2.gz DWTFQJKLTDMMTJ-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077938 327372661 /nfs/dbraw/zinc/37/26/61/327372661.db2.gz FXCJTSIDHXRGGT-NEPJUHHUSA-N 1 0 361.851 2.399 20 5 FEBDRO NC(=O)C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000175221322 327380913 /nfs/dbraw/zinc/38/09/13/327380913.db2.gz MSAZDBCRRDCLBS-CYBMUJFWSA-N 1 0 358.398 2.380 20 5 FEBDRO NC(=O)C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000175221347 327380982 /nfs/dbraw/zinc/38/09/82/327380982.db2.gz MSAZDBCRRDCLBS-ZDUSSCGKSA-N 1 0 358.398 2.380 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175280317 327384381 /nfs/dbraw/zinc/38/43/81/327384381.db2.gz MHILOJZICRCNIG-AWEZNQCLSA-N 1 0 364.446 2.460 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175903848 327420298 /nfs/dbraw/zinc/42/02/98/327420298.db2.gz ZTRSCKHNRXRZGV-LSDHHAIUSA-N 1 0 362.430 2.020 20 5 FEBDRO Cc1sc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000175983477 327426056 /nfs/dbraw/zinc/42/60/56/327426056.db2.gz GMVUVRJDCITRJV-CQSZACIVSA-N 1 0 366.487 2.207 20 5 FEBDRO CSc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178121511 327566691 /nfs/dbraw/zinc/56/66/91/327566691.db2.gz BCWVSKOKXMXCRQ-ZDUSSCGKSA-N 1 0 365.455 2.111 20 5 FEBDRO COc1cc(CCNC(=O)[C@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178348535 327579659 /nfs/dbraw/zinc/57/96/59/327579659.db2.gz WKNAMRNJUCRBFN-OAHLLOKOSA-N 1 0 373.409 2.013 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261660972 328809486 /nfs/dbraw/zinc/80/94/86/328809486.db2.gz GUMPZXIAUNSHIK-QAPCUYQASA-N 1 0 355.394 2.175 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261711665 328813654 /nfs/dbraw/zinc/81/36/54/328813654.db2.gz PRIHVQGBTJNKEV-ZDUSSCGKSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261818102 328821966 /nfs/dbraw/zinc/82/19/66/328821966.db2.gz WKWDKAAMTLRUTJ-GXFFZTMASA-N 1 0 361.851 2.447 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000263906901 328973966 /nfs/dbraw/zinc/97/39/66/328973966.db2.gz ZYDWNXRLMYWHHH-UHFFFAOYSA-N 1 0 360.414 2.307 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264360843 329014250 /nfs/dbraw/zinc/01/42/50/329014250.db2.gz AVFWJEKQNFTONE-OAHLLOKOSA-N 1 0 363.418 2.109 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264633002 329043020 /nfs/dbraw/zinc/04/30/20/329043020.db2.gz MIZZAMPJOLUART-AWEZNQCLSA-N 1 0 358.442 2.409 20 5 FEBDRO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000264945443 329077209 /nfs/dbraw/zinc/07/72/09/329077209.db2.gz JKMMGYHLINOZTM-KBPBESRZSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc(NC(=O)CCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000264945447 329077260 /nfs/dbraw/zinc/07/72/60/329077260.db2.gz JKMMGYHLINOZTM-UONOGXRCSA-N 1 0 362.430 2.101 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000265108062 329091760 /nfs/dbraw/zinc/09/17/60/329091760.db2.gz GRTZBUUNTNBLEY-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294712 329111564 /nfs/dbraw/zinc/11/15/64/329111564.db2.gz NGEPJGIIRBAJKD-JKSUJKDBSA-N 1 0 356.382 2.205 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000265628004 329144575 /nfs/dbraw/zinc/14/45/75/329144575.db2.gz RYFANYBDNWLZPF-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000265925764 329173235 /nfs/dbraw/zinc/17/32/35/329173235.db2.gz DNEMTYKVHYBJPJ-UHFFFAOYSA-N 1 0 365.430 2.462 20 5 FEBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982738 329179048 /nfs/dbraw/zinc/17/90/48/329179048.db2.gz MRYRCTGXWGYRQT-SJORKVTESA-N 1 0 350.415 2.226 20 5 FEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982736 329179180 /nfs/dbraw/zinc/17/91/80/329179180.db2.gz MRYRCTGXWGYRQT-IAGOWNOFSA-N 1 0 350.415 2.226 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266207073 329200683 /nfs/dbraw/zinc/20/06/83/329200683.db2.gz LLBZIFDJWSQSQM-ZDUSSCGKSA-N 1 0 355.460 2.166 20 5 FEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000266634477 329244087 /nfs/dbraw/zinc/24/40/87/329244087.db2.gz JCEXYMXPEVBLRL-AWEZNQCLSA-N 1 0 373.413 2.151 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000266778299 329259112 /nfs/dbraw/zinc/25/91/12/329259112.db2.gz AECYAWKAZBGVOH-UHFFFAOYSA-N 1 0 355.460 2.295 20 5 FEBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c([N+](=O)[O-])cc1OC ZINC000267228970 329304432 /nfs/dbraw/zinc/30/44/32/329304432.db2.gz IPKUSOPJBDVSPZ-UHFFFAOYSA-N 1 0 360.370 2.321 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267380767 329321263 /nfs/dbraw/zinc/32/12/63/329321263.db2.gz URELKFCQNYXSAI-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267479894 329331672 /nfs/dbraw/zinc/33/16/72/329331672.db2.gz UYFCITZMXVVAKW-XJKSGUPXSA-N 1 0 371.441 2.277 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000267743480 329354250 /nfs/dbraw/zinc/35/42/50/329354250.db2.gz ZQSHYAAEDBQFKS-UHFFFAOYSA-N 1 0 355.416 2.337 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178569 329393874 /nfs/dbraw/zinc/39/38/74/329393874.db2.gz KYGINXLRIXOSDC-CJNGLKHVSA-N 1 0 358.442 2.408 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000269177903 329493671 /nfs/dbraw/zinc/49/36/71/329493671.db2.gz YYNNGPCSGHHQBG-UHFFFAOYSA-N 1 0 373.438 2.374 20 5 FEBDRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269180357 329493902 /nfs/dbraw/zinc/49/39/02/329493902.db2.gz HXXCXWWQGWLPSJ-VXGBXAGGSA-N 1 0 350.375 2.238 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)n1 ZINC000270807519 329633606 /nfs/dbraw/zinc/63/36/06/329633606.db2.gz OSDNSSLPSFJJEQ-UHFFFAOYSA-N 1 0 356.386 2.097 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272337027 329771615 /nfs/dbraw/zinc/77/16/15/329771615.db2.gz MNWLPSLDXIUANN-CQSZACIVSA-N 1 0 359.373 2.160 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272507177 329786588 /nfs/dbraw/zinc/78/65/88/329786588.db2.gz MDVBUUYVLKEDOZ-LBPRGKRZSA-N 1 0 350.419 2.333 20 5 FEBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)N1 ZINC000272888808 329821292 /nfs/dbraw/zinc/82/12/92/329821292.db2.gz YXZINKGIQLWRLI-UHFFFAOYSA-N 1 0 370.365 2.029 20 5 FEBDRO COc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000273035315 329831499 /nfs/dbraw/zinc/83/14/99/329831499.db2.gz TVQGFNYORTULMS-MRXNPFEDSA-N 1 0 373.356 2.324 20 5 FEBDRO O=[N+]([O-])c1ccn(Cc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)n1 ZINC000273760117 329889654 /nfs/dbraw/zinc/88/96/54/329889654.db2.gz QSHBAYRPSMSIDF-UHFFFAOYSA-N 1 0 354.370 2.485 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273809737 329893565 /nfs/dbraw/zinc/89/35/65/329893565.db2.gz CRZAZEVFGTUGJZ-CQSZACIVSA-N 1 0 369.437 2.485 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000274422832 329947451 /nfs/dbraw/zinc/94/74/51/329947451.db2.gz QUKFQPZJBBQGCA-SNVBAGLBSA-N 1 0 355.391 2.312 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000275107434 330011073 /nfs/dbraw/zinc/01/10/73/330011073.db2.gz KVMSXSMBJBKPLT-ZBFHGGJFSA-N 1 0 365.455 2.255 20 5 FEBDRO CS[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275116847 330012222 /nfs/dbraw/zinc/01/22/22/330012222.db2.gz MJGUIPSDMXJXAB-GDBMZVCRSA-N 1 0 365.455 2.012 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000275442500 330049071 /nfs/dbraw/zinc/04/90/71/330049071.db2.gz BVCAXQPCGIQNIN-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO COCCCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275603650 330069007 /nfs/dbraw/zinc/06/90/07/330069007.db2.gz LHKYSHQNIBRQQL-UHFFFAOYSA-N 1 0 357.382 2.047 20 5 FEBDRO CCc1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275874727 330098530 /nfs/dbraw/zinc/09/85/30/330098530.db2.gz VXOJHDZZNDUSON-CQSZACIVSA-N 1 0 371.441 2.117 20 5 FEBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000367036407 330209887 /nfs/dbraw/zinc/20/98/87/330209887.db2.gz GURYUPBGNSHHCO-DZGCQCFKSA-N 1 0 371.397 2.135 20 5 FEBDRO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367059168 330212286 /nfs/dbraw/zinc/21/22/86/330212286.db2.gz CCVGQOKRQJLMJV-BLLLJJGKSA-N 1 0 354.401 2.335 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000367137208 330221614 /nfs/dbraw/zinc/22/16/14/330221614.db2.gz BTYYKPKPNKWHCY-UHFFFAOYSA-N 1 0 374.416 2.104 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000369322340 330239167 /nfs/dbraw/zinc/23/91/67/330239167.db2.gz QTCOQADSQDYBMM-NRXGSXMXSA-N 1 0 372.425 2.282 20 5 FEBDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000554051597 674301829 /nfs/dbraw/zinc/30/18/29/674301829.db2.gz ZOZUAMRFQUADNN-CABCVRRESA-N 1 0 355.460 2.287 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000554593906 674325267 /nfs/dbraw/zinc/32/52/67/674325267.db2.gz DRQSZTYXNJDMDK-RDJZCZTQSA-N 1 0 365.455 2.289 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000156000133 545590880 /nfs/dbraw/zinc/59/08/80/545590880.db2.gz RLNDTVULDCYLCF-DYVFJYSZSA-N 1 0 372.425 2.009 20 5 FEBDRO Cc1ccc(NCCCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000156274000 545613776 /nfs/dbraw/zinc/61/37/76/545613776.db2.gz KQHMSGDCYOJILM-CQSZACIVSA-N 1 0 366.487 2.259 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1nncn1C ZINC000156656977 545643200 /nfs/dbraw/zinc/64/32/00/545643200.db2.gz HADXOLZJOPEZDL-HNNXBMFYSA-N 1 0 358.402 2.197 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159076240 545919705 /nfs/dbraw/zinc/91/97/05/545919705.db2.gz CMQLUCPHEDBDNL-SNVBAGLBSA-N 1 0 354.204 2.278 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000159768879 545979487 /nfs/dbraw/zinc/97/94/87/545979487.db2.gz JZNVRROHIJVTQU-UHFFFAOYSA-N 1 0 362.474 2.345 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160315871 546029967 /nfs/dbraw/zinc/02/99/67/546029967.db2.gz RFRUIOQZRZWIIQ-ZWKOTPCHSA-N 1 0 361.442 2.401 20 5 FEBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399902 561189068 /nfs/dbraw/zinc/18/90/68/561189068.db2.gz YCOPKDAZTDJVMX-CABCVRRESA-N 1 0 367.471 2.455 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175948128 546377632 /nfs/dbraw/zinc/37/76/32/546377632.db2.gz DEOVPLLKAXVCFT-UHFFFAOYSA-N 1 0 362.430 2.221 20 5 FEBDRO O=C(NC1CC1)c1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176203462 546419201 /nfs/dbraw/zinc/41/92/01/546419201.db2.gz XLZNFSFQPNCDMA-UHFFFAOYSA-N 1 0 369.425 2.348 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000176724707 546480977 /nfs/dbraw/zinc/48/09/77/546480977.db2.gz RYTUYUMTQLDJTR-CZUORRHYSA-N 1 0 371.441 2.420 20 5 FEBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000176814969 546491688 /nfs/dbraw/zinc/49/16/88/546491688.db2.gz HTDXGDYADCXTKI-UHFFFAOYSA-N 1 0 352.391 2.440 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177032003 546527543 /nfs/dbraw/zinc/52/75/43/546527543.db2.gz OYHZJRNWPGENOF-RISCZKNCSA-N 1 0 361.398 2.127 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161220 546558073 /nfs/dbraw/zinc/55/80/73/546558073.db2.gz WEECYGFNDQZOPH-VXGBXAGGSA-N 1 0 363.414 2.357 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989258 561222297 /nfs/dbraw/zinc/22/22/97/561222297.db2.gz XZQURMSXDXAYND-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000481976323 561246624 /nfs/dbraw/zinc/24/66/24/561246624.db2.gz KBTMWVVFSNLPBW-UHFFFAOYSA-N 1 0 363.462 2.337 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NCC3CCN(c4cc[nH+]cc4)CC3)nn21 ZINC000180045128 547043101 /nfs/dbraw/zinc/04/31/01/547043101.db2.gz JZZHOCXSKFWJBD-UHFFFAOYSA-N 1 0 353.386 2.361 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000180177933 547064628 /nfs/dbraw/zinc/06/46/28/547064628.db2.gz WYIMCYLKOWKCMV-QFBILLFUSA-N 1 0 371.441 2.360 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000482848229 561261272 /nfs/dbraw/zinc/26/12/72/561261272.db2.gz FXHMDVVZGRDLTC-UHFFFAOYSA-N 1 0 363.414 2.377 20 5 FEBDRO O=C(CC[NH+]1CCC(O[C@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000483018974 561265119 /nfs/dbraw/zinc/26/51/19/561265119.db2.gz LTUYKHYYEUMYRI-KRWDZBQOSA-N 1 0 363.414 2.193 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181094579 547248614 /nfs/dbraw/zinc/24/86/14/547248614.db2.gz SXQTXQKHMNTEEW-CYBMUJFWSA-N 1 0 361.402 2.149 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181635168 547349469 /nfs/dbraw/zinc/34/94/69/547349469.db2.gz APYJIUSOHIDRDM-BXUZGUMPSA-N 1 0 370.452 2.142 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182804719 547555392 /nfs/dbraw/zinc/55/53/92/547555392.db2.gz KBLQOMUMJGUJRI-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183181237 547616852 /nfs/dbraw/zinc/61/68/52/547616852.db2.gz UIGBMVROFBJRJT-RDTXWAMCSA-N 1 0 372.425 2.032 20 5 FEBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000183341705 547641399 /nfs/dbraw/zinc/64/13/99/547641399.db2.gz DPWOJJHAJRLUGF-OJSRQPNCSA-N 1 0 361.442 2.351 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184375043 547815797 /nfs/dbraw/zinc/81/57/97/547815797.db2.gz NOAMMINYXZOWEK-INIZCTEOSA-N 1 0 368.437 2.471 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000184708997 547868917 /nfs/dbraw/zinc/86/89/17/547868917.db2.gz ZCPSWYQPILXYNC-INIZCTEOSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000185227732 547954990 /nfs/dbraw/zinc/95/49/90/547954990.db2.gz PDWYXOYUEFJHDI-IUODEOHRSA-N 1 0 371.434 2.147 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186532938 548148343 /nfs/dbraw/zinc/14/83/43/548148343.db2.gz VUELGDJEWUIEHJ-ZDUSSCGKSA-N 1 0 355.398 2.137 20 5 FEBDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000186681786 548173538 /nfs/dbraw/zinc/17/35/38/548173538.db2.gz LKSTUUPZWDXEDG-KRWDZBQOSA-N 1 0 351.403 2.491 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]12 ZINC000186921705 548219267 /nfs/dbraw/zinc/21/92/67/548219267.db2.gz YVSVUROITOPWMG-ARFHVFGLSA-N 1 0 358.442 2.007 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095800 561337982 /nfs/dbraw/zinc/33/79/82/561337982.db2.gz XTJSNQQBTPNNAO-DHSIGJKJSA-N 1 0 368.430 2.465 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1C ZINC000194115539 548437783 /nfs/dbraw/zinc/43/77/83/548437783.db2.gz SQGNZORYWQCFJA-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO CN1CC[NH+](CC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000194495704 548490970 /nfs/dbraw/zinc/49/09/70/548490970.db2.gz GEAGRCOWLKQFCZ-UHFFFAOYSA-N 1 0 361.446 2.086 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000194767620 548529662 /nfs/dbraw/zinc/52/96/62/548529662.db2.gz HVOHTYWVGWUGKU-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000195447181 548640930 /nfs/dbraw/zinc/64/09/30/548640930.db2.gz NCSQERAPGAFFHW-UHFFFAOYSA-N 1 0 351.451 2.464 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000195457948 548643525 /nfs/dbraw/zinc/64/35/25/548643525.db2.gz XRWYMHNUDAEQMU-KBPBESRZSA-N 1 0 366.487 2.287 20 5 FEBDRO Cn1nccc1[C@H]1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC(=O)N1C ZINC000487032853 561361832 /nfs/dbraw/zinc/36/18/32/561361832.db2.gz WBRGQXUSDXWLIR-GDQHDYBHSA-N 1 0 369.425 2.293 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237214757 548809291 /nfs/dbraw/zinc/80/92/91/548809291.db2.gz OCBOCZVSWKFQFY-WFASDCNBSA-N 1 0 367.471 2.422 20 5 FEBDRO C[NH2+]C[C@H]1CCCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000237229496 548810116 /nfs/dbraw/zinc/81/01/16/548810116.db2.gz GQWWHPKADHXXSS-CYBMUJFWSA-N 1 0 353.444 2.047 20 5 FEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237857324 548859133 /nfs/dbraw/zinc/85/91/33/548859133.db2.gz PUTCVQHZZRENLY-VNQPRFMTSA-N 1 0 361.446 2.300 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000245420462 548913027 /nfs/dbraw/zinc/91/30/27/548913027.db2.gz BMEVGFSINJHDEQ-CHWSQXEVSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245840397 549001735 /nfs/dbraw/zinc/00/17/35/549001735.db2.gz CIEGBDOEMZYYAN-ILXRZTDVSA-N 1 0 364.446 2.061 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245964143 549029719 /nfs/dbraw/zinc/02/97/19/549029719.db2.gz VIXNWFLHJGSNEH-HALDLXJZSA-N 1 0 371.441 2.215 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245992273 549032831 /nfs/dbraw/zinc/03/28/31/549032831.db2.gz QWPIXGVQNSCUTR-XJKSGUPXSA-N 1 0 362.430 2.229 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762134 561396317 /nfs/dbraw/zinc/39/63/17/561396317.db2.gz CKXLHXROVAJKHN-MQIPJXDCSA-N 1 0 357.414 2.410 20 5 FEBDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246718346 549194990 /nfs/dbraw/zinc/19/49/90/549194990.db2.gz LMEVEQFVHJRTFR-WCQYABFASA-N 1 0 361.427 2.455 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000246719444 549195561 /nfs/dbraw/zinc/19/55/61/549195561.db2.gz KGVADHMQVPDBQZ-LSDHHAIUSA-N 1 0 374.441 2.175 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246915540 549242224 /nfs/dbraw/zinc/24/22/24/549242224.db2.gz RSSSIKWNZHJXIY-HWWQOWPSSA-N 1 0 351.403 2.023 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246955115 549250086 /nfs/dbraw/zinc/25/00/86/549250086.db2.gz IHHBWEXPUPPJOC-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247020212 549266878 /nfs/dbraw/zinc/26/68/78/549266878.db2.gz ZJXVNPXCRRYJQK-GDZNZVCISA-N 1 0 363.414 2.431 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330628 549320304 /nfs/dbraw/zinc/32/03/04/549320304.db2.gz YNYISEFPSMYXRS-WMLDXEAASA-N 1 0 360.458 2.146 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000247343310 549322386 /nfs/dbraw/zinc/32/23/86/549322386.db2.gz GFFCAUZNHIVTLR-GDBMZVCRSA-N 1 0 362.455 2.266 20 5 FEBDRO CCc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000248292272 549418912 /nfs/dbraw/zinc/41/89/12/549418912.db2.gz WVVFGPBTSMKMKC-TZMCWYRMSA-N 1 0 365.459 2.181 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248459095 549443589 /nfs/dbraw/zinc/44/35/89/549443589.db2.gz NJCQOTUBHMOGIY-SJORKVTESA-N 1 0 363.458 2.285 20 5 FEBDRO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000248574674 549460822 /nfs/dbraw/zinc/46/08/22/549460822.db2.gz MZHITJDYRCWASJ-MGPQQGTHSA-N 1 0 367.421 2.141 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248635441 549473252 /nfs/dbraw/zinc/47/32/52/549473252.db2.gz QFSYELZMZUVCMH-MELADBBJSA-N 1 0 365.455 2.032 20 5 FEBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000248642001 549473824 /nfs/dbraw/zinc/47/38/24/549473824.db2.gz ZPVVXPPDAMAYKU-PVXIVEMSSA-N 1 0 351.403 2.478 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000489497628 561413006 /nfs/dbraw/zinc/41/30/06/561413006.db2.gz NFHQUTCFCMZTPH-DJSGYFEHSA-N 1 0 351.403 2.478 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000249118819 549556319 /nfs/dbraw/zinc/55/63/19/549556319.db2.gz TUEUQJJDINNTGO-HLLBOEOZSA-N 1 0 363.458 2.077 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249128500 549557254 /nfs/dbraw/zinc/55/72/54/549557254.db2.gz CSDYSGUWPSCBDQ-JSGCOSHPSA-N 1 0 362.430 2.091 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249431394 549591828 /nfs/dbraw/zinc/59/18/28/549591828.db2.gz ITIWKHBXDDKQGP-ZIAGYGMSSA-N 1 0 355.460 2.172 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261948663 549772513 /nfs/dbraw/zinc/77/25/13/549772513.db2.gz YRVANMXIWMXNQP-IIDMSEBBSA-N 1 0 360.458 2.236 20 5 FEBDRO CN(CC(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000262390855 549816069 /nfs/dbraw/zinc/81/60/69/549816069.db2.gz OETZTYPNEAMYGT-MRXNPFEDSA-N 1 0 354.410 2.034 20 5 FEBDRO CC[N@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000263665286 549916072 /nfs/dbraw/zinc/91/60/72/549916072.db2.gz BRAUBRRKGALRAY-UHFFFAOYSA-N 1 0 360.458 2.412 20 5 FEBDRO COc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1OCC(=O)N(C)C ZINC000263666373 549916139 /nfs/dbraw/zinc/91/61/39/549916139.db2.gz IPVJHDAENLWFMZ-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000268508092 550078740 /nfs/dbraw/zinc/07/87/40/550078740.db2.gz KTGMGYFDEZOBRT-UHFFFAOYSA-N 1 0 365.459 2.223 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000268844993 550122459 /nfs/dbraw/zinc/12/24/59/550122459.db2.gz NPWJZQDFHDLEFU-YJBOKZPZSA-N 1 0 362.474 2.497 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858123 550124261 /nfs/dbraw/zinc/12/42/61/550124261.db2.gz RIZMMIAWXHBUIF-DOMZBBRYSA-N 1 0 360.366 2.414 20 5 FEBDRO COc1cc(OCC(=O)Nc2ccc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000269182199 550164638 /nfs/dbraw/zinc/16/46/38/550164638.db2.gz DUFTWEDPKGNHLP-UHFFFAOYSA-N 1 0 357.366 2.267 20 5 FEBDRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000269224418 550169432 /nfs/dbraw/zinc/16/94/32/550169432.db2.gz WGWSPDIXENXGRC-RDJZCZTQSA-N 1 0 362.430 2.403 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270166817 550253379 /nfs/dbraw/zinc/25/33/79/550253379.db2.gz BQRSFEHADOKZCH-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NCCCC[NH+]1CCOCC1 ZINC000270352724 550264471 /nfs/dbraw/zinc/26/44/71/550264471.db2.gz ICIMRXRGJIYGPV-UHFFFAOYSA-N 1 0 359.224 2.277 20 5 FEBDRO CC(C)N1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000270512452 550279022 /nfs/dbraw/zinc/27/90/22/550279022.db2.gz XINUUCNOZUXFAV-UHFFFAOYSA-N 1 0 374.445 2.126 20 5 FEBDRO COCCCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000271613537 550389582 /nfs/dbraw/zinc/38/95/82/550389582.db2.gz VRMZGGWXURQRLX-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328722 550438160 /nfs/dbraw/zinc/43/81/60/550438160.db2.gz LAHOKGBJXDGEJT-MFKMUULPSA-N 1 0 361.427 2.156 20 5 FEBDRO Cc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782978 550470702 /nfs/dbraw/zinc/47/07/02/550470702.db2.gz AVBYYQRHWKMXER-GOSISDBHSA-N 1 0 370.409 2.279 20 5 FEBDRO COCC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273225967 550490559 /nfs/dbraw/zinc/49/05/59/550490559.db2.gz DZHOYTAKOKVLPX-HOCLYGCPSA-N 1 0 350.371 2.295 20 5 FEBDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000273378649 550496429 /nfs/dbraw/zinc/49/64/29/550496429.db2.gz ANNYBBCRCALNQY-AWEZNQCLSA-N 1 0 364.446 2.144 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000276906385 550609742 /nfs/dbraw/zinc/60/97/42/550609742.db2.gz FADFNKYPSJAEGK-ZFWWWQNUSA-N 1 0 351.403 2.479 20 5 FEBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000276913817 550610590 /nfs/dbraw/zinc/61/05/90/550610590.db2.gz JQFXHRYYXHAKKF-UHFFFAOYSA-N 1 0 361.489 2.339 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc([N+](=O)[O-])c1C ZINC000276921325 550611391 /nfs/dbraw/zinc/61/13/91/550611391.db2.gz YUALKWSHLXZRNA-HIFRSBDPSA-N 1 0 353.444 2.029 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C)c([N+](=O)[O-])c1 ZINC000277309686 550654530 /nfs/dbraw/zinc/65/45/30/550654530.db2.gz UYKWHUNYZVWZEO-CQSZACIVSA-N 1 0 374.397 2.168 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000277445487 550671610 /nfs/dbraw/zinc/67/16/10/550671610.db2.gz HBKHWRLFMNNOSN-CYBMUJFWSA-N 1 0 360.414 2.307 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278160175 550755533 /nfs/dbraw/zinc/75/55/33/550755533.db2.gz XZGVLWBUXZIENB-UHFFFAOYSA-N 1 0 374.445 2.392 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000278774756 550820287 /nfs/dbraw/zinc/82/02/87/550820287.db2.gz VBHUATYCABUJPD-UHFFFAOYSA-N 1 0 372.429 2.241 20 5 FEBDRO CCn1nccc1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000278934642 550837938 /nfs/dbraw/zinc/83/79/38/550837938.db2.gz TUODAOUXJAJNCK-INIZCTEOSA-N 1 0 374.441 2.431 20 5 FEBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000279130786 550857415 /nfs/dbraw/zinc/85/74/15/550857415.db2.gz RAICHBWNOFIMKR-DLBZAZTESA-N 1 0 369.425 2.446 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279187474 550863102 /nfs/dbraw/zinc/86/31/02/550863102.db2.gz KXJUBSXGAIYNFG-OLZOCXBDSA-N 1 0 364.421 2.499 20 5 FEBDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1N ZINC000279199796 550864258 /nfs/dbraw/zinc/86/42/58/550864258.db2.gz FVEGLTHLQXMSRC-UHFFFAOYSA-N 1 0 373.413 2.387 20 5 FEBDRO CNC(=O)CN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279204817 550864823 /nfs/dbraw/zinc/86/48/23/550864823.db2.gz XOIMTNNZMGUXIM-KRWDZBQOSA-N 1 0 360.458 2.117 20 5 FEBDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1N ZINC000279310110 550876126 /nfs/dbraw/zinc/87/61/26/550876126.db2.gz RENCJPLLJZWBPA-UHFFFAOYSA-N 1 0 373.413 2.387 20 5 FEBDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000279388385 550884730 /nfs/dbraw/zinc/88/47/30/550884730.db2.gz KAIJFBAPNLFVMV-OAHLLOKOSA-N 1 0 373.457 2.148 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCn3ccnc3C)CC2)ccc1[N+](=O)[O-] ZINC000280203407 550970918 /nfs/dbraw/zinc/97/09/18/550970918.db2.gz JEJGAQJFDHHEJR-UHFFFAOYSA-N 1 0 359.430 2.321 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)n1 ZINC000280514579 551002678 /nfs/dbraw/zinc/00/26/78/551002678.db2.gz NSZHIDXWYDJPFY-NSHDSACASA-N 1 0 360.292 2.013 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280566598 551008323 /nfs/dbraw/zinc/00/83/23/551008323.db2.gz RQBIRKIVNGGRHO-KBXCAEBGSA-N 1 0 363.414 2.112 20 5 FEBDRO C[N@@H+]1CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000281586463 551116888 /nfs/dbraw/zinc/11/68/88/551116888.db2.gz GMTCYUIUANYVPT-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c1 ZINC000282546678 551244859 /nfs/dbraw/zinc/24/48/59/551244859.db2.gz RXUKBTACPKTIHE-UHFFFAOYSA-N 1 0 359.405 2.458 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1(OCCO)CCOCC1)CCC2 ZINC000282724390 551263824 /nfs/dbraw/zinc/26/38/24/551263824.db2.gz MESDNQAOQDIYAP-KRWDZBQOSA-N 1 0 350.415 2.120 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000283049323 551303343 /nfs/dbraw/zinc/30/33/43/551303343.db2.gz SBEGVMDPUWLMDX-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO Cc1cc(CN2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)on1 ZINC000283718216 551415296 /nfs/dbraw/zinc/41/52/96/551415296.db2.gz AWKKWJWCVYQNPA-UHFFFAOYSA-N 1 0 352.341 2.487 20 5 FEBDRO NC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000284048371 551474397 /nfs/dbraw/zinc/47/43/97/551474397.db2.gz JKDBXSGNHPEMMS-AWEZNQCLSA-N 1 0 350.375 2.417 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000284100084 551483534 /nfs/dbraw/zinc/48/35/34/551483534.db2.gz SFYOCKVSJMMPHN-JTQLQIEISA-N 1 0 356.220 2.347 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284152751 551493383 /nfs/dbraw/zinc/49/33/83/551493383.db2.gz VYQLIXNWQSZHOJ-GFCCVEGCSA-N 1 0 369.853 2.396 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000284503322 551564423 /nfs/dbraw/zinc/56/44/23/551564423.db2.gz VCKXBAXLIKWSMH-UHFFFAOYSA-N 1 0 350.394 2.453 20 5 FEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000284674776 551605060 /nfs/dbraw/zinc/60/50/60/551605060.db2.gz GNUMXMDWKHYDKM-KRWDZBQOSA-N 1 0 368.437 2.392 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000498555136 561528326 /nfs/dbraw/zinc/52/83/26/561528326.db2.gz OSKFNUBORPVNSX-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922232 561537934 /nfs/dbraw/zinc/53/79/34/561537934.db2.gz BFMNSIFFGZZSSZ-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000285759662 551806686 /nfs/dbraw/zinc/80/66/86/551806686.db2.gz ZJFPMLLLHKZVLM-KBPBESRZSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1n[nH]c(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000285776919 551809132 /nfs/dbraw/zinc/80/91/32/551809132.db2.gz SMZUTABSRDQLGW-UHFFFAOYSA-N 1 0 373.413 2.029 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286102644 551849120 /nfs/dbraw/zinc/84/91/20/551849120.db2.gz NRTOSDLLERMDII-JRKPZEMJSA-N 1 0 356.220 2.474 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)([NH3+])Cc2ccc(OC)cc2)n1 ZINC000286122852 551851061 /nfs/dbraw/zinc/85/10/61/551851061.db2.gz GVCAMCXUBFEAQN-SFHVURJKSA-N 1 0 374.397 2.157 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286878434 551935790 /nfs/dbraw/zinc/93/57/90/551935790.db2.gz ZDQWZEZACGBUGT-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000288530962 552170206 /nfs/dbraw/zinc/17/02/06/552170206.db2.gz UPGGAHBGTYRWCP-GOSISDBHSA-N 1 0 355.398 2.056 20 5 FEBDRO CCC[C@@]1(CO)CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723524 552200760 /nfs/dbraw/zinc/20/07/60/552200760.db2.gz GALNQQRANQOJQV-SCLBCKFNSA-N 1 0 365.430 2.415 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288921082 552236800 /nfs/dbraw/zinc/23/68/00/552236800.db2.gz VTFKVICBOUPXGU-ZDUSSCGKSA-N 1 0 350.419 2.078 20 5 FEBDRO CC[C@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289483184 552328382 /nfs/dbraw/zinc/32/83/82/552328382.db2.gz KFTHTRHMSOAMGR-SNVBAGLBSA-N 1 0 350.156 2.060 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000290112314 552429627 /nfs/dbraw/zinc/42/96/27/552429627.db2.gz KONZRNBLJCPSCA-ZDUSSCGKSA-N 1 0 363.414 2.074 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000500793477 561582631 /nfs/dbraw/zinc/58/26/31/561582631.db2.gz OKWRGGCKLURMHT-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO NC(=O)c1ccnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000290542431 552495686 /nfs/dbraw/zinc/49/56/86/552495686.db2.gz IPFJQOSVHWPXPX-CQSZACIVSA-N 1 0 361.446 2.181 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291777469 552660729 /nfs/dbraw/zinc/66/07/29/552660729.db2.gz MBIXJPBINLQQSI-GFCCVEGCSA-N 1 0 357.357 2.181 20 5 FEBDRO O=C(CN1CCOC[C@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292173207 552701233 /nfs/dbraw/zinc/70/12/33/552701233.db2.gz PUACEMSCWOLUOS-MRXNPFEDSA-N 1 0 359.426 2.232 20 5 FEBDRO C[C@H]1C[C@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000501477706 561598273 /nfs/dbraw/zinc/59/82/73/561598273.db2.gz UDEHGCRXQBJVQF-HOCLYGCPSA-N 1 0 371.441 2.359 20 5 FEBDRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162433 552794717 /nfs/dbraw/zinc/79/47/17/552794717.db2.gz UYEWGBAHZIGBHM-AEFFLSMTSA-N 1 0 352.431 2.065 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000293592615 552838515 /nfs/dbraw/zinc/83/85/15/552838515.db2.gz DFUUUTLVYKXMNH-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293668280 552845382 /nfs/dbraw/zinc/84/53/82/552845382.db2.gz KCGYGENWZOJKHY-LBPRGKRZSA-N 1 0 362.386 2.449 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000293666475 552845485 /nfs/dbraw/zinc/84/54/85/552845485.db2.gz GCNRTVZORTZQAF-QMMMGPOBSA-N 1 0 362.199 2.424 20 5 FEBDRO C[C@H]1[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293973733 552872171 /nfs/dbraw/zinc/87/21/71/552872171.db2.gz QVBFGPMSTRVJEV-DARAHFNDSA-N 1 0 352.456 2.471 20 5 FEBDRO CC(C)(CCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[N+](=O)[O-] ZINC000295082018 552956891 /nfs/dbraw/zinc/95/68/91/552956891.db2.gz VUDXHHLKOXXVHZ-UHFFFAOYSA-N 1 0 363.458 2.095 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295149342 552963712 /nfs/dbraw/zinc/96/37/12/552963712.db2.gz PLGRSQOYIMSTDU-MRXNPFEDSA-N 1 0 365.430 2.031 20 5 FEBDRO CN1CCC([NH+]2CCC(Nc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000295445115 553007880 /nfs/dbraw/zinc/00/78/80/553007880.db2.gz GTFNRAHOWGUNBM-UHFFFAOYSA-N 1 0 358.446 2.442 20 5 FEBDRO CO[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000295890336 553072277 /nfs/dbraw/zinc/07/22/77/553072277.db2.gz GNKJDNXWENAEKK-HNNXBMFYSA-N 1 0 365.386 2.009 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000296733040 553204532 /nfs/dbraw/zinc/20/45/32/553204532.db2.gz MSTAJLKYXPLZKQ-CHWSQXEVSA-N 1 0 368.409 2.351 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000296965109 553236276 /nfs/dbraw/zinc/23/62/76/553236276.db2.gz BIYYZTBEUPDUKX-GOSISDBHSA-N 1 0 362.430 2.231 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccc(F)cc1 ZINC000297239537 553268059 /nfs/dbraw/zinc/26/80/59/553268059.db2.gz PPOJKBJTGRHYOT-HZPDHXFCSA-N 1 0 373.384 2.456 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000297813651 553342307 /nfs/dbraw/zinc/34/23/07/553342307.db2.gz IQVLYSQOLSTHSC-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCCCCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298042220 553375997 /nfs/dbraw/zinc/37/59/97/553375997.db2.gz GVYJMUPUPDJQBT-UHFFFAOYSA-N 1 0 364.446 2.470 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000298163493 553392852 /nfs/dbraw/zinc/39/28/52/553392852.db2.gz SSQWAIDLRZEGHD-UHFFFAOYSA-N 1 0 371.459 2.097 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000298536981 553437122 /nfs/dbraw/zinc/43/71/22/553437122.db2.gz XARXXDSFKVCZMW-JTQLQIEISA-N 1 0 362.411 2.435 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000298762752 553469542 /nfs/dbraw/zinc/46/95/42/553469542.db2.gz LWPIVLCHJBQPAN-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000298989442 553499803 /nfs/dbraw/zinc/49/98/03/553499803.db2.gz PSPMGAIMDPLSIK-UHFFFAOYSA-N 1 0 350.375 2.369 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000503521753 561643617 /nfs/dbraw/zinc/64/36/17/561643617.db2.gz GVFPDLNOLGPRAG-DGCLKSJQSA-N 1 0 359.329 2.292 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000299045129 553507943 /nfs/dbraw/zinc/50/79/43/553507943.db2.gz OMJAHYDWISSPIA-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299185897 553526996 /nfs/dbraw/zinc/52/69/96/553526996.db2.gz CAYRHHFNNDLCDP-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299347933 553551466 /nfs/dbraw/zinc/55/14/66/553551466.db2.gz QRRMDAOZWJWVAP-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299435560 553562775 /nfs/dbraw/zinc/56/27/75/553562775.db2.gz XXJNNPQZEHKKPY-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301238541 553634535 /nfs/dbraw/zinc/63/45/35/553634535.db2.gz NEDAYEUPQOPSHI-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301692757 553672189 /nfs/dbraw/zinc/67/21/89/553672189.db2.gz XMDOHDKOMNVRGA-LBPRGKRZSA-N 1 0 358.236 2.250 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4ccccn4)CC3)nn21 ZINC000301819362 553682351 /nfs/dbraw/zinc/68/23/51/553682351.db2.gz AKNIHPHNOBQNNM-UHFFFAOYSA-N 1 0 353.386 2.109 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3cc(OC)c([N+](=O)[O-])cc3F)CC2)c1 ZINC000301968984 553695173 /nfs/dbraw/zinc/69/51/73/553695173.db2.gz PXRJBORYSINLDC-UHFFFAOYSA-N 1 0 362.361 2.473 20 5 FEBDRO Cc1ccnc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302492217 553718302 /nfs/dbraw/zinc/71/83/02/553718302.db2.gz ZNAPZYKAVLSYSP-LJQANCHMSA-N 1 0 356.426 2.371 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303073570 553744165 /nfs/dbraw/zinc/74/41/65/553744165.db2.gz QGFIWLSNXLKCPF-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000318294390 553763124 /nfs/dbraw/zinc/76/31/24/553763124.db2.gz MRWCRSMVDKCYTM-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000324980811 553774336 /nfs/dbraw/zinc/77/43/36/553774336.db2.gz RFDXWQSVQGNYIX-KBPBESRZSA-N 1 0 353.444 2.198 20 5 FEBDRO CN(CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506449739 561699234 /nfs/dbraw/zinc/69/92/34/561699234.db2.gz ALWHFXGHIJNHPF-UHFFFAOYSA-N 1 0 365.393 2.365 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000331378953 554254226 /nfs/dbraw/zinc/25/42/26/554254226.db2.gz AEIXCAFYPHMATI-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331493602 554274467 /nfs/dbraw/zinc/27/44/67/554274467.db2.gz KSBDVNSHAJYEJW-NSHDSACASA-N 1 0 354.204 2.324 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000331922147 554346749 /nfs/dbraw/zinc/34/67/49/554346749.db2.gz JSHWHWUUGDHTOD-IRXDYDNUSA-N 1 0 363.483 2.484 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000332079938 554375607 /nfs/dbraw/zinc/37/56/07/554375607.db2.gz IYFIMZXHJKFFAT-ZBFHGGJFSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000332096414 554379411 /nfs/dbraw/zinc/37/94/11/554379411.db2.gz XKHGHQBUMHMJEH-CJNGLKHVSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C ZINC000332099730 554380512 /nfs/dbraw/zinc/38/05/12/554380512.db2.gz YDKJFQYBODWYRA-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000509808989 561814760 /nfs/dbraw/zinc/81/47/60/561814760.db2.gz PMIQZOITROBLHK-UHFFFAOYSA-N 1 0 362.430 2.258 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000509931105 561818965 /nfs/dbraw/zinc/81/89/65/561818965.db2.gz PZJRVMWMNQADRL-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000510505711 561837008 /nfs/dbraw/zinc/83/70/08/561837008.db2.gz JAHONZFESPYUGV-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)CN(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000511071798 561855738 /nfs/dbraw/zinc/85/57/38/561855738.db2.gz HZOFQOSTHZYYHB-UHFFFAOYSA-N 1 0 362.474 2.058 20 5 FEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000511072644 561855821 /nfs/dbraw/zinc/85/58/21/561855821.db2.gz GNOHTCFSEZICLZ-HNNXBMFYSA-N 1 0 374.393 2.238 20 5 FEBDRO Cc1cc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)cc([N+](=O)[O-])c1 ZINC000350917608 554822446 /nfs/dbraw/zinc/82/24/46/554822446.db2.gz VHWZTXCJEFYTLP-UHFFFAOYSA-N 1 0 373.413 2.048 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000511312612 561864908 /nfs/dbraw/zinc/86/49/08/561864908.db2.gz DOXRKRZMGPMPQB-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023438 554860264 /nfs/dbraw/zinc/86/02/64/554860264.db2.gz RORQPOSBLPDZBF-BZNIZROVSA-N 1 0 366.805 2.058 20 5 FEBDRO O=[N+]([O-])c1ccccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000511401603 561868126 /nfs/dbraw/zinc/86/81/26/561868126.db2.gz WOTMFZHJJBIGBE-UHFFFAOYSA-N 1 0 356.430 2.399 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000361953541 554940401 /nfs/dbraw/zinc/94/04/01/554940401.db2.gz AGRVETMKDHXORM-CQSZACIVSA-N 1 0 363.414 2.290 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076558 554947670 /nfs/dbraw/zinc/94/76/70/554947670.db2.gz HDQFUXSBBQVXOB-UONOGXRCSA-N 1 0 355.398 2.137 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000362290707 554960866 /nfs/dbraw/zinc/96/08/66/554960866.db2.gz SPPZGBCBIAITNE-UHFFFAOYSA-N 1 0 353.444 2.231 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388289 554968298 /nfs/dbraw/zinc/96/82/98/554968298.db2.gz CXAQLACZSHKJMA-LSDHHAIUSA-N 1 0 361.398 2.128 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cc2N1 ZINC000362926335 555000049 /nfs/dbraw/zinc/00/00/49/555000049.db2.gz QAYCKFUYZSPKDN-OFQRWUPVSA-N 1 0 356.426 2.400 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000363015002 555010736 /nfs/dbraw/zinc/01/07/36/555010736.db2.gz SMINNVYYPSHZAK-CYBMUJFWSA-N 1 0 371.397 2.212 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363259327 555066348 /nfs/dbraw/zinc/06/63/48/555066348.db2.gz NCHXNLKKUPHLNY-OFQRWUPVSA-N 1 0 365.455 2.008 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3nnc4n3CCC4)CC2)cc1 ZINC000363657040 555156596 /nfs/dbraw/zinc/15/65/96/555156596.db2.gz TTZOLMSZIHEGQB-UHFFFAOYSA-N 1 0 357.414 2.391 20 5 FEBDRO Cc1ccnc(C2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000363791443 555187218 /nfs/dbraw/zinc/18/72/18/555187218.db2.gz CVVZRWCVROBBJP-INIZCTEOSA-N 1 0 372.425 2.313 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1=CC[N@H+](C)CC1 ZINC000512122109 561893143 /nfs/dbraw/zinc/89/31/43/561893143.db2.gz HIHLRKAVPUQLNU-GFCCVEGCSA-N 1 0 365.455 2.059 20 5 FEBDRO C[C@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929035 555216280 /nfs/dbraw/zinc/21/62/80/555216280.db2.gz UQUUNPNGGRAEJF-LBTNJELSSA-N 1 0 363.414 2.192 20 5 FEBDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363937510 555218118 /nfs/dbraw/zinc/21/81/18/555218118.db2.gz KQUHWFJRUWPBSB-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994529 555229686 /nfs/dbraw/zinc/22/96/86/555229686.db2.gz BMGXNGKLLAPLCB-IUODEOHRSA-N 1 0 359.386 2.371 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044404 555239491 /nfs/dbraw/zinc/23/94/91/555239491.db2.gz XAEGXDBAICIQLC-OLZOCXBDSA-N 1 0 362.386 2.476 20 5 FEBDRO COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000364062236 555243002 /nfs/dbraw/zinc/24/30/02/555243002.db2.gz GGSGJYUBKFCUNJ-DDUZABMNSA-N 1 0 367.421 2.426 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000364397223 555306055 /nfs/dbraw/zinc/30/60/55/555306055.db2.gz ZIKKDGYRHOFYAI-HNNXBMFYSA-N 1 0 364.450 2.011 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(N)c([N+](=O)[O-])c1 ZINC000364569594 555341350 /nfs/dbraw/zinc/34/13/50/555341350.db2.gz NMJGORFSFMWFBB-KSSFIOAISA-N 1 0 369.425 2.303 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364956019 555449329 /nfs/dbraw/zinc/44/93/29/555449329.db2.gz RHZGOLNCTGTHSV-NSHDSACASA-N 1 0 356.810 2.169 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1cccs1 ZINC000364965462 555452637 /nfs/dbraw/zinc/45/26/37/555452637.db2.gz UBDFUXHIWAKBKA-QMTHXVAHSA-N 1 0 361.427 2.056 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000365033613 555469430 /nfs/dbraw/zinc/46/94/30/555469430.db2.gz AKERHTWTZZGYLC-HNNXBMFYSA-N 1 0 368.455 2.117 20 5 FEBDRO COC(=O)c1cnc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000365166047 555500191 /nfs/dbraw/zinc/50/01/91/555500191.db2.gz WIYHKXSIOLBBCQ-BBRMVZONSA-N 1 0 371.397 2.276 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187251 555505615 /nfs/dbraw/zinc/50/56/15/555505615.db2.gz RGOINJBKBULRAH-NEPJUHHUSA-N 1 0 354.794 2.233 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000365483734 555587699 /nfs/dbraw/zinc/58/76/99/555587699.db2.gz NLILZBVUPUZCQK-AWEZNQCLSA-N 1 0 356.382 2.452 20 5 FEBDRO O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549086 555605717 /nfs/dbraw/zinc/60/57/17/555605717.db2.gz GHCLXTNGTQBECJ-KLIQENQMSA-N 1 0 370.453 2.116 20 5 FEBDRO COc1ccc(C)cc1NC(=O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365857330 555684603 /nfs/dbraw/zinc/68/46/03/555684603.db2.gz LNWBRNZAUIPLDL-UHFFFAOYSA-N 1 0 373.413 2.384 20 5 FEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000513543111 561942317 /nfs/dbraw/zinc/94/23/17/561942317.db2.gz OUGGXYORAUBPTM-WFASDCNBSA-N 1 0 374.397 2.372 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117958 555757385 /nfs/dbraw/zinc/75/73/85/555757385.db2.gz GONYPCIZANEKEC-CZUORRHYSA-N 1 0 355.398 2.025 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000366828208 555945188 /nfs/dbraw/zinc/94/51/88/555945188.db2.gz XXCLYDAXZHHGQK-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cn1ccnc1[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348273 556024162 /nfs/dbraw/zinc/02/41/62/556024162.db2.gz GYKKXLSIEZWHDV-SOLBZPMBSA-N 1 0 369.425 2.161 20 5 FEBDRO Cn1ccnc1[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348272 556024320 /nfs/dbraw/zinc/02/43/20/556024320.db2.gz GYKKXLSIEZWHDV-LZLYRXPVSA-N 1 0 369.425 2.161 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000367454127 556054412 /nfs/dbraw/zinc/05/44/12/556054412.db2.gz LXRQPQKLNFPLBX-KXPUMZMLSA-N 1 0 372.469 2.235 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000367793925 556141218 /nfs/dbraw/zinc/14/12/18/556141218.db2.gz PZRQLVFYQYEQFD-HOTGVXAUSA-N 1 0 358.442 2.022 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+]([C@@H]3CCSC3)CC2)s1 ZINC000367824386 556147901 /nfs/dbraw/zinc/14/79/01/556147901.db2.gz HCBSGDNOWNQYMJ-SNVBAGLBSA-N 1 0 351.457 2.227 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367934082 556176272 /nfs/dbraw/zinc/17/62/72/556176272.db2.gz FPGRCOULURNLFW-AWEZNQCLSA-N 1 0 360.458 2.402 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515024300 561992321 /nfs/dbraw/zinc/99/23/21/561992321.db2.gz HXTYWPOYXCIYFI-UHFFFAOYSA-N 1 0 359.430 2.354 20 5 FEBDRO COc1ccc(CC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000515051481 561993967 /nfs/dbraw/zinc/99/39/67/561993967.db2.gz XHLRYWRKDDLXFM-CQSZACIVSA-N 1 0 361.442 2.479 20 5 FEBDRO CCCC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368772594 556409606 /nfs/dbraw/zinc/40/96/06/556409606.db2.gz MZSIARGHZGCFHZ-UHFFFAOYSA-N 1 0 362.430 2.258 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C[C@H](C)O1 ZINC000515816623 562022721 /nfs/dbraw/zinc/02/27/21/562022721.db2.gz FLBLQLRNKOHPGR-OKILXGFUSA-N 1 0 372.425 2.462 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1C ZINC000369533368 556622999 /nfs/dbraw/zinc/62/29/99/556622999.db2.gz SJBBTVFRBSFOQN-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cccc(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000369782272 556693128 /nfs/dbraw/zinc/69/31/28/556693128.db2.gz MFSHJRRKKVVZGM-QGZVFWFLSA-N 1 0 374.441 2.312 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@@H+]2C)cn1 ZINC000369818890 556703648 /nfs/dbraw/zinc/70/36/48/556703648.db2.gz KBVKDVCICGGTGU-NHYWBVRUSA-N 1 0 363.443 2.203 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000370048443 556766856 /nfs/dbraw/zinc/76/68/56/556766856.db2.gz AUUAITFKDNWGLO-GFCCVEGCSA-N 1 0 359.473 2.009 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)c2ccccc2O1 ZINC000370278177 556828162 /nfs/dbraw/zinc/82/81/62/556828162.db2.gz CMWNMSUQKPKYKE-LLVKDONJSA-N 1 0 374.372 2.286 20 5 FEBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000516761151 562056850 /nfs/dbraw/zinc/05/68/50/562056850.db2.gz ZAZNJEKGACEZPV-MRXNPFEDSA-N 1 0 371.393 2.399 20 5 FEBDRO Cc1ccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000370426150 556869503 /nfs/dbraw/zinc/86/95/03/556869503.db2.gz WBRXUJVSKAFNSU-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502184 556892841 /nfs/dbraw/zinc/89/28/41/556892841.db2.gz AQWTWARFDFWZAO-INIZCTEOSA-N 1 0 371.393 2.329 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](CCc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000370744652 556955932 /nfs/dbraw/zinc/95/59/32/556955932.db2.gz IAALXMVFXUDTBP-IYBDPMFKSA-N 1 0 371.441 2.147 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000370914499 557013853 /nfs/dbraw/zinc/01/38/53/557013853.db2.gz YIUVGBQFSYGXPR-VQIMIIECSA-N 1 0 371.441 2.224 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370920076 557015759 /nfs/dbraw/zinc/01/57/59/557015759.db2.gz YVQFZRYJHALZKM-NHYWBVRUSA-N 1 0 363.443 2.203 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370926494 557019061 /nfs/dbraw/zinc/01/90/61/557019061.db2.gz BKJOOSWYBJOUCE-PBHICJAKSA-N 1 0 357.414 2.141 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc2N1 ZINC000371131056 557083723 /nfs/dbraw/zinc/08/37/23/557083723.db2.gz WMQCXRSCNLNKFI-AWEZNQCLSA-N 1 0 360.414 2.145 20 5 FEBDRO Cc1nc(N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216599 562079888 /nfs/dbraw/zinc/07/98/88/562079888.db2.gz KIYFMFBZDOBIID-YOEHRIQHSA-N 1 0 357.414 2.395 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000517231181 562081298 /nfs/dbraw/zinc/08/12/98/562081298.db2.gz VAXLOTHOADGUDJ-WDYCEAGBSA-N 1 0 373.409 2.239 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000517393091 562088619 /nfs/dbraw/zinc/08/86/19/562088619.db2.gz HUJQZFOBHWWGFY-GFCCVEGCSA-N 1 0 371.235 2.109 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000517569629 562092678 /nfs/dbraw/zinc/09/26/78/562092678.db2.gz MGOUIPXISIVUGV-DZGCQCFKSA-N 1 0 364.446 2.044 20 5 FEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612521 562093744 /nfs/dbraw/zinc/09/37/44/562093744.db2.gz KZZHVUYCRUMSAZ-TZMCWYRMSA-N 1 0 363.418 2.328 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372313762 557437264 /nfs/dbraw/zinc/43/72/64/557437264.db2.gz RVAIOAKWVQVNDY-WMLDXEAASA-N 1 0 361.446 2.085 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519147150 562125742 /nfs/dbraw/zinc/12/57/42/562125742.db2.gz CPEOXRGGUJSDHV-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372444166 557472176 /nfs/dbraw/zinc/47/21/76/557472176.db2.gz BZXRHOZWPSSGOF-LPHOPBHVSA-N 1 0 354.410 2.342 20 5 FEBDRO O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000372563727 557506030 /nfs/dbraw/zinc/50/60/30/557506030.db2.gz NQNCOYUWNLWTBD-UHFFFAOYSA-N 1 0 360.414 2.329 20 5 FEBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000519563367 562135013 /nfs/dbraw/zinc/13/50/13/562135013.db2.gz XKUKIPLBCKHFBK-KRWDZBQOSA-N 1 0 359.401 2.460 20 5 FEBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(F)c1F ZINC000372674543 557534655 /nfs/dbraw/zinc/53/46/55/557534655.db2.gz MCFHHWZLHZVLNT-ABAIWWIYSA-N 1 0 369.368 2.104 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725228 557547907 /nfs/dbraw/zinc/54/79/07/557547907.db2.gz HCZGYPZUYVNUGG-WMZOPIPTSA-N 1 0 357.410 2.457 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000372867216 557578886 /nfs/dbraw/zinc/57/88/86/557578886.db2.gz UGYFHELOLBOBAB-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000373106719 557629800 /nfs/dbraw/zinc/62/98/00/557629800.db2.gz LZSXVUNOHURADN-HNNXBMFYSA-N 1 0 356.382 2.042 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000373173187 557643524 /nfs/dbraw/zinc/64/35/24/557643524.db2.gz MUOIPEHCYWEELK-JGPRNRPPSA-N 1 0 359.835 2.199 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000373182467 557645950 /nfs/dbraw/zinc/64/59/50/557645950.db2.gz JEEQXACBINHRAW-INIZCTEOSA-N 1 0 357.366 2.419 20 5 FEBDRO CCc1ccc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000373225033 557653418 /nfs/dbraw/zinc/65/34/18/557653418.db2.gz BNNAAJTZOFOKQX-UHFFFAOYSA-N 1 0 357.414 2.873 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281154 557664453 /nfs/dbraw/zinc/66/44/53/557664453.db2.gz ONQFPZHENBSXOJ-BZNIZROVSA-N 1 0 366.805 2.058 20 5 FEBDRO O=C(CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000373566038 557719303 /nfs/dbraw/zinc/71/93/03/557719303.db2.gz GUMYQXYZKZNDET-OAHLLOKOSA-N 1 0 355.398 2.018 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1OC ZINC000373609516 557728680 /nfs/dbraw/zinc/72/86/80/557728680.db2.gz HMZKNPDYQZDWDW-WMZOPIPTSA-N 1 0 363.414 2.346 20 5 FEBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000373847463 557772297 /nfs/dbraw/zinc/77/22/97/557772297.db2.gz FHYVYYHDSYGDLY-OCCSQVGLSA-N 1 0 362.386 2.384 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933681 557790283 /nfs/dbraw/zinc/79/02/83/557790283.db2.gz NFDXSMHTPWSFHT-QAPCUYQASA-N 1 0 373.457 2.053 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021715 557809334 /nfs/dbraw/zinc/80/93/34/557809334.db2.gz IMUGYAZPPXSNGL-CZUORRHYSA-N 1 0 355.398 2.137 20 5 FEBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000520972475 562166725 /nfs/dbraw/zinc/16/67/25/562166725.db2.gz WBMNLXQEQCKGID-ZIAGYGMSSA-N 1 0 372.429 2.168 20 5 FEBDRO COc1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255141 557851743 /nfs/dbraw/zinc/85/17/43/557851743.db2.gz IOHZQPBPRKVNGC-CYBMUJFWSA-N 1 0 366.437 2.347 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374299716 557861455 /nfs/dbraw/zinc/86/14/55/557861455.db2.gz ZVCDGQCFOXBURP-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585474 557902518 /nfs/dbraw/zinc/90/25/18/557902518.db2.gz NIVSWUABFHNYPH-DLBZAZTESA-N 1 0 369.425 2.238 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ncc[nH]1 ZINC000374854530 557941318 /nfs/dbraw/zinc/94/13/18/557941318.db2.gz GBXHTLJWVASMDP-CQSZACIVSA-N 1 0 359.386 2.492 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000375210614 557992597 /nfs/dbraw/zinc/99/25/97/557992597.db2.gz ZUQKOOCDDKAXSK-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377541 558017824 /nfs/dbraw/zinc/01/78/24/558017824.db2.gz GGDOAQOMOLZQSR-GJZGRUSLSA-N 1 0 364.450 2.012 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000521428481 562176153 /nfs/dbraw/zinc/17/61/53/562176153.db2.gz YUFYXQJYAIDCPG-MAUKXSAKSA-N 1 0 352.394 2.336 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000375635381 558060237 /nfs/dbraw/zinc/06/02/37/558060237.db2.gz CHJASMKOZHZPPY-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1[N+](=O)[O-] ZINC000375986330 558109811 /nfs/dbraw/zinc/10/98/11/558109811.db2.gz HVDBEQIESKPKQV-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@H](NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C[NH+](C)C ZINC000376311213 558156283 /nfs/dbraw/zinc/15/62/83/558156283.db2.gz MJORKZZUKYYZPX-UONOGXRCSA-N 1 0 366.466 2.114 20 5 FEBDRO CC1CC[NH+](CC2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000376866117 558231687 /nfs/dbraw/zinc/23/16/87/558231687.db2.gz FMLVTNWVMRRILQ-UHFFFAOYSA-N 1 0 361.446 2.388 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000377168194 558280833 /nfs/dbraw/zinc/28/08/33/558280833.db2.gz JTJCGVYESSRDBF-XYPHTWIQSA-N 1 0 374.441 2.350 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000377168179 558280954 /nfs/dbraw/zinc/28/09/54/558280954.db2.gz JPKCRNMXXGKTRW-XKQJLSEDSA-N 1 0 374.441 2.350 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000522594797 562200148 /nfs/dbraw/zinc/20/01/48/562200148.db2.gz BJEUCFQGCWQOGN-AWEZNQCLSA-N 1 0 363.418 2.319 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000522815286 562204222 /nfs/dbraw/zinc/20/42/22/562204222.db2.gz KHLSGYSCKDURJT-UHFFFAOYSA-N 1 0 371.441 2.107 20 5 FEBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000522852138 562204824 /nfs/dbraw/zinc/20/48/24/562204824.db2.gz HQQJJNXLUYFYRB-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000377995042 558459387 /nfs/dbraw/zinc/45/93/87/558459387.db2.gz UJSYLEKNJSDCQB-YOEHRIQHSA-N 1 0 355.398 2.194 20 5 FEBDRO Cc1nc(NCCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000378139607 558489617 /nfs/dbraw/zinc/48/96/17/558489617.db2.gz QVAYLNXYKDVUEX-UHFFFAOYSA-N 1 0 361.490 2.906 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1C ZINC000397273367 558624430 /nfs/dbraw/zinc/62/44/30/558624430.db2.gz OUSGDBFZRIYHAU-DYEKYZERSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1C ZINC000405319459 558632372 /nfs/dbraw/zinc/63/23/72/558632372.db2.gz TUFSLJXNINXMMI-XHDPSFHLSA-N 1 0 355.460 2.350 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000408013823 558638251 /nfs/dbraw/zinc/63/82/51/558638251.db2.gz YDJPFNQYOCYOQM-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316033 558666177 /nfs/dbraw/zinc/66/61/77/558666177.db2.gz NFEZEXZYUHASJN-STQMWFEESA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000524516150 562229846 /nfs/dbraw/zinc/22/98/46/562229846.db2.gz RXGQCCQYQRCCIY-CQSZACIVSA-N 1 0 364.446 2.408 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000525147702 562241147 /nfs/dbraw/zinc/24/11/47/562241147.db2.gz MAIYXGSDUNGFBN-UHFFFAOYSA-N 1 0 372.381 2.016 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000411393270 558886885 /nfs/dbraw/zinc/88/68/85/558886885.db2.gz SBQJEELAKNMIMP-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000411659163 558937902 /nfs/dbraw/zinc/93/79/02/558937902.db2.gz YDQXWQVSHCUYLC-XJKSGUPXSA-N 1 0 351.403 2.049 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411929987 558990196 /nfs/dbraw/zinc/99/01/96/558990196.db2.gz YKZAEGZXWSSFSW-NUJGCVRESA-N 1 0 358.394 2.142 20 5 FEBDRO CO[C@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945215 558993157 /nfs/dbraw/zinc/99/31/57/558993157.db2.gz KJZYBNOBLGFRDK-BMLIUANNSA-N 1 0 365.386 2.055 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411974384 558997973 /nfs/dbraw/zinc/99/79/73/558997973.db2.gz UARUKEFOFDHJEA-IBGZPJMESA-N 1 0 355.394 2.232 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412086145 559011388 /nfs/dbraw/zinc/01/13/88/559011388.db2.gz BDLIDPVMFZOVAX-LBPRGKRZSA-N 1 0 353.394 2.276 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1F ZINC000412306563 559026524 /nfs/dbraw/zinc/02/65/24/559026524.db2.gz REDQHLJHMYCVBW-GFCCVEGCSA-N 1 0 353.394 2.228 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000413178105 559085658 /nfs/dbraw/zinc/08/56/58/559085658.db2.gz HPIPXRGWSFGYOQ-UHFFFAOYSA-N 1 0 360.336 2.310 20 5 FEBDRO C[NH+]1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)(N2CCOCC2)CC1 ZINC000413481989 559111119 /nfs/dbraw/zinc/11/11/19/559111119.db2.gz OEGZZOSWIQAGBD-UHFFFAOYSA-N 1 0 370.400 2.082 20 5 FEBDRO CS(=O)(=O)CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000414329652 559156803 /nfs/dbraw/zinc/15/68/03/559156803.db2.gz PBXONEYOALRVAI-ZIAGYGMSSA-N 1 0 370.475 2.080 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000414940933 559196217 /nfs/dbraw/zinc/19/62/17/559196217.db2.gz BYULDWAQZOBTON-ONGXEEELSA-N 1 0 356.329 2.412 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000414945414 559196344 /nfs/dbraw/zinc/19/63/44/559196344.db2.gz IGULZXZQYQULLF-UWVGGRQHSA-N 1 0 356.329 2.269 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415311446 559223064 /nfs/dbraw/zinc/22/30/64/559223064.db2.gz DRQWZTSEMUNIDF-UHFFFAOYSA-N 1 0 362.430 2.318 20 5 FEBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415496293 559243357 /nfs/dbraw/zinc/24/33/57/559243357.db2.gz KKFYXFLAIKBOLS-ZDUSSCGKSA-N 1 0 364.446 2.465 20 5 FEBDRO CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415504556 559244579 /nfs/dbraw/zinc/24/45/79/559244579.db2.gz YWOUFTFCQHXCEN-UHFFFAOYSA-N 1 0 364.446 2.465 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCCC2=CC[NH2+]CC2)c(C)c([N+](=O)[O-])c1 ZINC000415597850 559254092 /nfs/dbraw/zinc/25/40/92/559254092.db2.gz KATRWSHDNZOXIF-UHFFFAOYSA-N 1 0 362.386 2.121 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415645084 559257814 /nfs/dbraw/zinc/25/78/14/559257814.db2.gz WQKBPPBGSFUVOW-UHFFFAOYSA-N 1 0 374.441 2.088 20 5 FEBDRO C[NH2+][C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415656048 559258651 /nfs/dbraw/zinc/25/86/51/559258651.db2.gz LAVVGQNIXIKXIW-JTQLQIEISA-N 1 0 357.208 2.491 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415707414 559264163 /nfs/dbraw/zinc/26/41/63/559264163.db2.gz VZWQOGWYMOBOSP-PELKAZGASA-N 1 0 357.208 2.477 20 5 FEBDRO Cc1c(Br)cc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416308954 559304660 /nfs/dbraw/zinc/30/46/60/559304660.db2.gz SQBNCCHQRMNVHX-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000416482419 559316480 /nfs/dbraw/zinc/31/64/80/559316480.db2.gz FZIKKEQSAHBGQY-SECBINFHSA-N 1 0 369.365 2.090 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000416547628 559321045 /nfs/dbraw/zinc/32/10/45/559321045.db2.gz AAVHLXWRBMFFPE-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307770 559356762 /nfs/dbraw/zinc/35/67/62/559356762.db2.gz HGNSSBISLWQVJY-ROUUACIJSA-N 1 0 360.458 2.292 20 5 FEBDRO COC(=O)c1cn(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000417334402 559358128 /nfs/dbraw/zinc/35/81/28/559358128.db2.gz RIMBQAMXRDPCQV-HNNXBMFYSA-N 1 0 359.386 2.030 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716048 559373769 /nfs/dbraw/zinc/37/37/69/559373769.db2.gz LBFZDUFCQNQVSE-LSDHHAIUSA-N 1 0 363.462 2.332 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417719579 559373889 /nfs/dbraw/zinc/37/38/89/559373889.db2.gz QLVRSSXUIUMKRG-CABCVRRESA-N 1 0 363.462 2.393 20 5 FEBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000418002624 559386000 /nfs/dbraw/zinc/38/60/00/559386000.db2.gz YYGFLSVYAPGWEF-YPMHNXCESA-N 1 0 354.838 2.478 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087225 559389715 /nfs/dbraw/zinc/38/97/15/559389715.db2.gz GKGLAJVKUXXPDS-KOLCDFICSA-N 1 0 360.336 2.492 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418603266 559407544 /nfs/dbraw/zinc/40/75/44/559407544.db2.gz WLUJVNGVOWTPJN-SUMWQHHRSA-N 1 0 362.430 2.146 20 5 FEBDRO COCC1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000418650228 559409477 /nfs/dbraw/zinc/40/94/77/559409477.db2.gz VSJHCADAQPIKAG-UHFFFAOYSA-N 1 0 364.446 2.145 20 5 FEBDRO Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001124 559425161 /nfs/dbraw/zinc/42/51/61/559425161.db2.gz LHNHHSKGJLVVFA-LSDHHAIUSA-N 1 0 371.441 2.252 20 5 FEBDRO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001120 559425181 /nfs/dbraw/zinc/42/51/81/559425181.db2.gz LHNHHSKGJLVVFA-HUUCEWRRSA-N 1 0 371.441 2.252 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000419991724 559468104 /nfs/dbraw/zinc/46/81/04/559468104.db2.gz HCVQVULTFJFLKX-CQSZACIVSA-N 1 0 363.336 2.046 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000419998362 559468264 /nfs/dbraw/zinc/46/82/64/559468264.db2.gz MXTBEMYNVQUSDD-OAQYLSRUSA-N 1 0 367.449 2.114 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420281520 559478648 /nfs/dbraw/zinc/47/86/48/559478648.db2.gz MBUNZMJBZJPHTM-HZPDHXFCSA-N 1 0 373.413 2.368 20 5 FEBDRO COc1ccc([C@@H](C[NH3+])CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000420322811 559480338 /nfs/dbraw/zinc/48/03/38/559480338.db2.gz SMHIULDAGVXSML-KRWDZBQOSA-N 1 0 370.453 2.468 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368481 559483591 /nfs/dbraw/zinc/48/35/91/559483591.db2.gz ATFXIJDVZHKZFZ-CQSZACIVSA-N 1 0 350.810 2.136 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420457816 559488440 /nfs/dbraw/zinc/48/84/40/559488440.db2.gz IGCHOXVRVPGCKK-ZBFHGGJFSA-N 1 0 367.471 2.310 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCSCC2)CCCC1 ZINC000420584527 559492990 /nfs/dbraw/zinc/49/29/90/559492990.db2.gz KUNAKVASFXYJBO-UHFFFAOYSA-N 1 0 364.471 2.467 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420761915 559502983 /nfs/dbraw/zinc/50/29/83/559502983.db2.gz HPBOPBCYXRGCDD-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011796 559519479 /nfs/dbraw/zinc/51/94/79/559519479.db2.gz HMKJGZIIIRTVTD-UONOGXRCSA-N 1 0 365.430 2.415 20 5 FEBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355332 559540039 /nfs/dbraw/zinc/54/00/39/559540039.db2.gz UGSOWHDRXDHLCD-UONOGXRCSA-N 1 0 362.430 2.160 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)o1 ZINC000421393545 559540912 /nfs/dbraw/zinc/54/09/12/559540912.db2.gz FDAKXVIXZAGKBF-GFCCVEGCSA-N 1 0 354.370 2.336 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1SC ZINC000421705252 559550174 /nfs/dbraw/zinc/55/01/74/559550174.db2.gz QVKYXJPERYZAQL-LLVKDONJSA-N 1 0 353.444 2.492 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000422207502 559571619 /nfs/dbraw/zinc/57/16/19/559571619.db2.gz PUTWPDLIVPPGJQ-UHFFFAOYSA-N 1 0 360.418 2.143 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422640047 559599477 /nfs/dbraw/zinc/59/94/77/559599477.db2.gz UQZWQJBHOBFXRE-WOPDTQHZSA-N 1 0 354.838 2.492 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000422836708 559607958 /nfs/dbraw/zinc/60/79/58/559607958.db2.gz RUDWUJANFVQIKY-MRXNPFEDSA-N 1 0 363.414 2.409 20 5 FEBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411997 559628227 /nfs/dbraw/zinc/62/82/27/559628227.db2.gz GRVNQUBJTOIZAT-ZBFHGGJFSA-N 1 0 361.446 2.300 20 5 FEBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423449585 559629440 /nfs/dbraw/zinc/62/94/40/559629440.db2.gz GJVHSVYFYWMELP-LMMKCTJWSA-N 1 0 360.458 2.282 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc1 ZINC000423554989 559631926 /nfs/dbraw/zinc/63/19/26/559631926.db2.gz XOOAXISBWCGHNL-UHFFFAOYSA-N 1 0 356.382 2.142 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423951579 559647757 /nfs/dbraw/zinc/64/77/57/559647757.db2.gz ZCAJEQSURBYIAY-AWEZNQCLSA-N 1 0 367.471 2.470 20 5 FEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000423999229 559650013 /nfs/dbraw/zinc/65/00/13/559650013.db2.gz AZTWIAMGMCJMEB-ZYHUDNBSSA-N 1 0 370.247 2.343 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424006580 559650525 /nfs/dbraw/zinc/65/05/25/559650525.db2.gz UPCSGBCSGWKBCA-JKSUJKDBSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1cc(OCC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000424009529 559650908 /nfs/dbraw/zinc/65/09/08/559650908.db2.gz XBNGBDYQUGMSPM-KRWDZBQOSA-N 1 0 371.393 2.155 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424012582 559651007 /nfs/dbraw/zinc/65/10/07/559651007.db2.gz JTZWAQDZTLZRAD-OCCSQVGLSA-N 1 0 357.414 2.052 20 5 FEBDRO CN(CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000424035486 559652074 /nfs/dbraw/zinc/65/20/74/559652074.db2.gz CSCINJCFKVJRJT-SFHVURJKSA-N 1 0 360.458 2.268 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000424043938 559652413 /nfs/dbraw/zinc/65/24/13/559652413.db2.gz ZSESNZPVEFYWER-DOTOQJQBSA-N 1 0 359.357 2.066 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424049310 559652710 /nfs/dbraw/zinc/65/27/10/559652710.db2.gz ZWDDPYOAIFKBED-UHFFFAOYSA-N 1 0 359.426 2.487 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424075658 559653871 /nfs/dbraw/zinc/65/38/71/559653871.db2.gz PMCBVJWEZVIVAY-UTUOFQBUSA-N 1 0 358.398 2.294 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424103563 559654846 /nfs/dbraw/zinc/65/48/46/559654846.db2.gz NOPBHXNMAIIZBA-INIZCTEOSA-N 1 0 372.429 2.162 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424103565 559654880 /nfs/dbraw/zinc/65/48/80/559654880.db2.gz NOPBHXNMAIIZBA-MRXNPFEDSA-N 1 0 372.429 2.162 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425090714 559686808 /nfs/dbraw/zinc/68/68/08/559686808.db2.gz XGGQMCLXVAJQQI-UHFFFAOYSA-N 1 0 364.431 2.194 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450273 559702782 /nfs/dbraw/zinc/70/27/82/559702782.db2.gz UKCKNFMQMXKCNJ-LBPRGKRZSA-N 1 0 372.263 2.246 20 5 FEBDRO CC[NH2+]Cc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000428323263 559773351 /nfs/dbraw/zinc/77/33/51/559773351.db2.gz VVMQMXYUZAQKON-UHFFFAOYSA-N 1 0 370.409 2.463 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428534440 559777307 /nfs/dbraw/zinc/77/73/07/559777307.db2.gz KAOCVKVRLJJOHB-KRWDZBQOSA-N 1 0 373.384 2.482 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000428658199 559780629 /nfs/dbraw/zinc/78/06/29/559780629.db2.gz DAAIAOBOUCWJOQ-HNNXBMFYSA-N 1 0 371.441 2.480 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000429760167 559805079 /nfs/dbraw/zinc/80/50/79/559805079.db2.gz MNDIUXOLDYZSPW-OUCADQQQSA-N 1 0 351.403 2.071 20 5 FEBDRO CC(C)(C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429903914 559808253 /nfs/dbraw/zinc/80/82/53/559808253.db2.gz BQIFYLXNVZZQNP-UHFFFAOYSA-N 1 0 374.485 2.112 20 5 FEBDRO Cc1cc(OCC(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000430311026 559817489 /nfs/dbraw/zinc/81/74/89/559817489.db2.gz GRFGDBGGOCIKOG-UHFFFAOYSA-N 1 0 369.421 2.457 20 5 FEBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000431013186 559832215 /nfs/dbraw/zinc/83/22/15/559832215.db2.gz HOPTVJYGCLSQJH-UHFFFAOYSA-N 1 0 369.365 2.409 20 5 FEBDRO CC(C)([NH3+])c1noc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000431073517 559833529 /nfs/dbraw/zinc/83/35/29/559833529.db2.gz KPFLOGBYJKRTIX-UHFFFAOYSA-N 1 0 361.402 2.215 20 5 FEBDRO CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC[NH2+]CC1 ZINC000431089996 559833831 /nfs/dbraw/zinc/83/38/31/559833831.db2.gz XDPHKQSCHCWJCE-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431549977 559841242 /nfs/dbraw/zinc/84/12/42/559841242.db2.gz ZFAAUVKNOIDKAG-UHFFFAOYSA-N 1 0 365.187 2.016 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433323235 559876949 /nfs/dbraw/zinc/87/69/49/559876949.db2.gz VPLNLHVAYXRDJN-CJNGLKHVSA-N 1 0 350.806 2.295 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440425842 560010825 /nfs/dbraw/zinc/01/08/25/560010825.db2.gz XHBZLZKAVKZEIW-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO Cc1cc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000440502134 560012706 /nfs/dbraw/zinc/01/27/06/560012706.db2.gz GMWNDIDVMXYEJZ-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000440823428 560019031 /nfs/dbraw/zinc/01/90/31/560019031.db2.gz VLRASYBKMKEEAJ-PXNSSMCTSA-N 1 0 372.421 2.148 20 5 FEBDRO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000441618091 560036268 /nfs/dbraw/zinc/03/62/68/560036268.db2.gz FELDPSPTTGRPLF-UHFFFAOYSA-N 1 0 365.430 2.462 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(OCCO)cc2)n1 ZINC000447572699 560164748 /nfs/dbraw/zinc/16/47/48/560164748.db2.gz DCWOEIJGFHUEJL-DLBZAZTESA-N 1 0 360.414 2.436 20 5 FEBDRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447575820 560164783 /nfs/dbraw/zinc/16/47/83/560164783.db2.gz VDKFELUWZZVGMH-HOTGVXAUSA-N 1 0 357.414 2.206 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447937713 560173899 /nfs/dbraw/zinc/17/38/99/560173899.db2.gz BTPAOMMXGATEPM-OAHLLOKOSA-N 1 0 355.460 2.135 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448878366 560204507 /nfs/dbraw/zinc/20/45/07/560204507.db2.gz PSYXTFSDXHGUHI-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156866 560218406 /nfs/dbraw/zinc/21/84/06/560218406.db2.gz TWASIULJGYGGCV-XJKSGUPXSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234633 560221257 /nfs/dbraw/zinc/22/12/57/560221257.db2.gz QXZAHHNDBWUHAC-GDBMZVCRSA-N 1 0 371.441 2.040 20 5 FEBDRO Cc1ccc(C[NH2+]Cc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000449467318 560231316 /nfs/dbraw/zinc/23/13/16/560231316.db2.gz ALBJANSTAVSCRC-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449624341 560235029 /nfs/dbraw/zinc/23/50/29/560235029.db2.gz NVRSNTYFMLGEQX-CQSZACIVSA-N 1 0 360.418 2.185 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000449668105 560236265 /nfs/dbraw/zinc/23/62/65/560236265.db2.gz KCEWNMZWQYKXTP-CABCVRRESA-N 1 0 353.806 2.217 20 5 FEBDRO Cn1cc(C(=O)NCCC[C@@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449677433 560236577 /nfs/dbraw/zinc/23/65/77/560236577.db2.gz BCXIJECTDLQEBP-AWEZNQCLSA-N 1 0 357.414 2.257 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000449689896 560236945 /nfs/dbraw/zinc/23/69/45/560236945.db2.gz MASXLOVBWOCNIG-STQMWFEESA-N 1 0 363.414 2.074 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710910 560237706 /nfs/dbraw/zinc/23/77/06/560237706.db2.gz CBFMYGIOFVFQEN-DGCLKSJQSA-N 1 0 353.444 2.080 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1C ZINC000450314877 560258140 /nfs/dbraw/zinc/25/81/40/560258140.db2.gz CJSVZBATSIUVPT-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(-n3ccnc3)c1)CC2 ZINC000450377038 560260553 /nfs/dbraw/zinc/26/05/53/560260553.db2.gz ICJMEPXVIHPFIU-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000450471659 560263482 /nfs/dbraw/zinc/26/34/82/560263482.db2.gz DLKWLBWAECUWKU-CYBMUJFWSA-N 1 0 360.414 2.045 20 5 FEBDRO CC1(C)OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451237668 560295097 /nfs/dbraw/zinc/29/50/97/560295097.db2.gz CFQQFUHOMUDNRL-GFCCVEGCSA-N 1 0 372.219 2.453 20 5 FEBDRO C[C@@]12C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357498 560302499 /nfs/dbraw/zinc/30/24/99/560302499.db2.gz AOKBEFMYVILEKN-VWQQLOEOSA-N 1 0 371.393 2.406 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000451486738 560309934 /nfs/dbraw/zinc/30/99/34/560309934.db2.gz DSVISAKPLHDAQE-LSDHHAIUSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501278 560310627 /nfs/dbraw/zinc/31/06/27/560310627.db2.gz OSBPHOQGNAMEBY-NZVBXONLSA-N 1 0 351.403 2.334 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451727303 560324992 /nfs/dbraw/zinc/32/49/92/560324992.db2.gz ANRVXVNMWZLKFI-AWEZNQCLSA-N 1 0 362.430 2.309 20 5 FEBDRO O=C(CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890509 560334886 /nfs/dbraw/zinc/33/48/86/560334886.db2.gz NIYZVFBKHMZVGZ-HZMBPMFUSA-N 1 0 361.320 2.169 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909570 560336484 /nfs/dbraw/zinc/33/64/84/560336484.db2.gz XHWPNSMCNJXZIS-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452095467 560350951 /nfs/dbraw/zinc/35/09/51/560350951.db2.gz KWKXFLDVPAJFTJ-GFCCVEGCSA-N 1 0 361.851 2.351 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454192205 560434062 /nfs/dbraw/zinc/43/40/62/560434062.db2.gz BBNYNTIUVONPAK-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000455252348 560475589 /nfs/dbraw/zinc/47/55/89/560475589.db2.gz UINOANFLOLYYQX-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)n1 ZINC000456317393 560515061 /nfs/dbraw/zinc/51/50/61/560515061.db2.gz APSUPCSKPRLEOG-HNNXBMFYSA-N 1 0 371.441 2.405 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457082888 560547601 /nfs/dbraw/zinc/54/76/01/560547601.db2.gz FNWFBZJXMFVXPL-OAHLLOKOSA-N 1 0 357.414 2.335 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457109429 560549736 /nfs/dbraw/zinc/54/97/36/560549736.db2.gz GTPBKQGJVHOSCP-CYBMUJFWSA-N 1 0 358.398 2.403 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457117761 560550571 /nfs/dbraw/zinc/55/05/71/560550571.db2.gz MLGFSCTWAVBROZ-LBPRGKRZSA-N 1 0 351.403 2.167 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000457370957 560564138 /nfs/dbraw/zinc/56/41/38/560564138.db2.gz HNJNPTFQVYVZKE-ROUUACIJSA-N 1 0 373.384 2.456 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459278695 560677421 /nfs/dbraw/zinc/67/74/21/560677421.db2.gz BMMMJTIPPMXJRR-AWEZNQCLSA-N 1 0 362.430 2.099 20 5 FEBDRO C[NH+](C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459544611 560693250 /nfs/dbraw/zinc/69/32/50/560693250.db2.gz DOWCDYSBRCUKLR-UHFFFAOYSA-N 1 0 373.251 2.226 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459714373 560703929 /nfs/dbraw/zinc/70/39/29/560703929.db2.gz OMKGYAOJFBYFKJ-HWKANZROSA-N 1 0 361.442 2.079 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459767656 560707083 /nfs/dbraw/zinc/70/70/83/560707083.db2.gz QDPLJQSGEHPGLO-HOTGVXAUSA-N 1 0 363.414 2.479 20 5 FEBDRO C[C@H]1COCCN1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463888040 560827872 /nfs/dbraw/zinc/82/78/72/560827872.db2.gz LUVTTZIWQXFIKP-JTQLQIEISA-N 1 0 361.320 2.064 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000465255362 560861510 /nfs/dbraw/zinc/86/15/10/560861510.db2.gz ODZDYTFMNARFRM-UHFFFAOYSA-N 1 0 364.446 2.261 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713616 560915471 /nfs/dbraw/zinc/91/54/71/560915471.db2.gz MVPPIATZXHFMAN-MGPLVRAMSA-N 1 0 356.382 2.061 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000472435368 561026409 /nfs/dbraw/zinc/02/64/09/561026409.db2.gz GFRTVIHRGLHJJD-UHFFFAOYSA-N 1 0 351.403 2.269 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932593 561061038 /nfs/dbraw/zinc/06/10/38/561061038.db2.gz MDNLUDOPHMUSOC-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO Cn1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000474308598 561070843 /nfs/dbraw/zinc/07/08/43/561070843.db2.gz UTNRYPVRZZMBHM-RISCZKNCSA-N 1 0 364.352 2.087 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000475293121 561094227 /nfs/dbraw/zinc/09/42/27/561094227.db2.gz WHVMBJFADCYJIZ-KRWDZBQOSA-N 1 0 352.387 2.148 20 5 FEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000475432522 561097051 /nfs/dbraw/zinc/09/70/51/561097051.db2.gz RXGPUEKQZKTPCK-UKRRQHHQSA-N 1 0 362.430 2.160 20 5 FEBDRO CN1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000531140303 562436031 /nfs/dbraw/zinc/43/60/31/562436031.db2.gz AUYUOHDPFQXBRF-UHFFFAOYSA-N 1 0 372.267 2.192 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000531190373 562437614 /nfs/dbraw/zinc/43/76/14/562437614.db2.gz RGJHCTIMSJJPLP-ZIAGYGMSSA-N 1 0 351.451 2.267 20 5 FEBDRO CC[C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000532187041 562470275 /nfs/dbraw/zinc/47/02/75/562470275.db2.gz FXNBJXUPOXKKDZ-LBPRGKRZSA-N 1 0 362.352 2.482 20 5 FEBDRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532900048 562491990 /nfs/dbraw/zinc/49/19/90/562491990.db2.gz GATBELKNDQUUEY-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)CC1 ZINC000535139839 562551832 /nfs/dbraw/zinc/55/18/32/562551832.db2.gz AZAFZHJGSDDZOT-ZDUSSCGKSA-N 1 0 361.398 2.127 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000536854540 562581438 /nfs/dbraw/zinc/58/14/38/562581438.db2.gz YLUVQEYFTZSOMQ-SIIHOXLZSA-N 1 0 363.414 2.240 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000537013851 562584042 /nfs/dbraw/zinc/58/40/42/562584042.db2.gz SYPZOGCZIOGDRO-HOTGVXAUSA-N 1 0 353.444 2.041 20 5 FEBDRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162337 562586767 /nfs/dbraw/zinc/58/67/67/562586767.db2.gz VDROBVQRGMRBBA-YWZLYKJASA-N 1 0 369.421 2.409 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CCO)c2ccccc2Br)c1 ZINC000541021318 562600550 /nfs/dbraw/zinc/60/05/50/562600550.db2.gz XODDPFOMXFYIKG-AWEZNQCLSA-N 1 0 369.219 2.267 20 5 FEBDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000541056329 562601636 /nfs/dbraw/zinc/60/16/36/562601636.db2.gz WSLRXONRLXYTQP-GOSISDBHSA-N 1 0 369.421 2.370 20 5 FEBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000568503313 568039501 /nfs/dbraw/zinc/03/95/01/568039501.db2.gz OLKHIJJXZDGWRA-HIFRSBDPSA-N 1 0 369.425 2.089 20 5 FEBDRO Cn1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])n1 ZINC000602823427 568045741 /nfs/dbraw/zinc/04/57/41/568045741.db2.gz KTLMJLZBGUHIBL-INIZCTEOSA-N 1 0 350.806 2.473 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H]1C ZINC000569000838 568266128 /nfs/dbraw/zinc/26/61/28/568266128.db2.gz NUQSXOBCDODRLM-KGLIPLIRSA-N 1 0 366.437 2.489 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000569040513 568278240 /nfs/dbraw/zinc/27/82/40/568278240.db2.gz FUCXDNDBUWQOCT-UHFFFAOYSA-N 1 0 363.462 2.357 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000569233038 568316309 /nfs/dbraw/zinc/31/63/09/568316309.db2.gz ULZILEYKQAIPOC-RAIGVLPGSA-N 1 0 350.341 2.111 20 5 FEBDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569629634 568411154 /nfs/dbraw/zinc/41/11/54/568411154.db2.gz PVUJONRSICICII-CQSZACIVSA-N 1 0 363.805 2.490 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000570442570 568476650 /nfs/dbraw/zinc/47/66/50/568476650.db2.gz GGKVAHZLBUQNAB-ZDUSSCGKSA-N 1 0 367.471 2.364 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000557742295 674463535 /nfs/dbraw/zinc/46/35/35/674463535.db2.gz FJSWRFVLKRFOPD-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC(O)C1 ZINC000558499831 674500212 /nfs/dbraw/zinc/50/02/12/674500212.db2.gz KGKOIMRKIVZHHK-UHFFFAOYSA-N 1 0 362.411 2.112 20 5 FEBDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705146 674506216 /nfs/dbraw/zinc/50/62/16/674506216.db2.gz OVQDBYBLSVXCRX-BZNIZROVSA-N 1 0 366.805 2.201 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809710806 674506558 /nfs/dbraw/zinc/50/65/58/674506558.db2.gz ZNFQVWVDNQFBJH-GFCCVEGCSA-N 1 0 361.851 2.152 20 5 FEBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809804652 674510628 /nfs/dbraw/zinc/51/06/28/674510628.db2.gz HYULZLDFXXOOHD-UHFFFAOYSA-N 1 0 353.803 2.007 20 5 FEBDRO CC(=O)NCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000558864758 674518529 /nfs/dbraw/zinc/51/85/29/674518529.db2.gz ARBIWUKZJQAPPG-UHFFFAOYSA-N 1 0 351.472 2.471 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569612 608564011 /nfs/dbraw/zinc/56/40/11/608564011.db2.gz JFYBPDPAANCEMF-BZNIZROVSA-N 1 0 354.370 2.159 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000811543424 674612329 /nfs/dbraw/zinc/61/23/29/674612329.db2.gz VIKUVGCKGITFAB-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ccc(F)cc2)c1 ZINC000561075230 674634522 /nfs/dbraw/zinc/63/45/22/674634522.db2.gz GTOFJAURZLYVIZ-OAHLLOKOSA-N 1 0 350.346 2.142 20 5 FEBDRO COC(=O)c1cc(C)nc(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000561107348 674637816 /nfs/dbraw/zinc/63/78/16/674637816.db2.gz ZZZFSKDRWNHRDD-ZDUSSCGKSA-N 1 0 350.419 2.761 20 5 FEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000563417790 674884360 /nfs/dbraw/zinc/88/43/60/674884360.db2.gz MGMJNJCUZQELBU-INIZCTEOSA-N 1 0 361.423 2.280 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)cc1[N+](=O)[O-] ZINC000563445235 674889713 /nfs/dbraw/zinc/88/97/13/674889713.db2.gz AXVMTXFWQKHNPG-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021697 674899874 /nfs/dbraw/zinc/89/98/74/674899874.db2.gz OUZNKIWEEGZJHG-UHFFFAOYSA-N 1 0 367.830 2.350 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815559295 674959496 /nfs/dbraw/zinc/95/94/96/674959496.db2.gz CSHVJCBXWUTKAQ-GFCCVEGCSA-N 1 0 370.475 2.032 20 5 FEBDRO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c(Cl)c1 ZINC001048814719 675015612 /nfs/dbraw/zinc/01/56/12/675015612.db2.gz ZPLIEPRSPQLGOB-JYYAWHABSA-N 1 0 363.845 2.204 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000053671919 670325827 /nfs/dbraw/zinc/32/58/27/670325827.db2.gz FSUFUYBZZNWNKZ-UHFFFAOYSA-N 1 0 373.450 2.475 20 5 FEBDRO CCn1c(SC[C@H](O)C[N@H+](C)CC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000565224830 675103745 /nfs/dbraw/zinc/10/37/45/675103745.db2.gz NQQRROLTOAAPSK-CQSZACIVSA-N 1 0 365.459 2.278 20 5 FEBDRO CCn1c(SC[C@@H](O)C[N@H+](C)CC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000565224829 675103831 /nfs/dbraw/zinc/10/38/31/675103831.db2.gz NQQRROLTOAAPSK-AWEZNQCLSA-N 1 0 365.459 2.278 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000817399865 675129224 /nfs/dbraw/zinc/12/92/24/675129224.db2.gz BLVDWCLXDAERMB-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO CCOC(=O)C1CCC(O)(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000565594778 675134973 /nfs/dbraw/zinc/13/49/73/675134973.db2.gz XJSLAKXEWDQZMX-UHFFFAOYSA-N 1 0 350.415 2.211 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003507 670747445 /nfs/dbraw/zinc/74/74/45/670747445.db2.gz FDBOMPLTENKHKY-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000571157038 670825557 /nfs/dbraw/zinc/82/55/57/670825557.db2.gz WZTDXTJMTCBPKV-YGRLFVJLSA-N 1 0 368.231 2.442 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000571313541 670854399 /nfs/dbraw/zinc/85/43/99/670854399.db2.gz GREUOATVLDGZFQ-NVGCLXPQSA-N 1 0 367.471 2.339 20 5 FEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000571626944 670902767 /nfs/dbraw/zinc/90/27/67/670902767.db2.gz MUQQGIRZHDUTJQ-YJNKXOJESA-N 1 0 370.475 2.220 20 5 FEBDRO COc1cc(C(=O)NCC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000572568183 671017782 /nfs/dbraw/zinc/01/77/82/671017782.db2.gz GNYQZZSVDFBLLL-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000573742931 671159595 /nfs/dbraw/zinc/15/95/95/671159595.db2.gz AQGRYZIVEGSTAS-SWHYSGLUSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000573742929 671159633 /nfs/dbraw/zinc/15/96/33/671159633.db2.gz AQGRYZIVEGSTAS-GDLCADMTSA-N 1 0 355.460 2.206 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000574936988 671287453 /nfs/dbraw/zinc/28/74/53/671287453.db2.gz PVHIWORZKCGGGF-MRXNPFEDSA-N 1 0 351.447 2.189 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000575740856 671316917 /nfs/dbraw/zinc/31/69/17/671316917.db2.gz KKHCKEKPDNSYJU-YPMHNXCESA-N 1 0 351.403 2.249 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000575890912 671329131 /nfs/dbraw/zinc/32/91/31/671329131.db2.gz DNDBQBGPXJGWAS-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608811995 675904303 /nfs/dbraw/zinc/90/43/03/675904303.db2.gz AENIQRGEWVSIGG-OKILXGFUSA-N 1 0 351.451 2.011 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000579704675 671754628 /nfs/dbraw/zinc/75/46/28/671754628.db2.gz DANPDIZMDKJCRX-KGLIPLIRSA-N 1 0 358.320 2.088 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000580052097 671779367 /nfs/dbraw/zinc/77/93/67/671779367.db2.gz FTZOKMUNXJOSDE-HDJSIYSDSA-N 1 0 350.419 2.038 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000119747131 671907431 /nfs/dbraw/zinc/90/74/31/671907431.db2.gz QZAVEPHDDGPAPS-LBPRGKRZSA-N 1 0 369.468 2.455 20 5 FEBDRO CCOC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000581662235 671923086 /nfs/dbraw/zinc/92/30/86/671923086.db2.gz BUNSAKQZDWACNX-UHFFFAOYSA-N 1 0 356.444 2.307 20 5 FEBDRO Cn1ccnc1[C@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000582085690 671966437 /nfs/dbraw/zinc/96/64/37/671966437.db2.gz SFQPIRWWZHPEMH-JTQLQIEISA-N 1 0 350.325 2.165 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000583081535 672062075 /nfs/dbraw/zinc/06/20/75/672062075.db2.gz TVTLWSJWVDEPJZ-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000583435457 672094582 /nfs/dbraw/zinc/09/45/82/672094582.db2.gz FERVWUWLYFWNAA-BZUAXINKSA-N 1 0 351.447 2.045 20 5 FEBDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000610538796 675978781 /nfs/dbraw/zinc/97/87/81/675978781.db2.gz LAXYNUXAFSNCCV-CYBMUJFWSA-N 1 0 363.439 2.495 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137061160 672140646 /nfs/dbraw/zinc/14/06/46/672140646.db2.gz YNPQXEAPSTWXNJ-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000154285779 672213744 /nfs/dbraw/zinc/21/37/44/672213744.db2.gz OTSSOYDABUDDSE-GFCCVEGCSA-N 1 0 373.450 2.443 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])c1F ZINC000154305174 672214078 /nfs/dbraw/zinc/21/40/78/672214078.db2.gz JKBWSPIWZLANFS-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155474663 672233836 /nfs/dbraw/zinc/23/38/36/672233836.db2.gz BLKGXDITYOHKPR-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000610733452 675992662 /nfs/dbraw/zinc/99/26/62/675992662.db2.gz ODBVQAADTDAIBU-ZDUSSCGKSA-N 1 0 353.444 2.373 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000159095040 672277449 /nfs/dbraw/zinc/27/74/49/672277449.db2.gz SSCKADSLGROWKW-SECBINFHSA-N 1 0 354.204 2.324 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174846765 672363931 /nfs/dbraw/zinc/36/39/31/672363931.db2.gz CYBLCRQKUSQPGO-UHFFFAOYSA-N 1 0 368.865 2.234 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176715609 672376348 /nfs/dbraw/zinc/37/63/48/672376348.db2.gz NYNFBKUJCCHURT-BETUJISGSA-N 1 0 353.394 2.271 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165334 672562293 /nfs/dbraw/zinc/56/22/93/672562293.db2.gz GHGYHSJFVQEHSV-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590566411 672590387 /nfs/dbraw/zinc/59/03/87/672590387.db2.gz HLBUBQNXUYTNNB-QMTHXVAHSA-N 1 0 370.247 2.451 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590863 672593661 /nfs/dbraw/zinc/59/36/61/672593661.db2.gz KFVZTBALPDGPFY-DGCLKSJQSA-N 1 0 373.450 2.441 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000590762760 672613787 /nfs/dbraw/zinc/61/37/87/672613787.db2.gz DPXWIHSGIMLVEB-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000591144286 672654120 /nfs/dbraw/zinc/65/41/20/672654120.db2.gz HQVMRKJJWFVAJT-OLZOCXBDSA-N 1 0 360.336 2.044 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000591144285 672654227 /nfs/dbraw/zinc/65/42/27/672654227.db2.gz HQVMRKJJWFVAJT-CHWSQXEVSA-N 1 0 360.336 2.044 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000591676542 672700623 /nfs/dbraw/zinc/70/06/23/672700623.db2.gz VSJKHURUPFTZNI-SMDDNHRTSA-N 1 0 351.403 2.202 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592390618 672796713 /nfs/dbraw/zinc/79/67/13/672796713.db2.gz MBCBICUTIKHZKO-HUUCEWRRSA-N 1 0 367.471 2.304 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592557586 672814322 /nfs/dbraw/zinc/81/43/22/672814322.db2.gz CLUAVAAOHROSAJ-WBVHZDCISA-N 1 0 365.455 2.042 20 5 FEBDRO COC(=O)c1cc(C(=O)NCCC[N@H+](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000593206267 672891602 /nfs/dbraw/zinc/89/16/02/672891602.db2.gz AWTCYOUYRTYJNM-UHFFFAOYSA-N 1 0 351.403 2.089 20 5 FEBDRO CC[N@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C)C1CCCCC1 ZINC000593251776 672898541 /nfs/dbraw/zinc/89/85/41/672898541.db2.gz SWZGIAZZGBSFTL-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593549523 672940029 /nfs/dbraw/zinc/94/00/29/672940029.db2.gz VEXFGGYJDHMKKY-UHFFFAOYSA-N 1 0 370.475 2.122 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000593729513 672983517 /nfs/dbraw/zinc/98/35/17/672983517.db2.gz BHICYLBHAXOSHV-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000612735735 676095870 /nfs/dbraw/zinc/09/58/70/676095870.db2.gz MMAWDLUVLSTOMT-UHFFFAOYSA-N 1 0 359.367 2.117 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594451264 673074026 /nfs/dbraw/zinc/07/40/26/673074026.db2.gz HCNFBIDEWILQLE-LHLIQPBNSA-N 1 0 355.700 2.021 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594793927 673145174 /nfs/dbraw/zinc/14/51/74/673145174.db2.gz WMPLVAULVIKRJZ-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594793918 673145390 /nfs/dbraw/zinc/14/53/90/673145390.db2.gz WKUOSIPLJZBBEC-ZDUSSCGKSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595112908 673195343 /nfs/dbraw/zinc/19/53/43/673195343.db2.gz FULAYSOJEIWALW-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595228791 673211715 /nfs/dbraw/zinc/21/17/15/673211715.db2.gz LYWHKQQOFQMPSI-YPMHNXCESA-N 1 0 353.444 2.032 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC[C@H]1F ZINC000595232384 673212394 /nfs/dbraw/zinc/21/23/94/673212394.db2.gz ZWPJMPGBJJMIJW-GHMZBOCLSA-N 1 0 361.171 2.260 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000595411498 673246117 /nfs/dbraw/zinc/24/61/17/673246117.db2.gz RJQPNTKTTZMHKI-MRXNPFEDSA-N 1 0 367.471 2.136 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595597731 673271641 /nfs/dbraw/zinc/27/16/41/673271641.db2.gz TVDYLKZNYGZJLH-QGZVFWFLSA-N 1 0 350.415 2.131 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C[NH3+])C(F)(F)F ZINC000595907236 673337146 /nfs/dbraw/zinc/33/71/46/673337146.db2.gz HRGFDYGATRRCPF-SNVBAGLBSA-N 1 0 354.716 2.008 20 5 FEBDRO COCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCCC1 ZINC000595909006 673337573 /nfs/dbraw/zinc/33/75/73/673337573.db2.gz KVELNTKDRXKNJR-UHFFFAOYSA-N 1 0 351.403 2.481 20 5 FEBDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000595922052 673340613 /nfs/dbraw/zinc/34/06/13/673340613.db2.gz NUJOIOLJALXFAO-ZIAGYGMSSA-N 1 0 351.403 2.092 20 5 FEBDRO CC(C)[N@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000732028112 673351320 /nfs/dbraw/zinc/35/13/20/673351320.db2.gz OANWDIMMXRRRKH-UHFFFAOYSA-N 1 0 351.375 2.343 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000732575225 673372626 /nfs/dbraw/zinc/37/26/26/673372626.db2.gz YBZHOZWWDCXNOZ-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO COc1cc(CN(C)CC2C[NH+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597203657 673456305 /nfs/dbraw/zinc/45/63/05/673456305.db2.gz UMCSWQUSBPNAGK-UHFFFAOYSA-N 1 0 359.373 2.241 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000597573577 673488593 /nfs/dbraw/zinc/48/85/93/673488593.db2.gz FSIHYCAPPNGYGV-QGZVFWFLSA-N 1 0 367.471 2.236 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598260372 673553202 /nfs/dbraw/zinc/55/32/02/673553202.db2.gz BKFWUNMBXFIAMY-CYBMUJFWSA-N 1 0 351.451 2.035 20 5 FEBDRO CCC[N@@H+]1CC[C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342408 673561540 /nfs/dbraw/zinc/56/15/40/673561540.db2.gz MUNHSHNTJVTATC-AWEZNQCLSA-N 1 0 367.471 2.437 20 5 FEBDRO COC(=O)c1ccnc(NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000598587612 673586839 /nfs/dbraw/zinc/58/68/39/673586839.db2.gz STQLUZQDQSPULV-UHFFFAOYSA-N 1 0 350.419 2.843 20 5 FEBDRO COC(=O)c1ccnc(NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598590578 673587268 /nfs/dbraw/zinc/58/72/68/673587268.db2.gz PAKVLBKAZOYWJM-CYBMUJFWSA-N 1 0 350.419 2.843 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668481 673596470 /nfs/dbraw/zinc/59/64/70/673596470.db2.gz UOIWKXQABJHWPL-OTYXRUKQSA-N 1 0 354.204 2.311 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542749331 673601921 /nfs/dbraw/zinc/60/19/21/673601921.db2.gz DOTZTECRWYKSLE-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599058181 673630607 /nfs/dbraw/zinc/63/06/07/673630607.db2.gz FGDZIIOTQKBHPY-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599113069 673634344 /nfs/dbraw/zinc/63/43/44/673634344.db2.gz YDXWDRZOWKUJQE-LBPRGKRZSA-N 1 0 356.220 2.427 20 5 FEBDRO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000543588378 673655048 /nfs/dbraw/zinc/65/50/48/673655048.db2.gz PHRWYKCOCFBSMM-MEDUHNTESA-N 1 0 355.435 2.391 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000599464573 673678798 /nfs/dbraw/zinc/67/87/98/673678798.db2.gz OEUQIQZUGYVWOF-INIZCTEOSA-N 1 0 353.444 2.031 20 5 FEBDRO CC1(C)CCC[C@@](CO)([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599597745 673695802 /nfs/dbraw/zinc/69/58/02/673695802.db2.gz XQDQYQDKLQCPPA-KBXCAEBGSA-N 1 0 352.431 2.255 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625765 673698748 /nfs/dbraw/zinc/69/87/48/673698748.db2.gz OKGHCQPSVXIONE-VZAVHYRXSA-N 1 0 351.403 2.332 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625082 673698791 /nfs/dbraw/zinc/69/87/91/673698791.db2.gz LHIXCMIYKPYVGK-UWCDFFNFSA-N 1 0 351.403 2.334 20 5 FEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]21 ZINC000599999547 673732983 /nfs/dbraw/zinc/73/29/83/673732983.db2.gz FEHYXIXDBNVVPB-NHAGDIPZSA-N 1 0 358.423 2.350 20 5 FEBDRO CC(C)C[C@H](Nc1ncc([N+](=O)[O-])s1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000601192288 673831954 /nfs/dbraw/zinc/83/19/54/673831954.db2.gz UHPPEUDQNRKNAO-NEPJUHHUSA-N 1 0 355.464 2.040 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601320279 673842307 /nfs/dbraw/zinc/84/23/07/673842307.db2.gz YBWHQFBPSKDQDD-GFCCVEGCSA-N 1 0 359.473 2.214 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000601337669 673844657 /nfs/dbraw/zinc/84/46/57/673844657.db2.gz HHBHWEDNVINGDV-GXTWGEPZSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601341989 673845172 /nfs/dbraw/zinc/84/51/72/673845172.db2.gz NORAGMMXLSBKAO-OLZOCXBDSA-N 1 0 371.434 2.053 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000601341639 673845232 /nfs/dbraw/zinc/84/52/32/673845232.db2.gz HTEZFLJCUCPULX-KBPBESRZSA-N 1 0 371.434 2.338 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601356614 673847548 /nfs/dbraw/zinc/84/75/48/673847548.db2.gz SJPUQRBKWKVQIC-ZYHUDNBSSA-N 1 0 361.489 2.316 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)C1CC[NH+](C)CC1 ZINC000601429107 673860695 /nfs/dbraw/zinc/86/06/95/673860695.db2.gz SBPUPJYOTGBALK-UHFFFAOYSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000602019481 673901315 /nfs/dbraw/zinc/90/13/15/673901315.db2.gz DXOZKFLGYSLNII-ZYHUDNBSSA-N 1 0 359.373 2.274 20 5 FEBDRO COCCc1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000602474754 673906713 /nfs/dbraw/zinc/90/67/13/673906713.db2.gz RQMBGUNQKITNIP-GFCCVEGCSA-N 1 0 363.443 2.322 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602509682 673907104 /nfs/dbraw/zinc/90/71/04/673907104.db2.gz HPZCCTAOBJSUEB-BBRMVZONSA-N 1 0 351.378 2.092 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](O)C2CCOCC2)cc1Br ZINC000602544947 673907687 /nfs/dbraw/zinc/90/76/87/673907687.db2.gz COEPGKIWNHQRFD-NSHDSACASA-N 1 0 365.249 2.296 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602538267 673907717 /nfs/dbraw/zinc/90/77/17/673907717.db2.gz BVGNMXDAWNYFQX-QWRGUYRKSA-N 1 0 361.320 2.203 20 5 FEBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(F)(F)F ZINC000602579336 673908362 /nfs/dbraw/zinc/90/83/62/673908362.db2.gz JTDSWODRWKQDPD-GXTWGEPZSA-N 1 0 362.352 2.250 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC1CS(=O)(=O)C1 ZINC000602629578 673908665 /nfs/dbraw/zinc/90/86/65/673908665.db2.gz LQQFXXJTNKNHCV-UHFFFAOYSA-N 1 0 352.334 2.138 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000603386360 673928627 /nfs/dbraw/zinc/92/86/27/673928627.db2.gz WSWORRZPZYPYDN-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818613391 675228483 /nfs/dbraw/zinc/22/84/83/675228483.db2.gz NJKFUNQHNVVYEJ-SCVCMEIPSA-N 1 0 350.375 2.257 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000819246365 675274026 /nfs/dbraw/zinc/27/40/26/675274026.db2.gz KKSFHIJDAVHYTQ-HNNXBMFYSA-N 1 0 361.364 2.492 20 5 FEBDRO C[NH+]1CCC(N(CCO)C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000824158160 675586435 /nfs/dbraw/zinc/58/64/35/675586435.db2.gz NQOOMUPPXDMPGQ-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1C ZINC000827660830 675771592 /nfs/dbraw/zinc/77/15/92/675771592.db2.gz BCRGUAQRJOEZOJ-STQMWFEESA-N 1 0 355.460 2.307 20 5 FEBDRO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000616132233 676240389 /nfs/dbraw/zinc/24/03/89/676240389.db2.gz LJCCSLRRQITKTN-AWEZNQCLSA-N 1 0 352.387 2.005 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000619476417 676379370 /nfs/dbraw/zinc/37/93/70/676379370.db2.gz OOFZDYCXWHGGDO-OLZOCXBDSA-N 1 0 371.459 2.145 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[NH+](C)C ZINC000619498516 676381870 /nfs/dbraw/zinc/38/18/70/676381870.db2.gz SCVQOZQTCZKMRO-AWEZNQCLSA-N 1 0 373.475 2.248 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2F)CC1 ZINC000829883092 677016230 /nfs/dbraw/zinc/01/62/30/677016230.db2.gz JYEPNGGQTRYFBH-UHFFFAOYSA-N 1 0 357.357 2.241 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)c(OC(F)F)c1 ZINC000760549266 680692212 /nfs/dbraw/zinc/69/22/12/680692212.db2.gz HJXSHLRYLDJQNG-UHFFFAOYSA-N 1 0 357.357 2.497 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000760901305 680704445 /nfs/dbraw/zinc/70/44/45/680704445.db2.gz QSCRFVHHLMPVMD-UHFFFAOYSA-N 1 0 353.394 2.007 20 5 FEBDRO C[C@H](C[NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841963413 680919166 /nfs/dbraw/zinc/91/91/66/680919166.db2.gz RHHDFJROFMALSQ-SECBINFHSA-N 1 0 371.235 2.020 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+](C)C ZINC000839504216 680757720 /nfs/dbraw/zinc/75/77/20/680757720.db2.gz KVROVGFIKNTFKI-JTQLQIEISA-N 1 0 370.837 2.279 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839592278 680764444 /nfs/dbraw/zinc/76/44/44/680764444.db2.gz QJKDOSAYYDPSKR-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831737642 680035214 /nfs/dbraw/zinc/03/52/14/680035214.db2.gz JSPLKRWSOSXHNO-ZDUSSCGKSA-N 1 0 374.235 2.054 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831751284 680038157 /nfs/dbraw/zinc/03/81/57/680038157.db2.gz HWMRFAHWZSJLPB-LLVKDONJSA-N 1 0 371.459 2.022 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000832132162 680099746 /nfs/dbraw/zinc/09/97/46/680099746.db2.gz TXWXFWVEKFQUMX-CABCVRRESA-N 1 0 353.419 2.386 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000832690412 680166081 /nfs/dbraw/zinc/16/60/81/680166081.db2.gz GESOGFFYGIWWGA-JOYOIKCWSA-N 1 0 354.204 2.133 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000997773150 680365555 /nfs/dbraw/zinc/36/55/55/680365555.db2.gz UPHNVICHEJEURH-HUUCEWRRSA-N 1 0 359.417 2.305 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368194 680458847 /nfs/dbraw/zinc/45/88/47/680458847.db2.gz LXAFVMDGGNRFOI-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600796 680487931 /nfs/dbraw/zinc/48/79/31/680487931.db2.gz ZQLKVQMQJXLANF-NSHDSACASA-N 1 0 356.810 2.217 20 5 FEBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000912386748 685364210 /nfs/dbraw/zinc/36/42/10/685364210.db2.gz IOTFCPQYLVKTDQ-UHFFFAOYSA-N 1 0 360.817 2.001 20 5 FEBDRO O=C(NCC1CC[NH2+]CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160689 680866921 /nfs/dbraw/zinc/86/69/21/680866921.db2.gz FDGWLPMIZZUDMW-UHFFFAOYSA-N 1 0 357.208 2.478 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842474121 680949243 /nfs/dbraw/zinc/94/92/43/680949243.db2.gz FXENOBXFRYBECZ-SDDRHHMPSA-N 1 0 352.822 2.402 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1F ZINC000842484444 680950366 /nfs/dbraw/zinc/95/03/66/680950366.db2.gz JDLNXXQAVKALTE-LBPRGKRZSA-N 1 0 365.386 2.121 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000768864438 680962248 /nfs/dbraw/zinc/96/22/48/680962248.db2.gz RAHIECVLMXVRBV-FZMZJTMJSA-N 1 0 371.484 2.294 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000842827354 680969878 /nfs/dbraw/zinc/96/98/78/680969878.db2.gz DSBLIFYHCCNVQL-AWEZNQCLSA-N 1 0 361.851 2.225 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000842837912 680970737 /nfs/dbraw/zinc/97/07/37/680970737.db2.gz AOCFIEUDEWUENM-LLVKDONJSA-N 1 0 361.851 2.306 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000842873969 680972919 /nfs/dbraw/zinc/97/29/19/680972919.db2.gz QYWMWRDUUTZWRU-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000842892916 680974067 /nfs/dbraw/zinc/97/40/67/680974067.db2.gz IMYIRSUDXTUDPC-OLZOCXBDSA-N 1 0 371.434 2.053 20 5 FEBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843102485 680987750 /nfs/dbraw/zinc/98/77/50/680987750.db2.gz XBWPTJWPFYRVHQ-XPKDYRNWSA-N 1 0 350.371 2.029 20 5 FEBDRO Cc1c(I)cc([N+](=O)[O-])cc1-c1nc(CC[NH3+])no1 ZINC000843132278 680989236 /nfs/dbraw/zinc/98/92/36/680989236.db2.gz QJMGCYTVDVFFDI-UHFFFAOYSA-N 1 0 374.138 2.059 20 5 FEBDRO C[NH+](C)C1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000932361254 681235528 /nfs/dbraw/zinc/23/55/28/681235528.db2.gz LDGRXJYLHUSEKO-UHFFFAOYSA-N 1 0 371.235 2.106 20 5 FEBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000774904707 681248584 /nfs/dbraw/zinc/24/85/84/681248584.db2.gz JSVVCUSEKFYBMJ-UHFFFAOYSA-N 1 0 353.375 2.255 20 5 FEBDRO C[NH+]1CCC(OCC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000933497807 681422171 /nfs/dbraw/zinc/42/21/71/681422171.db2.gz IKNUXSXAGGQOAJ-QGZVFWFLSA-N 1 0 365.455 2.280 20 5 FEBDRO COCC[NH+]1CCC(OC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000847885059 681446032 /nfs/dbraw/zinc/44/60/32/681446032.db2.gz XDTJSJYZVALLLA-LBPRGKRZSA-N 1 0 354.378 2.491 20 5 FEBDRO C[C@@H](COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000847958764 681455749 /nfs/dbraw/zinc/45/57/49/681455749.db2.gz AWRUSDHUXAMQCP-LBPRGKRZSA-N 1 0 350.371 2.397 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000934223283 681528781 /nfs/dbraw/zinc/52/87/81/681528781.db2.gz SVSDWZUNZLTQTB-ZDUSSCGKSA-N 1 0 365.455 2.111 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000848535927 681574135 /nfs/dbraw/zinc/57/41/35/681574135.db2.gz MALDZCZPARCEIS-STQMWFEESA-N 1 0 353.423 2.217 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581630 681582901 /nfs/dbraw/zinc/58/29/01/681582901.db2.gz BHSSNEZQRNQRFW-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000935550752 681773418 /nfs/dbraw/zinc/77/34/18/681773418.db2.gz IKAHIDLZTYUNAC-UHFFFAOYSA-N 1 0 355.822 2.019 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364239 681891777 /nfs/dbraw/zinc/89/17/77/681891777.db2.gz VVYFCBCUADTRRP-HWKANZROSA-N 1 0 352.334 2.175 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000957547325 681906399 /nfs/dbraw/zinc/90/63/99/681906399.db2.gz BAOXIWZMTKPZHI-ZIAGYGMSSA-N 1 0 364.471 2.013 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1cncs1)CC2 ZINC000957547327 681906543 /nfs/dbraw/zinc/90/65/43/681906543.db2.gz BBWVTPPEFNOCQQ-HUUCEWRRSA-N 1 0 364.471 2.013 20 5 FEBDRO CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712959 681918948 /nfs/dbraw/zinc/91/89/48/681918948.db2.gz CDCWTPAXOCJHCC-HZPDHXFCSA-N 1 0 351.472 2.474 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000850590044 681921034 /nfs/dbraw/zinc/92/10/34/681921034.db2.gz TZQMYKSBURFYMD-CYBMUJFWSA-N 1 0 371.434 2.134 20 5 FEBDRO Cc1cc2c(cc1[N+](=O)[O-])N(S(=O)(=O)C[C@@]13CC[N@H+](C1)CCC3)CC2 ZINC000914327015 685504119 /nfs/dbraw/zinc/50/41/19/685504119.db2.gz XTYARKWNQAETIH-KRWDZBQOSA-N 1 0 365.455 2.081 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000782481755 682047550 /nfs/dbraw/zinc/04/75/50/682047550.db2.gz CSWUGVFTFGMTMG-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO C[NH+](C)C1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000783751559 682173236 /nfs/dbraw/zinc/17/32/36/682173236.db2.gz NNOYOXUYEDTOPY-UHFFFAOYSA-N 1 0 350.375 2.036 20 5 FEBDRO O=C(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 ZINC000916570504 685525585 /nfs/dbraw/zinc/52/55/85/685525585.db2.gz GRCCMYVXHRUWRK-OAHLLOKOSA-N 1 0 351.309 2.135 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000917652034 685533523 /nfs/dbraw/zinc/53/35/23/685533523.db2.gz LEGOXUGKWMTHSV-CQSZACIVSA-N 1 0 361.439 2.379 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000918468360 685539276 /nfs/dbraw/zinc/53/92/76/685539276.db2.gz QNDUVTYXYVJTFE-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000854183679 682522250 /nfs/dbraw/zinc/52/22/50/682522250.db2.gz AQOOQIQIXGUADF-ZDUSSCGKSA-N 1 0 368.821 2.311 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854352472 682541259 /nfs/dbraw/zinc/54/12/59/682541259.db2.gz DDESJOITGYDAAL-NSHDSACASA-N 1 0 373.240 2.021 20 5 FEBDRO Nc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000854494637 682558737 /nfs/dbraw/zinc/55/87/37/682558737.db2.gz DNZXJGVJOOCNFL-CYBMUJFWSA-N 1 0 350.444 2.333 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855898564 682723360 /nfs/dbraw/zinc/72/33/60/682723360.db2.gz PZFZHUQGTAIILO-CYBMUJFWSA-N 1 0 353.394 2.349 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000791382476 682739468 /nfs/dbraw/zinc/73/94/68/682739468.db2.gz ZIDVGJBHTDZRHC-NEPJUHHUSA-N 1 0 352.410 2.403 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763070 682910744 /nfs/dbraw/zinc/91/07/44/682910744.db2.gz NYUAHHKAUFJVCR-NSHDSACASA-N 1 0 355.341 2.357 20 5 FEBDRO O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767909 682911095 /nfs/dbraw/zinc/91/10/95/682911095.db2.gz JXJAIEGLWAAQHB-HNNXBMFYSA-N 1 0 355.341 2.169 20 5 FEBDRO COc1c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000796707242 683187972 /nfs/dbraw/zinc/18/79/72/683187972.db2.gz BZHMHYAIQORVNK-ZDUSSCGKSA-N 1 0 352.387 2.117 20 5 FEBDRO C[NH+]1CCC2(CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000798405367 683343085 /nfs/dbraw/zinc/34/30/85/683343085.db2.gz WGPRNJOCZHQXNW-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO CC(C)[C@@H](C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](C)C ZINC000798856411 683398464 /nfs/dbraw/zinc/39/84/64/683398464.db2.gz BYZQBEOMSLHKAI-BBRMVZONSA-N 1 0 353.394 2.442 20 5 FEBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928430958 683449951 /nfs/dbraw/zinc/44/99/51/683449951.db2.gz KHLLQHXXMKQBLT-BXKDBHETSA-N 1 0 356.220 2.109 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171157 683556598 /nfs/dbraw/zinc/55/65/98/683556598.db2.gz GXHAFDMQKLIQPH-OLZOCXBDSA-N 1 0 360.336 2.222 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000863562915 683742528 /nfs/dbraw/zinc/74/25/28/683742528.db2.gz NCGMPCCSNYGMKT-IYBDPMFKSA-N 1 0 352.822 2.118 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CCN2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000922574320 683748317 /nfs/dbraw/zinc/74/83/17/683748317.db2.gz LGZUOYSPLDTZQC-LLVKDONJSA-N 1 0 363.336 2.338 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000930683992 683770228 /nfs/dbraw/zinc/77/02/28/683770228.db2.gz JPJHXOGPWHCBBS-UHFFFAOYSA-N 1 0 353.444 2.111 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000865652077 684010546 /nfs/dbraw/zinc/01/05/46/684010546.db2.gz OCGQQXZJMKZDPR-GFCCVEGCSA-N 1 0 354.428 2.379 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000866031210 684063402 /nfs/dbraw/zinc/06/34/02/684063402.db2.gz APSAIGKHRMXOQG-UHFFFAOYSA-N 1 0 350.419 2.417 20 5 FEBDRO C[NH+]1CCC2(CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000866052835 684066711 /nfs/dbraw/zinc/06/67/11/684066711.db2.gz NERIMWXEMFZKRU-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866832099 684163344 /nfs/dbraw/zinc/16/33/44/684163344.db2.gz YLXPJCJECFCUQY-OLZOCXBDSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000866866342 684170839 /nfs/dbraw/zinc/17/08/39/684170839.db2.gz NHYPETRKJCPWPK-AAEUAGOBSA-N 1 0 359.423 2.003 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000866985662 684191682 /nfs/dbraw/zinc/19/16/82/684191682.db2.gz KBRRPOSEHZSREH-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1F ZINC000867308883 684244154 /nfs/dbraw/zinc/24/41/54/684244154.db2.gz NVSZHCBPWVHGNK-MRXNPFEDSA-N 1 0 371.434 2.149 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1F ZINC000867354150 684256223 /nfs/dbraw/zinc/25/62/23/684256223.db2.gz VNPJRIPZTVSKOX-UHFFFAOYSA-N 1 0 361.439 2.441 20 5 FEBDRO COCCC1(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000868043543 684442995 /nfs/dbraw/zinc/44/29/95/684442995.db2.gz LNXYSLGEZZBWON-UHFFFAOYSA-N 1 0 373.812 2.205 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000872052532 684917506 /nfs/dbraw/zinc/91/75/06/684917506.db2.gz OJDJJTRWWMDWBL-VXGBXAGGSA-N 1 0 373.500 2.249 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000872645865 684995014 /nfs/dbraw/zinc/99/50/14/684995014.db2.gz VPKKYZGLFUEZJS-UHFFFAOYSA-N 1 0 372.267 2.462 20 5 FEBDRO Cc1c(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000873051288 685059467 /nfs/dbraw/zinc/05/94/67/685059467.db2.gz HHSPITBTJJTSTN-CQSZACIVSA-N 1 0 358.320 2.176 20 5 FEBDRO [NH3+]CC12CCC(CC1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000877189348 686337895 /nfs/dbraw/zinc/33/78/95/686337895.db2.gz MNVQWYKWCRWBSS-UHFFFAOYSA-N 1 0 368.231 2.382 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877363297 686364306 /nfs/dbraw/zinc/36/43/06/686364306.db2.gz OMWWJCSUMIVNJY-GZMMTYOYSA-N 1 0 351.712 2.457 20 5 FEBDRO COC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000877707400 686441678 /nfs/dbraw/zinc/44/16/78/686441678.db2.gz RWLVVUIQXWUYPA-QGZVFWFLSA-N 1 0 350.371 2.283 20 5 FEBDRO COCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879708236 686892617 /nfs/dbraw/zinc/89/26/17/686892617.db2.gz GXCQATJCFMLKLP-UHFFFAOYSA-N 1 0 371.821 2.314 20 5 FEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880035447 686980801 /nfs/dbraw/zinc/98/08/01/686980801.db2.gz CAXGPRNZBDCTGV-GFCCVEGCSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c1C ZINC000883478066 687642532 /nfs/dbraw/zinc/64/25/32/687642532.db2.gz VFBCRDRPNAGBQD-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c(Cl)c1 ZINC000883478440 687642649 /nfs/dbraw/zinc/64/26/49/687642649.db2.gz JMQZWVGROQFCPQ-UHFFFAOYSA-N 1 0 359.835 2.155 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000885454852 688076859 /nfs/dbraw/zinc/07/68/59/688076859.db2.gz BBAREIFBROSFHQ-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000888283079 688577143 /nfs/dbraw/zinc/57/71/43/688577143.db2.gz HSVAZLFNQPHFFH-UHFFFAOYSA-N 1 0 356.810 2.400 20 5 FEBDRO C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000893412586 689344349 /nfs/dbraw/zinc/34/43/49/689344349.db2.gz NPOZINGEOBSVIC-CXAGYDPISA-N 1 0 366.487 2.435 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220392 689990146 /nfs/dbraw/zinc/99/01/46/689990146.db2.gz AHYOLOKMHZEZCQ-STQMWFEESA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000900641543 690542390 /nfs/dbraw/zinc/54/23/90/690542390.db2.gz XGZUFSMBBFULJI-JTQLQIEISA-N 1 0 366.219 2.149 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900994348 690598240 /nfs/dbraw/zinc/59/82/40/690598240.db2.gz QCLYAUNQQAXGKF-LLVKDONJSA-N 1 0 361.801 2.474 20 5 FEBDRO CC(C)[NH+]1CCN(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000901019402 690601009 /nfs/dbraw/zinc/60/10/09/690601009.db2.gz ZJCLRBRGFXJJHW-UHFFFAOYSA-N 1 0 368.865 2.281 20 5 FEBDRO COc1cc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903166814 690859026 /nfs/dbraw/zinc/85/90/26/690859026.db2.gz DFUYYHUHBCMJNB-AWEZNQCLSA-N 1 0 350.463 2.280 20 5 FEBDRO C[NH+](C)C1(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000906698486 691303518 /nfs/dbraw/zinc/30/35/18/691303518.db2.gz VMYJWKMZHIVBKY-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO COc1ccc(CSCC(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000908009585 691597971 /nfs/dbraw/zinc/59/79/71/691597971.db2.gz GYYKKRMHQJEUEA-UHFFFAOYSA-N 1 0 353.444 2.045 20 5 FEBDRO Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164863155 721015972 /nfs/dbraw/zinc/01/59/72/721015972.db2.gz UBQCPHKFFBUIDY-ZDUSSCGKSA-N 1 0 359.434 2.311 20 5 FEBDRO Nc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164909329 721541630 /nfs/dbraw/zinc/54/16/30/721541630.db2.gz RMJSKYNZDCGVNW-DZGCQCFKSA-N 1 0 373.388 2.053 20 5 FEBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000472657775 887295785 /nfs/dbraw/zinc/29/57/85/887295785.db2.gz AMVBTLMPEDDOCW-CYBMUJFWSA-N 1 0 360.418 2.083 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000359872568 210194000 /nfs/dbraw/zinc/19/40/00/210194000.db2.gz OPYXUNYYBMUTKP-DLBZAZTESA-N 1 0 357.410 2.294 20 5 FEBDRO C[NH+](C)Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000023898679 539721804 /nfs/dbraw/zinc/72/18/04/539721804.db2.gz FHRHYBMVXAAURY-UHFFFAOYSA-N 1 0 370.409 2.415 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000026262624 539782035 /nfs/dbraw/zinc/78/20/35/539782035.db2.gz GVGWKAJSNJMKHL-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000029630473 539859255 /nfs/dbraw/zinc/85/92/55/539859255.db2.gz XNAQTAYNWLIRJP-GOSISDBHSA-N 1 0 357.410 2.157 20 5 FEBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000076267182 542251949 /nfs/dbraw/zinc/25/19/49/542251949.db2.gz PDISJXFBQKJDPM-CYBMUJFWSA-N 1 0 358.402 2.225 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441006 539939572 /nfs/dbraw/zinc/93/95/72/539939572.db2.gz SJQWTFCGUUNRHB-QWHCGFSZSA-N 1 0 371.459 2.145 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000041669658 540030114 /nfs/dbraw/zinc/03/01/14/540030114.db2.gz CDMOPNWGUBNQIB-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041716711 540030854 /nfs/dbraw/zinc/03/08/54/540030854.db2.gz VTDIIKGPDHBOQS-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041729101 540030871 /nfs/dbraw/zinc/03/08/71/540030871.db2.gz VJWSXTUNRBOIRJ-KBPBESRZSA-N 1 0 362.430 2.018 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000043821423 540110729 /nfs/dbraw/zinc/11/07/29/540110729.db2.gz OUFQMQYMUTXDEJ-INIZCTEOSA-N 1 0 364.446 2.093 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000045083394 540203304 /nfs/dbraw/zinc/20/33/04/540203304.db2.gz SPUQWQDQFUMLHY-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046878845 540274994 /nfs/dbraw/zinc/27/49/94/540274994.db2.gz UQAKYURZJDPGER-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047148628 540292469 /nfs/dbraw/zinc/29/24/69/540292469.db2.gz RVGBCMCXSPFEOD-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000048314814 540356738 /nfs/dbraw/zinc/35/67/38/540356738.db2.gz JGNSIHGCXUIQEG-CQSZACIVSA-N 1 0 360.414 2.163 20 5 FEBDRO Cc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000051677610 540440524 /nfs/dbraw/zinc/44/05/24/540440524.db2.gz MBCAFQICPSOWQZ-UHFFFAOYSA-N 1 0 356.430 2.317 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)c1ccsc1 ZINC000052877847 540497284 /nfs/dbraw/zinc/49/72/84/540497284.db2.gz OLRFMWIUEPSMQC-ZDUSSCGKSA-N 1 0 351.432 2.052 20 5 FEBDRO CCOc1cc(C(=O)NCC(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000053272518 540523256 /nfs/dbraw/zinc/52/32/56/540523256.db2.gz DJTZXBQCNOMIJW-UHFFFAOYSA-N 1 0 353.419 2.320 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000055280962 540642781 /nfs/dbraw/zinc/64/27/81/540642781.db2.gz MIPCESSMDSYHMV-GFCCVEGCSA-N 1 0 359.423 2.134 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000057700860 540809327 /nfs/dbraw/zinc/80/93/27/540809327.db2.gz JIYFTFPKSLAEAS-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000063693875 541179145 /nfs/dbraw/zinc/17/91/45/541179145.db2.gz REWDCSMPYJEKRZ-CYBMUJFWSA-N 1 0 365.430 2.462 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066395964 541313557 /nfs/dbraw/zinc/31/35/57/541313557.db2.gz MXNVENMBQGHZCA-NFBGWVBBSA-N 1 0 359.426 2.320 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133873 541421850 /nfs/dbraw/zinc/42/18/50/541421850.db2.gz NMVSTSYRXQMMRI-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO C[NH+](C)Cc1cccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000067136688 541422710 /nfs/dbraw/zinc/42/27/10/541422710.db2.gz WXCLRTXODYUYPS-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000067998376 541537266 /nfs/dbraw/zinc/53/72/66/541537266.db2.gz NTZUKTJTEVBPLT-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000068130366 541553305 /nfs/dbraw/zinc/55/33/05/541553305.db2.gz ZZXPISRHIRLPHR-UHFFFAOYSA-N 1 0 372.425 2.264 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000068790442 541628892 /nfs/dbraw/zinc/62/88/92/541628892.db2.gz QEWUYSTZZQESAU-KBPBESRZSA-N 1 0 365.430 2.361 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000068935510 541642113 /nfs/dbraw/zinc/64/21/13/541642113.db2.gz JGXDQLFENJVVDW-CQSZACIVSA-N 1 0 357.414 2.241 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069045980 541652540 /nfs/dbraw/zinc/65/25/40/541652540.db2.gz KMVRXPDXPOEATO-ZDUSSCGKSA-N 1 0 353.394 2.349 20 5 FEBDRO CN(C(=O)CN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000072718769 541856755 /nfs/dbraw/zinc/85/67/55/541856755.db2.gz ZNRQSNLKOIGKTH-INIZCTEOSA-N 1 0 360.458 2.365 20 5 FEBDRO COc1ccc(C[NH2+][C@H](C)C(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000073051782 541913952 /nfs/dbraw/zinc/91/39/52/541913952.db2.gz SYAVFGNSBGHUPF-GFCCVEGCSA-N 1 0 359.382 2.146 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000074138563 542042463 /nfs/dbraw/zinc/04/24/63/542042463.db2.gz YDIYXLASGPFCQZ-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO CCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000074290058 542064965 /nfs/dbraw/zinc/06/49/65/542064965.db2.gz COYHIKXUOPBDIP-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000075656586 542195815 /nfs/dbraw/zinc/19/58/15/542195815.db2.gz GEJJNWZPRPISEG-ZDUSSCGKSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000076329632 542261181 /nfs/dbraw/zinc/26/11/81/542261181.db2.gz FQNOYARBDBXPNO-HNNXBMFYSA-N 1 0 350.419 2.262 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC1([NH+](C)C)CCOCC1 ZINC000077224433 542355911 /nfs/dbraw/zinc/35/59/11/542355911.db2.gz SOECIVVJBILUFB-UHFFFAOYSA-N 1 0 369.393 2.433 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078576674 542468863 /nfs/dbraw/zinc/46/88/63/542468863.db2.gz NGVRLRWFBNOGRB-OAHLLOKOSA-N 1 0 371.441 2.480 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000078660469 542474921 /nfs/dbraw/zinc/47/49/21/542474921.db2.gz JSXMSNVJHDCXHN-GXTWGEPZSA-N 1 0 351.403 2.044 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000078737103 542478272 /nfs/dbraw/zinc/47/82/72/542478272.db2.gz WOBQPBGOVRZSTL-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000551700594 674158811 /nfs/dbraw/zinc/15/88/11/674158811.db2.gz ITMDEHUOBGFGAC-QGZVFWFLSA-N 1 0 351.472 2.426 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000081335215 542649798 /nfs/dbraw/zinc/64/97/98/542649798.db2.gz DTFGIYXEAMZUFW-ZDUSSCGKSA-N 1 0 363.414 2.170 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081631812 542669244 /nfs/dbraw/zinc/66/92/44/542669244.db2.gz JOPYIKFLKYLQNI-INIZCTEOSA-N 1 0 372.469 2.148 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000085545547 542729072 /nfs/dbraw/zinc/72/90/72/542729072.db2.gz OZWRCJWFWWCMEB-HZPDHXFCSA-N 1 0 362.430 2.356 20 5 FEBDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089924961 542773034 /nfs/dbraw/zinc/77/30/34/542773034.db2.gz ZWRYKGVFLCBYEC-QGZVFWFLSA-N 1 0 360.414 2.153 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000090910031 542788975 /nfs/dbraw/zinc/78/89/75/542788975.db2.gz HTYXZERLBQOTOQ-CYBMUJFWSA-N 1 0 363.439 2.396 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000092622410 542875753 /nfs/dbraw/zinc/87/57/53/542875753.db2.gz OYKHAYHEEDEBIS-UHFFFAOYSA-N 1 0 366.437 2.206 20 5 FEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439784 549333991 /nfs/dbraw/zinc/33/39/91/549333991.db2.gz WNOGLJFNWWAWGF-DOTOQJQBSA-N 1 0 374.441 2.023 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000097251469 543008380 /nfs/dbraw/zinc/00/83/80/543008380.db2.gz ZIAQPPVDGRBQPI-CYBMUJFWSA-N 1 0 361.427 2.399 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000098096913 543020293 /nfs/dbraw/zinc/02/02/93/543020293.db2.gz XINBMUCOSNXDSM-GFCCVEGCSA-N 1 0 363.443 2.265 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000106086020 543193361 /nfs/dbraw/zinc/19/33/61/543193361.db2.gz QJFZYSVQLGSTFA-INIZCTEOSA-N 1 0 357.414 2.364 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891111 543252827 /nfs/dbraw/zinc/25/28/27/543252827.db2.gz SDPMXBFWOFXTQW-LLVKDONJSA-N 1 0 357.407 2.029 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891734 543253066 /nfs/dbraw/zinc/25/30/66/543253066.db2.gz OYPJUGYCFZZGIJ-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO Cn1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108342249 543286709 /nfs/dbraw/zinc/28/67/09/543286709.db2.gz UXIHQHDRDZHMSF-CYBMUJFWSA-N 1 0 357.414 2.067 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108341968 543287211 /nfs/dbraw/zinc/28/72/11/543287211.db2.gz PMGUUJQUDAUIOW-NWDGAFQWSA-N 1 0 355.822 2.474 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751218 543336010 /nfs/dbraw/zinc/33/60/10/543336010.db2.gz UONASYNDYQMCIK-SFHVURJKSA-N 1 0 362.474 2.076 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000109986184 543345687 /nfs/dbraw/zinc/34/56/87/543345687.db2.gz MWKCHWVNIGDFBR-OLZOCXBDSA-N 1 0 372.425 2.287 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109966780 543345275 /nfs/dbraw/zinc/34/52/75/543345275.db2.gz XFUWIILZSMJUQK-QGZVFWFLSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000112914772 543467808 /nfs/dbraw/zinc/46/78/08/543467808.db2.gz XGOFYANNHDRBDI-INIZCTEOSA-N 1 0 368.865 2.250 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113305916 543483788 /nfs/dbraw/zinc/48/37/88/543483788.db2.gz KEPYHBMIPFFWNH-JSGCOSHPSA-N 1 0 353.444 2.069 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC000116922434 543619987 /nfs/dbraw/zinc/61/99/87/543619987.db2.gz XKKJBRUVFKYEKH-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000122788663 543723772 /nfs/dbraw/zinc/72/37/72/543723772.db2.gz KJZLGYXNMJEVSP-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000124407269 543819583 /nfs/dbraw/zinc/81/95/83/543819583.db2.gz OWVNHCURBOAARH-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125456681 543882397 /nfs/dbraw/zinc/88/23/97/543882397.db2.gz GFKNPQFTOAMHAE-INIZCTEOSA-N 1 0 371.441 2.313 20 5 FEBDRO C[NH+]1CCN([C@H]2CCCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000127049059 543970241 /nfs/dbraw/zinc/97/02/41/543970241.db2.gz JTAQMBMQAKTCHV-HNNXBMFYSA-N 1 0 363.418 2.109 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128847308 544076734 /nfs/dbraw/zinc/07/67/34/544076734.db2.gz UKBYTIJNLCKKLP-ZDUSSCGKSA-N 1 0 365.283 2.062 20 5 FEBDRO Cc1c(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000128165224 544036456 /nfs/dbraw/zinc/03/64/56/544036456.db2.gz JWOTXKOIXFTUBV-UHFFFAOYSA-N 1 0 363.458 2.405 20 5 FEBDRO O=C1[C@H](N2CCC(O)(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000128341295 544047255 /nfs/dbraw/zinc/04/72/55/544047255.db2.gz ZTYOMPRVSZTPLM-CYBMUJFWSA-N 1 0 373.331 2.089 20 5 FEBDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488466 544153203 /nfs/dbraw/zinc/15/32/03/544153203.db2.gz LXFSJRRBVDWABF-KRWDZBQOSA-N 1 0 357.414 2.227 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131634592 544199327 /nfs/dbraw/zinc/19/93/27/544199327.db2.gz ZSFYLPIQLYBZKR-OAHLLOKOSA-N 1 0 350.415 2.491 20 5 FEBDRO CSc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000133979423 544290235 /nfs/dbraw/zinc/29/02/35/544290235.db2.gz UTPIFIDQDSRTMK-CQSZACIVSA-N 1 0 367.471 2.283 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000134913994 544327068 /nfs/dbraw/zinc/32/70/68/544327068.db2.gz GZQVPKQFSQVAIT-HOCLYGCPSA-N 1 0 371.441 2.306 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452937 544347565 /nfs/dbraw/zinc/34/75/65/544347565.db2.gz WIDZTIIFAUBGKF-HZPDHXFCSA-N 1 0 358.398 2.070 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136070384 544366184 /nfs/dbraw/zinc/36/61/84/544366184.db2.gz COCLAZXLQVUUAB-CYBMUJFWSA-N 1 0 357.414 2.480 20 5 FEBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000136220158 544369333 /nfs/dbraw/zinc/36/93/33/544369333.db2.gz XHMYZPSPQPSRCR-KRWDZBQOSA-N 1 0 360.414 2.153 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502606 544391158 /nfs/dbraw/zinc/39/11/58/544391158.db2.gz CPHDPUYWFPKIOT-DOMZBBRYSA-N 1 0 357.414 2.030 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C[NH+]1CCCC1 ZINC000136516756 544374163 /nfs/dbraw/zinc/37/41/63/544374163.db2.gz AGYZKSSQELOPRF-ZDUSSCGKSA-N 1 0 367.471 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000146612277 544440274 /nfs/dbraw/zinc/44/02/74/544440274.db2.gz KXRXRRBKPVTGFO-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000146822982 544442260 /nfs/dbraw/zinc/44/22/60/544442260.db2.gz CWIZSBNPUNRIPL-VXGBXAGGSA-N 1 0 359.835 2.153 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150791784 544472477 /nfs/dbraw/zinc/47/24/77/544472477.db2.gz PCIOPJQWRDBUGC-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000150816179 544475608 /nfs/dbraw/zinc/47/56/08/544475608.db2.gz RTTHEEOJUOOQRC-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152489015 544660659 /nfs/dbraw/zinc/66/06/59/544660659.db2.gz LTVPPNBPBMHRIL-NHYWBVRUSA-N 1 0 350.444 2.197 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153048114 544727300 /nfs/dbraw/zinc/72/73/00/544727300.db2.gz PCRFFJRSWLJBGQ-FRRDWIJNSA-N 1 0 351.403 2.166 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152916337 544710640 /nfs/dbraw/zinc/71/06/40/544710640.db2.gz SPIXQLNHFIBVCX-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000553675786 674278691 /nfs/dbraw/zinc/27/86/91/674278691.db2.gz VFJGWWRHMCNNDC-STQMWFEESA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000553675785 674278723 /nfs/dbraw/zinc/27/87/23/674278723.db2.gz VFJGWWRHMCNNDC-QWHCGFSZSA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000180120100 327672387 /nfs/dbraw/zinc/67/23/87/327672387.db2.gz KSHITIAFSKEYGA-CYBMUJFWSA-N 1 0 357.476 2.033 20 5 FEBDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000180354598 327682482 /nfs/dbraw/zinc/68/24/82/327682482.db2.gz MDBAOVXLOLVZAO-UHFFFAOYSA-N 1 0 371.440 2.196 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000180538869 327689959 /nfs/dbraw/zinc/68/99/59/327689959.db2.gz JPTVNODSUDEANW-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000180960372 327709998 /nfs/dbraw/zinc/70/99/98/327709998.db2.gz ANXPYCLKDGMPHP-SWLSCSKDSA-N 1 0 373.413 2.183 20 5 FEBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC([NH+]2CCCC2)CC1 ZINC000183007148 327797456 /nfs/dbraw/zinc/79/74/56/327797456.db2.gz AOZBFUIQYVCOHZ-GOSISDBHSA-N 1 0 372.425 2.175 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@@H]12 ZINC000185105619 327899811 /nfs/dbraw/zinc/89/98/11/327899811.db2.gz KWTKUUJCTXTFDB-KBRIMQKVSA-N 1 0 358.442 2.394 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000185905345 327938301 /nfs/dbraw/zinc/93/83/01/327938301.db2.gz XXCRBYVEMMPBOM-UHFFFAOYSA-N 1 0 353.444 2.280 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000186987393 327995556 /nfs/dbraw/zinc/99/55/56/327995556.db2.gz OLAOCLIGTHBLRW-UHFFFAOYSA-N 1 0 350.375 2.368 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187118728 328003127 /nfs/dbraw/zinc/00/31/27/328003127.db2.gz GYNWWBIFKNPQKO-CQSZACIVSA-N 1 0 370.409 2.432 20 5 FEBDRO CSc1cccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000187095158 328001991 /nfs/dbraw/zinc/00/19/91/328001991.db2.gz HHYQGEIREKUGDP-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023906 328060950 /nfs/dbraw/zinc/06/09/50/328060950.db2.gz BSFQBLSDCBQJBX-SJKOYZFVSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189276775 328138709 /nfs/dbraw/zinc/13/87/09/328138709.db2.gz JCWAGBWQBWIZIU-LRDDRELGSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000191413973 328264582 /nfs/dbraw/zinc/26/45/82/328264582.db2.gz UKGXNPNYGAXQOB-OAHLLOKOSA-N 1 0 363.462 2.359 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000192697566 328333855 /nfs/dbraw/zinc/33/38/55/328333855.db2.gz YXSACXBQKPDJCJ-CABCVRRESA-N 1 0 351.451 2.299 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC2CCC2)c([N+](=O)[O-])c1 ZINC000192807483 328340928 /nfs/dbraw/zinc/34/09/28/328340928.db2.gz GQSLEMYSGSOFMH-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193105586 328357510 /nfs/dbraw/zinc/35/75/10/328357510.db2.gz SDHSGHFQWPWMNP-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000193689470 328389810 /nfs/dbraw/zinc/38/98/10/328389810.db2.gz CMHUYOGERVBHPS-HNNXBMFYSA-N 1 0 351.790 2.387 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193918302 328401884 /nfs/dbraw/zinc/40/18/84/328401884.db2.gz WIFQKKYMCNPTRX-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000087005572 325269452 /nfs/dbraw/zinc/26/94/52/325269452.db2.gz BOYSMGJHBBLBPZ-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO [NH3+][C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000237841341 328531048 /nfs/dbraw/zinc/53/10/48/328531048.db2.gz CJWHOPPXTVDORX-GOSISDBHSA-N 1 0 354.410 2.334 20 5 FEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000090170682 325355823 /nfs/dbraw/zinc/35/58/23/325355823.db2.gz YMXZVHXUXNCBBD-DZGCQCFKSA-N 1 0 357.414 2.401 20 5 FEBDRO [NH3+]C1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237855922 328531566 /nfs/dbraw/zinc/53/15/66/328531566.db2.gz DZYQBRRLKRFNEB-UHFFFAOYSA-N 1 0 356.220 2.286 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093191591 325437407 /nfs/dbraw/zinc/43/74/07/325437407.db2.gz CVRYRUCVKZAUEI-UHFFFAOYSA-N 1 0 370.409 2.401 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000116361627 326009341 /nfs/dbraw/zinc/00/93/41/326009341.db2.gz RAMIIVRAUNOQMZ-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117790595 326071172 /nfs/dbraw/zinc/07/11/72/326071172.db2.gz CNPQNEROZPSQSY-AWEZNQCLSA-N 1 0 355.822 2.018 20 5 FEBDRO CCCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000118494321 326091697 /nfs/dbraw/zinc/09/16/97/326091697.db2.gz JKUKMXDFNAVFRE-UHFFFAOYSA-N 1 0 361.402 2.463 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842887 326107712 /nfs/dbraw/zinc/10/77/12/326107712.db2.gz KVAHPRHGAYZBJG-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000118859899 326108933 /nfs/dbraw/zinc/10/89/33/326108933.db2.gz MIEDGACNLRQITE-OAHLLOKOSA-N 1 0 372.429 2.246 20 5 FEBDRO C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000119610339 326180651 /nfs/dbraw/zinc/18/06/51/326180651.db2.gz QRUNLDMKFLTMOR-ZDUSSCGKSA-N 1 0 351.451 2.282 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000120041130 326224724 /nfs/dbraw/zinc/22/47/24/326224724.db2.gz PTTOTTYHZVESIS-UHFFFAOYSA-N 1 0 372.425 2.287 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120863552 326294371 /nfs/dbraw/zinc/29/43/71/326294371.db2.gz SNBPUIWIOPPKRE-DYVFJYSZSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1c(CC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000121886413 326373989 /nfs/dbraw/zinc/37/39/89/326373989.db2.gz ZFCOMQMGOVHXCT-CQSZACIVSA-N 1 0 361.442 2.157 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000122849261 326411528 /nfs/dbraw/zinc/41/15/28/326411528.db2.gz KHVIFWVRSOVGLD-INIZCTEOSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000125038643 326464439 /nfs/dbraw/zinc/46/44/39/326464439.db2.gz QXQLYQTUHUZNSY-CQSZACIVSA-N 1 0 360.389 2.219 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000126872035 326496572 /nfs/dbraw/zinc/49/65/72/326496572.db2.gz GRSXDXFVWURMIK-AWEZNQCLSA-N 1 0 359.382 2.148 20 5 FEBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000127851367 326513697 /nfs/dbraw/zinc/51/36/97/326513697.db2.gz RBLCVSHGQMAZNE-LBPRGKRZSA-N 1 0 357.366 2.487 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000128039642 326516900 /nfs/dbraw/zinc/51/69/00/326516900.db2.gz PGCKSIYOXKGKKL-ZDUSSCGKSA-N 1 0 363.439 2.444 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000130958382 326566408 /nfs/dbraw/zinc/56/64/08/326566408.db2.gz CDLQXDNTDYEQCN-UHFFFAOYSA-N 1 0 354.370 2.153 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313704 326572404 /nfs/dbraw/zinc/57/24/04/326572404.db2.gz QYCMHZNKDAJQPT-GAFUQQFSSA-N 1 0 368.821 2.209 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000134370290 326624558 /nfs/dbraw/zinc/62/45/58/326624558.db2.gz PMNWCXBORZUALQ-SJORKVTESA-N 1 0 362.430 2.484 20 5 FEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000134987433 326634558 /nfs/dbraw/zinc/63/45/58/326634558.db2.gz VCGUGJOUGVIUAJ-KBPBESRZSA-N 1 0 360.458 2.463 20 5 FEBDRO C[NH+](C)CCOc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000135522487 326643205 /nfs/dbraw/zinc/64/32/05/326643205.db2.gz LPIBAXHMRLTKAF-UHFFFAOYSA-N 1 0 359.386 2.252 20 5 FEBDRO C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C[NH+]1CCCC1 ZINC000136799909 326655527 /nfs/dbraw/zinc/65/55/27/326655527.db2.gz SHYWOLMXQQMTLI-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1nc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000156928777 326848931 /nfs/dbraw/zinc/84/89/31/326848931.db2.gz HRSJEVGHCLCTDL-UHFFFAOYSA-N 1 0 359.386 2.494 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000160341654 326962262 /nfs/dbraw/zinc/96/22/62/326962262.db2.gz ONTICDAZGKZWIZ-ZWKOTPCHSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000162589675 327029165 /nfs/dbraw/zinc/02/91/65/327029165.db2.gz HPWSWLKDKHAUON-UHFFFAOYSA-N 1 0 363.462 2.393 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000171013815 327112424 /nfs/dbraw/zinc/11/24/24/327112424.db2.gz JUHHYDMCJRJJNE-UHFFFAOYSA-N 1 0 359.430 2.361 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172140795 327183474 /nfs/dbraw/zinc/18/34/74/327183474.db2.gz HHNTVWJBZDEGML-CYBMUJFWSA-N 1 0 350.419 2.087 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460026 327202827 /nfs/dbraw/zinc/20/28/27/327202827.db2.gz JYBCULKVSPXBEF-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CN1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000172755161 327217189 /nfs/dbraw/zinc/21/71/89/327217189.db2.gz GLQLNDOUGUDZGA-UHFFFAOYSA-N 1 0 360.458 2.275 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000172832487 327221409 /nfs/dbraw/zinc/22/14/09/327221409.db2.gz JVFMUWBQAPNJLW-HNNXBMFYSA-N 1 0 363.414 2.328 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000173023144 327230961 /nfs/dbraw/zinc/23/09/61/327230961.db2.gz KMOHVTYGQLGCJN-SNVBAGLBSA-N 1 0 359.835 2.011 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000173208219 327241386 /nfs/dbraw/zinc/24/13/86/327241386.db2.gz TYRZRXJDARBJKQ-AWEZNQCLSA-N 1 0 370.409 2.432 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173830094 327287399 /nfs/dbraw/zinc/28/73/99/327287399.db2.gz LGKKFYTUJMGATM-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO CC(C)[NH+](CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C(C)C ZINC000173919457 327294641 /nfs/dbraw/zinc/29/46/41/327294641.db2.gz WAIGAIKHNOWSNJ-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173921397 327294645 /nfs/dbraw/zinc/29/46/45/327294645.db2.gz BCIDBHZBZFCJQN-OAHLLOKOSA-N 1 0 355.460 2.088 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173922107 327294668 /nfs/dbraw/zinc/29/46/68/327294668.db2.gz XDCRCTMADXKQKS-LBPRGKRZSA-N 1 0 359.423 2.086 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174027424 327302460 /nfs/dbraw/zinc/30/24/60/327302460.db2.gz GQANGJZVLRHECZ-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718332 327345231 /nfs/dbraw/zinc/34/52/31/327345231.db2.gz UFDOBDYYTPUNDW-MFKMUULPSA-N 1 0 356.329 2.104 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000175034391 327369629 /nfs/dbraw/zinc/36/96/29/327369629.db2.gz JPTKEIWYNHMEHL-ZIAGYGMSSA-N 1 0 363.414 2.067 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000175213293 327380353 /nfs/dbraw/zinc/38/03/53/327380353.db2.gz GVWRBQUKTCFSIK-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO O=C(Nc1ccccc1)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176216552 327441323 /nfs/dbraw/zinc/44/13/23/327441323.db2.gz GQGZYRWZAJOLMT-UHFFFAOYSA-N 1 0 358.402 2.077 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000177460066 327524127 /nfs/dbraw/zinc/52/41/27/327524127.db2.gz FURFSIRWRZCTAZ-VXGBXAGGSA-N 1 0 358.398 2.039 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000178404287 327582795 /nfs/dbraw/zinc/58/27/95/327582795.db2.gz OKABGLOSCMXEQZ-IAGOWNOFSA-N 1 0 362.430 2.484 20 5 FEBDRO COc1cc(CCNC(=O)C[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178807735 327608056 /nfs/dbraw/zinc/60/80/56/327608056.db2.gz OSJMYFNXIUFHIX-HNNXBMFYSA-N 1 0 373.409 2.361 20 5 FEBDRO Cc1c(C(=O)NCCC[NH+]2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000253599235 328800377 /nfs/dbraw/zinc/80/03/77/328800377.db2.gz FNUDGBVEPXULCT-UHFFFAOYSA-N 1 0 372.429 2.090 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261637175 328807347 /nfs/dbraw/zinc/80/73/47/328807347.db2.gz ALJLFNFGDUYAIN-PHIMTYICSA-N 1 0 368.231 2.429 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ncccc3[N+](=O)[O-])c2)C1 ZINC000264459103 329025540 /nfs/dbraw/zinc/02/55/40/329025540.db2.gz JUHLLNLMYOCBTP-MRXNPFEDSA-N 1 0 369.425 2.299 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ncccc3[N+](=O)[O-])c2)C1 ZINC000264459100 329025681 /nfs/dbraw/zinc/02/56/81/329025681.db2.gz JUHLLNLMYOCBTP-INIZCTEOSA-N 1 0 369.425 2.299 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264649034 329044305 /nfs/dbraw/zinc/04/43/05/329044305.db2.gz WSKUBOAFUKXBPF-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)C[NH+]3CCCC3)cs2)c1 ZINC000264990669 329081315 /nfs/dbraw/zinc/08/13/15/329081315.db2.gz WWLOKFMPEIEXFI-MRXNPFEDSA-N 1 0 362.455 2.265 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CCC(=O)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000265146191 329096194 /nfs/dbraw/zinc/09/61/94/329096194.db2.gz NGNUCYVWBOJWMK-UHFFFAOYSA-N 1 0 367.402 2.206 20 5 FEBDRO CCCCC[N@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265512231 329134710 /nfs/dbraw/zinc/13/47/10/329134710.db2.gz RHAYWWRKJMPSGL-UHFFFAOYSA-N 1 0 353.419 2.417 20 5 FEBDRO CC[NH+]1CCC(N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000266077964 329188090 /nfs/dbraw/zinc/18/80/90/329188090.db2.gz DBWLVOJQPKOYAI-LBPRGKRZSA-N 1 0 350.419 2.004 20 5 FEBDRO COc1ccc2cc(C[N@H+](C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266454077 329224556 /nfs/dbraw/zinc/22/45/56/329224556.db2.gz OXORMEQHACCWTD-SFHVURJKSA-N 1 0 370.409 2.446 20 5 FEBDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000266467443 329226168 /nfs/dbraw/zinc/22/61/68/329226168.db2.gz JXHBYOOZKUYFAE-UHFFFAOYSA-N 1 0 373.413 2.326 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000269279473 329503267 /nfs/dbraw/zinc/50/32/67/329503267.db2.gz PLRMURMGUOSQEN-UHFFFAOYSA-N 1 0 374.235 2.008 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC000269405238 329516460 /nfs/dbraw/zinc/51/64/60/329516460.db2.gz FQGGXEFMWBMOAL-KRWDZBQOSA-N 1 0 369.425 2.311 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269505872 329526616 /nfs/dbraw/zinc/52/66/16/329526616.db2.gz YZFLPRNPBHRVOK-VIFPVBQESA-N 1 0 369.365 2.232 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000270779538 329630985 /nfs/dbraw/zinc/63/09/85/329630985.db2.gz HCKASYWZOLOEPD-UHFFFAOYSA-N 1 0 367.402 2.111 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000272528832 329788790 /nfs/dbraw/zinc/78/87/90/329788790.db2.gz MMDVYPOPZGDNLX-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1ccc(OCC[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000272970234 329827323 /nfs/dbraw/zinc/82/73/23/329827323.db2.gz CAYNZLSQBPLOBJ-OAHLLOKOSA-N 1 0 350.346 2.445 20 5 FEBDRO COCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273308416 329854528 /nfs/dbraw/zinc/85/45/28/329854528.db2.gz TUXICYZIBCTGOZ-KBPBESRZSA-N 1 0 350.371 2.295 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000274120953 329917426 /nfs/dbraw/zinc/91/74/26/329917426.db2.gz WZKUUKKXFAIMJW-NEPJUHHUSA-N 1 0 367.402 2.109 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000276109073 330120243 /nfs/dbraw/zinc/12/02/43/330120243.db2.gz VMWZVQRJUUVMNO-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO CC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199956 330229229 /nfs/dbraw/zinc/22/92/29/330229229.db2.gz FOEQURCXUXNGAB-YOEHRIQHSA-N 1 0 360.458 2.260 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000411390703 330257297 /nfs/dbraw/zinc/25/72/97/330257297.db2.gz ARCOFNQLPFOQIT-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156547869 545635027 /nfs/dbraw/zinc/63/50/27/545635027.db2.gz SGAHHYFCFUHKHK-ZVZYQTTQSA-N 1 0 360.414 2.114 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000157215787 545715214 /nfs/dbraw/zinc/71/52/14/545715214.db2.gz PCYWOXDGUGRRIG-UHFFFAOYSA-N 1 0 357.410 2.433 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000477634404 561149916 /nfs/dbraw/zinc/14/99/16/561149916.db2.gz IIJLOKMKSYJEDH-UHFFFAOYSA-N 1 0 365.455 2.215 20 5 FEBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000477633355 561149922 /nfs/dbraw/zinc/14/99/22/561149922.db2.gz LNWXTTWKVHRXOE-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO COC(=O)c1cnc(NCC2([NH+](C)C)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000477731502 561152175 /nfs/dbraw/zinc/15/21/75/561152175.db2.gz ONKLQRKGVDGGDY-UHFFFAOYSA-N 1 0 370.409 2.288 20 5 FEBDRO COc1ccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000478066183 561159483 /nfs/dbraw/zinc/15/94/83/561159483.db2.gz XLDDJGIZDQEJAH-UHFFFAOYSA-N 1 0 360.370 2.191 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000161126456 546102893 /nfs/dbraw/zinc/10/28/93/546102893.db2.gz OZJACOMEQACDJQ-BDAKNGLRSA-N 1 0 359.329 2.205 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172463108 546253279 /nfs/dbraw/zinc/25/32/79/546253279.db2.gz KJSUTWMOGLJNBX-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO COc1cccc([C@@H](C)[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176230628 546422053 /nfs/dbraw/zinc/42/20/53/546422053.db2.gz RSMNMWGDVYFHLG-OAHLLOKOSA-N 1 0 359.430 2.179 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000176484341 546452734 /nfs/dbraw/zinc/45/27/34/546452734.db2.gz ITYGXUMIUVXINQ-OAHLLOKOSA-N 1 0 368.865 2.250 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176490027 546453734 /nfs/dbraw/zinc/45/37/34/546453734.db2.gz JFWMKWNTLXBGPR-UHFFFAOYSA-N 1 0 368.865 2.346 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@@H+]1C1CC1 ZINC000177142607 546553103 /nfs/dbraw/zinc/55/31/03/546553103.db2.gz KTDXFAVYKSMJFE-OLZOCXBDSA-N 1 0 355.398 2.136 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000480946807 561220794 /nfs/dbraw/zinc/22/07/94/561220794.db2.gz BXBBNOFNBBCXKD-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000178263334 546766149 /nfs/dbraw/zinc/76/61/49/546766149.db2.gz NLAXBDBFTZPPEV-CYBMUJFWSA-N 1 0 355.460 2.225 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCC[C@@H]1O ZINC000481357930 561231461 /nfs/dbraw/zinc/23/14/61/561231461.db2.gz HDPXDMUSPLKSNS-BBRMVZONSA-N 1 0 363.414 2.376 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000179760384 547009276 /nfs/dbraw/zinc/00/92/76/547009276.db2.gz MSJCKVAOQVZHMX-ZDUSSCGKSA-N 1 0 370.409 2.456 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000482367634 561253129 /nfs/dbraw/zinc/25/31/29/561253129.db2.gz DOUKUBNPYBBLSJ-UHFFFAOYSA-N 1 0 372.381 2.004 20 5 FEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180504360 547120532 /nfs/dbraw/zinc/12/05/32/547120532.db2.gz PMVXXTJPKJTXMV-UHFFFAOYSA-N 1 0 357.414 2.344 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000180582677 547135815 /nfs/dbraw/zinc/13/58/15/547135815.db2.gz SWMKGGBHGAPCJF-DZGCQCFKSA-N 1 0 369.425 2.355 20 5 FEBDRO O=C(CC[NH+]1CCC(O[C@@H]2CCOC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000483018975 561265200 /nfs/dbraw/zinc/26/52/00/561265200.db2.gz LTUYKHYYEUMYRI-QGZVFWFLSA-N 1 0 363.414 2.193 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000181349608 547299013 /nfs/dbraw/zinc/29/90/13/547299013.db2.gz ZBNNRJIMPBSJKM-DOMZBBRYSA-N 1 0 373.409 2.412 20 5 FEBDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277040 561272832 /nfs/dbraw/zinc/27/28/32/561272832.db2.gz IMHLIZNBIYTTFS-BBRMVZONSA-N 1 0 361.398 2.264 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181520128 547328088 /nfs/dbraw/zinc/32/80/88/547328088.db2.gz NEOCUFQEQRGEMI-ICSRJNTNSA-N 1 0 372.421 2.278 20 5 FEBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656337 547353972 /nfs/dbraw/zinc/35/39/72/547353972.db2.gz LRABHPPYRNJZLC-CZUORRHYSA-N 1 0 354.357 2.417 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182007262 547420594 /nfs/dbraw/zinc/42/05/94/547420594.db2.gz LXXPKNFYIBJITC-INIZCTEOSA-N 1 0 362.430 2.256 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000483727023 561282796 /nfs/dbraw/zinc/28/27/96/561282796.db2.gz NFHQUTCFCMZTPH-PEYYIBSZSA-N 1 0 351.403 2.478 20 5 FEBDRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000183341734 547641545 /nfs/dbraw/zinc/64/15/45/547641545.db2.gz IAKOCUKNMVNGLD-DZGCQCFKSA-N 1 0 367.421 2.191 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183434240 547658861 /nfs/dbraw/zinc/65/88/61/547658861.db2.gz VGFMGVSLBKLFER-NSHDSACASA-N 1 0 361.402 2.325 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183567666 547682521 /nfs/dbraw/zinc/68/25/21/547682521.db2.gz SBADKYXGSGFNMQ-ZFWWWQNUSA-N 1 0 370.413 2.417 20 5 FEBDRO O=C(NCC1([NH+]2CCSCC2)CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183639781 547693477 /nfs/dbraw/zinc/69/34/77/547693477.db2.gz NHTJFPHQRHVBMC-UHFFFAOYSA-N 1 0 365.459 2.473 20 5 FEBDRO COc1cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1C ZINC000484641147 561302014 /nfs/dbraw/zinc/30/20/14/561302014.db2.gz APDBAVQXJWIBQL-UHFFFAOYSA-N 1 0 374.397 2.500 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000484897802 561308145 /nfs/dbraw/zinc/30/81/45/561308145.db2.gz AGGAEHOWFNXJSN-INMHGKMJSA-N 1 0 352.431 2.472 20 5 FEBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000485074779 561312030 /nfs/dbraw/zinc/31/20/30/561312030.db2.gz DNHSLZKPROHKQP-OAHLLOKOSA-N 1 0 369.377 2.328 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000485941606 561332894 /nfs/dbraw/zinc/33/28/94/561332894.db2.gz BKCSXPVSHUDZFG-GFCCVEGCSA-N 1 0 365.455 2.300 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000186924724 548220825 /nfs/dbraw/zinc/22/08/25/548220825.db2.gz KBQSZIIIMHKRRL-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO CC1CC[NH+]([C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000194608391 548504805 /nfs/dbraw/zinc/50/48/05/548504805.db2.gz XJRHTTFSMHHGEV-GOSISDBHSA-N 1 0 371.441 2.381 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237155886 548804876 /nfs/dbraw/zinc/80/48/76/548804876.db2.gz MTQDPTSHXATQRJ-VIFPVBQESA-N 1 0 368.242 2.274 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237214410 548808682 /nfs/dbraw/zinc/80/86/82/548808682.db2.gz HIZCDBIRLIULRE-CYBMUJFWSA-N 1 0 353.444 2.176 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000237215030 548809304 /nfs/dbraw/zinc/80/93/04/548809304.db2.gz JILQLAKZTQCVJP-VXGBXAGGSA-N 1 0 353.444 2.045 20 5 FEBDRO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238017586 548872987 /nfs/dbraw/zinc/87/29/87/548872987.db2.gz LTCYDKUHWMELIS-IBGZPJMESA-N 1 0 366.421 2.130 20 5 FEBDRO [NH3+]C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000238062880 548876036 /nfs/dbraw/zinc/87/60/36/548876036.db2.gz YGIGWCKCHPHOML-JTQLQIEISA-N 1 0 356.220 2.097 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000246719427 549195690 /nfs/dbraw/zinc/19/56/90/549195690.db2.gz KGVADHMQVPDBQZ-GJZGRUSLSA-N 1 0 374.441 2.175 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246767241 549208040 /nfs/dbraw/zinc/20/80/40/549208040.db2.gz LUHUEZHOGXYTCS-MAUKXSAKSA-N 1 0 363.458 2.391 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000246890506 549236812 /nfs/dbraw/zinc/23/68/12/549236812.db2.gz MANYGCVNZMMOLW-JLSDUUJJSA-N 1 0 358.442 2.116 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000489309949 561407691 /nfs/dbraw/zinc/40/76/91/561407691.db2.gz BMQLLNCTWGHKPH-MRXNPFEDSA-N 1 0 372.425 2.320 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000248448366 549439932 /nfs/dbraw/zinc/43/99/32/549439932.db2.gz HSMCAPJDWXURBG-MSOLQXFVSA-N 1 0 372.421 2.278 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000248452841 549440798 /nfs/dbraw/zinc/44/07/98/549440798.db2.gz JUQJNNLSBQFNIE-HLLBOEOZSA-N 1 0 360.414 2.114 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@H]1C ZINC000489395452 561409822 /nfs/dbraw/zinc/40/98/22/561409822.db2.gz CTWVZFUNRSBULI-WMLDXEAASA-N 1 0 365.430 2.358 20 5 FEBDRO C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248548910 549456154 /nfs/dbraw/zinc/45/61/54/549456154.db2.gz FTAFYWRLRYWXIQ-HZSPNIEDSA-N 1 0 367.421 2.453 20 5 FEBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000489508991 561413087 /nfs/dbraw/zinc/41/30/87/561413087.db2.gz KMNQJXNAQOGCBV-ZFWWWQNUSA-N 1 0 354.403 2.108 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000489802842 561419371 /nfs/dbraw/zinc/41/93/71/561419371.db2.gz SULCTPKTJOKQJZ-CYBMUJFWSA-N 1 0 361.398 2.127 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250706843 549643544 /nfs/dbraw/zinc/64/35/44/549643544.db2.gz ZTYJAKLJENDVCX-OCCSQVGLSA-N 1 0 362.430 2.078 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000252656436 549675794 /nfs/dbraw/zinc/67/57/94/549675794.db2.gz GJSCUXJNEYMIQI-HOTGVXAUSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000261629630 549736210 /nfs/dbraw/zinc/73/62/10/549736210.db2.gz DTGOCKOBNORMET-SFHVURJKSA-N 1 0 369.425 2.273 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261666427 549740366 /nfs/dbraw/zinc/74/03/66/549740366.db2.gz HILXBRGDXRSFST-JEBQAFNWSA-N 1 0 354.410 2.349 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@H]3c3cccnc3)n2)c1 ZINC000261783383 549754825 /nfs/dbraw/zinc/75/48/25/549754825.db2.gz PQLKLWKIGXTUHH-INIZCTEOSA-N 1 0 366.381 2.186 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261995667 549778026 /nfs/dbraw/zinc/77/80/26/549778026.db2.gz UBFRXHMWUXVFPQ-CQSZACIVSA-N 1 0 357.414 2.056 20 5 FEBDRO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262448474 549820488 /nfs/dbraw/zinc/82/04/88/549820488.db2.gz ZFPVNGPWNIYUNH-UHFFFAOYSA-N 1 0 364.793 2.096 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639387 549834161 /nfs/dbraw/zinc/83/41/61/549834161.db2.gz PUAUVTSSQVCWDI-UHTWSYAYSA-N 1 0 353.806 2.368 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263978706 549962767 /nfs/dbraw/zinc/96/27/67/549962767.db2.gz AJXMZKJMOACFQG-CYBMUJFWSA-N 1 0 351.407 2.189 20 5 FEBDRO COc1cc(CN2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491091729 561442923 /nfs/dbraw/zinc/44/29/23/561442923.db2.gz RPUAOJJWBCOOSK-UHFFFAOYSA-N 1 0 359.373 2.431 20 5 FEBDRO COC(=O)c1cc(NC2CCN(CC[NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268486356 550074813 /nfs/dbraw/zinc/07/48/13/550074813.db2.gz MSBUSIZOVRGYNE-UHFFFAOYSA-N 1 0 364.446 2.128 20 5 FEBDRO COc1cc(C[NH2+]CCn2cccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000492212471 561450248 /nfs/dbraw/zinc/45/02/48/561450248.db2.gz ZXMHGKMVONHZBD-UHFFFAOYSA-N 1 0 356.329 2.234 20 5 FEBDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000269135630 550158902 /nfs/dbraw/zinc/15/89/02/550158902.db2.gz JXUDVOWENYJMFX-UHFFFAOYSA-N 1 0 359.430 2.453 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269666078 550215191 /nfs/dbraw/zinc/21/51/91/550215191.db2.gz JLEGGPSEQZZORW-HIFRSBDPSA-N 1 0 364.446 2.475 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708181 561457735 /nfs/dbraw/zinc/45/77/35/561457735.db2.gz OZXREGGBLFALQE-CXMBCZLWSA-N 1 0 351.403 2.071 20 5 FEBDRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494039911 561461179 /nfs/dbraw/zinc/46/11/79/561461179.db2.gz VZWHJVJZYUAASD-DOMZBBRYSA-N 1 0 356.382 2.088 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000271338359 550366275 /nfs/dbraw/zinc/36/62/75/550366275.db2.gz BJKBMBAOEDVENV-UHFFFAOYSA-N 1 0 372.425 2.496 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272410103 550445300 /nfs/dbraw/zinc/44/53/00/550445300.db2.gz CBHVFQDPMDSCOA-AAEUAGOBSA-N 1 0 373.862 2.271 20 5 FEBDRO Cc1nn(CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000273104561 550485225 /nfs/dbraw/zinc/48/52/25/550485225.db2.gz LRSQANRQFSTWBE-UHFFFAOYSA-N 1 0 371.441 2.143 20 5 FEBDRO CC1([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)OCCO1 ZINC000273130656 550486359 /nfs/dbraw/zinc/48/63/59/550486359.db2.gz SWLFLQRPMSTXCS-HNNXBMFYSA-N 1 0 364.398 2.436 20 5 FEBDRO CC[C@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000494494494 561470574 /nfs/dbraw/zinc/47/05/74/561470574.db2.gz LJOIVAZRJQWKDQ-YOEHRIQHSA-N 1 0 364.446 2.012 20 5 FEBDRO O=[N+]([O-])c1cnn(Cc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000273991017 550518478 /nfs/dbraw/zinc/51/84/78/550518478.db2.gz YPTWDKCOKNAJGM-UHFFFAOYSA-N 1 0 354.370 2.485 20 5 FEBDRO COC(=O)c1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000276683810 550585050 /nfs/dbraw/zinc/58/50/50/550585050.db2.gz GGFLVSYZVMGENC-UHFFFAOYSA-N 1 0 371.397 2.500 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000276920146 550611126 /nfs/dbraw/zinc/61/11/26/550611126.db2.gz HACKKBKYXKOUBF-HOCLYGCPSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000276921333 550611401 /nfs/dbraw/zinc/61/14/01/550611401.db2.gz YUALKWSHLXZRNA-ZFWWWQNUSA-N 1 0 353.444 2.029 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000276968915 550616833 /nfs/dbraw/zinc/61/68/33/550616833.db2.gz FPMLLRVHPOZLSG-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCO1 ZINC000277753448 550710095 /nfs/dbraw/zinc/71/00/95/550710095.db2.gz YWKAPPDTIFQJIB-ZDUSSCGKSA-N 1 0 360.414 2.307 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754031 550710208 /nfs/dbraw/zinc/71/02/08/550710208.db2.gz RTRQPFSODYBJMU-CABCVRRESA-N 1 0 364.446 2.456 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000278278278 550768183 /nfs/dbraw/zinc/76/81/83/550768183.db2.gz AERUUOISHUMFSC-NFBGWVBBSA-N 1 0 359.426 2.320 20 5 FEBDRO Cc1cc([N+](=O)[O-])cn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1=O ZINC000278518632 550794600 /nfs/dbraw/zinc/79/46/00/550794600.db2.gz GCIWXYXJBOLCOW-GOSISDBHSA-N 1 0 357.410 2.356 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000278721422 550814850 /nfs/dbraw/zinc/81/48/50/550814850.db2.gz PSAVPFAUDMIKND-CYBMUJFWSA-N 1 0 372.429 2.098 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799878 550823559 /nfs/dbraw/zinc/82/35/59/550823559.db2.gz XOQSTOYLTMVSHF-WBMJQRKESA-N 1 0 372.429 2.097 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000278855807 550829566 /nfs/dbraw/zinc/82/95/66/550829566.db2.gz MNXGWTHIWUZFCQ-LFAOLKIESA-N 1 0 359.426 2.320 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279513605 550898659 /nfs/dbraw/zinc/89/86/59/550898659.db2.gz UNBNJPJNKNTIJR-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO CC(C)CCSc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000495375367 561487249 /nfs/dbraw/zinc/48/72/49/561487249.db2.gz KEHQFIPMDKCJRM-DZGCQCFKSA-N 1 0 367.471 2.043 20 5 FEBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(CCO)CCOCC1 ZINC000495449209 561488075 /nfs/dbraw/zinc/48/80/75/561488075.db2.gz BDBXQTIDEWNLPU-UHFFFAOYSA-N 1 0 362.386 2.008 20 5 FEBDRO C[C@@H](CN1CCOCC1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833404 550933960 /nfs/dbraw/zinc/93/39/60/550933960.db2.gz ZUAQYFTXKHMSGT-AWEZNQCLSA-N 1 0 360.414 2.402 20 5 FEBDRO O=C(NCC[N@H+]1CC=CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000279941333 550945116 /nfs/dbraw/zinc/94/51/16/550945116.db2.gz HPVASUPTWONNSE-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000280216740 550972360 /nfs/dbraw/zinc/97/23/60/550972360.db2.gz QNRKHTUHRBWVOC-UHFFFAOYSA-N 1 0 373.812 2.157 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280246431 550974301 /nfs/dbraw/zinc/97/43/01/550974301.db2.gz BGSMMIDVZRAQRN-KDOFPFPSSA-N 1 0 363.414 2.112 20 5 FEBDRO Nc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000280702305 551023116 /nfs/dbraw/zinc/02/31/16/551023116.db2.gz WXAPQLAJVWPJQS-CALCHBBNSA-N 1 0 366.421 2.381 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cccc1[N+](=O)[O-] ZINC000281190023 551072162 /nfs/dbraw/zinc/07/21/62/551072162.db2.gz RGECSDNIHQPCTO-OLZOCXBDSA-N 1 0 357.414 2.112 20 5 FEBDRO COc1cc(C(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000281771226 551141600 /nfs/dbraw/zinc/14/16/00/551141600.db2.gz QYSKURHCRQNQIB-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)n1 ZINC000282512193 551239751 /nfs/dbraw/zinc/23/97/51/551239751.db2.gz OOLAERHWKOORCV-UHFFFAOYSA-N 1 0 359.405 2.458 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000497628110 561505109 /nfs/dbraw/zinc/50/51/09/561505109.db2.gz OLWPEBBGIVBWJQ-OAHLLOKOSA-N 1 0 370.475 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1C ZINC000497773994 561508567 /nfs/dbraw/zinc/50/85/67/561508567.db2.gz QUZIWNJKDSMLCD-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497957990 561512340 /nfs/dbraw/zinc/51/23/40/561512340.db2.gz GGARNHZXIAUNIA-ZFWWWQNUSA-N 1 0 370.409 2.336 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285324505 551738163 /nfs/dbraw/zinc/73/81/63/551738163.db2.gz NJNBGWZWIGBJDH-GOSISDBHSA-N 1 0 363.414 2.113 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285330845 551739377 /nfs/dbraw/zinc/73/93/77/551739377.db2.gz SEVCTGAXZSJFPN-DLBZAZTESA-N 1 0 361.442 2.437 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000285441955 551757367 /nfs/dbraw/zinc/75/73/67/551757367.db2.gz IFUOHDUHGMNNBA-UHFFFAOYSA-N 1 0 369.437 2.293 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285470799 551761276 /nfs/dbraw/zinc/76/12/76/551761276.db2.gz QFEXABQCWHHYRJ-RRQGHBQHSA-N 1 0 362.430 2.079 20 5 FEBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285492925 551764979 /nfs/dbraw/zinc/76/49/79/551764979.db2.gz MCZJQLNMTRFALL-FKEKPDDDSA-N 1 0 358.442 2.041 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000285550067 551773549 /nfs/dbraw/zinc/77/35/49/551773549.db2.gz IRIKXBYUEXNAFG-PBWFPOADSA-N 1 0 353.444 2.149 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000498928053 561538316 /nfs/dbraw/zinc/53/83/16/561538316.db2.gz HUKGHZMKDQKOHO-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000286190135 551859268 /nfs/dbraw/zinc/85/92/68/551859268.db2.gz AZYOFSNLECFUKI-MRXNPFEDSA-N 1 0 373.482 2.448 20 5 FEBDRO COc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286288769 551870248 /nfs/dbraw/zinc/87/02/48/551870248.db2.gz HKHKNMWTOCIBIG-AGUYFDCRSA-N 1 0 362.430 2.099 20 5 FEBDRO COc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286323772 551874492 /nfs/dbraw/zinc/87/44/92/551874492.db2.gz AAXYELAOOSOEJO-ZFWWWQNUSA-N 1 0 362.430 2.372 20 5 FEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4F)[C@H]1[C@H]3C2 ZINC000286398700 551883245 /nfs/dbraw/zinc/88/32/45/551883245.db2.gz HGUNLIYIFSLEPQ-RRGUEFANSA-N 1 0 363.389 2.418 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286436451 551885051 /nfs/dbraw/zinc/88/50/51/551885051.db2.gz NYBOHOWYHUHRGX-OCCSQVGLSA-N 1 0 353.444 2.061 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000286618772 551907024 /nfs/dbraw/zinc/90/70/24/551907024.db2.gz HWPPWANSNFLWSS-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1F ZINC000286720372 551918437 /nfs/dbraw/zinc/91/84/37/551918437.db2.gz NGCUHBHBKRZJMG-TZMCWYRMSA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286903614 551938316 /nfs/dbraw/zinc/93/83/16/551938316.db2.gz LWGXQUFYUNYHKD-YOEHRIQHSA-N 1 0 358.442 2.043 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000287436429 552003911 /nfs/dbraw/zinc/00/39/11/552003911.db2.gz QWDJROVHDYSHIO-GOEBONIOSA-N 1 0 361.442 2.455 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288231736 552115367 /nfs/dbraw/zinc/11/53/67/552115367.db2.gz AQPQHZJLLYIIPA-OCCSQVGLSA-N 1 0 372.429 2.239 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000288823518 552219293 /nfs/dbraw/zinc/21/92/93/552219293.db2.gz IJERFZIRCGTCTO-IAGOWNOFSA-N 1 0 373.457 2.415 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000500466297 561573974 /nfs/dbraw/zinc/57/39/74/561573974.db2.gz WZCBJTGTIMURCJ-ZMRGCFQXSA-N 1 0 367.471 2.306 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CCCC1 ZINC000289615682 552350288 /nfs/dbraw/zinc/35/02/88/552350288.db2.gz SLGLGCGYMUUKAC-OAHLLOKOSA-N 1 0 351.403 2.073 20 5 FEBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500479193 561574465 /nfs/dbraw/zinc/57/44/65/561574465.db2.gz NOCWDJLCKQKUKS-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000500548599 561576686 /nfs/dbraw/zinc/57/66/86/561576686.db2.gz VFPPDBIMLZJNSR-RISCZKNCSA-N 1 0 361.851 2.056 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cc(CO)nn1 ZINC000289870717 552392002 /nfs/dbraw/zinc/39/20/02/552392002.db2.gz RLOBKQWGKXWXCA-ZDUSSCGKSA-N 1 0 365.459 2.229 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290175291 552438513 /nfs/dbraw/zinc/43/85/13/552438513.db2.gz QDSPOUXLCPRGEE-LJQANCHMSA-N 1 0 369.421 2.440 20 5 FEBDRO C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C[NH+](C)C ZINC000291805110 552663516 /nfs/dbraw/zinc/66/35/16/552663516.db2.gz JTOQSUNBMOJNFR-LLVKDONJSA-N 1 0 365.821 2.404 20 5 FEBDRO CN(C(=O)CN1CC[C@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291889564 552671969 /nfs/dbraw/zinc/67/19/69/552671969.db2.gz QPZOEGMSSHQWGC-FQEVSTJZSA-N 1 0 369.421 2.194 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000292017657 552684908 /nfs/dbraw/zinc/68/49/08/552684908.db2.gz SNTZNKUPQMXHFQ-UHFFFAOYSA-N 1 0 357.414 2.108 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1SC ZINC000292382701 552721794 /nfs/dbraw/zinc/72/17/94/552721794.db2.gz XMLSGKGVHFNDKE-QGZVFWFLSA-N 1 0 365.455 2.493 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292827939 552762216 /nfs/dbraw/zinc/76/22/16/552762216.db2.gz OPCWDMVEIQERAU-MRXNPFEDSA-N 1 0 353.444 2.010 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000292963981 552775627 /nfs/dbraw/zinc/77/56/27/552775627.db2.gz DCMFFBCGCNZHTE-CQSZACIVSA-N 1 0 358.442 2.409 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293501374 552830373 /nfs/dbraw/zinc/83/03/73/552830373.db2.gz XFPBBHQXEARCQT-IBGZPJMESA-N 1 0 374.441 2.040 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590295 552838373 /nfs/dbraw/zinc/83/83/73/552838373.db2.gz CRQOIUKNSBBDBT-KBPBESRZSA-N 1 0 364.446 2.454 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000293801609 552857638 /nfs/dbraw/zinc/85/76/38/552857638.db2.gz NIZKWYAZDCYCQE-UHFFFAOYSA-N 1 0 369.487 2.323 20 5 FEBDRO Cc1nn([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128301 552884151 /nfs/dbraw/zinc/88/41/51/552884151.db2.gz FGKPFKIRRLLXEF-GDBMZVCRSA-N 1 0 357.414 2.051 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295135696 552962492 /nfs/dbraw/zinc/96/24/92/552962492.db2.gz YTCXRMODKQXUTR-LBPRGKRZSA-N 1 0 355.460 2.165 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000295560760 553026434 /nfs/dbraw/zinc/02/64/34/553026434.db2.gz KZDIPUNHMIALIA-UHFFFAOYSA-N 1 0 364.421 2.404 20 5 FEBDRO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295677283 553043320 /nfs/dbraw/zinc/04/33/20/553043320.db2.gz KOFKFJZNRJBVEG-ZDUSSCGKSA-N 1 0 355.439 2.178 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000297583360 553311647 /nfs/dbraw/zinc/31/16/47/553311647.db2.gz YVCRBYLTBIBOBJ-UHFFFAOYSA-N 1 0 374.445 2.497 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297749285 553334097 /nfs/dbraw/zinc/33/40/97/553334097.db2.gz DPMZRJHERWUTMC-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000297763344 553336014 /nfs/dbraw/zinc/33/60/14/553336014.db2.gz FOFLLBQCJDTYGO-AWEZNQCLSA-N 1 0 364.446 2.243 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298035816 553374754 /nfs/dbraw/zinc/37/47/54/553374754.db2.gz GBTNVOBEGMYYEX-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000298122941 553387066 /nfs/dbraw/zinc/38/70/66/553387066.db2.gz KKAQDLRBVHDGDX-QGZVFWFLSA-N 1 0 365.430 2.319 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000298292066 553408732 /nfs/dbraw/zinc/40/87/32/553408732.db2.gz JDQIKMIUURDLNO-AWEZNQCLSA-N 1 0 359.386 2.321 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000298484363 553430840 /nfs/dbraw/zinc/43/08/40/553430840.db2.gz SZWWEFFDQPHZCI-INIZCTEOSA-N 1 0 350.419 2.016 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1cccs1 ZINC000298799438 553474517 /nfs/dbraw/zinc/47/45/17/553474517.db2.gz QIVMDVKCVTXJQT-CYBMUJFWSA-N 1 0 370.456 2.019 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000298826591 553478006 /nfs/dbraw/zinc/47/80/06/553478006.db2.gz WLBSYOGWQXPRKE-UHFFFAOYSA-N 1 0 372.425 2.195 20 5 FEBDRO COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCC2)cc1 ZINC000298875632 553483927 /nfs/dbraw/zinc/48/39/27/553483927.db2.gz XTMCKDYIJLUOHF-MRXNPFEDSA-N 1 0 358.398 2.498 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298934989 553491821 /nfs/dbraw/zinc/49/18/21/553491821.db2.gz ITSJGSAXOHNROA-UHFFFAOYSA-N 1 0 360.414 2.010 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000298981868 553498673 /nfs/dbraw/zinc/49/86/73/553498673.db2.gz HLXYHVPFYFBCHK-LSDHHAIUSA-N 1 0 355.398 2.137 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299038539 553506963 /nfs/dbraw/zinc/50/69/63/553506963.db2.gz FUAPRAMLTIFZOE-UHFFFAOYSA-N 1 0 373.457 2.174 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000299343045 553550855 /nfs/dbraw/zinc/55/08/55/553550855.db2.gz OVMFOOOKWYCTPD-SCLBCKFNSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000299515906 553574307 /nfs/dbraw/zinc/57/43/07/553574307.db2.gz COONPYMJWXXOKR-OAHLLOKOSA-N 1 0 353.419 2.271 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000299552671 553579903 /nfs/dbraw/zinc/57/99/03/553579903.db2.gz GEFUBDRGEXDAIG-MNOVXSKESA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000299668921 553600557 /nfs/dbraw/zinc/60/05/57/553600557.db2.gz MCNVRAKXHKRMHE-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301099731 553621864 /nfs/dbraw/zinc/62/18/64/553621864.db2.gz SMODTHDJZBEPKL-AWEZNQCLSA-N 1 0 355.398 2.165 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301800703 553680202 /nfs/dbraw/zinc/68/02/02/553680202.db2.gz SSTCJMZFHDIGLD-ZDUSSCGKSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1nn(CCC(=O)N(C)CC[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000505354776 561669979 /nfs/dbraw/zinc/66/99/79/561669979.db2.gz ZHVCZZCKEZIDOV-UHFFFAOYSA-N 1 0 353.467 2.375 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324201849 553771539 /nfs/dbraw/zinc/77/15/39/553771539.db2.gz NCSWLSQXHNRLIB-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000506658985 561705256 /nfs/dbraw/zinc/70/52/56/561705256.db2.gz AILQWARGFWYTMQ-UHFFFAOYSA-N 1 0 355.398 2.162 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594340 561734644 /nfs/dbraw/zinc/73/46/44/561734644.db2.gz ABRPZGYPHLPKAD-OCCSQVGLSA-N 1 0 356.382 2.261 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330886481 554183531 /nfs/dbraw/zinc/18/35/31/554183531.db2.gz GKFUEBZLSGCILQ-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000330892311 554184086 /nfs/dbraw/zinc/18/40/86/554184086.db2.gz XQYIVLQLMFKIRQ-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000331271787 554239407 /nfs/dbraw/zinc/23/94/07/554239407.db2.gz GPTNPZBJPBDKDZ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1C ZINC000331382974 554254913 /nfs/dbraw/zinc/25/49/13/554254913.db2.gz BQTPYDQCNHTUBK-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000509023516 561782004 /nfs/dbraw/zinc/78/20/04/561782004.db2.gz WLKOOVNHWWHJRS-UGSOOPFHSA-N 1 0 368.428 2.331 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509427751 561799204 /nfs/dbraw/zinc/79/92/04/561799204.db2.gz ARKQXZZKWKJFED-UHFFFAOYSA-N 1 0 368.397 2.302 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000331964745 554354137 /nfs/dbraw/zinc/35/41/37/554354137.db2.gz APVJPNFNXCTMGY-ZIAGYGMSSA-N 1 0 362.430 2.307 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071217 554373981 /nfs/dbraw/zinc/37/39/81/554373981.db2.gz CCAIPZRRAANSTF-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332075838 554375432 /nfs/dbraw/zinc/37/54/32/554375432.db2.gz FYOSERRNAMHHPK-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000332562101 554472039 /nfs/dbraw/zinc/47/20/39/554472039.db2.gz XEQUJCZWTKNXAR-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000510713688 561844335 /nfs/dbraw/zinc/84/43/35/561844335.db2.gz BKBZYTZAALPXFT-ZIAGYGMSSA-N 1 0 373.450 2.381 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702485 554668817 /nfs/dbraw/zinc/66/88/17/554668817.db2.gz UGHJRFRQQDTYOP-CQSZACIVSA-N 1 0 358.446 2.224 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](c2ccnn2C)C1 ZINC000511152671 561859422 /nfs/dbraw/zinc/85/94/22/561859422.db2.gz SKTAAPLLYKMRFE-CQSZACIVSA-N 1 0 357.414 2.455 20 5 FEBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000511401171 561867950 /nfs/dbraw/zinc/86/79/50/561867950.db2.gz UUXZEFCYYROHPC-UHFFFAOYSA-N 1 0 356.430 2.399 20 5 FEBDRO COc1ccc(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000362069099 554948191 /nfs/dbraw/zinc/94/81/91/554948191.db2.gz UNDFXRAGZJEWRA-INIZCTEOSA-N 1 0 357.410 2.472 20 5 FEBDRO C[NH+](C)C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000362164388 554953656 /nfs/dbraw/zinc/95/36/56/554953656.db2.gz VRLPCQSZFUKXNC-HNNXBMFYSA-N 1 0 370.409 2.023 20 5 FEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000362665795 554979395 /nfs/dbraw/zinc/97/93/95/554979395.db2.gz MEYBTHAGNBSGGX-ZDUSSCGKSA-N 1 0 357.414 2.284 20 5 FEBDRO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853155 554993440 /nfs/dbraw/zinc/99/34/40/554993440.db2.gz UBYVAHVOHCSTQF-JKSUJKDBSA-N 1 0 358.442 2.118 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000363079469 555025501 /nfs/dbraw/zinc/02/55/01/555025501.db2.gz ZUSIVBDWMJYAPC-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258706 555065787 /nfs/dbraw/zinc/06/57/87/555065787.db2.gz IHVFWLAQKSLEAV-JYYAWHABSA-N 1 0 358.442 2.338 20 5 FEBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cn1 ZINC000363588305 555142432 /nfs/dbraw/zinc/14/24/32/555142432.db2.gz GAEKASNMBWEUEB-ZDUSSCGKSA-N 1 0 368.397 2.443 20 5 FEBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cn1 ZINC000363590592 555143169 /nfs/dbraw/zinc/14/31/69/555143169.db2.gz VPASWBQCTKKTMQ-ZDUSSCGKSA-N 1 0 368.397 2.443 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000363641573 555153040 /nfs/dbraw/zinc/15/30/40/555153040.db2.gz PHVUELXCPPMQHI-JCURWCKSSA-N 1 0 363.414 2.287 20 5 FEBDRO Cc1c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364075571 555245605 /nfs/dbraw/zinc/24/56/05/555245605.db2.gz MSPURJXQZFKJPE-ZDUSSCGKSA-N 1 0 362.386 2.430 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1C ZINC000364179768 555264150 /nfs/dbraw/zinc/26/41/50/555264150.db2.gz HAHUVEBALGSGDS-JKSUJKDBSA-N 1 0 353.444 2.104 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)o2)c(Cl)c1 ZINC000364327328 555292133 /nfs/dbraw/zinc/29/21/33/555292133.db2.gz YBXHQMZEXJWPLB-NWDGAFQWSA-N 1 0 352.774 2.436 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581405 555344431 /nfs/dbraw/zinc/34/44/31/555344431.db2.gz QHKQLYDTKNMWBP-ARFHVFGLSA-N 1 0 359.426 2.468 20 5 FEBDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593333 555347643 /nfs/dbraw/zinc/34/76/43/555347643.db2.gz YMXADXWWIKBGDV-CVEARBPZSA-N 1 0 373.409 2.191 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)CC2 ZINC000364675323 555371207 /nfs/dbraw/zinc/37/12/07/555371207.db2.gz LUAUAFOZRZAHFG-QGZVFWFLSA-N 1 0 372.425 2.175 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364893376 555428076 /nfs/dbraw/zinc/42/80/76/555428076.db2.gz RCEBWMXUHMZYJN-GOSISDBHSA-N 1 0 371.397 2.070 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512798646 561915816 /nfs/dbraw/zinc/91/58/16/561915816.db2.gz XYQDCSUNFPUPPF-NSHDSACASA-N 1 0 373.356 2.493 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221788 555514215 /nfs/dbraw/zinc/51/42/15/555514215.db2.gz HRYCYTXTZIRVLG-NWDGAFQWSA-N 1 0 356.382 2.205 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000365376420 555557705 /nfs/dbraw/zinc/55/77/05/555557705.db2.gz BTVNVOAQTYZASE-KGLIPLIRSA-N 1 0 365.434 2.123 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000365483740 555587687 /nfs/dbraw/zinc/58/76/87/555587687.db2.gz NLILZBVUPUZCQK-CQSZACIVSA-N 1 0 356.382 2.452 20 5 FEBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365617746 555623887 /nfs/dbraw/zinc/62/38/87/555623887.db2.gz CXGFUJWXKSTXRC-MRVPVSSYSA-N 1 0 360.233 2.339 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000365703300 555645226 /nfs/dbraw/zinc/64/52/26/555645226.db2.gz NIRQJWDIRWLUFD-GVXVVHGQSA-N 1 0 373.862 2.305 20 5 FEBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCn2cncc2C1 ZINC000365741865 555656585 /nfs/dbraw/zinc/65/65/85/555656585.db2.gz ILDBJLFNCLXPBQ-UHFFFAOYSA-N 1 0 357.189 2.271 20 5 FEBDRO COc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([N+](=O)[O-])cc1OC ZINC000365830699 555678096 /nfs/dbraw/zinc/67/80/96/555678096.db2.gz LGKTYTNVVBPLGO-UHFFFAOYSA-N 1 0 363.414 2.056 20 5 FEBDRO O=C(CCN1CC[NH+]([C@H]2CCSC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000365890585 555693512 /nfs/dbraw/zinc/69/35/12/555693512.db2.gz JLNVQENEAJAQBT-AWEZNQCLSA-N 1 0 364.471 2.047 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000366189289 555776301 /nfs/dbraw/zinc/77/63/01/555776301.db2.gz RCMPRXWHSXRPOH-LBPRGKRZSA-N 1 0 350.394 2.110 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000366218293 555784316 /nfs/dbraw/zinc/78/43/16/555784316.db2.gz KWEBSWVOWWVZEA-UHFFFAOYSA-N 1 0 373.461 2.094 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513881792 561953124 /nfs/dbraw/zinc/95/31/24/561953124.db2.gz WFWDRZQVMGRUDR-OAHLLOKOSA-N 1 0 355.460 2.087 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243051 561965295 /nfs/dbraw/zinc/96/52/95/561965295.db2.gz XFQCFCGKAQGXDW-KGYLQXTDSA-N 1 0 351.403 2.408 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000514317448 561965713 /nfs/dbraw/zinc/96/57/13/561965713.db2.gz PTYBQEHIFAUZPK-WBVHZDCISA-N 1 0 374.393 2.106 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000367334653 556021224 /nfs/dbraw/zinc/02/12/24/556021224.db2.gz PMVUSHDKPQLQGF-MRXNPFEDSA-N 1 0 373.413 2.421 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367358344 556027123 /nfs/dbraw/zinc/02/71/23/556027123.db2.gz JQNZGUPUAFRPMC-UHFFFAOYSA-N 1 0 364.365 2.074 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367437473 556048705 /nfs/dbraw/zinc/04/87/05/556048705.db2.gz WNMUGOGPAWJRGI-KSSFIOAISA-N 1 0 360.458 2.260 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc([N+](=O)[O-])cc4C)C[C@@H]3C2)no1 ZINC000368212343 556250440 /nfs/dbraw/zinc/25/04/40/556250440.db2.gz MUDPLABBTFRVLA-HZPDHXFCSA-N 1 0 371.441 2.412 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000368261846 556261402 /nfs/dbraw/zinc/26/14/02/556261402.db2.gz DHDTVJQKGKYXFG-IAOVAPTHSA-N 1 0 358.442 2.394 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000368594797 556357205 /nfs/dbraw/zinc/35/72/05/556357205.db2.gz XLTBHYVPQMSGHP-BDJLRTHQSA-N 1 0 356.382 2.015 20 5 FEBDRO Cc1ncc(CN2CC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@H](C)C2)s1 ZINC000368963714 556460882 /nfs/dbraw/zinc/46/08/82/556460882.db2.gz CDXMSCGNDYTNDF-MLGOLLRUSA-N 1 0 364.475 2.056 20 5 FEBDRO CC1CCC([NH+]2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000368996004 556470989 /nfs/dbraw/zinc/47/09/89/556470989.db2.gz QKJIQMUNUOTISA-UHFFFAOYSA-N 1 0 363.462 2.341 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000369064430 556494589 /nfs/dbraw/zinc/49/45/89/556494589.db2.gz MMNJBKDAYLANPU-LBPRGKRZSA-N 1 0 361.398 2.113 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369309785 556571231 /nfs/dbraw/zinc/57/12/31/556571231.db2.gz IAUMMTAHGMKKQB-IJDCCNJMSA-N 1 0 372.469 2.094 20 5 FEBDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975611 556746495 /nfs/dbraw/zinc/74/64/95/556746495.db2.gz SQTPOLPPNNUIFZ-RDJZCZTQSA-N 1 0 360.414 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](OC)CC1 ZINC000369992411 556751236 /nfs/dbraw/zinc/75/12/36/556751236.db2.gz BVCQGFMYYAOPPH-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000516624277 562051259 /nfs/dbraw/zinc/05/12/59/562051259.db2.gz XJWLYQJIFYWPTK-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417987 556867196 /nfs/dbraw/zinc/86/71/96/556867196.db2.gz DRRYQNOFGPFMEX-HUUCEWRRSA-N 1 0 358.373 2.191 20 5 FEBDRO O=C(NCCCC[NH+]1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370536307 556902467 /nfs/dbraw/zinc/90/24/67/556902467.db2.gz RCZDNNOXEFJBNW-UHFFFAOYSA-N 1 0 364.450 2.014 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370762094 556961040 /nfs/dbraw/zinc/96/10/40/556961040.db2.gz ZESIECQUPUQCAY-SEHGVRFQSA-N 1 0 359.426 2.225 20 5 FEBDRO Cc1c(CC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814161 556976500 /nfs/dbraw/zinc/97/65/00/556976500.db2.gz HZKNCZJEFCAZBX-SFHVURJKSA-N 1 0 374.485 2.073 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370926495 557018980 /nfs/dbraw/zinc/01/89/80/557018980.db2.gz BKJOOSWYBJOUCE-RHSMWYFYSA-N 1 0 357.414 2.141 20 5 FEBDRO CCN(C(C)=O)c1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC000517202913 562079132 /nfs/dbraw/zinc/07/91/32/562079132.db2.gz DFDPOVOIVDQTNN-UHFFFAOYSA-N 1 0 363.443 2.389 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371366542 557162657 /nfs/dbraw/zinc/16/26/57/557162657.db2.gz YRIZGAUSPWPKTI-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000517442158 562090495 /nfs/dbraw/zinc/09/04/95/562090495.db2.gz NBPPIWVKAFEJKS-UKRRQHHQSA-N 1 0 367.471 2.455 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371404433 557174779 /nfs/dbraw/zinc/17/47/79/557174779.db2.gz NUUVEAPJRJHOPD-UHFFFAOYSA-N 1 0 362.430 2.373 20 5 FEBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517853336 562099206 /nfs/dbraw/zinc/09/92/06/562099206.db2.gz OSGQXCRJQXUDPV-QAPCUYQASA-N 1 0 356.426 2.276 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)c1 ZINC000372105249 557380794 /nfs/dbraw/zinc/38/07/94/557380794.db2.gz IPDJOQDKJPFJAC-HNNXBMFYSA-N 1 0 367.413 2.039 20 5 FEBDRO C[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCCCC2 ZINC000518790715 562118585 /nfs/dbraw/zinc/11/85/85/562118585.db2.gz KXGSBWACAAYLEU-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccncc2)n1 ZINC000372272597 557427292 /nfs/dbraw/zinc/42/72/92/557427292.db2.gz IHJJPOSLDRBBAN-MRXNPFEDSA-N 1 0 367.413 2.424 20 5 FEBDRO Cc1c([C@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000372318177 557438018 /nfs/dbraw/zinc/43/80/18/557438018.db2.gz FXUUUVVBMHNDCY-GOSISDBHSA-N 1 0 369.425 2.363 20 5 FEBDRO COc1ccc2c(c1)[C@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372345778 557446323 /nfs/dbraw/zinc/44/63/23/557446323.db2.gz LJNYWASZDWOEJW-CQSZACIVSA-N 1 0 357.410 2.427 20 5 FEBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000372397152 557460298 /nfs/dbraw/zinc/46/02/98/557460298.db2.gz APTDWKROSUTLSF-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1c(NC(=O)N(C)[C@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000519529226 562133587 /nfs/dbraw/zinc/13/35/87/562133587.db2.gz SILVLBTYFYYMPQ-JTQLQIEISA-N 1 0 357.208 2.491 20 5 FEBDRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372617462 557522285 /nfs/dbraw/zinc/52/22/85/557522285.db2.gz NDLTWDCMLRXBDQ-ZDUSSCGKSA-N 1 0 352.822 2.357 20 5 FEBDRO C[C@@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975384 557601289 /nfs/dbraw/zinc/60/12/89/557601289.db2.gz MNDJMADTSWCNLE-GOEBONIOSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000373081718 557623992 /nfs/dbraw/zinc/62/39/92/557623992.db2.gz SGSRVDHOSSMQBL-RDTXWAMCSA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000373163870 557642036 /nfs/dbraw/zinc/64/20/36/557642036.db2.gz CFKNRXKYNAEKOQ-UHFFFAOYSA-N 1 0 371.441 2.279 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(F)cc3)C2)c1 ZINC000373585151 557723394 /nfs/dbraw/zinc/72/33/94/557723394.db2.gz NCPZIGSZYOTGEA-GOEBONIOSA-N 1 0 364.377 2.007 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373762819 557753656 /nfs/dbraw/zinc/75/36/56/557753656.db2.gz YKQDRCHGHLRNQO-CRAIPNDOSA-N 1 0 362.474 2.061 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000373896989 557782115 /nfs/dbraw/zinc/78/21/15/557782115.db2.gz VAFMLOVADHEAGT-LLYBFZRZSA-N 1 0 359.426 2.320 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000520798214 562164135 /nfs/dbraw/zinc/16/41/35/562164135.db2.gz QTEFZVCFVDAJPC-ZBFHGGJFSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCN3CCOC[C@H]3C)CC2)cc([N+](=O)[O-])c1N ZINC000374165622 557835307 /nfs/dbraw/zinc/83/53/07/557835307.db2.gz ZNCRXTHOXFAFNZ-OAHLLOKOSA-N 1 0 360.458 2.295 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374183587 557839787 /nfs/dbraw/zinc/83/97/87/557839787.db2.gz OWGCCOGUBOIHDQ-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000374320103 557865190 /nfs/dbraw/zinc/86/51/90/557865190.db2.gz FQSMUXQECRLOJV-INIZCTEOSA-N 1 0 350.806 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000375607070 558056465 /nfs/dbraw/zinc/05/64/65/558056465.db2.gz KZAQGFMVUQZWSI-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000376013255 558113570 /nfs/dbraw/zinc/11/35/70/558113570.db2.gz HCVUWAFAQOIWHT-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)s1 ZINC000376450654 558175080 /nfs/dbraw/zinc/17/50/80/558175080.db2.gz SUVCDANCQUFUPJ-RYUDHWBXSA-N 1 0 363.443 2.025 20 5 FEBDRO CN1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376827323 558226626 /nfs/dbraw/zinc/22/66/26/558226626.db2.gz HUPCXXBULSDLAX-YOEHRIQHSA-N 1 0 358.373 2.491 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000521862989 562185249 /nfs/dbraw/zinc/18/52/49/562185249.db2.gz ONSCHZDOCHKXME-AWEZNQCLSA-N 1 0 368.455 2.450 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000377168169 558279970 /nfs/dbraw/zinc/27/99/70/558279970.db2.gz JPKCRNMXXGKTRW-COXVUDFISA-N 1 0 374.441 2.350 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)c1C ZINC000377283907 558306184 /nfs/dbraw/zinc/30/61/84/558306184.db2.gz WBWTVZSWABMAIM-HOCLYGCPSA-N 1 0 353.444 2.104 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)(C)C ZINC000522517203 562199391 /nfs/dbraw/zinc/19/93/91/562199391.db2.gz RMHBOBOCUGBLHF-OAHLLOKOSA-N 1 0 365.430 2.462 20 5 FEBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766510 558415675 /nfs/dbraw/zinc/41/56/75/558415675.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 1 0 355.442 2.245 20 5 FEBDRO COc1cc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000378086385 558477226 /nfs/dbraw/zinc/47/72/26/558477226.db2.gz JLZPDDQYGCAQNT-CQSZACIVSA-N 1 0 366.437 2.206 20 5 FEBDRO CCc1ccc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000378227596 558506560 /nfs/dbraw/zinc/50/65/60/558506560.db2.gz ORUGAUHOGPDHLF-SOLBZPMBSA-N 1 0 361.442 2.481 20 5 FEBDRO CCc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000378364527 558539603 /nfs/dbraw/zinc/53/96/03/558539603.db2.gz CRAYHDQJEMQRKX-HNNXBMFYSA-N 1 0 374.485 2.398 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000378574865 558586361 /nfs/dbraw/zinc/58/63/61/558586361.db2.gz XFDDIKSSLDWJGG-UHFFFAOYSA-N 1 0 373.388 2.337 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000378622218 558595628 /nfs/dbraw/zinc/59/56/28/558595628.db2.gz MYSGWAYBTLVHBC-QGZVFWFLSA-N 1 0 372.425 2.175 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000523757285 562219161 /nfs/dbraw/zinc/21/91/61/562219161.db2.gz BMMWXUPQGKQRQC-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411490913 558904301 /nfs/dbraw/zinc/90/43/01/558904301.db2.gz DHSVPUYLJKGKSU-UHFFFAOYSA-N 1 0 374.441 2.256 20 5 FEBDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411559575 558917273 /nfs/dbraw/zinc/91/72/73/558917273.db2.gz IOCHNUACVRHLGQ-GFCCVEGCSA-N 1 0 350.419 2.158 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000525853114 562257432 /nfs/dbraw/zinc/25/74/32/562257432.db2.gz XXCCTNDSGMRBFL-UHFFFAOYSA-N 1 0 363.462 2.489 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000411894241 558984256 /nfs/dbraw/zinc/98/42/56/558984256.db2.gz QFMMQQWTUGRXKZ-APWZRJJASA-N 1 0 371.393 2.444 20 5 FEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411958676 558995292 /nfs/dbraw/zinc/99/52/92/558995292.db2.gz CIOKIRDGKPAGFF-IBGZPJMESA-N 1 0 365.393 2.100 20 5 FEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411964373 558996333 /nfs/dbraw/zinc/99/63/33/558996333.db2.gz IODXVHYAASIOQO-LJQANCHMSA-N 1 0 355.394 2.103 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412171239 559018237 /nfs/dbraw/zinc/01/82/37/559018237.db2.gz DSXNIHYEVWSCPU-OLZOCXBDSA-N 1 0 365.405 2.370 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@H]1[NH+](C)C ZINC000412218618 559020602 /nfs/dbraw/zinc/02/06/02/559020602.db2.gz RXVOKCSCBGCUKI-GDBMZVCRSA-N 1 0 367.471 2.500 20 5 FEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328559 559028164 /nfs/dbraw/zinc/02/81/64/559028164.db2.gz CCEFNYDNQWCGHU-DGCLKSJQSA-N 1 0 361.402 2.484 20 5 FEBDRO CC[C@@H](C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000413072388 559075119 /nfs/dbraw/zinc/07/51/19/559075119.db2.gz PCRNQINELGUZEZ-GJZGRUSLSA-N 1 0 365.430 2.434 20 5 FEBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@H+](C)C1 ZINC000413505630 559112793 /nfs/dbraw/zinc/11/27/93/559112793.db2.gz VFNPAVNQAMPKFN-ZDUSSCGKSA-N 1 0 365.430 2.313 20 5 FEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000413942479 559142116 /nfs/dbraw/zinc/14/21/16/559142116.db2.gz WNQJVCVETOHHKC-UHFFFAOYSA-N 1 0 374.397 2.378 20 5 FEBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199042 559152654 /nfs/dbraw/zinc/15/26/54/559152654.db2.gz YSKAOPJZVPXHPV-WMZOPIPTSA-N 1 0 364.442 2.472 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000414949905 559196741 /nfs/dbraw/zinc/19/67/41/559196741.db2.gz OAAFKGNPEAWTBX-UWVGGRQHSA-N 1 0 356.329 2.269 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415657828 559258786 /nfs/dbraw/zinc/25/87/86/559258786.db2.gz MWEGUBAKNPELBX-MFKMUULPSA-N 1 0 352.391 2.228 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415829838 559276144 /nfs/dbraw/zinc/27/61/44/559276144.db2.gz DAEREFRTLGBFPN-OAHLLOKOSA-N 1 0 370.409 2.220 20 5 FEBDRO COc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000416333275 559306130 /nfs/dbraw/zinc/30/61/30/559306130.db2.gz KVSKZFQMUQWNRM-UHFFFAOYSA-N 1 0 374.397 2.378 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416668208 559328815 /nfs/dbraw/zinc/32/88/15/559328815.db2.gz ZSBDHAOOXPTDOF-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000417711034 559373613 /nfs/dbraw/zinc/37/36/13/559373613.db2.gz CVNVACPDQLNHBR-GJZGRUSLSA-N 1 0 363.462 2.474 20 5 FEBDRO C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000418003275 559386085 /nfs/dbraw/zinc/38/60/85/559386085.db2.gz ZQYRYCIWHGNAEL-WCQYABFASA-N 1 0 354.838 2.417 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000420001731 559468378 /nfs/dbraw/zinc/46/83/78/559468378.db2.gz RPXOOGJSJUCKNB-AWEZNQCLSA-N 1 0 363.336 2.046 20 5 FEBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420384517 559484475 /nfs/dbraw/zinc/48/44/75/559484475.db2.gz TZVUDCPPTOOWAU-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420388359 559484848 /nfs/dbraw/zinc/48/48/48/559484848.db2.gz WUEKSQFKXCVSAE-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421346748 559539835 /nfs/dbraw/zinc/53/98/35/559539835.db2.gz AKPSWZCMCZEBRK-MGPQQGTHSA-N 1 0 362.430 2.193 20 5 FEBDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000421373277 559540552 /nfs/dbraw/zinc/54/05/52/559540552.db2.gz DVAWZMPBBXKYMT-LBPRGKRZSA-N 1 0 359.382 2.431 20 5 FEBDRO COC1([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421397945 559541266 /nfs/dbraw/zinc/54/12/66/559541266.db2.gz FHMQBBVXLDUDOY-KBPBESRZSA-N 1 0 365.430 2.486 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422555307 559594764 /nfs/dbraw/zinc/59/47/64/559594764.db2.gz PAIZWQPCRRNJIE-BZPMIXESSA-N 1 0 355.460 2.206 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000423618660 559634022 /nfs/dbraw/zinc/63/40/22/559634022.db2.gz UWGDUNWHLYOSJD-OAHLLOKOSA-N 1 0 363.414 2.280 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424006577 559650495 /nfs/dbraw/zinc/65/04/95/559650495.db2.gz UPCSGBCSGWKBCA-CVEARBPZSA-N 1 0 351.378 2.092 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000424013251 559651002 /nfs/dbraw/zinc/65/10/02/559651002.db2.gz KIYPNFGCTLIHLI-RYUDHWBXSA-N 1 0 351.403 2.059 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424030359 559651921 /nfs/dbraw/zinc/65/19/21/559651921.db2.gz ZXNWGHSVKGNECY-SRVKXCTJSA-N 1 0 355.822 2.459 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424037011 559652177 /nfs/dbraw/zinc/65/21/77/559652177.db2.gz IJDPDBMADNHXRJ-DZGCQCFKSA-N 1 0 359.357 2.066 20 5 FEBDRO [NH3+]C1(CNC(=O)COc2ccccc2[N+](=O)[O-])C2CC3CC(C2)CC1C3 ZINC000424043033 559652427 /nfs/dbraw/zinc/65/24/27/559652427.db2.gz MLYVJNIWVGHBHR-UHFFFAOYSA-N 1 0 359.426 2.243 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000424064854 559653222 /nfs/dbraw/zinc/65/32/22/559653222.db2.gz DPXNFEOAZCTEDT-RDBSUJKOSA-N 1 0 357.414 2.226 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424309598 559661223 /nfs/dbraw/zinc/66/12/23/559661223.db2.gz AVDBQUDKYQFHSH-RYUDHWBXSA-N 1 0 351.428 2.203 20 5 FEBDRO CS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)c([N+](=O)[O-])c1 ZINC000424352015 559661876 /nfs/dbraw/zinc/66/18/76/559661876.db2.gz XNASLEFDAORZAU-UHFFFAOYSA-N 1 0 366.399 2.166 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466533 559703689 /nfs/dbraw/zinc/70/36/89/559703689.db2.gz BEGDHFNTIPNEDS-NEPJUHHUSA-N 1 0 356.220 2.362 20 5 FEBDRO COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000425948748 559725869 /nfs/dbraw/zinc/72/58/69/559725869.db2.gz BUMZLLZZJMAOKO-CQSZACIVSA-N 1 0 365.430 2.345 20 5 FEBDRO COCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000425954752 559725906 /nfs/dbraw/zinc/72/59/06/559725906.db2.gz XASOBTSPFYZIPL-LSDHHAIUSA-N 1 0 352.435 2.308 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426264751 559731940 /nfs/dbraw/zinc/73/19/40/559731940.db2.gz RKLRCCRSQAYIEH-NILFDRSVSA-N 1 0 351.403 2.166 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000427575494 559758251 /nfs/dbraw/zinc/75/82/51/559758251.db2.gz UZYWEPNXVRYNGS-SJKOYZFVSA-N 1 0 371.441 2.184 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC1CC[NH+](C2CC2)CC1 ZINC000427938088 559765657 /nfs/dbraw/zinc/76/56/57/559765657.db2.gz NDZARAGKUNJMDP-UHFFFAOYSA-N 1 0 370.409 2.265 20 5 FEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000428951291 559786564 /nfs/dbraw/zinc/78/65/64/559786564.db2.gz ISYYQGDTSKJBNX-PWSUYJOCSA-N 1 0 370.247 2.404 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999085 559787792 /nfs/dbraw/zinc/78/77/92/559787792.db2.gz RZQLDYXJVNAMAG-RVKKMQEKSA-N 1 0 360.458 2.220 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)c(C)c1[N+](=O)[O-] ZINC000429109052 559790937 /nfs/dbraw/zinc/79/09/37/559790937.db2.gz YKHNCWHFWAGPDG-HNNXBMFYSA-N 1 0 371.441 2.186 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000429134382 559791569 /nfs/dbraw/zinc/79/15/69/559791569.db2.gz QNOHGHJSKNBARF-BXKDBHETSA-N 1 0 361.320 2.345 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000429502225 559800054 /nfs/dbraw/zinc/80/00/54/559800054.db2.gz HJNPBLDXXYDBKR-ZDUSSCGKSA-N 1 0 370.409 2.051 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433097588 559871707 /nfs/dbraw/zinc/87/17/07/559871707.db2.gz NZHWFNBNEWJZNO-GFCCVEGCSA-N 1 0 371.397 2.455 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[NH2+][C@H](C)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711017 559907227 /nfs/dbraw/zinc/90/72/27/559907227.db2.gz LBRJODUFTYQVDQ-OCCSQVGLSA-N 1 0 371.441 2.279 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240591 559918622 /nfs/dbraw/zinc/91/86/22/559918622.db2.gz BQDPJFDOPLDIEI-ZDUSSCGKSA-N 1 0 353.806 2.370 20 5 FEBDRO COc1cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435381318 559921868 /nfs/dbraw/zinc/92/18/68/559921868.db2.gz WAVBLQPLTYTTOT-QWRGUYRKSA-N 1 0 359.373 2.430 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)Nc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000439114250 559988756 /nfs/dbraw/zinc/98/87/56/559988756.db2.gz BGSCIDFROKODCY-MRXNPFEDSA-N 1 0 373.457 2.287 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000439824347 560000359 /nfs/dbraw/zinc/00/03/59/560000359.db2.gz UTCVOSMTBZSJQT-AWEZNQCLSA-N 1 0 370.331 2.450 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[S@@](=O)c3ccccc3)C2)nc1 ZINC000440502137 560012583 /nfs/dbraw/zinc/01/25/83/560012583.db2.gz GMYOFUKVVFJEKT-DLUDVSRJSA-N 1 0 360.439 2.284 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441642623 560036642 /nfs/dbraw/zinc/03/66/42/560036642.db2.gz HGAVSQZTTNAQME-KBPBESRZSA-N 1 0 361.398 2.251 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442554299 560052819 /nfs/dbraw/zinc/05/28/19/560052819.db2.gz UMVKJMNMBSSMKZ-CKEIUWERSA-N 1 0 374.441 2.397 20 5 FEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cccnn2)CC1 ZINC000444659407 560117859 /nfs/dbraw/zinc/11/78/59/560117859.db2.gz CZDUHMKVYNIVHK-UHFFFAOYSA-N 1 0 367.413 2.362 20 5 FEBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799707 560121130 /nfs/dbraw/zinc/12/11/30/560121130.db2.gz IHLZCTLFQUCWAD-SJLPKXTDSA-N 1 0 368.430 2.138 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NCC1CC[NH+](C2CC2)CC1 ZINC000444873096 560123382 /nfs/dbraw/zinc/12/33/82/560123382.db2.gz KWYAWSFJEXXCJQ-UHFFFAOYSA-N 1 0 355.236 2.461 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000445068340 560127969 /nfs/dbraw/zinc/12/79/69/560127969.db2.gz AYCMPPYXEIJIHT-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1oncc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445790464 560135033 /nfs/dbraw/zinc/13/50/33/560135033.db2.gz PABCJXOSIKRWGQ-UHFFFAOYSA-N 1 0 356.386 2.480 20 5 FEBDRO CCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445986770 560137677 /nfs/dbraw/zinc/13/76/77/560137677.db2.gz YFEGUIVKRBWBHI-UHFFFAOYSA-N 1 0 370.247 2.454 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000446238852 560142364 /nfs/dbraw/zinc/14/23/64/560142364.db2.gz VYUZIHJTBLODLE-HNNXBMFYSA-N 1 0 373.409 2.457 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000446238853 560142400 /nfs/dbraw/zinc/14/24/00/560142400.db2.gz VYUZIHJTBLODLE-OAHLLOKOSA-N 1 0 373.409 2.457 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CCS(=O)(=O)CC2)n1 ZINC000447574809 560164674 /nfs/dbraw/zinc/16/46/74/560164674.db2.gz ORHZELDVMASQBE-LSDHHAIUSA-N 1 0 370.475 2.080 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447933925 560173750 /nfs/dbraw/zinc/17/37/50/560173750.db2.gz YSYWUGPWCGNHDP-HNNXBMFYSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000447946379 560174285 /nfs/dbraw/zinc/17/42/85/560174285.db2.gz UXCWQZNMDCZUPF-OAHLLOKOSA-N 1 0 355.460 2.135 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448600791 560192167 /nfs/dbraw/zinc/19/21/67/560192167.db2.gz LFDXZUULTGVZKI-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448820307 560200854 /nfs/dbraw/zinc/20/08/54/560200854.db2.gz BALNHWNKCDPTHT-ZDUSSCGKSA-N 1 0 357.414 2.447 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156865 560218374 /nfs/dbraw/zinc/21/83/74/560218374.db2.gz TWASIULJGYGGCV-CZUORRHYSA-N 1 0 357.414 2.045 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1OC ZINC000449205205 560220034 /nfs/dbraw/zinc/22/00/34/560220034.db2.gz NJYIYHQEILSHHC-CHWSQXEVSA-N 1 0 363.414 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCC[N@H+]2CCCO)c1 ZINC000449386023 560228373 /nfs/dbraw/zinc/22/83/73/560228373.db2.gz HENZNTADSSGFEC-AWEZNQCLSA-N 1 0 359.373 2.133 20 5 FEBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449463132 560231083 /nfs/dbraw/zinc/23/10/83/560231083.db2.gz WNEXJQBMUCNUHW-PBHICJAKSA-N 1 0 360.414 2.136 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449634432 560235107 /nfs/dbraw/zinc/23/51/07/560235107.db2.gz AIDGZONSHSEXLN-VXGBXAGGSA-N 1 0 351.403 2.249 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449685680 560236863 /nfs/dbraw/zinc/23/68/63/560236863.db2.gz VEFULWRENCUMMB-SFHVURJKSA-N 1 0 364.398 2.149 20 5 FEBDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449761050 560239182 /nfs/dbraw/zinc/23/91/82/560239182.db2.gz UFURWEVWRLIALX-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCC[NH+]1CCOCC1 ZINC000450254903 560255886 /nfs/dbraw/zinc/25/58/86/560255886.db2.gz LBRANLJNXJLEQC-UHFFFAOYSA-N 1 0 360.414 2.098 20 5 FEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000450811620 560274346 /nfs/dbraw/zinc/27/43/46/560274346.db2.gz ODVUICZYUHSKAF-CQSZACIVSA-N 1 0 369.425 2.047 20 5 FEBDRO Nc1c(F)c(N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000450866586 560276134 /nfs/dbraw/zinc/27/61/34/560276134.db2.gz XIZFKYQNKUYIIA-UHFFFAOYSA-N 1 0 352.410 2.255 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451357819 560302531 /nfs/dbraw/zinc/30/25/31/560302531.db2.gz ZAINKDGLENSPAD-KONPQCLYSA-N 1 0 364.442 2.350 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451475784 560309236 /nfs/dbraw/zinc/30/92/36/560309236.db2.gz DELBVUMHRZAPGS-NSNWQYSKSA-N 1 0 350.415 2.128 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451490238 560310118 /nfs/dbraw/zinc/31/01/18/560310118.db2.gz LLDVRNXPCFWRTD-XYPHTWIQSA-N 1 0 373.409 2.440 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451499582 560310647 /nfs/dbraw/zinc/31/06/47/560310647.db2.gz MCCVPBUGMLYZTC-GTTSAUCSSA-N 1 0 351.403 2.191 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000451692573 560322218 /nfs/dbraw/zinc/32/22/18/560322218.db2.gz UPFVNASKULMDKX-AWEZNQCLSA-N 1 0 364.427 2.409 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763679 560327269 /nfs/dbraw/zinc/32/72/69/560327269.db2.gz SXJGBOZAYJOHDX-HOCLYGCPSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836855 560331569 /nfs/dbraw/zinc/33/15/69/560331569.db2.gz HCWHOUZCVOCXHK-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452056785 560348533 /nfs/dbraw/zinc/34/85/33/560348533.db2.gz VAAUDTGNVOKXTH-HZPDHXFCSA-N 1 0 356.444 2.306 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452085354 560350164 /nfs/dbraw/zinc/35/01/64/560350164.db2.gz OBUKXZNUGLNBKL-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452729503 560372456 /nfs/dbraw/zinc/37/24/56/560372456.db2.gz KKEONAZKESPNEF-UHFFFAOYSA-N 1 0 371.441 2.421 20 5 FEBDRO Cc1n[nH]c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452735802 560372481 /nfs/dbraw/zinc/37/24/81/560372481.db2.gz XVTKWXGSATWHCL-UHFFFAOYSA-N 1 0 357.414 2.411 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273283 560384969 /nfs/dbraw/zinc/38/49/69/560384969.db2.gz VOVSCFCLZKNKDG-HOCLYGCPSA-N 1 0 351.447 2.491 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453417745 560386253 /nfs/dbraw/zinc/38/62/53/560386253.db2.gz CIJISGIQASYKGW-UHOFOFEASA-N 1 0 360.414 2.055 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454085212 560427841 /nfs/dbraw/zinc/42/78/41/560427841.db2.gz FFABOZSCUMMMFB-LBPRGKRZSA-N 1 0 368.821 2.128 20 5 FEBDRO CNc1nc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000456032694 560505080 /nfs/dbraw/zinc/50/50/80/560505080.db2.gz BFIQNZFPXKXSPB-UHFFFAOYSA-N 1 0 361.402 2.219 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000456041713 560505297 /nfs/dbraw/zinc/50/52/97/560505297.db2.gz IOUVQBILJOHQOF-CQSZACIVSA-N 1 0 361.377 2.203 20 5 FEBDRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456344643 560516103 /nfs/dbraw/zinc/51/61/03/560516103.db2.gz RSPPUDGJVVLYSX-AWEZNQCLSA-N 1 0 370.409 2.290 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000456703088 560529783 /nfs/dbraw/zinc/52/97/83/560529783.db2.gz WNYMLYXNOWYXIV-UHFFFAOYSA-N 1 0 351.451 2.301 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457083147 560547407 /nfs/dbraw/zinc/54/74/07/560547407.db2.gz XLRNRMVIZYYEIZ-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457109544 560549761 /nfs/dbraw/zinc/54/97/61/560549761.db2.gz HDMLSKCUYYNNCK-INIZCTEOSA-N 1 0 357.414 2.335 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000458155867 560605889 /nfs/dbraw/zinc/60/58/89/560605889.db2.gz BAACTQBYASSBKE-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO C[N@H+](CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000459504877 560690471 /nfs/dbraw/zinc/69/04/71/560690471.db2.gz HWZBMXQSBXRLJM-UHFFFAOYSA-N 1 0 373.432 2.383 20 5 FEBDRO COc1cc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000459777978 560707742 /nfs/dbraw/zinc/70/77/42/560707742.db2.gz OSMLKKMGSVOSOD-UHFFFAOYSA-N 1 0 359.426 2.373 20 5 FEBDRO CO[C@]1(C)C[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819145 560852412 /nfs/dbraw/zinc/85/24/12/560852412.db2.gz AWPXWOJBKRGXRA-QILLFSRXSA-N 1 0 352.431 2.470 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464850811 560853378 /nfs/dbraw/zinc/85/33/78/560853378.db2.gz LCBDPYXQNPUGNS-UKRRQHHQSA-N 1 0 361.398 2.394 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465363847 560864021 /nfs/dbraw/zinc/86/40/21/560864021.db2.gz KYDNLKULLJQVIE-UHFFFAOYSA-N 1 0 361.442 2.241 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000467100363 560903543 /nfs/dbraw/zinc/90/35/43/560903543.db2.gz FYCQLPRIIDZBAK-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127705 560904094 /nfs/dbraw/zinc/90/40/94/560904094.db2.gz HZEHGVMPXSHDCJ-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724296 560916070 /nfs/dbraw/zinc/91/60/70/560916070.db2.gz RWHCHRDSYYAAOE-PBHICJAKSA-N 1 0 372.469 2.410 20 5 FEBDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000468688618 560936175 /nfs/dbraw/zinc/93/61/75/560936175.db2.gz GTXANKKCALDBBF-LBPRGKRZSA-N 1 0 374.397 2.367 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000470170322 560976016 /nfs/dbraw/zinc/97/60/16/560976016.db2.gz SEFOAJXMCXAJJD-LGMDPLHJSA-N 1 0 372.469 2.238 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000474378806 561072639 /nfs/dbraw/zinc/07/26/39/561072639.db2.gz PALJLNHXSCIKLZ-ZDUSSCGKSA-N 1 0 359.382 2.262 20 5 FEBDRO COCC1(C)CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475090995 561090013 /nfs/dbraw/zinc/09/00/13/561090013.db2.gz IHTSLQXKDKQFSV-UHFFFAOYSA-N 1 0 366.414 2.395 20 5 FEBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475112126 561090643 /nfs/dbraw/zinc/09/06/43/561090643.db2.gz DNHBOEONXADJJI-GOSISDBHSA-N 1 0 366.414 2.131 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2CSC)cc1[N+](=O)[O-] ZINC000475697619 561102616 /nfs/dbraw/zinc/10/26/16/561102616.db2.gz HCJCVYDBGGRQDX-ZDUSSCGKSA-N 1 0 354.428 2.474 20 5 FEBDRO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713749 561102973 /nfs/dbraw/zinc/10/29/73/561102973.db2.gz KEPXMCPNHMCSHP-ZFWWWQNUSA-N 1 0 365.430 2.061 20 5 FEBDRO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713747 561103088 /nfs/dbraw/zinc/10/30/88/561103088.db2.gz KEPXMCPNHMCSHP-UKRRQHHQSA-N 1 0 365.430 2.061 20 5 FEBDRO C[NH+](C)CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000476817707 561129112 /nfs/dbraw/zinc/12/91/12/561129112.db2.gz LZICOWVWOFXHHE-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530386899 562409395 /nfs/dbraw/zinc/40/93/95/562409395.db2.gz OCGLZOATSOEDNB-DABQJJPHSA-N 1 0 352.387 2.192 20 5 FEBDRO CC(C)[NH+](CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(C)C ZINC000532164980 562469314 /nfs/dbraw/zinc/46/93/14/562469314.db2.gz XIWYRTUBZIETST-UHFFFAOYSA-N 1 0 372.491 2.376 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000532943704 562493385 /nfs/dbraw/zinc/49/33/85/562493385.db2.gz AMKDDVZINYCRPQ-AWEZNQCLSA-N 1 0 362.430 2.209 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000534827450 562543220 /nfs/dbraw/zinc/54/32/20/562543220.db2.gz LQMVHANPGMFOEJ-HZPDHXFCSA-N 1 0 366.487 2.291 20 5 FEBDRO C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162334 562586797 /nfs/dbraw/zinc/58/67/97/562586797.db2.gz VDROBVQRGMRBBA-FOIQADDNSA-N 1 0 369.421 2.409 20 5 FEBDRO O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000537174733 562587118 /nfs/dbraw/zinc/58/71/18/562587118.db2.gz ZRNSFHZTHCBUQW-UHFFFAOYSA-N 1 0 372.425 2.370 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228010 562606421 /nfs/dbraw/zinc/60/64/21/562606421.db2.gz CRHPKOWRJSNLGJ-CZUORRHYSA-N 1 0 357.414 2.170 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000604552764 568313073 /nfs/dbraw/zinc/31/30/73/568313073.db2.gz URAIPFAJZSOUOY-LBPRGKRZSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1cc(F)cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569448521 568402769 /nfs/dbraw/zinc/40/27/69/568402769.db2.gz CXMZYUJFDHTDNO-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569676460 568418150 /nfs/dbraw/zinc/41/81/50/568418150.db2.gz ICPSWJUSNHRTFC-GJZGRUSLSA-N 1 0 362.430 2.005 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000570501125 568488872 /nfs/dbraw/zinc/48/88/72/568488872.db2.gz JQDJPYLMUZQGCM-SJORKVTESA-N 1 0 362.430 2.023 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000736650641 598465821 /nfs/dbraw/zinc/46/58/21/598465821.db2.gz GDDPTNAFFMZAMY-UHFFFAOYSA-N 1 0 354.370 2.463 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000557673893 674460190 /nfs/dbraw/zinc/46/01/90/674460190.db2.gz MFEVFAZLWFFNMJ-ZDUSSCGKSA-N 1 0 350.419 2.617 20 5 FEBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821813913 599452378 /nfs/dbraw/zinc/45/23/78/599452378.db2.gz PAGLJJTURIOQPU-UHFFFAOYSA-N 1 0 354.370 2.116 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629593 607472401 /nfs/dbraw/zinc/47/24/01/607472401.db2.gz BEHORQWAKYRJBQ-DZGCQCFKSA-N 1 0 369.429 2.228 20 5 FEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809823337 674513052 /nfs/dbraw/zinc/51/30/52/674513052.db2.gz LQBPDBAPLWJPLI-UHFFFAOYSA-N 1 0 367.830 2.350 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000559140168 674529580 /nfs/dbraw/zinc/52/95/80/674529580.db2.gz GJPBWGREAOZOOA-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1F)C1CC[NH+](C)CC1 ZINC000813291203 674734080 /nfs/dbraw/zinc/73/40/80/674734080.db2.gz DNAUUDOCNRHICY-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCSc2ccc(F)cc2)c1 ZINC000564845392 675067400 /nfs/dbraw/zinc/06/74/00/675067400.db2.gz XGCTWOWXBPYWDO-AWEZNQCLSA-N 1 0 354.407 2.063 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077815695 670575901 /nfs/dbraw/zinc/57/59/01/670575901.db2.gz LSDUTBCWZYGHHP-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000570292142 670691825 /nfs/dbraw/zinc/69/18/25/670691825.db2.gz HZNHOVUAMRDYDR-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000092993559 670746828 /nfs/dbraw/zinc/74/68/28/670746828.db2.gz YMYZQIAZQFOJAM-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000571313540 670854108 /nfs/dbraw/zinc/85/41/08/670854108.db2.gz GREUOATVLDGZFQ-BWACUDIHSA-N 1 0 367.471 2.339 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113198185 670881053 /nfs/dbraw/zinc/88/10/53/670881053.db2.gz FBBAXGBJRAKIEC-ZDUSSCGKSA-N 1 0 353.394 2.493 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401826 670997792 /nfs/dbraw/zinc/99/77/92/670997792.db2.gz JQZUQZCVDGNREO-ZIAGYGMSSA-N 1 0 367.471 2.450 20 5 FEBDRO CN1CC[NH+](CCCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000572939741 671062248 /nfs/dbraw/zinc/06/22/48/671062248.db2.gz BHOODURIASWDJC-UHFFFAOYSA-N 1 0 361.368 2.448 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000573640635 671146346 /nfs/dbraw/zinc/14/63/46/671146346.db2.gz GARFZWSEYAOOSQ-QAPCUYQASA-N 1 0 350.415 2.227 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000817863484 675183487 /nfs/dbraw/zinc/18/34/87/675183487.db2.gz BVWBIFIQLIHMON-GMTAPVOTSA-N 1 0 361.851 2.242 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000818000018 675189584 /nfs/dbraw/zinc/18/95/84/675189584.db2.gz CPVCWOAMOYXSOV-IUODEOHRSA-N 1 0 351.378 2.103 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000818010225 675190616 /nfs/dbraw/zinc/19/06/16/675190616.db2.gz JSLUBWUVFLSISA-GOEBONIOSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c([N+](=O)[O-])cc1F ZINC000575775174 671319922 /nfs/dbraw/zinc/31/99/22/671319922.db2.gz CBCZQOCEGDGCAY-SJORKVTESA-N 1 0 354.378 2.152 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000576300362 671358838 /nfs/dbraw/zinc/35/88/38/671358838.db2.gz DUIDMJWCIDMWOC-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000608862298 675905864 /nfs/dbraw/zinc/90/58/64/675905864.db2.gz BIEBWSCLSPTTGI-LLVKDONJSA-N 1 0 350.371 2.235 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000609189061 675913390 /nfs/dbraw/zinc/91/33/90/675913390.db2.gz JFQGDWJSSGEHGK-ZDUSSCGKSA-N 1 0 355.460 2.112 20 5 FEBDRO CSC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000577430974 671595388 /nfs/dbraw/zinc/59/53/88/671595388.db2.gz NKWPFLQWCICSGR-UHFFFAOYSA-N 1 0 351.472 2.389 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000609352629 675920080 /nfs/dbraw/zinc/92/00/80/675920080.db2.gz AZBRTIZCHNCIHY-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000578009289 671634208 /nfs/dbraw/zinc/63/42/08/671634208.db2.gz NWDMYPIZXWJZKB-CABCVRRESA-N 1 0 353.444 2.062 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000578189916 671647689 /nfs/dbraw/zinc/64/76/89/671647689.db2.gz ICWGYPWQKIFFRJ-UHFFFAOYSA-N 1 0 367.471 2.310 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000578707656 671684068 /nfs/dbraw/zinc/68/40/68/671684068.db2.gz TYELMKURALBCDZ-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CC[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Cl)c1 ZINC000580769568 671831287 /nfs/dbraw/zinc/83/12/87/671831287.db2.gz VYUGTVJVAUZWPF-GJZGRUSLSA-N 1 0 368.821 2.253 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000580773901 671831923 /nfs/dbraw/zinc/83/19/23/671831923.db2.gz MQOWHVGHXBULHA-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)c1 ZINC000581467098 671899584 /nfs/dbraw/zinc/89/95/84/671899584.db2.gz BECDLLACIFUOMH-NSHDSACASA-N 1 0 359.213 2.291 20 5 FEBDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581571314 671912722 /nfs/dbraw/zinc/91/27/22/671912722.db2.gz IFFCTPDXTVSUNA-CQSZACIVSA-N 1 0 369.487 2.477 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000581617285 671918482 /nfs/dbraw/zinc/91/84/82/671918482.db2.gz NVEPSZJYZPQYOY-AWEZNQCLSA-N 1 0 351.447 2.081 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261711 675962198 /nfs/dbraw/zinc/96/21/98/675962198.db2.gz ZJOZYAZKSCJUOO-CHWSQXEVSA-N 1 0 370.475 2.025 20 5 FEBDRO Cc1cc(NC(=O)CC[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000582482792 672005852 /nfs/dbraw/zinc/00/58/52/672005852.db2.gz WDOWUDJNGWFKID-UHFFFAOYSA-N 1 0 352.778 2.706 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000582498827 672007593 /nfs/dbraw/zinc/00/75/93/672007593.db2.gz XIAJPTNYWWKNTO-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CC2)CC1 ZINC000126058083 672020073 /nfs/dbraw/zinc/02/00/73/672020073.db2.gz GENNBFZBUPAJSW-LLVKDONJSA-N 1 0 352.822 2.355 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000583081534 672061995 /nfs/dbraw/zinc/06/19/95/672061995.db2.gz TVTLWSJWVDEPJZ-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO CC(=O)OC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000129391834 672062041 /nfs/dbraw/zinc/06/20/41/672062041.db2.gz DLYZTCLFXNTVIP-UHFFFAOYSA-N 1 0 353.350 2.090 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000583316796 672083830 /nfs/dbraw/zinc/08/38/30/672083830.db2.gz HSBMQLVZQPJFPX-CYBMUJFWSA-N 1 0 367.471 2.310 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610576881 675982537 /nfs/dbraw/zinc/98/25/37/675982537.db2.gz AOJNINISAGNYMQ-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000583991868 672145458 /nfs/dbraw/zinc/14/54/58/672145458.db2.gz ANSMDVZIPWHZDD-PBHICJAKSA-N 1 0 368.455 2.260 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000584287179 672173342 /nfs/dbraw/zinc/17/33/42/672173342.db2.gz WLFNFCROXKOHBF-CQSZACIVSA-N 1 0 368.455 2.307 20 5 FEBDRO CSC1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000584324530 672176775 /nfs/dbraw/zinc/17/67/75/672176775.db2.gz SUNOYKJDLIRSEB-UHFFFAOYSA-N 1 0 352.460 2.221 20 5 FEBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000584587679 672202368 /nfs/dbraw/zinc/20/23/68/672202368.db2.gz VPYHKTYFDUBRGH-KOLCDFICSA-N 1 0 360.336 2.140 20 5 FEBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000584587680 672202380 /nfs/dbraw/zinc/20/23/80/672202380.db2.gz VPYHKTYFDUBRGH-MWLCHTKSSA-N 1 0 360.336 2.140 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000610719349 675991507 /nfs/dbraw/zinc/99/15/07/675991507.db2.gz JGDREONZZXAYLB-AWEZNQCLSA-N 1 0 350.419 2.277 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000610800473 675997715 /nfs/dbraw/zinc/99/77/15/675997715.db2.gz WSVPZMKMALSFEI-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H](Cn1ccnc1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159064639 672276872 /nfs/dbraw/zinc/27/68/72/672276872.db2.gz IKYLLIYNLMQBKI-SECBINFHSA-N 1 0 353.176 2.372 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CCc2cncn2C1 ZINC000587036169 672439994 /nfs/dbraw/zinc/43/99/94/672439994.db2.gz MBUISCGLCRUHBZ-ZYHUDNBSSA-N 1 0 364.789 2.343 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000588996527 672498349 /nfs/dbraw/zinc/49/83/49/672498349.db2.gz BMLGWKZCRXAZEU-RYUDHWBXSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000589930768 672548805 /nfs/dbraw/zinc/54/88/05/672548805.db2.gz IOWVEDNXOKZCHZ-ZDUSSCGKSA-N 1 0 367.471 2.398 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590371040 672575133 /nfs/dbraw/zinc/57/51/33/672575133.db2.gz DWRIYBCGCQIVNV-CYBMUJFWSA-N 1 0 367.471 2.282 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565850 672590314 /nfs/dbraw/zinc/59/03/14/672590314.db2.gz RLHLYXCWGVHNLM-ZFWWWQNUSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590589141 672593193 /nfs/dbraw/zinc/59/31/93/672593193.db2.gz MDOYPANPZNEPBM-ZWNOBZJWSA-N 1 0 361.851 2.270 20 5 FEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513843 676041897 /nfs/dbraw/zinc/04/18/97/676041897.db2.gz MXOWODYPZLWHJG-NSHDSACASA-N 1 0 355.341 2.410 20 5 FEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000591668750 672699509 /nfs/dbraw/zinc/69/95/09/672699509.db2.gz YSSFKFKULXDDDF-LBPRGKRZSA-N 1 0 356.373 2.066 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1OC ZINC000591676189 672700568 /nfs/dbraw/zinc/70/05/68/672700568.db2.gz DVMXAQUZXPCNAA-SMDDNHRTSA-N 1 0 351.403 2.202 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591686016 672701695 /nfs/dbraw/zinc/70/16/95/672701695.db2.gz LNPICKQSSZARFW-IINYFYTJSA-N 1 0 353.806 2.274 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000591770316 672709864 /nfs/dbraw/zinc/70/98/64/672709864.db2.gz RRWVPVSWNZQKJH-ZBFHGGJFSA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1C ZINC000193907945 672740673 /nfs/dbraw/zinc/74/06/73/672740673.db2.gz KFXJBKNAJBELFB-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356610 672791372 /nfs/dbraw/zinc/79/13/72/672791372.db2.gz ANFSNRSZWGVOGR-NXEZZACHSA-N 1 0 363.399 2.441 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000592475603 672807545 /nfs/dbraw/zinc/80/75/45/672807545.db2.gz QHOZOCQCFJYLKE-GFCCVEGCSA-N 1 0 358.364 2.345 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCCC[C@H]2C(=O)OC)c1 ZINC000593030062 672865727 /nfs/dbraw/zinc/86/57/27/672865727.db2.gz JNTHKXMHNATVMT-KGLIPLIRSA-N 1 0 350.371 2.203 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593731090 672984454 /nfs/dbraw/zinc/98/44/54/672984454.db2.gz RBJGVVSLWXRFGX-NHYWBVRUSA-N 1 0 355.460 2.350 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH2+]CC2)cc1SC ZINC000593918494 673008235 /nfs/dbraw/zinc/00/82/35/673008235.db2.gz DZMIFVRXHOMHCW-UHFFFAOYSA-N 1 0 353.444 2.445 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594483456 673087172 /nfs/dbraw/zinc/08/71/72/673087172.db2.gz KVGLFKPXVKGNAN-IRXDYDNUSA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594483753 673088040 /nfs/dbraw/zinc/08/80/40/673088040.db2.gz PEBSZJHJPCASEI-HOTGVXAUSA-N 1 0 353.444 2.031 20 5 FEBDRO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC(C)(C)C ZINC000594517313 673095138 /nfs/dbraw/zinc/09/51/38/673095138.db2.gz AARHFUKDEOYGFH-NSHDSACASA-N 1 0 352.387 2.433 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789657 673142923 /nfs/dbraw/zinc/14/29/23/673142923.db2.gz JLZWHIJASOWPEY-NSHDSACASA-N 1 0 359.423 2.133 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594793040 673144649 /nfs/dbraw/zinc/14/46/49/673144649.db2.gz SSFMCAHXRXWEFD-LBPRGKRZSA-N 1 0 371.459 2.002 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594853975 673164412 /nfs/dbraw/zinc/16/44/12/673164412.db2.gz BZCAXDBSOMFSIH-OAHLLOKOSA-N 1 0 367.471 2.421 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000594854674 673165507 /nfs/dbraw/zinc/16/55/07/673165507.db2.gz VGFVTSOXPWAHLQ-ZDUSSCGKSA-N 1 0 353.444 2.280 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595112506 673194951 /nfs/dbraw/zinc/19/49/51/673194951.db2.gz CMFPVVZREJFVST-BXUZGUMPSA-N 1 0 355.460 2.350 20 5 FEBDRO CO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1 ZINC000595330328 673225956 /nfs/dbraw/zinc/22/59/56/673225956.db2.gz JHBADRZZMRWDDA-KDOFPFPSSA-N 1 0 350.415 2.490 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409661 673245377 /nfs/dbraw/zinc/24/53/77/673245377.db2.gz FMNNHMUDPJJDHB-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+](C)[C@@H](C)CC ZINC000596107546 673359249 /nfs/dbraw/zinc/35/92/49/673359249.db2.gz YBRSXENBOVSPIW-ZDUSSCGKSA-N 1 0 372.491 2.425 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000732568061 673372379 /nfs/dbraw/zinc/37/23/79/673372379.db2.gz HQPGGIMEZDZYRF-LBPRGKRZSA-N 1 0 352.391 2.446 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733159662 673400944 /nfs/dbraw/zinc/40/09/44/673400944.db2.gz WBNTYYNLVSIFCF-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000538116774 673422516 /nfs/dbraw/zinc/42/25/16/673422516.db2.gz MXUIZIQERGDMDC-UONOGXRCSA-N 1 0 353.444 2.041 20 5 FEBDRO CC(C)c1ccc(CN(CC[NH+](C)C)CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000597206774 673456732 /nfs/dbraw/zinc/45/67/32/673456732.db2.gz VQEZPLQRVDJYQI-UHFFFAOYSA-N 1 0 350.463 2.170 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000539040515 673471464 /nfs/dbraw/zinc/47/14/64/673471464.db2.gz GOPQZVMSWWMEAT-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540144801 673525621 /nfs/dbraw/zinc/52/56/21/673525621.db2.gz PSMOLNPZGMAKNA-CVEARBPZSA-N 1 0 355.460 2.287 20 5 FEBDRO Nc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598220070 673549637 /nfs/dbraw/zinc/54/96/37/673549637.db2.gz OVICKLZBEXGGHD-LBPRGKRZSA-N 1 0 350.394 2.453 20 5 FEBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541389778 673552163 /nfs/dbraw/zinc/55/21/63/673552163.db2.gz LFAHBNBZRMVITJ-UONOGXRCSA-N 1 0 355.460 2.289 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000541647493 673554538 /nfs/dbraw/zinc/55/45/38/673554538.db2.gz RSOGLPYGSSAAOK-QWHCGFSZSA-N 1 0 351.403 2.337 20 5 FEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000598343059 673561316 /nfs/dbraw/zinc/56/13/16/673561316.db2.gz PZWZYDQDKCWVPM-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000542248588 673569814 /nfs/dbraw/zinc/56/98/14/673569814.db2.gz ZNZYZVKBXDNOJC-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613927 673590847 /nfs/dbraw/zinc/59/08/47/673590847.db2.gz ZVTCWBCAYFIKEG-JSGCOSHPSA-N 1 0 355.460 2.315 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598667481 673596156 /nfs/dbraw/zinc/59/61/56/673596156.db2.gz IQWBSJAFAYXOLI-YMTOWFKASA-N 1 0 354.204 2.311 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000542750937 673601914 /nfs/dbraw/zinc/60/19/14/673601914.db2.gz PUAKFKXIECOEJO-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598715277 673602586 /nfs/dbraw/zinc/60/25/86/673602586.db2.gz NXSXHNVIACRXPN-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182780 673631403 /nfs/dbraw/zinc/63/14/03/673631403.db2.gz XWRBVTKJIHCTFR-NDMJEZRESA-N 1 0 358.341 2.408 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182782 673631487 /nfs/dbraw/zinc/63/14/87/673631487.db2.gz XWRBVTKJIHCTFR-XHVZSJERSA-N 1 0 358.341 2.408 20 5 FEBDRO CCC(CC)[NH2+]CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000599097682 673632899 /nfs/dbraw/zinc/63/28/99/673632899.db2.gz LFDGBAGGVBMEIS-UHFFFAOYSA-N 1 0 358.464 2.035 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599390238 673667906 /nfs/dbraw/zinc/66/79/06/673667906.db2.gz IOGGYSWMLPGZOD-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599464619 673678561 /nfs/dbraw/zinc/67/85/61/673678561.db2.gz OKJPUZUKDCTIOW-AWEZNQCLSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599691432 673707111 /nfs/dbraw/zinc/70/71/11/673707111.db2.gz BUVQLQWSKQRGIQ-LBPRGKRZSA-N 1 0 352.341 2.099 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000599918022 673727752 /nfs/dbraw/zinc/72/77/52/673727752.db2.gz MQUPKYXVWISVOT-AWEZNQCLSA-N 1 0 352.822 2.375 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000600213991 673749660 /nfs/dbraw/zinc/74/96/60/673749660.db2.gz SKUUIMCLIMSXCK-OAHLLOKOSA-N 1 0 369.487 2.479 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743387600 673758214 /nfs/dbraw/zinc/75/82/14/673758214.db2.gz LIAIWGZUGHUSTJ-LLVKDONJSA-N 1 0 360.256 2.175 20 5 FEBDRO COc1ccc(OCCN2CCCC[C@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000743846734 673773623 /nfs/dbraw/zinc/77/36/23/673773623.db2.gz VRBDDGMUYBAIOP-AWEZNQCLSA-N 1 0 352.387 2.210 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601341988 673845144 /nfs/dbraw/zinc/84/51/44/673845144.db2.gz NORAGMMXLSBKAO-CHWSQXEVSA-N 1 0 371.434 2.053 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601354477 673846861 /nfs/dbraw/zinc/84/68/61/673846861.db2.gz PGZDQRILYWUKHK-ZDUSSCGKSA-N 1 0 371.434 2.149 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601360306 673848092 /nfs/dbraw/zinc/84/80/92/673848092.db2.gz ZOCGDGMQDRZREL-LBPRGKRZSA-N 1 0 361.489 2.317 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375553 673851171 /nfs/dbraw/zinc/85/11/71/673851171.db2.gz XPJRTNURKPBGLM-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000601967028 673900551 /nfs/dbraw/zinc/90/05/51/673900551.db2.gz HLWMNXXFFQLYQE-SNVBAGLBSA-N 1 0 350.322 2.022 20 5 FEBDRO COc1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OCC(F)F ZINC000602019531 673901561 /nfs/dbraw/zinc/90/15/61/673901561.db2.gz FYFPPDJRAZMINC-TXEJJXNPSA-N 1 0 357.357 2.184 20 5 FEBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602534916 673907302 /nfs/dbraw/zinc/90/73/02/673907302.db2.gz VMHUFYYLXRYYND-GFCCVEGCSA-N 1 0 354.204 2.372 20 5 FEBDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000602532893 673907440 /nfs/dbraw/zinc/90/74/40/673907440.db2.gz NXNYGYZAYQOYIM-QMMMGPOBSA-N 1 0 372.248 2.423 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CCNc2cnccn2)cc1Br ZINC000602569056 673908067 /nfs/dbraw/zinc/90/80/67/673908067.db2.gz PUYGTRWYGFZZNM-UHFFFAOYSA-N 1 0 358.221 2.411 20 5 FEBDRO C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000602551762 673908095 /nfs/dbraw/zinc/90/80/95/673908095.db2.gz DYTFVXBRFPTLNA-MWLCHTKSSA-N 1 0 356.220 2.157 20 5 FEBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602706283 673910335 /nfs/dbraw/zinc/91/03/35/673910335.db2.gz KHMRDBTVYXDRKV-JCIOZEIESA-N 1 0 366.487 2.238 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926738 673913906 /nfs/dbraw/zinc/91/39/06/673913906.db2.gz WUTJTRBSDQFMKS-ZDUSSCGKSA-N 1 0 358.320 2.442 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000603239383 673919739 /nfs/dbraw/zinc/91/97/39/673919739.db2.gz HBIWSBQWCRRDOR-SNVBAGLBSA-N 1 0 366.219 2.149 20 5 FEBDRO CCC(CC)(CCO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000548938905 674007494 /nfs/dbraw/zinc/00/74/94/674007494.db2.gz OINUXDKIZKUVFU-UHFFFAOYSA-N 1 0 351.403 2.424 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000615422329 676214860 /nfs/dbraw/zinc/21/48/60/676214860.db2.gz RRXWXOZVMKQCOV-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@@H](COc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818970669 675248059 /nfs/dbraw/zinc/24/80/59/675248059.db2.gz XRDMOKVDZVMFCX-AWEZNQCLSA-N 1 0 364.423 2.426 20 5 FEBDRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819197603 675268929 /nfs/dbraw/zinc/26/89/29/675268929.db2.gz LFCAAIWDQVMIQK-OAHLLOKOSA-N 1 0 351.403 2.085 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1 ZINC000819246668 675273853 /nfs/dbraw/zinc/27/38/53/675273853.db2.gz ONGRFBJREOFJES-HNNXBMFYSA-N 1 0 361.364 2.492 20 5 FEBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587956 675304437 /nfs/dbraw/zinc/30/44/37/675304437.db2.gz DKYDAFWEIMBHGK-KCJUWKMLSA-N 1 0 362.167 2.466 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000821051336 675409552 /nfs/dbraw/zinc/40/95/52/675409552.db2.gz AODNBYNCSWHYKQ-ZDUSSCGKSA-N 1 0 369.849 2.144 20 5 FEBDRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000822138589 675470514 /nfs/dbraw/zinc/47/05/14/675470514.db2.gz KDBKJGRTBCZUBE-UHFFFAOYSA-N 1 0 357.208 2.383 20 5 FEBDRO C[C@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000822463877 675486515 /nfs/dbraw/zinc/48/65/15/675486515.db2.gz JZXPJRACESBXOC-QWHCGFSZSA-N 1 0 353.423 2.169 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000827291836 675745951 /nfs/dbraw/zinc/74/59/51/675745951.db2.gz XHEDFCDQPIWSDH-GWCFXTLKSA-N 1 0 355.341 2.362 20 5 FEBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000603417341 675798730 /nfs/dbraw/zinc/79/87/30/675798730.db2.gz FYGUQZHYBWNJQU-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000615833503 676231450 /nfs/dbraw/zinc/23/14/50/676231450.db2.gz UNCQMXXKVDNNJO-JLHYYAGUSA-N 1 0 353.444 2.012 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000617239740 676276446 /nfs/dbraw/zinc/27/64/46/676276446.db2.gz ACCHJZNEZDABPG-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000619477713 676379315 /nfs/dbraw/zinc/37/93/15/676379315.db2.gz FARZBSOBQUHLOK-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000619498492 676381903 /nfs/dbraw/zinc/38/19/03/676381903.db2.gz MRKOBBUYQYPGMK-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO CN1CCC[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150774 677027619 /nfs/dbraw/zinc/02/76/19/677027619.db2.gz NFVIVXVSIWNVHQ-QMMMGPOBSA-N 1 0 368.242 2.274 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000830277368 677033136 /nfs/dbraw/zinc/03/31/36/677033136.db2.gz KDUHVFRYPZOBTK-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC12CCOCC2 ZINC000841010180 680859325 /nfs/dbraw/zinc/85/93/25/680859325.db2.gz CBKYCBFXOGOYOW-LLVKDONJSA-N 1 0 368.821 2.467 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C[NH+](C)C ZINC000831738859 680035741 /nfs/dbraw/zinc/03/57/41/680035741.db2.gz SLLJUFOBRLSMQD-CYBMUJFWSA-N 1 0 363.336 2.310 20 5 FEBDRO CNC(=O)c1ccc(N2CCC(N(C)CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000749288180 680036314 /nfs/dbraw/zinc/03/63/14/680036314.db2.gz XKJIDNNKUYNWIM-UHFFFAOYSA-N 1 0 356.373 2.120 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140713 680100948 /nfs/dbraw/zinc/10/09/48/680100948.db2.gz VKERKRQCXXJMJN-AAVRWANBSA-N 1 0 357.332 2.107 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000752234501 680231239 /nfs/dbraw/zinc/23/12/39/680231239.db2.gz IJLISLBOKIKLHE-STQMWFEESA-N 1 0 373.862 2.462 20 5 FEBDRO COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccc1Cl ZINC000996428876 680332228 /nfs/dbraw/zinc/33/22/28/680332228.db2.gz KGOZTFFUUYUXMI-UKRRQHHQSA-N 1 0 367.833 2.094 20 5 FEBDRO O=C(NC1(C2CCN(C/C(Cl)=C\Cl)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153084 680421510 /nfs/dbraw/zinc/42/15/10/680421510.db2.gz IEDZMYWWZWIAJQ-NALFIARHSA-N 1 0 362.257 2.331 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599891 680487908 /nfs/dbraw/zinc/48/79/08/680487908.db2.gz NXCDEPPRRCFAMF-NSHDSACASA-N 1 0 356.810 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1Cl ZINC000836864579 680524933 /nfs/dbraw/zinc/52/49/33/680524933.db2.gz KYNXTUSOPKHSLV-TXEJJXNPSA-N 1 0 355.822 2.084 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842482341 680950040 /nfs/dbraw/zinc/95/00/40/680950040.db2.gz QUFAHHGVLMMSNY-JSGCOSHPSA-N 1 0 371.434 2.195 20 5 FEBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842860952 680971878 /nfs/dbraw/zinc/97/18/78/680971878.db2.gz XNZVJFWBUDTPLM-LBPRGKRZSA-N 1 0 364.427 2.035 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000842863014 680972023 /nfs/dbraw/zinc/97/20/23/680972023.db2.gz DKQGZEIASBXJMF-XYPYZODXSA-N 1 0 361.851 2.292 20 5 FEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000842914783 680975237 /nfs/dbraw/zinc/97/52/37/680975237.db2.gz HHBNJCKQXINVFT-UHFFFAOYSA-N 1 0 369.365 2.411 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[NH+](CCCCO)CC2)ccc1Br ZINC000769395134 680980756 /nfs/dbraw/zinc/98/07/56/680980756.db2.gz NAOIELBFUYGYSZ-UHFFFAOYSA-N 1 0 372.263 2.247 20 5 FEBDRO Cc1cccc([C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843090251 680987052 /nfs/dbraw/zinc/98/70/52/680987052.db2.gz VUNMYGKEVFTRCT-KRWDZBQOSA-N 1 0 364.423 2.000 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843358406 680999610 /nfs/dbraw/zinc/99/96/10/680999610.db2.gz NHDJPBBGJPQLHJ-LBPRGKRZSA-N 1 0 358.364 2.345 20 5 FEBDRO O=C(CC[NH+]1CCC(C2(O)CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000844362419 681053996 /nfs/dbraw/zinc/05/39/96/681053996.db2.gz CBJIBVSVCIOGFC-UHFFFAOYSA-N 1 0 351.378 2.299 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844373379 681055085 /nfs/dbraw/zinc/05/50/85/681055085.db2.gz LKHFFUOXIAUXNP-INIZCTEOSA-N 1 0 350.806 2.428 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000847183391 681341983 /nfs/dbraw/zinc/34/19/83/681341983.db2.gz JPQTXZIFQXPIIT-TXEJJXNPSA-N 1 0 350.375 2.190 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778320206 681597019 /nfs/dbraw/zinc/59/70/19/681597019.db2.gz RRYWZGOHNYALOZ-LLVKDONJSA-N 1 0 363.443 2.307 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000848792664 681621679 /nfs/dbraw/zinc/62/16/79/681621679.db2.gz AHMIDSJFBNJLKS-CYBMUJFWSA-N 1 0 353.394 2.434 20 5 FEBDRO COc1cc(C(=O)N2CCC(C)([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000913400149 685476297 /nfs/dbraw/zinc/47/62/97/685476297.db2.gz GUKNWMQTLJSASN-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000779872328 681762869 /nfs/dbraw/zinc/76/28/69/681762869.db2.gz AUGIMJHGODDDGE-NWDGAFQWSA-N 1 0 373.862 2.462 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000779872331 681762920 /nfs/dbraw/zinc/76/29/20/681762920.db2.gz AUGIMJHGODDDGE-RYUDHWBXSA-N 1 0 373.862 2.462 20 5 FEBDRO CCS(=O)(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000850555606 681916361 /nfs/dbraw/zinc/91/63/61/681916361.db2.gz HYKOGMOWUPDGBI-UHFFFAOYSA-N 1 0 367.471 2.121 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000851894620 682180037 /nfs/dbraw/zinc/18/00/37/682180037.db2.gz MTSSKUNEBDNCCK-LBPRGKRZSA-N 1 0 359.473 2.057 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719464 682248553 /nfs/dbraw/zinc/24/85/53/682248553.db2.gz ASRDQWQLFGDBAA-DGCLKSJQSA-N 1 0 373.450 2.441 20 5 FEBDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000918351741 685538578 /nfs/dbraw/zinc/53/85/78/685538578.db2.gz NNNBOSSNAVYKKR-GASCZTMLSA-N 1 0 373.862 2.211 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000853966387 682495417 /nfs/dbraw/zinc/49/54/17/682495417.db2.gz UADPINKTWNCMPS-CYBMUJFWSA-N 1 0 370.247 2.393 20 5 FEBDRO COC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000788428417 682529571 /nfs/dbraw/zinc/52/95/71/682529571.db2.gz DXWPQSDGOMQULB-UONOGXRCSA-N 1 0 351.407 2.095 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC000926152005 683083312 /nfs/dbraw/zinc/08/33/12/683083312.db2.gz ZCXNNAJCHKIUJC-INIZCTEOSA-N 1 0 368.455 2.450 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000926150635 683083489 /nfs/dbraw/zinc/08/34/89/683083489.db2.gz MUHNHUIMTCXUEU-WMLDXEAASA-N 1 0 368.455 2.163 20 5 FEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795823645 683095633 /nfs/dbraw/zinc/09/56/33/683095633.db2.gz NXDSAQAOUWHQIP-UHFFFAOYSA-N 1 0 365.814 2.104 20 5 FEBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859532092 683124380 /nfs/dbraw/zinc/12/43/80/683124380.db2.gz UMMLHIWDQTUWGI-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926892856 683184442 /nfs/dbraw/zinc/18/44/42/683184442.db2.gz PCIZBCSZYXBJJF-CHWSQXEVSA-N 1 0 355.460 2.306 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228007 683325328 /nfs/dbraw/zinc/32/53/28/683325328.db2.gz CZMMRTLGEMAFQZ-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000920597778 683354316 /nfs/dbraw/zinc/35/43/16/683354316.db2.gz AMVDPTMFDAKZAM-GDBMZVCRSA-N 1 0 364.471 2.016 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093144 683383136 /nfs/dbraw/zinc/38/31/36/683383136.db2.gz LHLGNXMNNHDKFN-IUODEOHRSA-N 1 0 360.439 2.386 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347727 683394822 /nfs/dbraw/zinc/39/48/22/683394822.db2.gz LLBCLLOYGWXQHN-PLQHRBFRSA-N 1 0 354.378 2.490 20 5 FEBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928440926 683451620 /nfs/dbraw/zinc/45/16/20/683451620.db2.gz ODASTVMLOFCCSM-ZANVPECISA-N 1 0 356.220 2.109 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000863498344 683734677 /nfs/dbraw/zinc/73/46/77/683734677.db2.gz HAPZSGDADIXNTJ-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000930720427 683776222 /nfs/dbraw/zinc/77/62/22/683776222.db2.gz CWOPQLKJWBIIPC-GXFFZTMASA-N 1 0 359.220 2.234 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000866356540 684094280 /nfs/dbraw/zinc/09/42/80/684094280.db2.gz DVVIKKAQFVVHRU-DOMZBBRYSA-N 1 0 373.450 2.069 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000866356543 684094300 /nfs/dbraw/zinc/09/43/00/684094300.db2.gz DVVIKKAQFVVHRU-IUODEOHRSA-N 1 0 373.450 2.069 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866819185 684160238 /nfs/dbraw/zinc/16/02/38/684160238.db2.gz DAEXJDSUTPCGAL-YPMHNXCESA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866819778 684160609 /nfs/dbraw/zinc/16/06/09/684160609.db2.gz KDWGQCIFPARUNB-NEPJUHHUSA-N 1 0 373.862 2.319 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000867620501 684334124 /nfs/dbraw/zinc/33/41/24/684334124.db2.gz NNWOSWWWTNHXGN-UHFFFAOYSA-N 1 0 371.434 2.230 20 5 FEBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000867744543 684370917 /nfs/dbraw/zinc/37/09/17/684370917.db2.gz XIFCVCYBDBNYIA-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO O=C1N(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720208 685008445 /nfs/dbraw/zinc/00/84/45/685008445.db2.gz JSYIGMYEOMDFCW-KBPBESRZSA-N 1 0 362.455 2.479 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000875134091 685738671 /nfs/dbraw/zinc/73/86/71/685738671.db2.gz QZSAEDICUFAIMS-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877369364 686366919 /nfs/dbraw/zinc/36/69/19/686366919.db2.gz YKHZSNTWKCEECA-OIBJUYFYSA-N 1 0 351.712 2.457 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877371769 686367843 /nfs/dbraw/zinc/36/78/43/686367843.db2.gz VNPUWEQBSZOFHJ-OIBJUYFYSA-N 1 0 351.712 2.457 20 5 FEBDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481811 686387546 /nfs/dbraw/zinc/38/75/46/686387546.db2.gz SXRAFDXKZMTDTP-HOTGVXAUSA-N 1 0 352.431 2.057 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000878682918 686634033 /nfs/dbraw/zinc/63/40/33/686634033.db2.gz QLVDIRHYAPEEQB-CABCVRRESA-N 1 0 350.419 2.107 20 5 FEBDRO CC[C@H]1COCCN1CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000878899537 686686571 /nfs/dbraw/zinc/68/65/71/686686571.db2.gz KNMHUMXUOGZFFC-AWEZNQCLSA-N 1 0 350.419 2.444 20 5 FEBDRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000883457084 687634824 /nfs/dbraw/zinc/63/48/24/687634824.db2.gz SSQKPXOWHYVHTM-UHFFFAOYSA-N 1 0 352.822 2.405 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884949579 687971792 /nfs/dbraw/zinc/97/17/92/687971792.db2.gz GTLNJZVOMGSCPG-UONOGXRCSA-N 1 0 353.444 2.062 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000885855125 688169690 /nfs/dbraw/zinc/16/96/90/688169690.db2.gz JQFDEKIHYGYDDI-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899492 688336003 /nfs/dbraw/zinc/33/60/03/688336003.db2.gz MMMKTMFXWBFLMD-HNNXBMFYSA-N 1 0 373.862 2.403 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287070 688577743 /nfs/dbraw/zinc/57/77/43/688577743.db2.gz UBPISWVGJSIBFI-LLVKDONJSA-N 1 0 356.810 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Cl ZINC000889752017 688817376 /nfs/dbraw/zinc/81/73/76/688817376.db2.gz UBPPJLDUVDGNRZ-HUUCEWRRSA-N 1 0 367.833 2.228 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NCC1CC[NH2+]CC1 ZINC000891975688 689134373 /nfs/dbraw/zinc/13/43/73/689134373.db2.gz BBWWFQWQOJEQRM-UHFFFAOYSA-N 1 0 371.235 2.156 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]C1 ZINC000891980992 689135233 /nfs/dbraw/zinc/13/52/33/689135233.db2.gz ZAGWGGIDXUUNQL-JTQLQIEISA-N 1 0 371.235 2.156 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792896 689244496 /nfs/dbraw/zinc/24/44/96/689244496.db2.gz IUQGGHCSXUSJPK-OAHLLOKOSA-N 1 0 368.865 2.281 20 5 FEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135212 689302003 /nfs/dbraw/zinc/30/20/03/689302003.db2.gz NQBDDTISBBFVAB-LRDDRELGSA-N 1 0 354.428 2.453 20 5 FEBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CCCCCO)CC3)sc2c1 ZINC000894964430 689631016 /nfs/dbraw/zinc/63/10/16/689631016.db2.gz QCOWXPCLDZCOTQ-UHFFFAOYSA-N 1 0 350.444 2.489 20 5 FEBDRO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000895611163 689744027 /nfs/dbraw/zinc/74/40/27/689744027.db2.gz SAUODJNHIRLUBL-RISCZKNCSA-N 1 0 359.220 2.498 20 5 FEBDRO COc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Cl)cc1[N+](=O)[O-] ZINC000897220738 689990268 /nfs/dbraw/zinc/99/02/68/689990268.db2.gz YLPKVTJHLHDMCX-QWHCGFSZSA-N 1 0 355.822 2.292 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898118279 690130713 /nfs/dbraw/zinc/13/07/13/690130713.db2.gz FKQIVTBGDNGNRT-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000898422924 690180115 /nfs/dbraw/zinc/18/01/15/690180115.db2.gz NWZQIHPINKQZGW-DYVFJYSZSA-N 1 0 366.439 2.332 20 5 FEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000898634446 690220542 /nfs/dbraw/zinc/22/05/42/690220542.db2.gz WLQVMESYCCNSCD-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000899600832 690385440 /nfs/dbraw/zinc/38/54/40/690385440.db2.gz CFVVLVYEBGQYJR-OAHLLOKOSA-N 1 0 350.444 2.135 20 5 FEBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140994 690850643 /nfs/dbraw/zinc/85/06/43/690850643.db2.gz JNRHBJQJPAKMKI-BLLLJJGKSA-N 1 0 352.387 2.176 20 5 FEBDRO CC(C)O[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000903358002 690884756 /nfs/dbraw/zinc/88/47/56/690884756.db2.gz QYNXEFRISQVZSL-ZOBUZTSGSA-N 1 0 352.435 2.449 20 5 FEBDRO C[C@@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000903370643 690887885 /nfs/dbraw/zinc/88/78/85/690887885.db2.gz JBXJNZVPVOSXKI-GFCCVEGCSA-N 1 0 354.378 2.433 20 5 FEBDRO CC1(C)CO[C@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000905480105 691124212 /nfs/dbraw/zinc/12/42/12/691124212.db2.gz VZDIPRUSTCZEOX-CQSZACIVSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905523064 691132023 /nfs/dbraw/zinc/13/20/23/691132023.db2.gz YYGZYUYGOBRVNQ-CYBMUJFWSA-N 1 0 358.320 2.442 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908441802 691679374 /nfs/dbraw/zinc/67/93/74/691679374.db2.gz DLAYYDSUKVHDIW-UHFFFAOYSA-N 1 0 355.757 2.398 20 5 FEBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC12CCCCC2 ZINC000908570730 691700293 /nfs/dbraw/zinc/70/02/93/691700293.db2.gz LPDULUPIMIYCJA-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)c1 ZINC001164401436 718862205 /nfs/dbraw/zinc/86/22/05/718862205.db2.gz DRVAGNHONRVPCQ-CABZTGNLSA-N 1 0 362.764 2.003 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813583 720088382 /nfs/dbraw/zinc/08/83/82/720088382.db2.gz TYCSHDPPJKJERR-QFBILLFUSA-N 1 0 360.458 2.483 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164930999 721889158 /nfs/dbraw/zinc/88/91/58/721889158.db2.gz DYLNFQHOSTXXTN-QZTJIDSGSA-N 1 0 355.442 2.358 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800309760 674040463 /nfs/dbraw/zinc/04/04/63/674040463.db2.gz RMCLIMNGNUTEEA-YGRLFVJLSA-N 1 0 361.851 2.056 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000012141360 539545703 /nfs/dbraw/zinc/54/57/03/539545703.db2.gz FDAWYIFHCAFFSL-UHFFFAOYSA-N 1 0 359.448 2.001 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(NC(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000030285100 539877261 /nfs/dbraw/zinc/87/72/61/539877261.db2.gz UHRWYAOPSAZNBZ-UHFFFAOYSA-N 1 0 374.441 2.222 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000032297128 539933602 /nfs/dbraw/zinc/93/36/02/539933602.db2.gz IBZQZLBDIFZJOE-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000033093499 539966996 /nfs/dbraw/zinc/96/69/96/539966996.db2.gz JCGZYFWONAVMSA-GFCCVEGCSA-N 1 0 359.430 2.136 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000041716686 540031000 /nfs/dbraw/zinc/03/10/00/540031000.db2.gz NWGCFWCUCCOHHC-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO O=C(NCCCC[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046750462 540269190 /nfs/dbraw/zinc/26/91/90/540269190.db2.gz JMUJSSZXDCGDCP-UHFFFAOYSA-N 1 0 356.810 2.482 20 5 FEBDRO C[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000052795263 540489374 /nfs/dbraw/zinc/48/93/74/540489374.db2.gz CXUXJRMGTLUJJW-UHFFFAOYSA-N 1 0 363.439 2.395 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052931258 540500477 /nfs/dbraw/zinc/50/04/77/540500477.db2.gz NNOBVHMWEZMLAC-OAHLLOKOSA-N 1 0 374.441 2.162 20 5 FEBDRO CNc1ccc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000053990067 540562926 /nfs/dbraw/zinc/56/29/26/540562926.db2.gz GUEYILPDGZLXOK-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000056091107 540701722 /nfs/dbraw/zinc/70/17/22/540701722.db2.gz XIXMMSOTPAARMF-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060318551 540871010 /nfs/dbraw/zinc/87/10/10/540871010.db2.gz RHMLPVISPVYVOA-QGZVFWFLSA-N 1 0 371.441 2.271 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000062120949 541145276 /nfs/dbraw/zinc/14/52/76/541145276.db2.gz RVGUJJVWMJRMLO-OCCSQVGLSA-N 1 0 362.430 2.078 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000063490046 541170566 /nfs/dbraw/zinc/17/05/66/541170566.db2.gz CDQYWWZGWYUPIO-LBPRGKRZSA-N 1 0 351.403 2.072 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000063595667 541174865 /nfs/dbraw/zinc/17/48/65/541174865.db2.gz CUMCBNLWKBFPIT-OAHLLOKOSA-N 1 0 355.398 2.193 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000063694937 541179493 /nfs/dbraw/zinc/17/94/93/541179493.db2.gz SUSWPEQFEVFWAJ-CQSZACIVSA-N 1 0 372.429 2.026 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000065674860 541252165 /nfs/dbraw/zinc/25/21/65/541252165.db2.gz ZDRMXGGLAYCDLY-STQMWFEESA-N 1 0 363.414 2.216 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066327449 541302659 /nfs/dbraw/zinc/30/26/59/541302659.db2.gz HQPFPBGKXDYVIQ-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000066611771 541345987 /nfs/dbraw/zinc/34/59/87/541345987.db2.gz PRYPMRLBDLOVLH-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000066614312 541347071 /nfs/dbraw/zinc/34/70/71/541347071.db2.gz NZTYZPMOXMLUQV-STQMWFEESA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1c(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067536957 541476455 /nfs/dbraw/zinc/47/64/55/541476455.db2.gz OJDPVQQPJLRECN-CQSZACIVSA-N 1 0 350.419 2.118 20 5 FEBDRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000068576358 541611641 /nfs/dbraw/zinc/61/16/41/541611641.db2.gz XESSUUWQPDCTJD-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1cc(OCC(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000069125843 541661668 /nfs/dbraw/zinc/66/16/68/541661668.db2.gz KNWTXGBIKNUAPT-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440075 541687204 /nfs/dbraw/zinc/68/72/04/541687204.db2.gz KEQOGBVAJAOZAR-CQSZACIVSA-N 1 0 350.419 2.005 20 5 FEBDRO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000074324099 542070038 /nfs/dbraw/zinc/07/00/38/542070038.db2.gz HMLQOTSJLMHSKR-INIZCTEOSA-N 1 0 360.458 2.221 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000075716838 542200777 /nfs/dbraw/zinc/20/07/77/542200777.db2.gz FOKQFDQJJKEANI-HNNXBMFYSA-N 1 0 366.368 2.310 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000076639275 542303433 /nfs/dbraw/zinc/30/34/33/542303433.db2.gz NGMRLAFYGLMGEX-HNNXBMFYSA-N 1 0 374.441 2.222 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000078405007 542460411 /nfs/dbraw/zinc/46/04/11/542460411.db2.gz CNURANFWLGSBGT-GFCCVEGCSA-N 1 0 357.357 2.355 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078506415 542464672 /nfs/dbraw/zinc/46/46/72/542464672.db2.gz LZXIRPLYDPHUMH-MRXNPFEDSA-N 1 0 354.410 2.404 20 5 FEBDRO C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000085361062 542725642 /nfs/dbraw/zinc/72/56/42/542725642.db2.gz OQTOKIWHKHTRTP-CYBMUJFWSA-N 1 0 352.435 2.249 20 5 FEBDRO COC(=O)c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000089603241 542766206 /nfs/dbraw/zinc/76/62/06/542766206.db2.gz OFTARPAEVOGZMO-OAHLLOKOSA-N 1 0 363.414 2.355 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000092070221 542842865 /nfs/dbraw/zinc/84/28/65/542842865.db2.gz PKAWORDLIJRCSS-CYBMUJFWSA-N 1 0 361.402 2.116 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000093019928 542902617 /nfs/dbraw/zinc/90/26/17/542902617.db2.gz WTCJZBAIHSMYPP-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000101956972 543052006 /nfs/dbraw/zinc/05/20/06/543052006.db2.gz MNAIRSKYJQIYSD-UHFFFAOYSA-N 1 0 357.414 2.209 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103451721 543108330 /nfs/dbraw/zinc/10/83/30/543108330.db2.gz KEVXRHOWYVBNJE-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000104515508 543133493 /nfs/dbraw/zinc/13/34/93/543133493.db2.gz FIBHLXIGMDIWKY-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104575187 543134574 /nfs/dbraw/zinc/13/45/74/543134574.db2.gz KVBSTBIKKIYGPA-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104652424 543136325 /nfs/dbraw/zinc/13/63/25/543136325.db2.gz WBIXHTBSAUWJOV-UHFFFAOYSA-N 1 0 371.441 2.223 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106864457 543250470 /nfs/dbraw/zinc/25/04/70/543250470.db2.gz FAKFZRXLOMVLEM-IUODEOHRSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1cc(C(=O)NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000110021541 543346368 /nfs/dbraw/zinc/34/63/68/543346368.db2.gz SDURBXMIWXKWCC-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110347762 543355965 /nfs/dbraw/zinc/35/59/65/543355965.db2.gz UWQKUFOUIXNSCX-CQSZACIVSA-N 1 0 373.457 2.435 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000111273392 543391616 /nfs/dbraw/zinc/39/16/16/543391616.db2.gz ITQQMGXPWHERPN-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986737 543470814 /nfs/dbraw/zinc/47/08/14/543470814.db2.gz XAKVXQOKICOYKE-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115586389 543576106 /nfs/dbraw/zinc/57/61/06/543576106.db2.gz CXYMERHBWXCNEB-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716487 543779304 /nfs/dbraw/zinc/77/93/04/543779304.db2.gz WNOGLJFNWWAWGF-RDJZCZTQSA-N 1 0 374.441 2.023 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123753875 543781154 /nfs/dbraw/zinc/78/11/54/543781154.db2.gz WVDCCTALYHTELW-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124273656 543811372 /nfs/dbraw/zinc/81/13/72/543811372.db2.gz QERWSUBNFMNYIG-UHFFFAOYSA-N 1 0 351.794 2.405 20 5 FEBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000124597415 543831769 /nfs/dbraw/zinc/83/17/69/543831769.db2.gz PBVAHRPQGNPTTP-MJBXVCDLSA-N 1 0 363.418 2.095 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Br)c1 ZINC000125698648 543897064 /nfs/dbraw/zinc/89/70/64/543897064.db2.gz AWDJKYKENQAAOV-AWEZNQCLSA-N 1 0 369.219 2.219 20 5 FEBDRO Cc1c(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000126729108 543953484 /nfs/dbraw/zinc/95/34/84/543953484.db2.gz GPXFAJFPBXISEI-OAHLLOKOSA-N 1 0 373.409 2.457 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000126770263 543955581 /nfs/dbraw/zinc/95/55/81/543955581.db2.gz GCUPHNJVPQLNEO-MRXNPFEDSA-N 1 0 373.409 2.077 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127912142 544021357 /nfs/dbraw/zinc/02/13/57/544021357.db2.gz ZHQZNNQANRSXMI-UHFFFAOYSA-N 1 0 373.413 2.445 20 5 FEBDRO Cc1cc([C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCO2)ccc1F ZINC000128611224 544062523 /nfs/dbraw/zinc/06/25/23/544062523.db2.gz RZXSSVDTDGVIFJ-KRWDZBQOSA-N 1 0 361.373 2.278 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857603 544129757 /nfs/dbraw/zinc/12/97/57/544129757.db2.gz BWPKEFIAFDRTAB-QGZVFWFLSA-N 1 0 363.462 2.475 20 5 FEBDRO COc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000130176976 544141644 /nfs/dbraw/zinc/14/16/44/544141644.db2.gz BCWXUCXNMAWIKB-UHFFFAOYSA-N 1 0 365.430 2.462 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000131712781 544203103 /nfs/dbraw/zinc/20/31/03/544203103.db2.gz RRAJEAJOGISRTD-OAHLLOKOSA-N 1 0 373.409 2.068 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cn1 ZINC000132180101 544221869 /nfs/dbraw/zinc/22/18/69/544221869.db2.gz CENORJOSFGSXPX-UHFFFAOYSA-N 1 0 354.370 2.153 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000134539623 544312396 /nfs/dbraw/zinc/31/23/96/544312396.db2.gz NBCBDIUOMIRILM-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000134677842 544317867 /nfs/dbraw/zinc/31/78/67/544317867.db2.gz KFBRGDDLVKKVLG-HNNXBMFYSA-N 1 0 372.469 2.433 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000247505094 549346789 /nfs/dbraw/zinc/34/67/89/549346789.db2.gz ITQQMGXPWHERPN-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000136220118 544369420 /nfs/dbraw/zinc/36/94/20/544369420.db2.gz XHMYZPSPQPSRCR-QGZVFWFLSA-N 1 0 360.414 2.153 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141443577 544413306 /nfs/dbraw/zinc/41/33/06/544413306.db2.gz MCFFARQEAQXONM-INIZCTEOSA-N 1 0 355.398 2.091 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150969003 544492016 /nfs/dbraw/zinc/49/20/16/544492016.db2.gz CZXKBRMWOCJWBU-GXTWGEPZSA-N 1 0 362.386 2.368 20 5 FEBDRO C[NH+](C)CC1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000151805060 544582455 /nfs/dbraw/zinc/58/24/55/544582455.db2.gz ZWTMZZKXLHZGTM-UHFFFAOYSA-N 1 0 359.423 2.133 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1C ZINC000152368019 544644311 /nfs/dbraw/zinc/64/43/11/544644311.db2.gz GWHHHRUZMYRODK-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152709243 544686381 /nfs/dbraw/zinc/68/63/81/544686381.db2.gz WOCDLBNMJFPINI-RBSFLKMASA-N 1 0 369.487 2.381 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000153193750 544745704 /nfs/dbraw/zinc/74/57/04/544745704.db2.gz IHMVPEHADUSVNT-LLVKDONJSA-N 1 0 370.247 2.358 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000153409108 544772444 /nfs/dbraw/zinc/77/24/44/544772444.db2.gz GTJDVHDSXRXCQT-STQMWFEESA-N 1 0 370.475 2.130 20 5 FEBDRO Cc1occc1C(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153937607 544843274 /nfs/dbraw/zinc/84/32/74/544843274.db2.gz IJOQRJJJCVZILQ-SFHVURJKSA-N 1 0 373.409 2.424 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000154426268 544905549 /nfs/dbraw/zinc/90/55/49/544905549.db2.gz IQDLIJPQNCWFRF-QZTJIDSGSA-N 1 0 350.415 2.288 20 5 FEBDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154621249 544929546 /nfs/dbraw/zinc/92/95/46/544929546.db2.gz OAJSZOSTPAWUNN-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553249344 674248181 /nfs/dbraw/zinc/24/81/81/674248181.db2.gz FVQKFECNHRKLNV-NSHDSACASA-N 1 0 351.432 2.368 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000553251778 674248455 /nfs/dbraw/zinc/24/84/55/674248455.db2.gz IYKCCHBYHDLOLE-UHFFFAOYSA-N 1 0 350.419 2.761 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[NH+](C2CCCCC2)CC1 ZINC000182254281 327768048 /nfs/dbraw/zinc/76/80/48/327768048.db2.gz ITLOBADHPNZQRG-QGZVFWFLSA-N 1 0 363.458 2.285 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cnn(C)c1C ZINC000183311219 327811585 /nfs/dbraw/zinc/81/15/85/327811585.db2.gz JWBPVYOPJWKEOF-LLVKDONJSA-N 1 0 361.402 2.325 20 5 FEBDRO CC[NH+]1CCN(C[C@@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804357973 674281941 /nfs/dbraw/zinc/28/19/41/674281941.db2.gz SHVSZNRSLYZTAK-ZDUSSCGKSA-N 1 0 351.407 2.189 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184667827 327878086 /nfs/dbraw/zinc/87/80/86/327878086.db2.gz QYRBASDLOCFXDB-UHFFFAOYSA-N 1 0 367.427 2.081 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000184860978 327886205 /nfs/dbraw/zinc/88/62/05/327886205.db2.gz GRSWQIQBDHPOIA-CYBMUJFWSA-N 1 0 373.373 2.129 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188189805 328072006 /nfs/dbraw/zinc/07/20/06/328072006.db2.gz PCQILSOLZHGIAI-GFCCVEGCSA-N 1 0 355.460 2.403 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000189861647 328172271 /nfs/dbraw/zinc/17/22/71/328172271.db2.gz FECJWIXQSJODRE-UKRRQHHQSA-N 1 0 362.430 2.240 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000190174616 328192538 /nfs/dbraw/zinc/19/25/38/328192538.db2.gz CLLNTXRZCCYSNE-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000190672230 328224004 /nfs/dbraw/zinc/22/40/04/328224004.db2.gz ORGFCLULILNXAD-INIZCTEOSA-N 1 0 358.394 2.401 20 5 FEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191654554 328276185 /nfs/dbraw/zinc/27/61/85/328276185.db2.gz JLZDOHRERADZLF-LJQANCHMSA-N 1 0 361.442 2.357 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)n1 ZINC000191769767 328280800 /nfs/dbraw/zinc/28/08/00/328280800.db2.gz JZBVXJKSAKJVRR-INIZCTEOSA-N 1 0 373.457 2.494 20 5 FEBDRO CCn1cc(CN2CCCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)cn1 ZINC000192571317 328326543 /nfs/dbraw/zinc/32/65/43/328326543.db2.gz YQKJUAGQJYWZLQ-UHFFFAOYSA-N 1 0 361.450 2.048 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000192697584 328333882 /nfs/dbraw/zinc/33/38/82/328333882.db2.gz YXSACXBQKPDJCJ-GJZGRUSLSA-N 1 0 351.451 2.299 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000192728771 328335674 /nfs/dbraw/zinc/33/56/74/328335674.db2.gz JVRANGXLIICVGB-CVEARBPZSA-N 1 0 359.430 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000193322020 328368712 /nfs/dbraw/zinc/36/87/12/328368712.db2.gz GEIYUOHKAIBEJO-LLVKDONJSA-N 1 0 361.851 2.352 20 5 FEBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)N1 ZINC000193470910 328377269 /nfs/dbraw/zinc/37/72/69/328377269.db2.gz VRNNFZPUVNXBCP-GOSISDBHSA-N 1 0 370.365 2.029 20 5 FEBDRO COc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193918895 328401992 /nfs/dbraw/zinc/40/19/92/328401992.db2.gz QFCGKZUUXZDERT-UHFFFAOYSA-N 1 0 371.459 2.145 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000041427949 324508029 /nfs/dbraw/zinc/50/80/29/324508029.db2.gz BUKCOFDFSCBQNR-CQSZACIVSA-N 1 0 351.432 2.052 20 5 FEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000055668725 324786148 /nfs/dbraw/zinc/78/61/48/324786148.db2.gz XPSTVDUVBZZIAG-UHFFFAOYSA-N 1 0 358.442 2.363 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000237134478 328505905 /nfs/dbraw/zinc/50/59/05/328505905.db2.gz NAXOTIMAHKNLFY-KRWDZBQOSA-N 1 0 371.441 2.280 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237216132 328508772 /nfs/dbraw/zinc/50/87/72/328508772.db2.gz ZBVNTHCSKNVXSR-INIZCTEOSA-N 1 0 353.444 2.080 20 5 FEBDRO C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+]1CCCC1 ZINC000077686463 325005296 /nfs/dbraw/zinc/00/52/96/325005296.db2.gz CEBHHNFHWVFVLI-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000077703415 325006814 /nfs/dbraw/zinc/00/68/14/325006814.db2.gz KKYOGEJDGVEWJG-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000237274492 328510755 /nfs/dbraw/zinc/51/07/55/328510755.db2.gz OSRFLGKOEOSXSH-SCZZXKLOSA-N 1 0 359.329 2.062 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000081360885 325171082 /nfs/dbraw/zinc/17/10/82/325171082.db2.gz WAECEOCYGCKIHB-ZDUSSCGKSA-N 1 0 363.414 2.185 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090183089 325356336 /nfs/dbraw/zinc/35/63/36/325356336.db2.gz OGRFWHIVPPIDGF-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([NH2+]CC2CC2)CC1 ZINC000237892493 328533442 /nfs/dbraw/zinc/53/34/42/328533442.db2.gz DRTYGHWIGOKYAM-UHFFFAOYSA-N 1 0 370.409 2.041 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102331570 325490646 /nfs/dbraw/zinc/49/06/46/325490646.db2.gz UMBYBUVJTVHOND-INIZCTEOSA-N 1 0 365.478 2.425 20 5 FEBDRO CCOc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000103452914 325518398 /nfs/dbraw/zinc/51/83/98/325518398.db2.gz GHTXVEIKLSAKEL-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000106804272 325611114 /nfs/dbraw/zinc/61/11/14/325611114.db2.gz QUDKYTMIYGXJPX-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000116067812 325990621 /nfs/dbraw/zinc/99/06/21/325990621.db2.gz JWNYQATYJDDPNZ-AWEZNQCLSA-N 1 0 357.414 2.133 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000118113022 326081980 /nfs/dbraw/zinc/08/19/80/326081980.db2.gz NQOHYVGTBCKVQW-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118112788 326082354 /nfs/dbraw/zinc/08/23/54/326082354.db2.gz NEYVLLMOXDKBJO-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000119228064 326139571 /nfs/dbraw/zinc/13/95/71/326139571.db2.gz NHZVMMMTBXKHFP-HNNXBMFYSA-N 1 0 351.403 2.167 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167316 326236943 /nfs/dbraw/zinc/23/69/43/326236943.db2.gz JUWQRGRUOHBSGA-GFCCVEGCSA-N 1 0 361.489 2.303 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000120642731 326275357 /nfs/dbraw/zinc/27/53/57/326275357.db2.gz CVHNZUROXVVFND-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1C ZINC000121383008 326334674 /nfs/dbraw/zinc/33/46/74/326334674.db2.gz PHILKHPACSLICW-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896936 326565235 /nfs/dbraw/zinc/56/52/35/326565235.db2.gz DAOPBLHJERRXME-CDMKHQONSA-N 1 0 368.821 2.209 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000143309111 326665287 /nfs/dbraw/zinc/66/52/87/326665287.db2.gz OGTSILKTLQKJNX-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150801392 326668265 /nfs/dbraw/zinc/66/82/65/326668265.db2.gz VTOOVHYPMIUVKG-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000152876191 326718490 /nfs/dbraw/zinc/71/84/90/326718490.db2.gz SYVUXYNILYUCLY-UHFFFAOYSA-N 1 0 372.429 2.162 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153638522 326738488 /nfs/dbraw/zinc/73/84/88/326738488.db2.gz IGZDHIQPQJWWOD-UHFFFAOYSA-N 1 0 362.821 2.402 20 5 FEBDRO Cn1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000153796964 326743002 /nfs/dbraw/zinc/74/30/02/326743002.db2.gz KBCVVDVEVDDKKE-MRVPVSSYSA-N 1 0 354.823 2.390 20 5 FEBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000155662432 326798677 /nfs/dbraw/zinc/79/86/77/326798677.db2.gz GRXFTGRTYADRRD-GJZGRUSLSA-N 1 0 360.458 2.362 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162185281 327019010 /nfs/dbraw/zinc/01/90/10/327019010.db2.gz QPZFSFQSUZYHLA-CQSZACIVSA-N 1 0 371.441 2.490 20 5 FEBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162662247 327031248 /nfs/dbraw/zinc/03/12/48/327031248.db2.gz NLXNDKFWFJPQLH-UHFFFAOYSA-N 1 0 369.365 2.234 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164232359 327067002 /nfs/dbraw/zinc/06/70/02/327067002.db2.gz VABKQZMTMSFPDJ-TZMCWYRMSA-N 1 0 362.386 2.368 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000164260266 327067337 /nfs/dbraw/zinc/06/73/37/327067337.db2.gz MMPMLRWEPGUHEY-MRXNPFEDSA-N 1 0 370.457 2.166 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)c1 ZINC000164798041 327074485 /nfs/dbraw/zinc/07/44/85/327074485.db2.gz ATYMHGVUFNIEEP-HNNXBMFYSA-N 1 0 373.409 2.457 20 5 FEBDRO CCc1n[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171399932 327136884 /nfs/dbraw/zinc/13/68/84/327136884.db2.gz BLAPJGCUXCDEGS-STQMWFEESA-N 1 0 351.451 2.368 20 5 FEBDRO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171535049 327144699 /nfs/dbraw/zinc/14/46/99/327144699.db2.gz BIFRCUZNPPXSRO-UHFFFAOYSA-N 1 0 350.375 2.286 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000171979987 327173995 /nfs/dbraw/zinc/17/39/95/327173995.db2.gz VFWUXMJVBWVAGU-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000172173151 327185653 /nfs/dbraw/zinc/18/56/53/327185653.db2.gz GWKCFPMULRHLNL-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172386020 327199080 /nfs/dbraw/zinc/19/90/80/327199080.db2.gz ITZCYTMVDAQFTQ-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464644 327203084 /nfs/dbraw/zinc/20/30/84/327203084.db2.gz ZHJYNGUVPVAQLO-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000172667451 327214060 /nfs/dbraw/zinc/21/40/60/327214060.db2.gz IPSPZBXDHKCVMY-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO Cc1nn(CCC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000172839761 327221645 /nfs/dbraw/zinc/22/16/45/327221645.db2.gz BPEULAAPENANOJ-HNNXBMFYSA-N 1 0 351.451 2.131 20 5 FEBDRO Cc1c(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000173292349 327247625 /nfs/dbraw/zinc/24/76/25/327247625.db2.gz GYGLZDGDOICBSP-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173686804 327277027 /nfs/dbraw/zinc/27/70/27/327277027.db2.gz QPPBKSYLONIYLE-INIZCTEOSA-N 1 0 369.425 2.378 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173829670 327287202 /nfs/dbraw/zinc/28/72/02/327287202.db2.gz PAKPJOBDPZFBIK-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174156531 327309519 /nfs/dbraw/zinc/30/95/19/327309519.db2.gz BMEVGFSINJHDEQ-OLZOCXBDSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174184709 327311231 /nfs/dbraw/zinc/31/12/31/327311231.db2.gz NAUDTCAKHPEGBD-OCCSQVGLSA-N 1 0 350.419 2.228 20 5 FEBDRO COc1cc(OCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000174201246 327312798 /nfs/dbraw/zinc/31/27/98/327312798.db2.gz BCZCABWGKJRPHN-AGUYFDCRSA-N 1 0 363.414 2.114 20 5 FEBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727992 327346495 /nfs/dbraw/zinc/34/64/95/327346495.db2.gz ZXKHPZDSDSFNAE-TZMCWYRMSA-N 1 0 370.356 2.495 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000175303005 327385938 /nfs/dbraw/zinc/38/59/38/327385938.db2.gz QFRJOFGYRUVFQJ-OCCSQVGLSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177528858 327528764 /nfs/dbraw/zinc/52/87/64/327528764.db2.gz XNDSVVIIBJBFDQ-VXGBXAGGSA-N 1 0 350.375 2.414 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178804323 327608132 /nfs/dbraw/zinc/60/81/32/327608132.db2.gz OLDCUOHTUACAHK-LBPRGKRZSA-N 1 0 367.471 2.422 20 5 FEBDRO C[NH2+][C@@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000261994423 328834141 /nfs/dbraw/zinc/83/41/41/328834141.db2.gz KROGWJBUDAPFEM-GFCCVEGCSA-N 1 0 359.373 2.431 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263824002 328965897 /nfs/dbraw/zinc/96/58/97/328965897.db2.gz RDCXOMILRQSWNP-QGZVFWFLSA-N 1 0 373.457 2.087 20 5 FEBDRO Cc1c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000264502224 329030197 /nfs/dbraw/zinc/03/01/97/329030197.db2.gz ILJMEEQLJAHSOF-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO CC(=O)c1ccc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000264570134 329036767 /nfs/dbraw/zinc/03/67/67/329036767.db2.gz WXCIYQHTDKQYHP-KRWDZBQOSA-N 1 0 360.458 2.404 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264666114 329046269 /nfs/dbraw/zinc/04/62/69/329046269.db2.gz ZNXAUBLKPYXMOT-OAHLLOKOSA-N 1 0 353.444 2.152 20 5 FEBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875058 329069833 /nfs/dbraw/zinc/06/98/33/329069833.db2.gz PPSPXIYMBCGXAB-MNOVXSKESA-N 1 0 351.794 2.450 20 5 FEBDRO C[NH+](C)Cc1cc(CNC(=O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000265359070 329118594 /nfs/dbraw/zinc/11/85/94/329118594.db2.gz ZJHXOGHARKGPLO-UHFFFAOYSA-N 1 0 361.373 2.491 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000265920593 329172805 /nfs/dbraw/zinc/17/28/05/329172805.db2.gz CBNLUQDSGDXNQL-SWLSCSKDSA-N 1 0 353.394 2.301 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000265996229 329179997 /nfs/dbraw/zinc/17/99/97/329179997.db2.gz NNOGVCYCESXVGK-TZMCWYRMSA-N 1 0 365.430 2.414 20 5 FEBDRO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000266212419 329201025 /nfs/dbraw/zinc/20/10/25/329201025.db2.gz KAANXZSHALRLLR-OAHLLOKOSA-N 1 0 361.442 2.053 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000266267118 329206291 /nfs/dbraw/zinc/20/62/91/329206291.db2.gz WLGNZLAWCLFLCO-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267037920 329285615 /nfs/dbraw/zinc/28/56/15/329285615.db2.gz VDQSAOSKNYNLHN-ZDUSSCGKSA-N 1 0 351.403 2.168 20 5 FEBDRO COCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267269851 329308830 /nfs/dbraw/zinc/30/88/30/329308830.db2.gz RZZYXWYPFJWZPN-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000267342297 329316865 /nfs/dbraw/zinc/31/68/65/329316865.db2.gz ZZILGXOSVVFBOI-CHWSQXEVSA-N 1 0 351.403 2.215 20 5 FEBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273374650 329859798 /nfs/dbraw/zinc/85/97/98/329859798.db2.gz BDUDFQHXCSLNQT-GFCCVEGCSA-N 1 0 372.443 2.078 20 5 FEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc1 ZINC000273956856 329905360 /nfs/dbraw/zinc/90/53/60/329905360.db2.gz NNNZWVSOHJIRJT-UHFFFAOYSA-N 1 0 361.377 2.479 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000275225492 330023818 /nfs/dbraw/zinc/02/38/18/330023818.db2.gz CMCJSRXAJMZDBQ-KSSFIOAISA-N 1 0 360.414 2.444 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000276624252 330171451 /nfs/dbraw/zinc/17/14/51/330171451.db2.gz RODJBSCRDJQHQH-UHFFFAOYSA-N 1 0 355.822 2.399 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279075264 330173043 /nfs/dbraw/zinc/17/30/43/330173043.db2.gz UMSQXZSOIGJXIZ-SNVBAGLBSA-N 1 0 363.805 2.320 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000367234206 330233960 /nfs/dbraw/zinc/23/39/60/330233960.db2.gz LFLACMVGOXSTJE-CQSZACIVSA-N 1 0 370.409 2.126 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000369334231 330240756 /nfs/dbraw/zinc/24/07/56/330240756.db2.gz JHYFZCKVMGLGQE-CQSZACIVSA-N 1 0 365.821 2.080 20 5 FEBDRO Cc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000371467166 330245794 /nfs/dbraw/zinc/24/57/94/330245794.db2.gz WPEQUHNKTFDVMC-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000411374414 330255119 /nfs/dbraw/zinc/25/51/19/330255119.db2.gz CFWMOMOHJLLRKS-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000411390704 330257259 /nfs/dbraw/zinc/25/72/59/330257259.db2.gz ARCOFNQLPFOQIT-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@H+]1CC=CCC1 ZINC000477647662 561150322 /nfs/dbraw/zinc/15/03/22/561150322.db2.gz WEBZVUJPWAQDOY-UHFFFAOYSA-N 1 0 353.806 2.395 20 5 FEBDRO Cn1c(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1[N+](=O)[O-] ZINC000477746796 561152442 /nfs/dbraw/zinc/15/24/42/561152442.db2.gz TWYCMZRLVALPKM-UHFFFAOYSA-N 1 0 372.425 2.390 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000158422864 545860062 /nfs/dbraw/zinc/86/00/62/545860062.db2.gz LEVCSZOABGJFSX-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000158890789 545903920 /nfs/dbraw/zinc/90/39/20/545903920.db2.gz AGDVTDHORNVFFJ-AOOOYVTPSA-N 1 0 354.204 2.324 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN([C@H]3C=CCCC3)CC2)c1 ZINC000171278308 546200814 /nfs/dbraw/zinc/20/08/14/546200814.db2.gz GKCQQAUUJPXUQA-AWEZNQCLSA-N 1 0 351.428 2.010 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183420 546417479 /nfs/dbraw/zinc/41/74/79/546417479.db2.gz DUUBKWQFYHCVPG-GDBMZVCRSA-N 1 0 364.446 2.374 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000176729812 546480820 /nfs/dbraw/zinc/48/08/20/546480820.db2.gz WMVISJPUKKUFMU-NEPJUHHUSA-N 1 0 373.862 2.414 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000480755734 561216031 /nfs/dbraw/zinc/21/60/31/561216031.db2.gz HUQCZYBQRLTUOK-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217278 546572514 /nfs/dbraw/zinc/57/25/14/546572514.db2.gz XPSXTWCAXCLLHS-BXKDBHETSA-N 1 0 362.386 2.475 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177349212 546599283 /nfs/dbraw/zinc/59/92/83/546599283.db2.gz CWSRXBZHISIRJY-WBVHZDCISA-N 1 0 358.442 2.043 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000177543965 546641799 /nfs/dbraw/zinc/64/17/99/546641799.db2.gz CZOPHKFPBGIPFE-NSHDSACASA-N 1 0 359.224 2.011 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@@H]1O ZINC000481357931 561231348 /nfs/dbraw/zinc/23/13/48/561231348.db2.gz HDPXDMUSPLKSNS-CJNGLKHVSA-N 1 0 363.414 2.376 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180416042 547105949 /nfs/dbraw/zinc/10/59/49/547105949.db2.gz TXBQZVDAMANKNZ-SJKOYZFVSA-N 1 0 364.423 2.383 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180926414 547211506 /nfs/dbraw/zinc/21/15/06/547211506.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 1 0 350.463 2.061 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181483240 547321900 /nfs/dbraw/zinc/32/19/00/547321900.db2.gz IOWWPAVPKHHNLP-WWGRRREGSA-N 1 0 365.430 2.413 20 5 FEBDRO O=C(CCN1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714107 547365522 /nfs/dbraw/zinc/36/55/22/547365522.db2.gz QAVYUDKFDYKFDC-AWEZNQCLSA-N 1 0 364.421 2.480 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000182230715 547457100 /nfs/dbraw/zinc/45/71/00/547457100.db2.gz KQBFJYPSDWHLBR-CYBMUJFWSA-N 1 0 363.414 2.376 20 5 FEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000182255870 547462319 /nfs/dbraw/zinc/46/23/19/547462319.db2.gz OFXPNRZLTLQRJM-HIFRSBDPSA-N 1 0 351.403 2.479 20 5 FEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292813 547468779 /nfs/dbraw/zinc/46/87/79/547468779.db2.gz QTCIURUHDLSIER-CVEARBPZSA-N 1 0 374.441 2.023 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182804739 547554965 /nfs/dbraw/zinc/55/49/65/547554965.db2.gz KBLQOMUMJGUJRI-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182984429 547583239 /nfs/dbraw/zinc/58/32/39/547583239.db2.gz HDPRVYLQRCHLAL-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@@H](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+]1CCCCC1 ZINC000183091643 547599951 /nfs/dbraw/zinc/59/99/51/547599951.db2.gz YIRXDRUKUYLUJB-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO CCN(CC)C(=O)CN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183254622 547627946 /nfs/dbraw/zinc/62/79/46/547627946.db2.gz UNZPBTSGVWKVJK-UHFFFAOYSA-N 1 0 362.474 2.279 20 5 FEBDRO CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183770024 547717155 /nfs/dbraw/zinc/71/71/55/547717155.db2.gz FWYMMMZQDAZGSC-GOSISDBHSA-N 1 0 370.453 2.353 20 5 FEBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000484643793 561302049 /nfs/dbraw/zinc/30/20/49/561302049.db2.gz DMGWRTACYWGXDI-BHIYHBOVSA-N 1 0 374.441 2.440 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184132850 547774253 /nfs/dbraw/zinc/77/42/53/547774253.db2.gz YCVOMIXCASILCT-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO CSc1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184325307 547808540 /nfs/dbraw/zinc/80/85/40/547808540.db2.gz OSFIVRPNIUCAMP-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650023 547860958 /nfs/dbraw/zinc/86/09/58/547860958.db2.gz XHNFFWSUPRXJIQ-CQSZACIVSA-N 1 0 370.837 2.158 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184674684 547863555 /nfs/dbraw/zinc/86/35/55/547863555.db2.gz ZVQDHMCDVSJMLA-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000185168345 547944856 /nfs/dbraw/zinc/94/48/56/547944856.db2.gz CYCKEPCLLJIOFG-SFHVURJKSA-N 1 0 359.382 2.284 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000185704894 548022143 /nfs/dbraw/zinc/02/21/43/548022143.db2.gz GFUWFCZIFIJTDY-UHFFFAOYSA-N 1 0 361.402 2.381 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000186239663 548105283 /nfs/dbraw/zinc/10/52/83/548105283.db2.gz JMGDMJWZEDMHCL-UHFFFAOYSA-N 1 0 372.429 2.236 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495072 548143590 /nfs/dbraw/zinc/14/35/90/548143590.db2.gz LXKCVZJOVHMDKC-CQSZACIVSA-N 1 0 355.398 2.137 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000186760117 548186569 /nfs/dbraw/zinc/18/65/69/548186569.db2.gz RVGFWGAGRMONHI-INIZCTEOSA-N 1 0 358.398 2.291 20 5 FEBDRO COc1cnccc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000187117649 548250554 /nfs/dbraw/zinc/25/05/54/548250554.db2.gz OQDSWMJLFOFQLK-LBPRGKRZSA-N 1 0 365.411 2.123 20 5 FEBDRO C[C@H](O)C[NH+]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000189339517 548300357 /nfs/dbraw/zinc/30/03/57/548300357.db2.gz RMYTZWICAPGMGW-HNNXBMFYSA-N 1 0 352.434 2.445 20 5 FEBDRO Cc1c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195372174 548631451 /nfs/dbraw/zinc/63/14/51/548631451.db2.gz PWQLGPHYZJHEJG-UHFFFAOYSA-N 1 0 362.386 2.430 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000236763234 548778482 /nfs/dbraw/zinc/77/84/82/548778482.db2.gz FDHUJAOZEJMOCU-OAHLLOKOSA-N 1 0 363.414 2.093 20 5 FEBDRO CCCN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH2+]CC1 ZINC000236858944 548784331 /nfs/dbraw/zinc/78/43/31/548784331.db2.gz FOYSTLURHHPHGJ-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237613029 548838925 /nfs/dbraw/zinc/83/89/25/548838925.db2.gz JWYAYFYHQOWKBJ-ZWNOBZJWSA-N 1 0 361.851 2.352 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237824849 548856255 /nfs/dbraw/zinc/85/62/55/548856255.db2.gz BRCGMXDIVNRLBK-INIZCTEOSA-N 1 0 372.429 2.121 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000237842620 548858153 /nfs/dbraw/zinc/85/81/53/548858153.db2.gz VBOHUSWYOWVIGO-LLVKDONJSA-N 1 0 360.336 2.284 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246008335 549035464 /nfs/dbraw/zinc/03/54/64/549035464.db2.gz HQEVWEKIZTWOQC-JDFRZJQESA-N 1 0 365.430 2.280 20 5 FEBDRO O=C1[C@@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246248734 549088914 /nfs/dbraw/zinc/08/89/14/549088914.db2.gz VVGFTWAXSOEANU-YJBOKZPZSA-N 1 0 358.442 2.118 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246323892 549106051 /nfs/dbraw/zinc/10/60/51/549106051.db2.gz HGMHVINUMXMYCJ-UKRRQHHQSA-N 1 0 363.462 2.363 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000246915602 549242249 /nfs/dbraw/zinc/24/22/49/549242249.db2.gz RSSSIKWNZHJXIY-OZVIIMIRSA-N 1 0 351.403 2.023 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248409659 549431272 /nfs/dbraw/zinc/43/12/72/549431272.db2.gz XCDWSPSIAJWYSP-KBPBESRZSA-N 1 0 365.434 2.248 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000248450840 549441131 /nfs/dbraw/zinc/44/11/31/549441131.db2.gz IVXCNSZTVXPZSQ-MRXNPFEDSA-N 1 0 363.458 2.285 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248571814 549460840 /nfs/dbraw/zinc/46/08/40/549460840.db2.gz MIDCTNGZUAXHMG-HUUCEWRRSA-N 1 0 369.418 2.269 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000489543936 561413883 /nfs/dbraw/zinc/41/38/83/561413883.db2.gz AJJCADKCUIPEND-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249053538 549543471 /nfs/dbraw/zinc/54/34/71/549543471.db2.gz ONTCIAYCTFWWRS-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000250150566 549638496 /nfs/dbraw/zinc/63/84/96/549638496.db2.gz WWCBLXYEEOCTCZ-KBPBESRZSA-N 1 0 365.430 2.219 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261886463 549766140 /nfs/dbraw/zinc/76/61/40/549766140.db2.gz ZDNDZAQZVXCHEK-PBHICJAKSA-N 1 0 355.394 2.418 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000262224212 549799818 /nfs/dbraw/zinc/79/98/18/549799818.db2.gz NAVCFYYOTVQGKQ-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000490437271 561433064 /nfs/dbraw/zinc/43/30/64/561433064.db2.gz IBVYQAPBCVSIAN-AWEZNQCLSA-N 1 0 367.471 2.231 20 5 FEBDRO Cn1ccnc1[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000263793363 549938070 /nfs/dbraw/zinc/93/80/70/549938070.db2.gz IEYDDJNNWBIADQ-DRDHIDPGSA-N 1 0 370.331 2.381 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000269124727 550158253 /nfs/dbraw/zinc/15/82/53/550158253.db2.gz WQDOUARFIWYPJZ-JSGCOSHPSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000269146978 550160869 /nfs/dbraw/zinc/16/08/69/550160869.db2.gz KALRYQRVFOPRBG-ROUUACIJSA-N 1 0 361.442 2.401 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493390322 561455811 /nfs/dbraw/zinc/45/58/11/561455811.db2.gz USRQZHTVKBGQLX-NVXWUHKLSA-N 1 0 351.403 2.073 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000270281028 550258879 /nfs/dbraw/zinc/25/88/79/550258879.db2.gz VJWSECZLWRNGJY-ZDUSSCGKSA-N 1 0 357.414 2.275 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000270912046 550320426 /nfs/dbraw/zinc/32/04/26/550320426.db2.gz OAWWTVQVLSVLID-SWLSCSKDSA-N 1 0 371.397 2.403 20 5 FEBDRO C[C@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000270971983 550326879 /nfs/dbraw/zinc/32/68/79/550326879.db2.gz TYSJOEPXKUFQSZ-AWEZNQCLSA-N 1 0 357.414 2.065 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272401352 550444296 /nfs/dbraw/zinc/44/42/96/550444296.db2.gz VHFUJDJCVHJAAM-NSHDSACASA-N 1 0 363.443 2.403 20 5 FEBDRO COc1cc(C[NH2+]CCc2cnn(C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272479089 550451619 /nfs/dbraw/zinc/45/16/19/550451619.db2.gz SOVXDKJANZDPGA-UHFFFAOYSA-N 1 0 370.356 2.313 20 5 FEBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000273092528 550484538 /nfs/dbraw/zinc/48/45/38/550484538.db2.gz BJARRIOMSMOGKX-CQSZACIVSA-N 1 0 362.382 2.181 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000273218140 550490198 /nfs/dbraw/zinc/49/01/98/550490198.db2.gz UYVKKRIFOLSKBD-MXUQEVIESA-N 1 0 366.386 2.104 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273402792 550497272 /nfs/dbraw/zinc/49/72/72/550497272.db2.gz PGZLXYINFZJWFB-LZWOXQAQSA-N 1 0 352.431 2.063 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273402789 550497400 /nfs/dbraw/zinc/49/74/00/550497400.db2.gz PGZLXYINFZJWFB-IIAWOOMASA-N 1 0 352.431 2.063 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](O)(c1nccn1C)C(F)(F)F ZINC000273447529 550498821 /nfs/dbraw/zinc/49/88/21/550498821.db2.gz YAAAYKLUQNMDND-AWEZNQCLSA-N 1 0 358.320 2.176 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1F ZINC000273550781 550502673 /nfs/dbraw/zinc/50/26/73/550502673.db2.gz VWFQEPLSQVUPGM-LBPRGKRZSA-N 1 0 373.450 2.393 20 5 FEBDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000274272027 550530734 /nfs/dbraw/zinc/53/07/34/550530734.db2.gz BDUUFCOTIBMRQT-CYBMUJFWSA-N 1 0 364.427 2.263 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275917706 550575160 /nfs/dbraw/zinc/57/51/60/550575160.db2.gz FTLHONYANFFVCF-FQEVSTJZSA-N 1 0 353.422 2.136 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000276921329 550611334 /nfs/dbraw/zinc/61/13/34/550611334.db2.gz YUALKWSHLXZRNA-UKRRQHHQSA-N 1 0 353.444 2.029 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000276932266 550612587 /nfs/dbraw/zinc/61/25/87/550612587.db2.gz IUTPCECNIJMPDC-ZFWWWQNUSA-N 1 0 351.403 2.479 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000276940273 550613455 /nfs/dbraw/zinc/61/34/55/550613455.db2.gz BIOLNEIBQSNANV-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277021704 550622895 /nfs/dbraw/zinc/62/28/95/550622895.db2.gz ANKDJCSZEAGWGN-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO CCNC(=O)C1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000277056081 550626693 /nfs/dbraw/zinc/62/66/93/550626693.db2.gz BDKWCQZGYWAYBJ-UHFFFAOYSA-N 1 0 351.403 2.008 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)CC[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000277108811 550633112 /nfs/dbraw/zinc/63/31/12/550633112.db2.gz FRLVMFXGMVLJBE-JTQLQIEISA-N 1 0 352.391 2.152 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000277311067 550655064 /nfs/dbraw/zinc/65/50/64/550655064.db2.gz PZTRTRHFNLJETH-CXAGYDPISA-N 1 0 360.414 2.031 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277388397 550664481 /nfs/dbraw/zinc/66/44/81/550664481.db2.gz XEVAVBRZVDOTLP-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277805750 550716189 /nfs/dbraw/zinc/71/61/89/550716189.db2.gz PPRBAOUDJVQBQI-UHFFFAOYSA-N 1 0 371.437 2.074 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277955733 550732803 /nfs/dbraw/zinc/73/28/03/550732803.db2.gz TTWFQMHGFWNCKK-GFCCVEGCSA-N 1 0 360.418 2.002 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000278310544 550771531 /nfs/dbraw/zinc/77/15/31/550771531.db2.gz SXAUJYXIBPFDIB-IONNQARKSA-N 1 0 360.183 2.367 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000278632098 550806161 /nfs/dbraw/zinc/80/61/61/550806161.db2.gz OGTYKEJZQQXTJH-WDEREUQCSA-N 1 0 356.810 2.167 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278808193 550824344 /nfs/dbraw/zinc/82/43/44/550824344.db2.gz OHANMGBMJWEALD-GFCCVEGCSA-N 1 0 350.375 2.193 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1OC ZINC000495273684 561485967 /nfs/dbraw/zinc/48/59/67/561485967.db2.gz CEQYKWBVRPSNDW-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000279244619 550869044 /nfs/dbraw/zinc/86/90/44/550869044.db2.gz QUSFNDQYOZCGCG-KGLIPLIRSA-N 1 0 350.394 2.157 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510491 550898277 /nfs/dbraw/zinc/89/82/77/550898277.db2.gz UHFULMJGAREVSF-RISCZKNCSA-N 1 0 352.410 2.212 20 5 FEBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279665385 550914074 /nfs/dbraw/zinc/91/40/74/550914074.db2.gz GYZCEMZLOXMULS-ZFWWWQNUSA-N 1 0 362.430 2.160 20 5 FEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CCO)CCOCC1 ZINC000495453764 561488419 /nfs/dbraw/zinc/48/84/19/561488419.db2.gz FFQXJRRXOMZANZ-UHFFFAOYSA-N 1 0 371.821 2.050 20 5 FEBDRO CS[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000495657240 561490037 /nfs/dbraw/zinc/49/00/37/561490037.db2.gz SSVBEMVFRBSPCM-HOTGVXAUSA-N 1 0 362.455 2.054 20 5 FEBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280892269 551042959 /nfs/dbraw/zinc/04/29/59/551042959.db2.gz QGQLLBKAFDANJT-KUHUBIRLSA-N 1 0 359.426 2.354 20 5 FEBDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282163725 551189008 /nfs/dbraw/zinc/18/90/08/551189008.db2.gz HCLRRQCQUQXCLM-CQSZACIVSA-N 1 0 356.430 2.195 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000497542814 561503513 /nfs/dbraw/zinc/50/35/13/561503513.db2.gz RBGNSGBNCZJVMX-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649094 561505552 /nfs/dbraw/zinc/50/55/52/561505552.db2.gz JECBAAFCVNCNOU-LSDHHAIUSA-N 1 0 365.455 2.036 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283032531 551300752 /nfs/dbraw/zinc/30/07/52/551300752.db2.gz HSNIFVCYFSLNIB-INIZCTEOSA-N 1 0 350.438 2.336 20 5 FEBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000498018563 561513926 /nfs/dbraw/zinc/51/39/26/561513926.db2.gz GPSBYKQYKQVAHE-DOTOQJQBSA-N 1 0 371.441 2.475 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)CC1 ZINC000284335229 551526386 /nfs/dbraw/zinc/52/63/86/551526386.db2.gz IZOOYXKQYWJCPN-GFCCVEGCSA-N 1 0 350.394 2.120 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000284836814 551647111 /nfs/dbraw/zinc/64/71/11/551647111.db2.gz NFCODTQVTLHHQM-DLBZAZTESA-N 1 0 358.398 2.155 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285366316 551744825 /nfs/dbraw/zinc/74/48/25/551744825.db2.gz QRDZVCWXQGNJTN-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000285369513 551745016 /nfs/dbraw/zinc/74/50/16/551745016.db2.gz FTUTXDYHGRMVHT-AWEZNQCLSA-N 1 0 369.219 2.051 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000285470790 551761244 /nfs/dbraw/zinc/76/12/44/551761244.db2.gz QFEXABQCWHHYRJ-JQFCIGGWSA-N 1 0 362.430 2.079 20 5 FEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285685366 551795164 /nfs/dbraw/zinc/79/51/64/551795164.db2.gz BPYCPLOEMBVDHT-UHFFFAOYSA-N 1 0 358.402 2.092 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000285875806 551822224 /nfs/dbraw/zinc/82/22/24/551822224.db2.gz QOIGIPQOJQAVAZ-MLGOLLRUSA-N 1 0 361.398 2.080 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000286238768 551864335 /nfs/dbraw/zinc/86/43/35/551864335.db2.gz DKQTVDVWJUNURW-GJZGRUSLSA-N 1 0 372.425 2.401 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982325 552070682 /nfs/dbraw/zinc/07/06/82/552070682.db2.gz APHCXOAFHHURLN-GDBMZVCRSA-N 1 0 369.425 2.479 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288428518 552151730 /nfs/dbraw/zinc/15/17/30/552151730.db2.gz KKFOYNOYUURJGQ-UHFFFAOYSA-N 1 0 374.445 2.489 20 5 FEBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000288526186 552169364 /nfs/dbraw/zinc/16/93/64/552169364.db2.gz JXJZNZJYRYZLAA-XHDPSFHLSA-N 1 0 350.396 2.378 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532946 552170446 /nfs/dbraw/zinc/17/04/46/552170446.db2.gz URJIACKHZBDKCK-KDOFPFPSSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532945 552170458 /nfs/dbraw/zinc/17/04/58/552170458.db2.gz URJIACKHZBDKCK-KBXCAEBGSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[C@@H](NC(=O)C(=O)NCCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000288851642 552224437 /nfs/dbraw/zinc/22/44/37/552224437.db2.gz IPZOHGLFFYVIKB-MRXNPFEDSA-N 1 0 364.446 2.010 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289679411 552360924 /nfs/dbraw/zinc/36/09/24/552360924.db2.gz JMROATZMBIDVLZ-HUUCEWRRSA-N 1 0 358.442 2.267 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000289852660 552389176 /nfs/dbraw/zinc/38/91/76/552389176.db2.gz QMYNWXFRWRCDGN-CYBMUJFWSA-N 1 0 364.446 2.466 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289858415 552389986 /nfs/dbraw/zinc/38/99/86/552389986.db2.gz CNLNAONVAJRCGK-ZJUUUORDSA-N 1 0 354.204 2.039 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290175289 552438545 /nfs/dbraw/zinc/43/85/45/552438545.db2.gz QDSPOUXLCPRGEE-IBGZPJMESA-N 1 0 369.421 2.440 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000500766663 561581690 /nfs/dbraw/zinc/58/16/90/561581690.db2.gz HMSIUKXBTOWRHK-UHFFFAOYSA-N 1 0 372.425 2.349 20 5 FEBDRO C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000290539502 552495083 /nfs/dbraw/zinc/49/50/83/552495083.db2.gz DYRYQYCZHSHPBG-TZMCWYRMSA-N 1 0 355.398 2.164 20 5 FEBDRO CN(CC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290755881 552532278 /nfs/dbraw/zinc/53/22/78/552532278.db2.gz NAOBXUFSXKKVFP-UHFFFAOYSA-N 1 0 356.231 2.084 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000290924601 552563288 /nfs/dbraw/zinc/56/32/88/552563288.db2.gz MVOUZGOYNYUZIO-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](CC)CC)cc1OC ZINC000501257637 561593374 /nfs/dbraw/zinc/59/33/74/561593374.db2.gz RYEAYKMULOLPGL-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO Nc1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ncc1[N+](=O)[O-] ZINC000292736144 552753812 /nfs/dbraw/zinc/75/38/12/552753812.db2.gz MNPQODMKNHLHMI-UHFFFAOYSA-N 1 0 368.441 2.460 20 5 FEBDRO C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000293059443 552784781 /nfs/dbraw/zinc/78/47/81/552784781.db2.gz RQTOZLPVLNIYED-HNNXBMFYSA-N 1 0 365.478 2.181 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293501416 552830154 /nfs/dbraw/zinc/83/01/54/552830154.db2.gz SNLQGTVPFVZWHJ-YPMHNXCESA-N 1 0 353.806 2.228 20 5 FEBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000293827694 552860123 /nfs/dbraw/zinc/86/01/23/552860123.db2.gz DKNHNDYAMASDJU-UHFFFAOYSA-N 1 0 372.429 2.171 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000294392689 552902610 /nfs/dbraw/zinc/90/26/10/552902610.db2.gz JXYPQCCCBFXMSS-SWLSCSKDSA-N 1 0 364.421 2.356 20 5 FEBDRO CCN(C)C(=O)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000294914713 552943774 /nfs/dbraw/zinc/94/37/74/552943774.db2.gz ALEZVTAFUHUYGJ-HNNXBMFYSA-N 1 0 351.403 2.054 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000295034264 552952888 /nfs/dbraw/zinc/95/28/88/552952888.db2.gz IPIPUGQJWGUKOU-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295170927 552965996 /nfs/dbraw/zinc/96/59/96/552965996.db2.gz GSLFRSQIXKSDKE-UHFFFAOYSA-N 1 0 356.231 2.084 20 5 FEBDRO Cc1nn([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000295380255 552996475 /nfs/dbraw/zinc/99/64/75/552996475.db2.gz QCMXKANPWORSPM-OAHLLOKOSA-N 1 0 371.441 2.442 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295639667 553038047 /nfs/dbraw/zinc/03/80/47/553038047.db2.gz ZZLPLZVALLOZCU-CYBMUJFWSA-N 1 0 363.439 2.386 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146823 553112486 /nfs/dbraw/zinc/11/24/86/553112486.db2.gz JYOYDIXBCCTGBQ-VUCTXSBTSA-N 1 0 363.414 2.335 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502522809 561620283 /nfs/dbraw/zinc/62/02/83/561620283.db2.gz MVVGSHNEDWRAJM-YRGRVCCFSA-N 1 0 360.357 2.475 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000502619231 561622165 /nfs/dbraw/zinc/62/21/65/561622165.db2.gz CGHIKKMYCCHHHP-AGIUHOORSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296441282 553160330 /nfs/dbraw/zinc/16/03/30/553160330.db2.gz WOWOPQMYHCNBEA-CSMYWGQOSA-N 1 0 361.398 2.089 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@](C)(COC)C2)c([N+](=O)[O-])c1 ZINC000296523259 553173713 /nfs/dbraw/zinc/17/37/13/553173713.db2.gz ALINPBMXHFMQKC-QGZVFWFLSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000296608834 553186721 /nfs/dbraw/zinc/18/67/21/553186721.db2.gz SBLQWFROMIFRIQ-HNNXBMFYSA-N 1 0 351.403 2.320 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000296789899 553212213 /nfs/dbraw/zinc/21/22/13/553212213.db2.gz SRQITCBQQPOSOU-LBPRGKRZSA-N 1 0 357.366 2.291 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000296965114 553236125 /nfs/dbraw/zinc/23/61/25/553236125.db2.gz BIYYZTBEUPDUKX-SFHVURJKSA-N 1 0 362.430 2.231 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298284404 553408159 /nfs/dbraw/zinc/40/81/59/553408159.db2.gz XHWNQKYKBAHUNL-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+]2CCCCC2)cc1 ZINC000503496539 561642836 /nfs/dbraw/zinc/64/28/36/561642836.db2.gz KKOPMHRESHTJJI-MRXNPFEDSA-N 1 0 373.413 2.284 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000298712621 553462311 /nfs/dbraw/zinc/46/23/11/553462311.db2.gz AMBCUHLFAPIRNC-VXGBXAGGSA-N 1 0 351.403 2.166 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000299117143 553517609 /nfs/dbraw/zinc/51/76/09/553517609.db2.gz SGQHSGFMFPBMIF-UHFFFAOYSA-N 1 0 371.393 2.228 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000299119474 553517802 /nfs/dbraw/zinc/51/78/02/553517802.db2.gz TZAPLQYEDQGTLI-AWEZNQCLSA-N 1 0 350.419 2.135 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299200894 553529800 /nfs/dbraw/zinc/52/98/00/553529800.db2.gz CWIZSBNPUNRIPL-RYUDHWBXSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000299343158 553550845 /nfs/dbraw/zinc/55/08/45/553550845.db2.gz QLNNGGWVSHGNSZ-UONOGXRCSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000299343155 553550849 /nfs/dbraw/zinc/55/08/49/553550849.db2.gz QLNNGGWVSHGNSZ-KGLIPLIRSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000299443417 553563771 /nfs/dbraw/zinc/56/37/71/553563771.db2.gz YLEAXKQKHWNTCY-HNNXBMFYSA-N 1 0 374.441 2.094 20 5 FEBDRO Cc1nn(C)c(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549011 553660386 /nfs/dbraw/zinc/66/03/86/553660386.db2.gz LTGIAMPOSYJJSX-ZIAGYGMSSA-N 1 0 365.478 2.352 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000505616809 561675566 /nfs/dbraw/zinc/67/55/66/561675566.db2.gz ZFJNTTIRIZOXON-QGZVFWFLSA-N 1 0 353.369 2.360 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000505891060 561684280 /nfs/dbraw/zinc/68/42/80/561684280.db2.gz VZKDKFHYMRPXQA-UHFFFAOYSA-N 1 0 363.462 2.284 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507380843 561727147 /nfs/dbraw/zinc/72/71/47/561727147.db2.gz MJOCKQKXRTVHQT-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1C ZINC000331039883 554205049 /nfs/dbraw/zinc/20/50/49/554205049.db2.gz CLCNTAMSWAKIIP-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000331148552 554222099 /nfs/dbraw/zinc/22/20/99/554222099.db2.gz OBAMFIMCBIIAIE-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314270 554245964 /nfs/dbraw/zinc/24/59/64/554245964.db2.gz WVCUQOYIGNGZEY-KGLIPLIRSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000331476066 554270668 /nfs/dbraw/zinc/27/06/68/554270668.db2.gz IXLRDTAPYHFXCI-UHFFFAOYSA-N 1 0 351.451 2.363 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621650 554296937 /nfs/dbraw/zinc/29/69/37/554296937.db2.gz FHZPJDMULLQVSM-HUUCEWRRSA-N 1 0 351.428 2.130 20 5 FEBDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331739744 554319553 /nfs/dbraw/zinc/31/95/53/554319553.db2.gz FFERBSSXXJRYKU-LLVKDONJSA-N 1 0 372.351 2.423 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331836700 554327427 /nfs/dbraw/zinc/32/74/27/554327427.db2.gz AXAHBXCKYJMTRW-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331855620 554332168 /nfs/dbraw/zinc/33/21/68/554332168.db2.gz DQRKRJPPSRNILE-BBRMVZONSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000331941940 554349921 /nfs/dbraw/zinc/34/99/21/554349921.db2.gz OEVHKUDRNKYIHT-STQMWFEESA-N 1 0 357.414 2.160 20 5 FEBDRO COc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332371393 554433598 /nfs/dbraw/zinc/43/35/98/554433598.db2.gz BCOXEHUYUOMCPD-NVXWUHKLSA-N 1 0 362.474 2.061 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000332526350 554462761 /nfs/dbraw/zinc/46/27/61/554462761.db2.gz OUZZRNAOJKSGOI-SWLSCSKDSA-N 1 0 361.398 2.080 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000332569063 554473636 /nfs/dbraw/zinc/47/36/36/554473636.db2.gz CITFZGXIRIWATG-JSGCOSHPSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@H]1C[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000510190117 561827864 /nfs/dbraw/zinc/82/78/64/561827864.db2.gz DFHDGFDUGYSFLS-DOTOQJQBSA-N 1 0 371.441 2.208 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425428 561868928 /nfs/dbraw/zinc/86/89/28/561868928.db2.gz LYBOXVXKLCKFOQ-HIFRSBDPSA-N 1 0 357.414 2.202 20 5 FEBDRO C[N@H+](CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000511437456 561869412 /nfs/dbraw/zinc/86/94/12/561869412.db2.gz ODPYKGNIHGANQC-UHFFFAOYSA-N 1 0 355.442 2.244 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000360828008 554891626 /nfs/dbraw/zinc/89/16/26/554891626.db2.gz GKJUPUFZAXTSHL-UHFFFAOYSA-N 1 0 367.409 2.488 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000361011119 554900089 /nfs/dbraw/zinc/90/00/89/554900089.db2.gz HYBZNBYOXXJWCL-AGUYFDCRSA-N 1 0 353.444 2.054 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118391 555034287 /nfs/dbraw/zinc/03/42/87/555034287.db2.gz XHYCJZPRJIRTFP-ZBINZKHDSA-N 1 0 351.353 2.429 20 5 FEBDRO Cn1cc(C[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363134193 555037567 /nfs/dbraw/zinc/03/75/67/555037567.db2.gz DDFOGBAGQPQCFW-CQSZACIVSA-N 1 0 357.414 2.222 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C1 ZINC000363585035 555142260 /nfs/dbraw/zinc/14/22/60/555142260.db2.gz GBSCOQVFKUFJEA-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653934 555364253 /nfs/dbraw/zinc/36/42/53/555364253.db2.gz WFPXIWUJQIKYEQ-FZMZJTMJSA-N 1 0 363.443 2.121 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000364863263 555418454 /nfs/dbraw/zinc/41/84/54/555418454.db2.gz BUHGABHFTJBZNW-CYBMUJFWSA-N 1 0 354.401 2.478 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364870508 555420465 /nfs/dbraw/zinc/42/04/65/555420465.db2.gz IIQBYNJNWCFXKA-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364934367 555442422 /nfs/dbraw/zinc/44/24/22/555442422.db2.gz OJXHNQPUTYRZEC-HOCLYGCPSA-N 1 0 353.444 2.104 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365059569 555475896 /nfs/dbraw/zinc/47/58/96/555475896.db2.gz ZYRIWHVXUFFMDB-KGLIPLIRSA-N 1 0 359.835 2.140 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000365482108 555587313 /nfs/dbraw/zinc/58/73/13/555587313.db2.gz KUQHNYWCDINDBF-HNNXBMFYSA-N 1 0 373.413 2.244 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366192923 555776875 /nfs/dbraw/zinc/77/68/75/555776875.db2.gz PZILIIDNZSQYDD-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCO[C@H]3CCCCO3)C2)nc1 ZINC000514082744 561959908 /nfs/dbraw/zinc/95/99/08/561959908.db2.gz JJHKVFXSVKODIZ-YOEHRIQHSA-N 1 0 350.419 2.409 20 5 FEBDRO CCCn1nc2c(cc1=O)CN(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000366626938 555893860 /nfs/dbraw/zinc/89/38/60/555893860.db2.gz DWKWNDIIQIKMOJ-UHFFFAOYSA-N 1 0 358.398 2.128 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000366824196 555944015 /nfs/dbraw/zinc/94/40/15/555944015.db2.gz OSVBRPYAQTVIOZ-HNNXBMFYSA-N 1 0 356.430 2.458 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000366942324 555977526 /nfs/dbraw/zinc/97/75/26/555977526.db2.gz YZFKNMXYUXZUOV-MRXNPFEDSA-N 1 0 367.471 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@]2(C1)CCCOC2 ZINC000366948089 555979325 /nfs/dbraw/zinc/97/93/25/555979325.db2.gz VKTFEWMWHLWCNH-UGSOOPFHSA-N 1 0 363.414 2.433 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367325024 556018236 /nfs/dbraw/zinc/01/82/36/556018236.db2.gz AHMYDASLQVNWOV-AWEZNQCLSA-N 1 0 352.822 2.167 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000367592007 556091898 /nfs/dbraw/zinc/09/18/98/556091898.db2.gz BBMZNBLGJBXCEO-SJLPKXTDSA-N 1 0 370.409 2.182 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000367838563 556151706 /nfs/dbraw/zinc/15/17/06/556151706.db2.gz FVXUCNXDXHRWJY-MRXNPFEDSA-N 1 0 355.797 2.484 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1F ZINC000368185442 556242019 /nfs/dbraw/zinc/24/20/19/556242019.db2.gz SNAKKARKIGNETM-ZDUSSCGKSA-N 1 0 371.434 2.053 20 5 FEBDRO CNc1ccc(S(=O)(=O)N(C)C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000515165994 561998631 /nfs/dbraw/zinc/99/86/31/561998631.db2.gz SSESMJVWUXTDKE-JOCQHMNTSA-N 1 0 370.475 2.022 20 5 FEBDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)nn1 ZINC000368346976 556283754 /nfs/dbraw/zinc/28/37/54/556283754.db2.gz IMICEYAICIJACV-HNNXBMFYSA-N 1 0 359.386 2.118 20 5 FEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000368382727 556293476 /nfs/dbraw/zinc/29/34/76/556293476.db2.gz ASMAFAMYEBZFSC-GFCCVEGCSA-N 1 0 354.204 2.229 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC12CC[NH2+]CC2 ZINC000368384886 556293501 /nfs/dbraw/zinc/29/35/01/556293501.db2.gz KYCLBUPQUVUTJQ-AWEZNQCLSA-N 1 0 353.806 2.275 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368385282 556294131 /nfs/dbraw/zinc/29/41/31/556294131.db2.gz NDPPSGVVJTYWJO-HNNXBMFYSA-N 1 0 365.455 2.095 20 5 FEBDRO CO[C@](C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638172 562017837 /nfs/dbraw/zinc/01/78/37/562017837.db2.gz UXUONZORHFDNLR-VQIMIIECSA-N 1 0 360.410 2.486 20 5 FEBDRO Cc1c(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000515704463 562019755 /nfs/dbraw/zinc/01/97/55/562019755.db2.gz ZUNJMCVFBJIPMF-CQSZACIVSA-N 1 0 367.471 2.197 20 5 FEBDRO CN(C(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369008233 556474753 /nfs/dbraw/zinc/47/47/53/556474753.db2.gz HQPUFSZVXNECSM-MRXNPFEDSA-N 1 0 357.414 2.481 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359133 556579439 /nfs/dbraw/zinc/57/94/39/556579439.db2.gz PCIAQJWHULKICT-MRVWCRGKSA-N 1 0 353.444 2.276 20 5 FEBDRO C[C@H](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000516313891 562039433 /nfs/dbraw/zinc/03/94/33/562039433.db2.gz ULRNEENECUHUQD-CYBMUJFWSA-N 1 0 357.414 2.212 20 5 FEBDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975613 556746209 /nfs/dbraw/zinc/74/62/09/556746209.db2.gz SQTPOLPPNNUIFZ-WBVHZDCISA-N 1 0 360.414 2.177 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3F)C2)c1 ZINC000369974994 556746239 /nfs/dbraw/zinc/74/62/39/556746239.db2.gz QVXWXGYAIXCKCI-HIFRSBDPSA-N 1 0 364.377 2.007 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000516605798 562050223 /nfs/dbraw/zinc/05/02/23/562050223.db2.gz JBXSCMSAWXYACO-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCN3CCO[C@H](C)C3)CC2)cc([N+](=O)[O-])c1N ZINC000370587239 556915284 /nfs/dbraw/zinc/91/52/84/556915284.db2.gz DFJFHMLOGHJFPO-OAHLLOKOSA-N 1 0 360.458 2.295 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000370630335 556924838 /nfs/dbraw/zinc/92/48/38/556924838.db2.gz HEHWWKFEGPJPOR-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895123 562063166 /nfs/dbraw/zinc/06/31/66/562063166.db2.gz INGIBAVQVCZMGH-ZIAGYGMSSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000370632349 556926111 /nfs/dbraw/zinc/92/61/11/556926111.db2.gz ZRKBUJSNTZFVGO-LSDHHAIUSA-N 1 0 373.862 2.449 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC([NH2+]C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000370708491 556945652 /nfs/dbraw/zinc/94/56/52/556945652.db2.gz PVYUBHLZRLFYMY-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000370915897 557014595 /nfs/dbraw/zinc/01/45/95/557014595.db2.gz DYMAQALNMXFMBG-KBXCAEBGSA-N 1 0 371.441 2.450 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370926497 557019180 /nfs/dbraw/zinc/01/91/80/557019180.db2.gz BKJOOSWYBJOUCE-YOEHRIQHSA-N 1 0 357.414 2.141 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283539 557130641 /nfs/dbraw/zinc/13/06/41/557130641.db2.gz LDIWWQKIUVKDCO-LPHOPBHVSA-N 1 0 363.458 2.435 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000371359969 557160005 /nfs/dbraw/zinc/16/00/05/557160005.db2.gz ARENTSINZSSYDL-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1sc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000517651810 562094648 /nfs/dbraw/zinc/09/46/48/562094648.db2.gz ATZDXEXBBKHSNN-UHFFFAOYSA-N 1 0 361.427 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000518534708 562113949 /nfs/dbraw/zinc/11/39/49/562113949.db2.gz LGUZNZNOGQAXMW-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372158192 557395199 /nfs/dbraw/zinc/39/51/99/557395199.db2.gz UAJZGXPARYXXKK-KBPBESRZSA-N 1 0 363.414 2.290 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000372328989 557441346 /nfs/dbraw/zinc/44/13/46/557441346.db2.gz DZWGGPKGNIHSFH-AWEZNQCLSA-N 1 0 361.358 2.415 20 5 FEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000372444301 557471944 /nfs/dbraw/zinc/47/19/44/557471944.db2.gz DBMMIGCBUHTNRW-ZSBIGDGJSA-N 1 0 368.231 2.381 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1C ZINC000372791447 557563415 /nfs/dbraw/zinc/56/34/15/557563415.db2.gz ZIUFKZFZQORPIO-HOTGVXAUSA-N 1 0 353.444 2.104 20 5 FEBDRO C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519695619 562140376 /nfs/dbraw/zinc/14/03/76/562140376.db2.gz FDQGUPOQFXHZOP-OAHLLOKOSA-N 1 0 361.442 2.269 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000373049008 557616752 /nfs/dbraw/zinc/61/67/52/557616752.db2.gz XVPDIBGEHTZPRJ-CYBMUJFWSA-N 1 0 373.413 2.426 20 5 FEBDRO O=C1CCCN1C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000373209958 557650420 /nfs/dbraw/zinc/65/04/20/557650420.db2.gz NHAOIBNKHGIPQH-HNNXBMFYSA-N 1 0 362.386 2.480 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520293045 562152623 /nfs/dbraw/zinc/15/26/23/562152623.db2.gz RQFXVOLDKQJBIU-AWEZNQCLSA-N 1 0 362.430 2.470 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471129 557699968 /nfs/dbraw/zinc/69/99/68/557699968.db2.gz KJVICLYMSZBBDF-CABCVRRESA-N 1 0 364.450 2.012 20 5 FEBDRO CCOC(=O)C1(COC)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000373809760 557764465 /nfs/dbraw/zinc/76/44/65/557764465.db2.gz KDONJNJYBRMGFP-UHFFFAOYSA-N 1 0 366.414 2.265 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000373865145 557776229 /nfs/dbraw/zinc/77/62/29/557776229.db2.gz IAAVKKKSMHDPRB-PIGZYNQJSA-N 1 0 360.370 2.276 20 5 FEBDRO O=C1[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCOCC1 ZINC000373925615 557788536 /nfs/dbraw/zinc/78/85/36/557788536.db2.gz YAEJNPPQXHTBHX-ROUUACIJSA-N 1 0 359.426 2.342 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021714 557809256 /nfs/dbraw/zinc/80/92/56/557809256.db2.gz IMUGYAZPPXSNGL-CJNGLKHVSA-N 1 0 355.398 2.137 20 5 FEBDRO CN(CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000374098012 557822986 /nfs/dbraw/zinc/82/29/86/557822986.db2.gz BAARFLPJMSNJIT-UHFFFAOYSA-N 1 0 360.458 2.365 20 5 FEBDRO C[NH+]1CCC2(CCCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000374099036 557823033 /nfs/dbraw/zinc/82/30/33/557823033.db2.gz JNUCUFKRBROCNK-UHFFFAOYSA-N 1 0 357.414 2.419 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000374346546 557869215 /nfs/dbraw/zinc/86/92/15/557869215.db2.gz SMLWXNQKGLJXMW-UHFFFAOYSA-N 1 0 368.409 2.353 20 5 FEBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000521053377 562168535 /nfs/dbraw/zinc/16/85/35/562168535.db2.gz HHNDNNFXVFABJA-KBPBESRZSA-N 1 0 356.220 2.267 20 5 FEBDRO C[N@@H+]1CCO[C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000521053378 562168633 /nfs/dbraw/zinc/16/86/33/562168633.db2.gz HHNDNNFXVFABJA-KGLIPLIRSA-N 1 0 356.220 2.267 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)[C@H]2C1 ZINC000521068026 562169070 /nfs/dbraw/zinc/16/90/70/562169070.db2.gz JKSITZHDTDQJPW-LSDHHAIUSA-N 1 0 350.419 2.076 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000374608952 557906260 /nfs/dbraw/zinc/90/62/60/557906260.db2.gz CXVFDCYMVWBEMM-UBHSHLNASA-N 1 0 362.386 2.319 20 5 FEBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641899 557910871 /nfs/dbraw/zinc/91/08/71/557910871.db2.gz BHCZYNLHJINPJJ-SCLBCKFNSA-N 1 0 372.381 2.420 20 5 FEBDRO COc1cccc([C@@H]2[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)CCN2C2CC2)c1 ZINC000374783115 557930886 /nfs/dbraw/zinc/93/08/86/557930886.db2.gz YTCILXHQNMLEPX-IEBWSBKVSA-N 1 0 371.441 2.368 20 5 FEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374906011 557949043 /nfs/dbraw/zinc/94/90/43/557949043.db2.gz BLPWOBDBDUYRHX-PBHICJAKSA-N 1 0 350.438 2.192 20 5 FEBDRO O=C(CN1CC[C@@H](O)c2ccccc2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374949907 557955444 /nfs/dbraw/zinc/95/54/44/557955444.db2.gz SNHYIXOPKMWPRA-LJQANCHMSA-N 1 0 367.405 2.423 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OC2CC[NH+](C)CC2)c1 ZINC000375006319 557963134 /nfs/dbraw/zinc/96/31/34/557963134.db2.gz TXQHAYRYGFETSL-UHFFFAOYSA-N 1 0 371.397 2.419 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000375064794 557972536 /nfs/dbraw/zinc/97/25/36/557972536.db2.gz ZECISHUFGIUOJE-ZWKOTPCHSA-N 1 0 355.394 2.479 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc(Br)c1F)N1CC[NH+]2CCC1CC2 ZINC000375089446 557975925 /nfs/dbraw/zinc/97/59/25/557975925.db2.gz GSJFSGGNZPTDNY-UHFFFAOYSA-N 1 0 372.194 2.417 20 5 FEBDRO Cc1cccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000375238433 557996872 /nfs/dbraw/zinc/99/68/72/557996872.db2.gz CNMASQPQVZVOHY-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO COc1ccccc1N1CC[C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375673716 558065413 /nfs/dbraw/zinc/06/54/13/558065413.db2.gz QUZHNCMDKDHSCG-OAHLLOKOSA-N 1 0 359.430 2.401 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375699738 558069449 /nfs/dbraw/zinc/06/94/49/558069449.db2.gz XAABNMXOEHBVNM-UHFFFAOYSA-N 1 0 365.434 2.267 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375886026 558093940 /nfs/dbraw/zinc/09/39/40/558093940.db2.gz XSOUSHNIMSGEEB-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376342275 558160372 /nfs/dbraw/zinc/16/03/72/558160372.db2.gz AEWXOUJZZHWSAP-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000521862990 562185192 /nfs/dbraw/zinc/18/51/92/562185192.db2.gz ONSCHZDOCHKXME-CQSZACIVSA-N 1 0 368.455 2.450 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1F ZINC000377061145 558257637 /nfs/dbraw/zinc/25/76/37/558257637.db2.gz KDEMTSBGTCYUMQ-UHFFFAOYSA-N 1 0 365.405 2.499 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[C@H](n3cncn3)C2)ccc1Br ZINC000377282058 558305818 /nfs/dbraw/zinc/30/58/18/558305818.db2.gz ARTMBIXYONSHOV-NSHDSACASA-N 1 0 352.192 2.396 20 5 FEBDRO CNC(=O)c1ccc(N(C)C2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000377481165 558348374 /nfs/dbraw/zinc/34/83/74/558348374.db2.gz HBMIBQWIAAWJLD-UHFFFAOYSA-N 1 0 369.425 2.455 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535189 562199516 /nfs/dbraw/zinc/19/95/16/562199516.db2.gz VBLJIABGXCLCQW-STQMWFEESA-N 1 0 351.451 2.177 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000378060513 558472033 /nfs/dbraw/zinc/47/20/33/558472033.db2.gz QWKWAKCMHXCANR-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378224396 558506230 /nfs/dbraw/zinc/50/62/30/558506230.db2.gz IMGKVMNXOLYSPA-HOCLYGCPSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367405 558540704 /nfs/dbraw/zinc/54/07/04/558540704.db2.gz DKEIFLDTMPDISQ-AWEZNQCLSA-N 1 0 360.458 2.144 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397254809 558623775 /nfs/dbraw/zinc/62/37/75/558623775.db2.gz HUEXEBAWTZMYTE-GMTAPVOTSA-N 1 0 361.851 2.242 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000405203646 558632579 /nfs/dbraw/zinc/63/25/79/558632579.db2.gz CDABYPMLHRRGHX-PWSUYJOCSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000408340607 558668630 /nfs/dbraw/zinc/66/86/30/558668630.db2.gz WPCNORUWBFECKS-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408342948 558669101 /nfs/dbraw/zinc/66/91/01/558669101.db2.gz MFXMEHRSLMZZBV-GJZGRUSLSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000525065846 562240066 /nfs/dbraw/zinc/24/00/66/562240066.db2.gz XIUUHIILWXHLEN-LBPRGKRZSA-N 1 0 351.403 2.072 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](CC(C)C)CC2)c1F ZINC000411123037 558840805 /nfs/dbraw/zinc/84/08/05/558840805.db2.gz CCZWTJNXSMIGMR-UHFFFAOYSA-N 1 0 353.394 2.085 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411313144 558874569 /nfs/dbraw/zinc/87/45/69/558874569.db2.gz AADRBEYRJVFPAT-CJNGLKHVSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411317737 558875592 /nfs/dbraw/zinc/87/55/92/558875592.db2.gz PDBWZGFXSCDUDD-BBRMVZONSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1F ZINC000411411018 558889966 /nfs/dbraw/zinc/88/99/66/558889966.db2.gz FIRWUVDZULHHKY-LBPRGKRZSA-N 1 0 353.394 2.276 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000525574477 562250475 /nfs/dbraw/zinc/25/04/75/562250475.db2.gz COHHNEYXWAPPEE-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411498626 558905814 /nfs/dbraw/zinc/90/58/14/558905814.db2.gz PJXQQEURIVRTIQ-LBPRGKRZSA-N 1 0 361.402 2.359 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000411587606 558923827 /nfs/dbraw/zinc/92/38/27/558923827.db2.gz DNZWBHQFWMAZFN-CQSZACIVSA-N 1 0 362.430 2.091 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000411589109 558924198 /nfs/dbraw/zinc/92/41/98/558924198.db2.gz HJJNRPLUZBDKQZ-AWEZNQCLSA-N 1 0 362.430 2.091 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411680541 558942580 /nfs/dbraw/zinc/94/25/80/558942580.db2.gz XNXNPHKJPJJODN-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411969247 558997167 /nfs/dbraw/zinc/99/71/67/558997167.db2.gz QEIWOGKKUZHEGV-LJQANCHMSA-N 1 0 355.394 2.232 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412090362 559012068 /nfs/dbraw/zinc/01/20/68/559012068.db2.gz UGMRCEYPRIRVDV-AWEZNQCLSA-N 1 0 362.430 2.221 20 5 FEBDRO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413127999 559081007 /nfs/dbraw/zinc/08/10/07/559081007.db2.gz CJFQUMFBKUAAAN-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000413152948 559083499 /nfs/dbraw/zinc/08/34/99/559083499.db2.gz JNIBNHXXZVJZBC-RHSMWYFYSA-N 1 0 360.389 2.424 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1F ZINC000413168191 559085043 /nfs/dbraw/zinc/08/50/43/559085043.db2.gz MKRSYNWIPPDPNT-OCCSQVGLSA-N 1 0 351.378 2.028 20 5 FEBDRO O=[N+]([O-])c1cccc2c(NCC3([NH+]4CCOCC4)CCOCC3)ccnc21 ZINC000413408420 559105783 /nfs/dbraw/zinc/10/57/83/559105783.db2.gz ORTRGIKPPYQQKY-UHFFFAOYSA-N 1 0 372.425 2.436 20 5 FEBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@H+](C)C1 ZINC000413506314 559112645 /nfs/dbraw/zinc/11/26/45/559112645.db2.gz VOQKWSXLUQFUBL-SNVBAGLBSA-N 1 0 361.320 2.155 20 5 FEBDRO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414485369 559168169 /nfs/dbraw/zinc/16/81/69/559168169.db2.gz IARZOSHDHYBHRR-STQMWFEESA-N 1 0 362.382 2.445 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])cc1OCC ZINC000414760604 559185923 /nfs/dbraw/zinc/18/59/23/559185923.db2.gz QZYHMVDKHMFOCU-LBPRGKRZSA-N 1 0 366.418 2.465 20 5 FEBDRO COc1cc(CN[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940991 559196223 /nfs/dbraw/zinc/19/62/23/559196223.db2.gz CGEFOKKVGKGJSM-JQWIXIFHSA-N 1 0 359.373 2.477 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415692520 559262539 /nfs/dbraw/zinc/26/25/39/559262539.db2.gz HCSUEOJAAJQFNP-ZDUSSCGKSA-N 1 0 350.419 2.474 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000415865556 559279829 /nfs/dbraw/zinc/27/98/29/559279829.db2.gz UKXMLGVDRHTRFR-INIZCTEOSA-N 1 0 374.441 2.078 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000416090867 559291553 /nfs/dbraw/zinc/29/15/53/559291553.db2.gz FFCHAZBKJDPRIQ-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416385523 559309070 /nfs/dbraw/zinc/30/90/70/559309070.db2.gz HRBWOYMAIJHKCJ-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000416569832 559322472 /nfs/dbraw/zinc/32/24/72/559322472.db2.gz YUTLIZJOARLDJT-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000417197269 559352491 /nfs/dbraw/zinc/35/24/91/559352491.db2.gz QAQZVTKBHOAUKM-UHFFFAOYSA-N 1 0 358.398 2.274 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417394098 559360602 /nfs/dbraw/zinc/36/06/02/559360602.db2.gz VFDZZEWCMIOOBX-AAEUAGOBSA-N 1 0 356.373 2.241 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000418683204 559411116 /nfs/dbraw/zinc/41/11/16/559411116.db2.gz JMNAMCGPUVDFRA-HDJSIYSDSA-N 1 0 362.430 2.264 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418727423 559412782 /nfs/dbraw/zinc/41/27/82/559412782.db2.gz FBUJGLMQEKTNRC-ZKHDCCDFSA-N 1 0 360.414 2.015 20 5 FEBDRO [NH3+][C@H]1Cc2ccccc2N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000420412113 559486403 /nfs/dbraw/zinc/48/64/03/559486403.db2.gz YIPVVDXCELAPEF-AWEZNQCLSA-N 1 0 368.393 2.283 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420450893 559488057 /nfs/dbraw/zinc/48/80/57/559488057.db2.gz BBPOMAYWPGFOBR-KGLIPLIRSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420450906 559488104 /nfs/dbraw/zinc/48/81/04/559488104.db2.gz BBPOMAYWPGFOBR-ZIAGYGMSSA-N 1 0 353.444 2.056 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000420587571 559493061 /nfs/dbraw/zinc/49/30/61/559493061.db2.gz PWLYBJJHSJOUSM-UHFFFAOYSA-N 1 0 355.398 2.165 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420628433 559494343 /nfs/dbraw/zinc/49/43/43/559494343.db2.gz PCZHMKUGFJQDHK-UHFFFAOYSA-N 1 0 364.494 2.116 20 5 FEBDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921515 559511545 /nfs/dbraw/zinc/51/15/45/559511545.db2.gz DBHYXHPOKDZEEY-QZTJIDSGSA-N 1 0 362.405 2.389 20 5 FEBDRO COC1([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOCC1 ZINC000421024551 559520424 /nfs/dbraw/zinc/52/04/24/559520424.db2.gz CGLFQEYZOZSEEP-LBPRGKRZSA-N 1 0 362.386 2.319 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421286702 559535883 /nfs/dbraw/zinc/53/58/83/559535883.db2.gz GVSLWEUEIUNAAB-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4nnnn4CC3)o2)c1 ZINC000421392881 559540947 /nfs/dbraw/zinc/54/09/47/559540947.db2.gz CUVODZMADFGURE-ZDUSSCGKSA-N 1 0 354.370 2.336 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422555501 559594863 /nfs/dbraw/zinc/59/48/63/559594863.db2.gz QDBPNNMGONRMLX-SWHYSGLUSA-N 1 0 355.460 2.206 20 5 FEBDRO COc1cc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000422627088 559598616 /nfs/dbraw/zinc/59/86/16/559598616.db2.gz MRUKHKOPNFCLAB-LBPRGKRZSA-N 1 0 357.366 2.142 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422640046 559599495 /nfs/dbraw/zinc/59/94/95/559599495.db2.gz UQZWQJBHOBFXRE-UTUOFQBUSA-N 1 0 354.838 2.492 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422780469 559606396 /nfs/dbraw/zinc/60/63/96/559606396.db2.gz HOWJUKSASWWFJX-GFCCVEGCSA-N 1 0 357.360 2.441 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423852735 559642961 /nfs/dbraw/zinc/64/29/61/559642961.db2.gz TWVDVFIMHCECFC-AWEZNQCLSA-N 1 0 363.805 2.299 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423947624 559647632 /nfs/dbraw/zinc/64/76/32/559647632.db2.gz JWXUHAFOBZFOQE-UHFFFAOYSA-N 1 0 360.458 2.158 20 5 FEBDRO Cn1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423960616 559648106 /nfs/dbraw/zinc/64/81/06/559648106.db2.gz NFMWPOHJEKUPGW-MRXNPFEDSA-N 1 0 357.414 2.243 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000423982040 559648908 /nfs/dbraw/zinc/64/89/08/559648908.db2.gz REORATCZQBGXJU-INIZCTEOSA-N 1 0 359.430 2.177 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424030357 559651927 /nfs/dbraw/zinc/65/19/27/559651927.db2.gz ZXNWGHSVKGNECY-GRYCIOLGSA-N 1 0 355.822 2.459 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000424043557 559652454 /nfs/dbraw/zinc/65/24/54/559652454.db2.gz NGMAHLFAPIIFAR-UHFFFAOYSA-N 1 0 359.426 2.487 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000424076019 559654073 /nfs/dbraw/zinc/65/40/73/559654073.db2.gz PWUIKDDQWYQNME-XUJVJEKNSA-N 1 0 363.414 2.217 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504225 559706278 /nfs/dbraw/zinc/70/62/78/559706278.db2.gz VJFDBBBRKKUARN-AWEZNQCLSA-N 1 0 358.402 2.160 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000426777759 559741798 /nfs/dbraw/zinc/74/17/98/559741798.db2.gz QGPQCLQFZCKOQL-LBPRGKRZSA-N 1 0 355.460 2.138 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427896295 559764894 /nfs/dbraw/zinc/76/48/94/559764894.db2.gz NQDVQGZMBPOYOO-UHFFFAOYSA-N 1 0 360.414 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000428551928 559778151 /nfs/dbraw/zinc/77/81/51/559778151.db2.gz LMATYJXBXUBAQW-HNNXBMFYSA-N 1 0 371.393 2.422 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C(C)C ZINC000429396827 559797868 /nfs/dbraw/zinc/79/78/68/559797868.db2.gz CUSQSUOYIRUDGL-YOEHRIQHSA-N 1 0 363.414 2.361 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429482605 559799614 /nfs/dbraw/zinc/79/96/14/559799614.db2.gz UOJKHCVZVYRGST-IAQYHMDHSA-N 1 0 374.445 2.163 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000429493167 559799796 /nfs/dbraw/zinc/79/97/96/559799796.db2.gz HAOPEWWCPJIHTO-STQMWFEESA-N 1 0 370.409 2.049 20 5 FEBDRO CCCN(CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000430966137 559831548 /nfs/dbraw/zinc/83/15/48/559831548.db2.gz MSIIWGGISWPXAW-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000431421732 559838895 /nfs/dbraw/zinc/83/88/95/559838895.db2.gz MMYVAHWOUKRVCC-NSHDSACASA-N 1 0 361.240 2.257 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCO1 ZINC000432543493 559860626 /nfs/dbraw/zinc/86/06/26/559860626.db2.gz UIILJGUFQRYCCP-CYBMUJFWSA-N 1 0 360.414 2.307 20 5 FEBDRO COC(=O)COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432786034 559864976 /nfs/dbraw/zinc/86/49/76/559864976.db2.gz BEGXHJBNNHQFSE-HNNXBMFYSA-N 1 0 365.430 2.063 20 5 FEBDRO Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000435609112 559926042 /nfs/dbraw/zinc/92/60/42/559926042.db2.gz XTDNKSYGNFCRNY-NSHDSACASA-N 1 0 350.400 2.205 20 5 FEBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623051 559926629 /nfs/dbraw/zinc/92/66/29/559926629.db2.gz BNAMQXAZMMUQJT-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000439158815 559989343 /nfs/dbraw/zinc/98/93/43/559989343.db2.gz VVRRXMLMLQNQRY-UHFFFAOYSA-N 1 0 367.833 2.493 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229173 560026644 /nfs/dbraw/zinc/02/66/44/560026644.db2.gz OIVIPDFREYOVGM-HOTGVXAUSA-N 1 0 359.426 2.232 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000443653114 560089349 /nfs/dbraw/zinc/08/93/49/560089349.db2.gz LHSBLNBSYHKBLW-CHWSQXEVSA-N 1 0 353.394 2.353 20 5 FEBDRO CC[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000444858427 560122689 /nfs/dbraw/zinc/12/26/89/560122689.db2.gz MQYLQZLLACSCER-MRXNPFEDSA-N 1 0 370.409 2.262 20 5 FEBDRO CS(=O)(=O)c1cccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000444868745 560123209 /nfs/dbraw/zinc/12/32/09/560123209.db2.gz HIGBVJXZWZJVHD-UHFFFAOYSA-N 1 0 353.444 2.285 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444987659 560126152 /nfs/dbraw/zinc/12/61/52/560126152.db2.gz DLEUUJOLDWJDJD-GXTWGEPZSA-N 1 0 350.419 2.326 20 5 FEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000447078671 560156075 /nfs/dbraw/zinc/15/60/75/560156075.db2.gz UYIBHQIRYAZMST-VCEMYFSSSA-N 1 0 364.442 2.344 20 5 FEBDRO O=C1NCCc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593583 560165008 /nfs/dbraw/zinc/16/50/08/560165008.db2.gz SZOHVNGPKIBCIP-SJORKVTESA-N 1 0 369.425 2.351 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000447940504 560174008 /nfs/dbraw/zinc/17/40/08/560174008.db2.gz BTCFULOSPYDXCZ-MRXNPFEDSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@@]12C[N@@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555954 560189872 /nfs/dbraw/zinc/18/98/72/560189872.db2.gz NSHANPLCDLUPSN-ULAROXBWSA-N 1 0 367.405 2.371 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448977667 560210029 /nfs/dbraw/zinc/21/00/29/560210029.db2.gz ZILKKVZNENOYGB-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000449093846 560215649 /nfs/dbraw/zinc/21/56/49/560215649.db2.gz PUWUSEUQCCFDAB-QAPCUYQASA-N 1 0 365.499 2.323 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000449217692 560220581 /nfs/dbraw/zinc/22/05/81/560220581.db2.gz BAJBBSPUOPKEHD-CYBMUJFWSA-N 1 0 363.439 2.006 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c(F)c1 ZINC000449358884 560226732 /nfs/dbraw/zinc/22/67/32/560226732.db2.gz PCLBWKLVRMJMLC-LBPRGKRZSA-N 1 0 350.371 2.395 20 5 FEBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC([NH3+])C1 ZINC000449637397 560235260 /nfs/dbraw/zinc/23/52/60/560235260.db2.gz ZMYHFBNRXYWFMA-UHFFFAOYSA-N 1 0 360.336 2.364 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000449723654 560238326 /nfs/dbraw/zinc/23/83/26/560238326.db2.gz XHMBPKXDYMWMMN-ZJUUUORDSA-N 1 0 361.320 2.393 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449727265 560238408 /nfs/dbraw/zinc/23/84/08/560238408.db2.gz PCEKASJCEPMZDN-MWLCHTKSSA-N 1 0 356.220 2.143 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000449913462 560245110 /nfs/dbraw/zinc/24/51/10/560245110.db2.gz IQCCTRXSHKCCOR-OAHLLOKOSA-N 1 0 369.425 2.338 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450107734 560250911 /nfs/dbraw/zinc/25/09/11/560250911.db2.gz YKEBCLJXYBGDJR-OAHLLOKOSA-N 1 0 371.441 2.488 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000450320065 560258517 /nfs/dbraw/zinc/25/85/17/560258517.db2.gz MVFANNPFSJHWAQ-CYBMUJFWSA-N 1 0 374.441 2.433 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450351023 560259596 /nfs/dbraw/zinc/25/95/96/560259596.db2.gz SUMXGHGSWCSVCJ-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000450467173 560263334 /nfs/dbraw/zinc/26/33/34/560263334.db2.gz CLOCUJIRGHNEMH-CYBMUJFWSA-N 1 0 374.441 2.433 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450953560 560279787 /nfs/dbraw/zinc/27/97/87/560279787.db2.gz ZCFJQDHMEDWIOD-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000451195143 560292523 /nfs/dbraw/zinc/29/25/23/560292523.db2.gz XESZSLJGOJMMGJ-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])cc1F ZINC000451197634 560292671 /nfs/dbraw/zinc/29/26/71/560292671.db2.gz AKVZKBJIPLAHMX-LBPRGKRZSA-N 1 0 351.378 2.489 20 5 FEBDRO CC(C)OCCOC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000451953976 560340467 /nfs/dbraw/zinc/34/04/67/560340467.db2.gz WDGBAMLCOPLYHS-UHFFFAOYSA-N 1 0 365.430 2.100 20 5 FEBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839440 560375842 /nfs/dbraw/zinc/37/58/42/560375842.db2.gz GHCKTAGJKJWPMC-WBVHZDCISA-N 1 0 361.442 2.269 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455458567 560483156 /nfs/dbraw/zinc/48/31/56/560483156.db2.gz DUUMUIKXMIEKRP-OAHLLOKOSA-N 1 0 350.419 2.126 20 5 FEBDRO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000456326720 560515552 /nfs/dbraw/zinc/51/55/52/560515552.db2.gz GRVLQDQMMOTMLI-INIZCTEOSA-N 1 0 371.441 2.162 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000456897236 560536393 /nfs/dbraw/zinc/53/63/93/560536393.db2.gz KCDHXTDJNKHWCJ-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457202378 560555578 /nfs/dbraw/zinc/55/55/78/560555578.db2.gz HGUPDFHXAMNMIS-UHFFFAOYSA-N 1 0 358.236 2.356 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000457360832 560563756 /nfs/dbraw/zinc/56/37/56/560563756.db2.gz VSJCQBUHUOXESC-CXAGYDPISA-N 1 0 371.441 2.408 20 5 FEBDRO CON1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000459584626 560695788 /nfs/dbraw/zinc/69/57/88/560695788.db2.gz VRWQBKJJTCWUHI-UHFFFAOYSA-N 1 0 350.419 2.189 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744230 560705717 /nfs/dbraw/zinc/70/57/17/560705717.db2.gz DQMGJICKDVOLEC-IUIKQTSFSA-N 1 0 363.414 2.478 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461095188 560761365 /nfs/dbraw/zinc/76/13/65/560761365.db2.gz BUZAGJDPTJIAHH-SUMWQHHRSA-N 1 0 365.430 2.079 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461115512 560761920 /nfs/dbraw/zinc/76/19/20/560761920.db2.gz WCQHUTUYPRQFAA-CXAGYDPISA-N 1 0 365.430 2.079 20 5 FEBDRO Cc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461946592 560789189 /nfs/dbraw/zinc/78/91/89/560789189.db2.gz HETQGIXNCYDXBB-UHFFFAOYSA-N 1 0 352.410 2.397 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000467053239 560902509 /nfs/dbraw/zinc/90/25/09/560902509.db2.gz GOBOPMAMEGICQG-RYUDHWBXSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000467064940 560902762 /nfs/dbraw/zinc/90/27/62/560902762.db2.gz XLALPGKCIKSOQU-UHFFFAOYSA-N 1 0 359.473 2.214 20 5 FEBDRO COc1cc(CCNC(=O)c2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000470372675 560979925 /nfs/dbraw/zinc/97/99/25/560979925.db2.gz LYVREXPHLKFMRZ-UHFFFAOYSA-N 1 0 371.393 2.188 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000471549162 561006992 /nfs/dbraw/zinc/00/69/92/561006992.db2.gz VEWYZUTYYBIQSS-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473999622 561063208 /nfs/dbraw/zinc/06/32/08/561063208.db2.gz GACKVHQWLITACM-JSGCOSHPSA-N 1 0 352.387 2.051 20 5 FEBDRO CCOc1cc(C(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000474100862 561065695 /nfs/dbraw/zinc/06/56/95/561065695.db2.gz XEZCXTTUINZWBM-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COC(=O)COc1ccc(CN[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365399 561072236 /nfs/dbraw/zinc/07/22/36/561072236.db2.gz AQBLBOOFYSKJPX-CABCVRRESA-N 1 0 365.430 2.109 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475097282 561090235 /nfs/dbraw/zinc/09/02/35/561090235.db2.gz YUKSSYMNGBJKGQ-ZBFHGGJFSA-N 1 0 366.414 2.130 20 5 FEBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475110851 561090717 /nfs/dbraw/zinc/09/07/17/561090717.db2.gz OOKCURKMOGPUML-OAHLLOKOSA-N 1 0 366.414 2.395 20 5 FEBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475306630 561094532 /nfs/dbraw/zinc/09/45/32/561094532.db2.gz SUCYAUBWVFBBOV-MRXNPFEDSA-N 1 0 371.441 2.259 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000476252632 561114459 /nfs/dbraw/zinc/11/44/59/561114459.db2.gz MFMWPZACKXXEFS-AWEZNQCLSA-N 1 0 365.430 2.176 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+]2CCCC2)cc1 ZINC000476354719 561117382 /nfs/dbraw/zinc/11/73/82/561117382.db2.gz NTWMKRAGTVCFMU-INIZCTEOSA-N 1 0 357.414 2.204 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000476355158 561117413 /nfs/dbraw/zinc/11/74/13/561117413.db2.gz MJKJEKWUDXWBKK-UHFFFAOYSA-N 1 0 371.441 2.313 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000530463734 562412202 /nfs/dbraw/zinc/41/22/02/562412202.db2.gz HTXXXYUELVYIPS-QGZVFWFLSA-N 1 0 360.458 2.102 20 5 FEBDRO CC(C)[NH+](CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C(C)C ZINC000530588469 562417029 /nfs/dbraw/zinc/41/70/29/562417029.db2.gz XOVFYSDWFGVWML-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340873 562442607 /nfs/dbraw/zinc/44/26/07/562442607.db2.gz ZLYLPIFJOUHDQH-KRWDZBQOSA-N 1 0 350.438 2.334 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000532252598 562471582 /nfs/dbraw/zinc/47/15/82/562471582.db2.gz OOSHRLUEBLMGMP-PBHICJAKSA-N 1 0 362.430 2.099 20 5 FEBDRO C[C@H]1CC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000532672355 562485078 /nfs/dbraw/zinc/48/50/78/562485078.db2.gz PTKNNLPJIQYETD-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000532875134 562491477 /nfs/dbraw/zinc/49/14/77/562491477.db2.gz CEKDYCWCZSCJFG-AWEZNQCLSA-N 1 0 370.409 2.219 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000533193097 562500919 /nfs/dbraw/zinc/50/09/19/562500919.db2.gz LHUQYUWNRXTYQE-UHFFFAOYSA-N 1 0 365.430 2.431 20 5 FEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000534257387 562528710 /nfs/dbraw/zinc/52/87/10/562528710.db2.gz PYMWQDYCTFHQIU-AWEZNQCLSA-N 1 0 372.425 2.403 20 5 FEBDRO CC[C@]1(C)COCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000535566600 562561577 /nfs/dbraw/zinc/56/15/77/562561577.db2.gz KVFRHALYCHZWSD-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000537013850 562584004 /nfs/dbraw/zinc/58/40/04/562584004.db2.gz SYPZOGCZIOGDRO-CVEARBPZSA-N 1 0 353.444 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000541762540 562619308 /nfs/dbraw/zinc/61/93/08/562619308.db2.gz ANBREXXJTINLAT-UHFFFAOYSA-N 1 0 360.395 2.035 20 5 FEBDRO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546206969 562635017 /nfs/dbraw/zinc/63/50/17/562635017.db2.gz OHEJHOGMSITDMI-OAHLLOKOSA-N 1 0 357.414 2.363 20 5 FEBDRO Cn1ncc(C2CC2)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602710434 568018939 /nfs/dbraw/zinc/01/89/39/568018939.db2.gz LBLSYUUMKGPHNV-UHFFFAOYSA-N 1 0 356.430 2.359 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000568678619 568120247 /nfs/dbraw/zinc/12/02/47/568120247.db2.gz OSZNAULMADBWNS-UHFFFAOYSA-N 1 0 373.457 2.099 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOC2CCCCC2)cc1 ZINC000568857556 568237126 /nfs/dbraw/zinc/23/71/26/568237126.db2.gz HKTJMFCRUFZUHD-UHFFFAOYSA-N 1 0 356.444 2.307 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C2=O ZINC000569100798 568275558 /nfs/dbraw/zinc/27/55/58/568275558.db2.gz QRLMQBMPLIIXJI-BZNIZROVSA-N 1 0 366.805 2.188 20 5 FEBDRO Cc1cccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)c1 ZINC000569450401 568402835 /nfs/dbraw/zinc/40/28/35/568402835.db2.gz ZUXDIICZJHOFRX-HKUYNNGSSA-N 1 0 367.409 2.235 20 5 FEBDRO NC(=O)c1cccc(NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000557491202 674450798 /nfs/dbraw/zinc/45/07/98/674450798.db2.gz ASZKAHRPHWJFES-UHFFFAOYSA-N 1 0 364.471 2.467 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000560583253 674600883 /nfs/dbraw/zinc/60/08/83/674600883.db2.gz WPDOVEBFVSBXIL-DZGCQCFKSA-N 1 0 355.460 2.368 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812323592 674665893 /nfs/dbraw/zinc/66/58/93/674665893.db2.gz LMWYRQLUISXYRH-RWMBFGLXSA-N 1 0 367.833 2.426 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000562062921 674719671 /nfs/dbraw/zinc/71/96/71/674719671.db2.gz OHUBPOUAYXZQEP-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cccc(F)c2F)cc1 ZINC000562993857 674832545 /nfs/dbraw/zinc/83/25/45/674832545.db2.gz PXNVTTFYCSCRTN-UHFFFAOYSA-N 1 0 370.377 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000563415703 674884444 /nfs/dbraw/zinc/88/44/44/674884444.db2.gz FLBNVZRHSMGNTA-INIZCTEOSA-N 1 0 361.423 2.150 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986287 674892487 /nfs/dbraw/zinc/89/24/87/674892487.db2.gz BIQAYDWUZWTHDZ-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000564970323 675083261 /nfs/dbraw/zinc/08/32/61/675083261.db2.gz GOKUOEXEUQHJGR-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000817485524 675137731 /nfs/dbraw/zinc/13/77/31/675137731.db2.gz RIGFXMGAJIBQHS-UHFFFAOYSA-N 1 0 352.410 2.403 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)COCc3cccs3)nc2c1 ZINC000570837447 670775942 /nfs/dbraw/zinc/77/59/42/670775942.db2.gz XZMSYUPVCVGYPM-GFCCVEGCSA-N 1 0 362.411 2.200 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](CO)C2CCCCC2)cc1 ZINC000571403578 670869597 /nfs/dbraw/zinc/86/95/97/670869597.db2.gz LLUKAGNCAPVVET-OAHLLOKOSA-N 1 0 370.471 2.147 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000114062330 670889538 /nfs/dbraw/zinc/88/95/38/670889538.db2.gz GLBSQPAJNAYYCG-ZJUUUORDSA-N 1 0 357.794 2.316 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571641965 670905268 /nfs/dbraw/zinc/90/52/68/670905268.db2.gz XBUXXHXWLPLGQT-CABCVRRESA-N 1 0 367.471 2.167 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000572180023 670970483 /nfs/dbraw/zinc/97/04/83/670970483.db2.gz LCXCGXKAXHFNJA-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000572356812 670991928 /nfs/dbraw/zinc/99/19/28/670991928.db2.gz WZSCZOHBHUITKI-GJZGRUSLSA-N 1 0 350.415 2.416 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000572365089 670993552 /nfs/dbraw/zinc/99/35/52/670993552.db2.gz ALGWQHVMPZGNRE-PRHODGIISA-N 1 0 363.748 2.129 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566102120 675180721 /nfs/dbraw/zinc/18/07/21/675180721.db2.gz NPLALNOUUJGIAA-VYUIOLGVSA-N 1 0 356.220 2.474 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000817879851 675184804 /nfs/dbraw/zinc/18/48/04/675184804.db2.gz HHXDBULFMZWJQT-UTUOFQBUSA-N 1 0 354.838 2.492 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609132314 675911137 /nfs/dbraw/zinc/91/11/37/675911137.db2.gz CWESGYGBKIMITK-UKRRQHHQSA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609132312 675911206 /nfs/dbraw/zinc/91/12/06/675911206.db2.gz CWESGYGBKIMITK-DZGCQCFKSA-N 1 0 370.247 2.393 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609279589 675916754 /nfs/dbraw/zinc/91/67/54/675916754.db2.gz OJVDCGZVIMBKDQ-LLVKDONJSA-N 1 0 356.810 2.481 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)c1 ZINC000577503241 671600727 /nfs/dbraw/zinc/60/07/27/671600727.db2.gz NZCXFZWZADSQGE-INIZCTEOSA-N 1 0 364.833 2.418 20 5 FEBDRO C[N@H+](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCSC1 ZINC000578288779 671654103 /nfs/dbraw/zinc/65/41/03/671654103.db2.gz OJQDHWCLUSUIIL-AWEZNQCLSA-N 1 0 362.455 2.172 20 5 FEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578411810 671663076 /nfs/dbraw/zinc/66/30/76/671663076.db2.gz OJSKURZLENRLQK-GFCCVEGCSA-N 1 0 356.220 2.475 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848960 675939131 /nfs/dbraw/zinc/93/91/31/675939131.db2.gz VDWSZVJSWVXXCA-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000580944580 671849323 /nfs/dbraw/zinc/84/93/23/671849323.db2.gz XBVGOLJBLOONBF-UHFFFAOYSA-N 1 0 374.283 2.072 20 5 FEBDRO CC(C)[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581099308 671863394 /nfs/dbraw/zinc/86/33/94/671863394.db2.gz FYDYMJDCGQZTPP-UHFFFAOYSA-N 1 0 364.183 2.402 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119345129 671897459 /nfs/dbraw/zinc/89/74/59/671897459.db2.gz KIQRUIQBMHWZPC-ZDUSSCGKSA-N 1 0 369.468 2.108 20 5 FEBDRO CN(CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119636666 671904164 /nfs/dbraw/zinc/90/41/64/671904164.db2.gz MDBMBMZJCWSUHE-UHFFFAOYSA-N 1 0 355.441 2.067 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610134955 675955890 /nfs/dbraw/zinc/95/58/90/675955890.db2.gz HLLDSCZPVUIBIM-KBPBESRZSA-N 1 0 355.460 2.397 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000581647963 671921291 /nfs/dbraw/zinc/92/12/91/671921291.db2.gz AXFXLHQUMZXWJQ-HNNXBMFYSA-N 1 0 351.403 2.120 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135042 675956175 /nfs/dbraw/zinc/95/61/75/675956175.db2.gz KFRZMQVSKTWMGJ-KBPBESRZSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COCc1cccs1 ZINC000581938849 671951549 /nfs/dbraw/zinc/95/15/49/671951549.db2.gz XNJSREOXHUOZAY-AWEZNQCLSA-N 1 0 352.412 2.332 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000582411073 671999809 /nfs/dbraw/zinc/99/98/09/671999809.db2.gz PZUAQLQZWKODBP-KRWDZBQOSA-N 1 0 361.423 2.409 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000582790405 672034372 /nfs/dbraw/zinc/03/43/72/672034372.db2.gz OPEYPVBXQRYWFW-OLZOCXBDSA-N 1 0 373.500 2.089 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000130462698 672075337 /nfs/dbraw/zinc/07/53/37/672075337.db2.gz BVFTWMBHHUUIEB-JHJVBQTASA-N 1 0 373.450 2.379 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000132357530 672097266 /nfs/dbraw/zinc/09/72/66/672097266.db2.gz LFVBEFCHIJNPNW-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO CCOc1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793067 672216512 /nfs/dbraw/zinc/21/65/12/672216512.db2.gz BHCRDXGLDSDELE-ZWKOTPCHSA-N 1 0 350.415 2.403 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610768609 675995714 /nfs/dbraw/zinc/99/57/14/675995714.db2.gz AAYVNLHEVVTYSY-HNNXBMFYSA-N 1 0 365.455 2.056 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000163857777 672311160 /nfs/dbraw/zinc/31/11/60/672311160.db2.gz UIKXKYLGEXSYLN-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000173903808 672355505 /nfs/dbraw/zinc/35/55/05/672355505.db2.gz DFNJWQLOKYQOIY-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000588820889 672484162 /nfs/dbraw/zinc/48/41/62/672484162.db2.gz ULLSXUHRNINQMO-CABCVRRESA-N 1 0 351.451 2.299 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000589631387 672536306 /nfs/dbraw/zinc/53/63/06/672536306.db2.gz KUUYFCBJQIAEEN-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590046971 672556765 /nfs/dbraw/zinc/55/67/65/672556765.db2.gz QEUYGKLGAQXGHI-YGRLFVJLSA-N 1 0 368.231 2.442 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590442729 672582954 /nfs/dbraw/zinc/58/29/54/672582954.db2.gz GUXMFSXNBNVGEV-MJVIPROJSA-N 1 0 353.806 2.178 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1SC ZINC000590445428 672583428 /nfs/dbraw/zinc/58/34/28/672583428.db2.gz LWHLAYJGNFOGCJ-ZWNOBZJWSA-N 1 0 351.428 2.101 20 5 FEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611374247 676034474 /nfs/dbraw/zinc/03/44/74/676034474.db2.gz HRUFNRIBQVTHIZ-QGZVFWFLSA-N 1 0 350.438 2.334 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590589131 672593375 /nfs/dbraw/zinc/59/33/75/672593375.db2.gz MDOYPANPZNEPBM-GWCFXTLKSA-N 1 0 361.851 2.270 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000591735584 672706593 /nfs/dbraw/zinc/70/65/93/672706593.db2.gz ODXJJCJLNOISPS-OAHLLOKOSA-N 1 0 350.346 2.142 20 5 FEBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000591760860 672708894 /nfs/dbraw/zinc/70/88/94/672708894.db2.gz JZONCOJOCHWIIS-BPQIPLTHSA-N 1 0 350.415 2.129 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]1SC ZINC000592168189 672766470 /nfs/dbraw/zinc/76/64/70/672766470.db2.gz GHYBZESCQUJIBT-FMKPAKJESA-N 1 0 354.428 2.460 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592174534 672767836 /nfs/dbraw/zinc/76/78/36/672767836.db2.gz YBWQOGKKZICYEI-FMKPAKJESA-N 1 0 353.444 2.422 20 5 FEBDRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182506 672768105 /nfs/dbraw/zinc/76/81/05/672768105.db2.gz BQRHDPVYGGMUNW-HUUCEWRRSA-N 1 0 350.415 2.226 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]1SC ZINC000592375836 672794047 /nfs/dbraw/zinc/79/40/47/672794047.db2.gz NMMOJOMBROPQIL-LYRGGWFBSA-N 1 0 354.428 2.365 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000592544321 672812808 /nfs/dbraw/zinc/81/28/08/672812808.db2.gz BUDOYCXBEJBJSW-DGCLKSJQSA-N 1 0 351.403 2.202 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC000593071101 672872167 /nfs/dbraw/zinc/87/21/67/672872167.db2.gz ZTPOCKXIGXQEDV-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000593204916 672891094 /nfs/dbraw/zinc/89/10/94/672891094.db2.gz RUNUYBMTRYBQEC-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO CC[N@H+](CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CCCCC1 ZINC000593248948 672898667 /nfs/dbraw/zinc/89/86/67/672898667.db2.gz HZMJQGYGBMERLJ-UHFFFAOYSA-N 1 0 351.451 2.411 20 5 FEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261680037 672901239 /nfs/dbraw/zinc/90/12/39/672901239.db2.gz HTPVDLYALMODTK-YUMQZZPRSA-N 1 0 360.183 2.306 20 5 FEBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262020845 672907898 /nfs/dbraw/zinc/90/78/98/672907898.db2.gz NFSGCJGSJSTCTN-CQSZACIVSA-N 1 0 354.838 2.068 20 5 FEBDRO COC[C@H](CC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615094 672958573 /nfs/dbraw/zinc/95/85/73/672958573.db2.gz IWAFDXREFICDNS-ZDUSSCGKSA-N 1 0 358.460 2.409 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000593665513 672974348 /nfs/dbraw/zinc/97/43/48/672974348.db2.gz IFUKHWOZJSNPRE-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO O=C1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000593682059 672978037 /nfs/dbraw/zinc/97/80/37/672978037.db2.gz RLVJDMRMPZKNFK-JTQLQIEISA-N 1 0 355.341 2.297 20 5 FEBDRO COC1CC[NH+](CCNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612483983 676084120 /nfs/dbraw/zinc/08/41/20/676084120.db2.gz PHPNODSQBHXWIK-GFCCVEGCSA-N 1 0 353.394 2.064 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000593884320 673004078 /nfs/dbraw/zinc/00/40/78/673004078.db2.gz WSDBMCZPUKIPGS-UHFFFAOYSA-N 1 0 367.471 2.237 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593999452 673019181 /nfs/dbraw/zinc/01/91/81/673019181.db2.gz TYEDBSUKJVYCJP-UHFFFAOYSA-N 1 0 351.447 2.189 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484927 673088508 /nfs/dbraw/zinc/08/85/08/673088508.db2.gz YCUIECZGBCMNTJ-ZIAGYGMSSA-N 1 0 353.444 2.198 20 5 FEBDRO CC(C)Oc1nc(N2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000594585783 673103110 /nfs/dbraw/zinc/10/31/10/673103110.db2.gz GPGVWTBHBZKXGM-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000594655244 673109071 /nfs/dbraw/zinc/10/90/71/673109071.db2.gz YVMJXPVNXVNSLG-UHFFFAOYSA-N 1 0 363.443 2.204 20 5 FEBDRO C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755306 673130944 /nfs/dbraw/zinc/13/09/44/673130944.db2.gz VKZVGGWXWBJOTP-UHFFFAOYSA-N 1 0 370.475 2.122 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594793926 673145211 /nfs/dbraw/zinc/14/52/11/673145211.db2.gz WMPLVAULVIKRJZ-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000595042725 673188984 /nfs/dbraw/zinc/18/89/84/673188984.db2.gz AZMSEZJIVORZOR-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000595411756 673245885 /nfs/dbraw/zinc/24/58/85/673245885.db2.gz SSJCUPISKAJEEM-MRXNPFEDSA-N 1 0 367.471 2.136 20 5 FEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000613349980 676125011 /nfs/dbraw/zinc/12/50/11/676125011.db2.gz WKEPSBLYMINUGO-UHFFFAOYSA-N 1 0 366.443 2.105 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000595595475 673271187 /nfs/dbraw/zinc/27/11/87/673271187.db2.gz JGJFQUJIXKKKRS-KRWDZBQOSA-N 1 0 350.415 2.131 20 5 FEBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815331 673327245 /nfs/dbraw/zinc/32/72/45/673327245.db2.gz OEQSZMKDAHVZMU-HOCLYGCPSA-N 1 0 350.415 2.368 20 5 FEBDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000595922049 673340377 /nfs/dbraw/zinc/34/03/77/673340377.db2.gz NUJOIOLJALXFAO-KBPBESRZSA-N 1 0 351.403 2.092 20 5 FEBDRO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000596016775 673348661 /nfs/dbraw/zinc/34/86/61/673348661.db2.gz UNSAOILKESWANT-CYBMUJFWSA-N 1 0 352.410 2.136 20 5 FEBDRO CC(C)(C)[NH2+]CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000732032052 673351258 /nfs/dbraw/zinc/35/12/58/673351258.db2.gz RCFHHGAACBXWMQ-UHFFFAOYSA-N 1 0 351.375 2.391 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596306512 673375978 /nfs/dbraw/zinc/37/59/78/673375978.db2.gz FFTBJPCDVWZXCH-LBPRGKRZSA-N 1 0 350.419 2.617 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596335189 673377979 /nfs/dbraw/zinc/37/79/79/673377979.db2.gz GNWUKDQNDLWFSR-GFCCVEGCSA-N 1 0 370.475 2.130 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[C@@H](C)[NH+](C)C ZINC000596428666 673384600 /nfs/dbraw/zinc/38/46/00/673384600.db2.gz GIJPODOZIZJTBP-GFCCVEGCSA-N 1 0 358.464 2.035 20 5 FEBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596461234 673387168 /nfs/dbraw/zinc/38/71/68/673387168.db2.gz DAHSSYLACYYFFG-UHFFFAOYSA-N 1 0 362.352 2.070 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733158641 673401024 /nfs/dbraw/zinc/40/10/24/673401024.db2.gz OYVWAJZBMQVDEZ-ZDUSSCGKSA-N 1 0 353.444 2.338 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105819 673448675 /nfs/dbraw/zinc/44/86/75/673448675.db2.gz YBEJVICCPDABIL-LLVKDONJSA-N 1 0 373.841 2.309 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246812 673481108 /nfs/dbraw/zinc/48/11/08/673481108.db2.gz QWQXONWCFPIPML-PWSUYJOCSA-N 1 0 356.329 2.104 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597570700 673488387 /nfs/dbraw/zinc/48/83/87/673488387.db2.gz AKVSAZZKSUOJNH-UHFFFAOYSA-N 1 0 354.204 2.135 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000598000962 673528873 /nfs/dbraw/zinc/52/88/73/673528873.db2.gz WIOSAALFQGCKDW-LBPRGKRZSA-N 1 0 355.460 2.293 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000598466774 673572720 /nfs/dbraw/zinc/57/27/20/673572720.db2.gz UUTRWKZMXAFKNK-UHFFFAOYSA-N 1 0 353.419 2.219 20 5 FEBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000598531694 673579543 /nfs/dbraw/zinc/57/95/43/673579543.db2.gz OVCWQVCMUMMADO-CMPLNLGQSA-N 1 0 370.247 2.499 20 5 FEBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000598535882 673579832 /nfs/dbraw/zinc/57/98/32/673579832.db2.gz KQCLOLBUKXKLHD-GFCCVEGCSA-N 1 0 353.444 2.372 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598611957 673590471 /nfs/dbraw/zinc/59/04/71/673590471.db2.gz WSFLJBZUQHIGSK-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000542576313 673591178 /nfs/dbraw/zinc/59/11/78/673591178.db2.gz FNXUKHOQOCURRI-CHWSQXEVSA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670257 673596798 /nfs/dbraw/zinc/59/67/98/673596798.db2.gz SUABAZBCOPIROU-DYVFJYSZSA-N 1 0 365.455 2.176 20 5 FEBDRO COc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(Cl)cc1[N+](=O)[O-] ZINC000599131485 673635645 /nfs/dbraw/zinc/63/56/45/673635645.db2.gz XDQWUIIUPWEXJW-LBPRGKRZSA-N 1 0 356.810 2.009 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000599911484 673727439 /nfs/dbraw/zinc/72/74/39/673727439.db2.gz WBVBTVBMNSGHPU-DGCLKSJQSA-N 1 0 360.336 2.264 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000600411807 673765350 /nfs/dbraw/zinc/76/53/50/673765350.db2.gz WLJONRGJXKLXBI-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CSCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600568352 673779332 /nfs/dbraw/zinc/77/93/32/673779332.db2.gz BDUOFPJSBBANKQ-UHFFFAOYSA-N 1 0 367.471 2.307 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c[nH]c3c2cccc3Cl)c1 ZINC000600760609 673797267 /nfs/dbraw/zinc/79/72/67/673797267.db2.gz LZMMMQSWOSSWBE-CYBMUJFWSA-N 1 0 363.805 2.119 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880528 673825040 /nfs/dbraw/zinc/82/50/40/673825040.db2.gz ZNMPCIUXPNZAGD-OAHLLOKOSA-N 1 0 355.460 2.384 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601341991 673845117 /nfs/dbraw/zinc/84/51/17/673845117.db2.gz NORAGMMXLSBKAO-STQMWFEESA-N 1 0 371.434 2.053 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601351788 673846578 /nfs/dbraw/zinc/84/65/78/673846578.db2.gz OWCQJIIZZNTDIJ-ZYHUDNBSSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355910 673847112 /nfs/dbraw/zinc/84/71/12/673847112.db2.gz BAJAHIOBTPIOPN-DGCLKSJQSA-N 1 0 359.423 2.003 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000601969244 673900423 /nfs/dbraw/zinc/90/04/23/673900423.db2.gz KJMXZLRVZFNZBE-GASCZTMLSA-N 1 0 368.231 2.429 20 5 FEBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CN(C)CCO1 ZINC000602576409 673908417 /nfs/dbraw/zinc/90/84/17/673908417.db2.gz NAQXLJTYPGVNGS-KCJUWKMLSA-N 1 0 364.265 2.228 20 5 FEBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H](O)C(F)(F)F ZINC000602579339 673908432 /nfs/dbraw/zinc/90/84/32/673908432.db2.gz JTDSWODRWKQDPD-TZMCWYRMSA-N 1 0 362.352 2.250 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602889781 673912648 /nfs/dbraw/zinc/91/26/48/673912648.db2.gz VMQVGTKWCTWPRM-KFWWJZLASA-N 1 0 350.419 2.153 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602888706 673912806 /nfs/dbraw/zinc/91/28/06/673912806.db2.gz AYYODEXRFVCCHW-DLBZAZTESA-N 1 0 350.415 2.403 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602891174 673913239 /nfs/dbraw/zinc/91/32/39/673913239.db2.gz LPZVTMKTIKHNHF-SJORKVTESA-N 1 0 350.415 2.273 20 5 FEBDRO CCOc1cc(C(=O)N(C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000818529660 675223495 /nfs/dbraw/zinc/22/34/95/675223495.db2.gz WDPJOLCAHBCUKU-UHFFFAOYSA-N 1 0 351.403 2.344 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cccnc2OCC(F)F)cc1 ZINC000819196010 675268556 /nfs/dbraw/zinc/26/85/56/675268556.db2.gz BAPGBLGWZAFYFJ-CQSZACIVSA-N 1 0 353.325 2.457 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000567685492 675312678 /nfs/dbraw/zinc/31/26/78/675312678.db2.gz AYPATYAKHUEIMT-HIFRSBDPSA-N 1 0 366.805 2.309 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000567868245 675331157 /nfs/dbraw/zinc/33/11/57/675331157.db2.gz BNESHIQNGVHTFX-SNVBAGLBSA-N 1 0 367.349 2.034 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000822463875 675486574 /nfs/dbraw/zinc/48/65/74/675486574.db2.gz JZXPJRACESBXOC-CHWSQXEVSA-N 1 0 353.423 2.169 20 5 FEBDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2C1)C(F)(F)F ZINC000824831180 675624315 /nfs/dbraw/zinc/62/43/15/675624315.db2.gz VMJWORRRIFXJCI-AAEUAGOBSA-N 1 0 357.332 2.437 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000826068450 675680739 /nfs/dbraw/zinc/68/07/39/675680739.db2.gz HNBYTRXUQJPOHT-UHFFFAOYSA-N 1 0 350.394 2.110 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000603659045 675800728 /nfs/dbraw/zinc/80/07/28/675800728.db2.gz SZNXUOPOTDUQME-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959020 675855337 /nfs/dbraw/zinc/85/53/37/675855337.db2.gz KMGXDTXEXGQIGQ-GHMZBOCLSA-N 1 0 356.785 2.278 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000829294169 675874753 /nfs/dbraw/zinc/87/47/53/675874753.db2.gz ZDOVWAUCMAMWKT-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352324 675876958 /nfs/dbraw/zinc/87/69/58/675876958.db2.gz FREGXVUQDOVZLP-CYBMUJFWSA-N 1 0 352.822 2.039 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000619498491 676381875 /nfs/dbraw/zinc/38/18/75/676381875.db2.gz MRKOBBUYQYPGMK-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000619748033 676393169 /nfs/dbraw/zinc/39/31/69/676393169.db2.gz VUFGLEDEQBRLBA-UHFFFAOYSA-N 1 0 365.411 2.025 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000830277369 677033166 /nfs/dbraw/zinc/03/31/66/677033166.db2.gz KDUHVFRYPZOBTK-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000839433926 680752811 /nfs/dbraw/zinc/75/28/11/680752811.db2.gz QQBZVWJOOYWTFH-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000839537856 680760172 /nfs/dbraw/zinc/76/01/72/680760172.db2.gz BDROMCBBAVYJRB-LBPRGKRZSA-N 1 0 372.443 2.002 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000748151893 679934838 /nfs/dbraw/zinc/93/48/38/679934838.db2.gz SKPBRXFVLFQVKB-OAHLLOKOSA-N 1 0 352.460 2.334 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000748775294 679994707 /nfs/dbraw/zinc/99/47/07/679994707.db2.gz RSLQZSZOJINBMI-UHFFFAOYSA-N 1 0 350.375 2.355 20 5 FEBDRO C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1(C)C ZINC000874099401 685295251 /nfs/dbraw/zinc/29/52/51/685295251.db2.gz WWLVWMGWXMUHKN-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000833553957 680195594 /nfs/dbraw/zinc/19/55/94/680195594.db2.gz YNDLXEHARGQXGE-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000834853294 680277727 /nfs/dbraw/zinc/27/77/27/680277727.db2.gz GXPNJPLVJSUNNQ-LLVKDONJSA-N 1 0 353.806 2.076 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000834889760 680280558 /nfs/dbraw/zinc/28/05/58/680280558.db2.gz JLFGXDJZACMKRX-ZDUSSCGKSA-N 1 0 356.444 2.148 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000997773070 680365617 /nfs/dbraw/zinc/36/56/17/680365617.db2.gz RSLUNTNQNSZBIU-GDBMZVCRSA-N 1 0 351.834 2.333 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000836089714 680419888 /nfs/dbraw/zinc/41/98/88/680419888.db2.gz PZWSLGRMFGMCTE-GFCCVEGCSA-N 1 0 368.821 2.128 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000836090269 680419955 /nfs/dbraw/zinc/41/99/55/680419955.db2.gz XGZKBAWPHYHPGP-GFCCVEGCSA-N 1 0 368.821 2.128 20 5 FEBDRO O=C(NC1(C2CCN(C/C(Cl)=C/Cl)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153078 680421538 /nfs/dbraw/zinc/42/15/38/680421538.db2.gz IEDZMYWWZWIAJQ-FUTHCOOYSA-N 1 0 362.257 2.331 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836638811 680493490 /nfs/dbraw/zinc/49/34/90/680493490.db2.gz JPVNYAOMWLKGQW-LBPRGKRZSA-N 1 0 355.822 2.397 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162273 680866847 /nfs/dbraw/zinc/86/68/47/680866847.db2.gz RVLUPESSPDGCAZ-LDYMZIIASA-N 1 0 357.208 2.477 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841245879 680870911 /nfs/dbraw/zinc/87/09/11/680870911.db2.gz OUAAQWBAOOWWAN-XYPYZODXSA-N 1 0 368.821 2.068 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000766930656 680893385 /nfs/dbraw/zinc/89/33/85/680893385.db2.gz IALAGSFNOIATHJ-ZDUSSCGKSA-N 1 0 352.435 2.050 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000842485768 680950498 /nfs/dbraw/zinc/95/04/98/680950498.db2.gz LXJLNBNROAIUBH-ONGXEEELSA-N 1 0 361.851 2.162 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CCO2 ZINC000844093271 681038203 /nfs/dbraw/zinc/03/82/03/681038203.db2.gz BXSGAVVELIOBOD-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1sccc1Cl)CC2 ZINC001050516963 681049159 /nfs/dbraw/zinc/04/91/59/681049159.db2.gz LDZXNJBKTJQBSL-DGCLKSJQSA-N 1 0 369.874 2.491 20 5 FEBDRO C[C@@H](CO)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000844417097 681057877 /nfs/dbraw/zinc/05/78/77/681057877.db2.gz RWXSDUGSSXNHOR-LBPRGKRZSA-N 1 0 353.394 2.403 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+](C)CC(C)C ZINC000845956725 681164970 /nfs/dbraw/zinc/16/49/70/681164970.db2.gz NZPUNROSWYRUIL-UHFFFAOYSA-N 1 0 361.439 2.299 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774357930 681181036 /nfs/dbraw/zinc/18/10/36/681181036.db2.gz VGCKCXZVDINNNA-MJBXVCDLSA-N 1 0 351.407 2.095 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933714016 681456479 /nfs/dbraw/zinc/45/64/79/681456479.db2.gz SYVHMEGFKZGOKC-JTQLQIEISA-N 1 0 356.308 2.090 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798496 681531652 /nfs/dbraw/zinc/53/16/52/681531652.db2.gz PMKQPFRHXNWESP-NSHDSACASA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000777977226 681551154 /nfs/dbraw/zinc/55/11/54/681551154.db2.gz ICRKKQGKHILCPB-CYBMUJFWSA-N 1 0 373.450 2.441 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916904 685466656 /nfs/dbraw/zinc/46/66/56/685466656.db2.gz SRYNNKYTZJQOMR-ZDUSSCGKSA-N 1 0 353.806 2.324 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000780720475 681866313 /nfs/dbraw/zinc/86/63/13/681866313.db2.gz RXQDLRJNDRNOAT-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850505249 681909808 /nfs/dbraw/zinc/90/98/08/681909808.db2.gz PYHHPODYSPVRTA-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO O=C(CC[NH2+][C@@H](CO)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543140 682056222 /nfs/dbraw/zinc/05/62/22/682056222.db2.gz CLUPGNBCEQDENU-AWEZNQCLSA-N 1 0 353.375 2.447 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000783637060 682161253 /nfs/dbraw/zinc/16/12/53/682161253.db2.gz CJOCHLMPUXNQQU-ZBEGNZNMSA-N 1 0 366.805 2.058 20 5 FEBDRO CC1(C)CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000783713387 682168522 /nfs/dbraw/zinc/16/85/22/682168522.db2.gz AZQFSGKWRMSUCV-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000851895939 682180526 /nfs/dbraw/zinc/18/05/26/682180526.db2.gz FJBGZGMZIUKSPQ-NSHDSACASA-N 1 0 365.814 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C ZINC000918744477 685541873 /nfs/dbraw/zinc/54/18/73/685541873.db2.gz IUEJKMRQQHPTHP-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853131644 682380192 /nfs/dbraw/zinc/38/01/92/682380192.db2.gz SMAXHZCIKBBSAX-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000853131694 682380649 /nfs/dbraw/zinc/38/06/49/682380649.db2.gz LQMUZYFRRZBRRH-CABCVRRESA-N 1 0 356.300 2.369 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000788547968 682538304 /nfs/dbraw/zinc/53/83/04/682538304.db2.gz BZKCYAPQNFMLNQ-UHFFFAOYSA-N 1 0 353.394 2.447 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855285916 682653795 /nfs/dbraw/zinc/65/37/95/682653795.db2.gz JMEQPCVXKYAVSW-SECBINFHSA-N 1 0 371.235 2.355 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000791333910 682735655 /nfs/dbraw/zinc/73/56/55/682735655.db2.gz SHGPPVMHTBOFRT-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000856254421 682758261 /nfs/dbraw/zinc/75/82/61/682758261.db2.gz BPOJVWWJAHNLDX-ZDUSSCGKSA-N 1 0 367.833 2.228 20 5 FEBDRO CC[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000856407742 682776690 /nfs/dbraw/zinc/77/66/90/682776690.db2.gz ABSOQVWEGWFVSU-WCQYABFASA-N 1 0 350.375 2.035 20 5 FEBDRO COC(=O)[C@]12C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]1COCC2 ZINC000793344226 682883587 /nfs/dbraw/zinc/88/35/87/682883587.db2.gz ALTBKYYVYHAVHA-BLLLJJGKSA-N 1 0 354.790 2.260 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000857766087 682910897 /nfs/dbraw/zinc/91/08/97/682910897.db2.gz HSWDWUQFHPLISJ-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857767376 682911024 /nfs/dbraw/zinc/91/10/24/682911024.db2.gz CAQPRIVTKIZVBP-HAQNSBGRSA-N 1 0 357.357 2.448 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000858615313 682985345 /nfs/dbraw/zinc/98/53/45/682985345.db2.gz HCLVBVAYLZTIMV-CYBMUJFWSA-N 1 0 361.851 2.175 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000795072047 683014086 /nfs/dbraw/zinc/01/40/86/683014086.db2.gz GAPYKDYFRRPXNR-UHFFFAOYSA-N 1 0 371.459 2.145 20 5 FEBDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000796156288 683133753 /nfs/dbraw/zinc/13/37/53/683133753.db2.gz BSOYAHXHXUAGNI-CQSZACIVSA-N 1 0 353.423 2.172 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000796195914 683139729 /nfs/dbraw/zinc/13/97/29/683139729.db2.gz AJCGZHJZFSUVFS-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000796294765 683150719 /nfs/dbraw/zinc/15/07/19/683150719.db2.gz NIHSFPFTQVITFT-CQSZACIVSA-N 1 0 362.304 2.401 20 5 FEBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CS(C)(=O)=O ZINC000926953521 683188658 /nfs/dbraw/zinc/18/86/58/683188658.db2.gz MEEMGWYLLVVWDL-UHFFFAOYSA-N 1 0 369.487 2.224 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228069 683325202 /nfs/dbraw/zinc/32/52/02/683325202.db2.gz FZIWKPXBQIAZMR-QMMMGPOBSA-N 1 0 353.803 2.006 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090404 683379569 /nfs/dbraw/zinc/37/95/69/683379569.db2.gz HXVZCQBHECDNAS-HZPDHXFCSA-N 1 0 360.439 2.386 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342958 683391726 /nfs/dbraw/zinc/39/17/26/683391726.db2.gz FQCPLQKAGJZDHP-SUMWQHHRSA-N 1 0 351.403 2.049 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921681316 683542050 /nfs/dbraw/zinc/54/20/50/683542050.db2.gz UTXZORLSZAMKMJ-JKSUJKDBSA-N 1 0 364.471 2.016 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000929832714 683644287 /nfs/dbraw/zinc/64/42/87/683644287.db2.gz DZBSSPGTYLUKGR-BXKDBHETSA-N 1 0 356.329 2.364 20 5 FEBDRO CC(C)O[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCOC1 ZINC000922611773 683753862 /nfs/dbraw/zinc/75/38/62/683753862.db2.gz PIBMMXYPPNYXML-KRWDZBQOSA-N 1 0 352.387 2.040 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893076 684175815 /nfs/dbraw/zinc/17/58/15/684175815.db2.gz KBSUVFAKUVZFPO-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)CCC[NH+]2CCCC2)c(F)c1F ZINC000867346033 684253228 /nfs/dbraw/zinc/25/32/28/684253228.db2.gz YEKYYIFUJCHKOG-UHFFFAOYSA-N 1 0 350.343 2.068 20 5 FEBDRO C[NH+](C)CC1(O)CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000931478915 684289283 /nfs/dbraw/zinc/28/92/83/684289283.db2.gz HGUPCMQPWHNNTF-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000931692281 684331292 /nfs/dbraw/zinc/33/12/92/684331292.db2.gz JTKOQAWESRNYMD-JTQLQIEISA-N 1 0 371.235 2.106 20 5 FEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731343 684338557 /nfs/dbraw/zinc/33/85/57/684338557.db2.gz AUYVGCFMMACCPC-PELKAZGASA-N 1 0 364.299 2.341 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923733668 684342268 /nfs/dbraw/zinc/34/22/68/684342268.db2.gz DDPQNQDAGLIMKR-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923737248 684343252 /nfs/dbraw/zinc/34/32/52/684343252.db2.gz YHKCJZHCTVNMLM-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO C[C@@H]1[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000924008945 684387555 /nfs/dbraw/zinc/38/75/55/684387555.db2.gz SLJGGJRLFAHWMM-BXKDBHETSA-N 1 0 371.235 2.249 20 5 FEBDRO CC[C@H](C[NH+](C)C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000870552395 684729695 /nfs/dbraw/zinc/72/96/95/684729695.db2.gz VMYYWMYAYVQBLB-VXGBXAGGSA-N 1 0 369.443 2.144 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000872020760 684915616 /nfs/dbraw/zinc/91/56/16/684915616.db2.gz KVBMQIPYTJIWCC-LLVKDONJSA-N 1 0 373.500 2.391 20 5 FEBDRO COCCC(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872049218 684917037 /nfs/dbraw/zinc/91/70/37/684917037.db2.gz QKTGLPMPMVTIRY-LBPRGKRZSA-N 1 0 353.394 2.412 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246170 684931604 /nfs/dbraw/zinc/93/16/04/684931604.db2.gz BHQGOSJALWJASW-DLBZAZTESA-N 1 0 350.802 2.475 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000873325734 685111819 /nfs/dbraw/zinc/11/18/19/685111819.db2.gz XVRHXUYEPRRAAE-LKFCYVNXSA-N 1 0 369.219 2.431 20 5 FEBDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000877723292 686445643 /nfs/dbraw/zinc/44/56/43/686445643.db2.gz XODOFKPKPXMLIW-PEBVRCNWSA-N 1 0 350.371 2.043 20 5 FEBDRO CS[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH+](C)C ZINC000878320058 686563950 /nfs/dbraw/zinc/56/39/50/686563950.db2.gz ICBJTBBBVJGJEY-KGLIPLIRSA-N 1 0 363.443 2.122 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583416 686863498 /nfs/dbraw/zinc/86/34/98/686863498.db2.gz YUUONQVVUHQOKW-MLGOLLRUSA-N 1 0 350.394 2.089 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133976 687004339 /nfs/dbraw/zinc/00/43/39/687004339.db2.gz KJQFZGRDYTWYHA-UONOGXRCSA-N 1 0 352.822 2.355 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880453962 687050703 /nfs/dbraw/zinc/05/07/03/687050703.db2.gz XHFWZGASWHHRFJ-MRXNPFEDSA-N 1 0 350.415 2.370 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000882480725 687374402 /nfs/dbraw/zinc/37/44/02/687374402.db2.gz AIQIGRXRQLNEHG-VIFPVBQESA-N 1 0 359.329 2.029 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951474 687972766 /nfs/dbraw/zinc/97/27/66/687972766.db2.gz DZAJHFXVPBFUKW-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO CC(C)c1ccc(C[NH2+]CC2(S(=O)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000886321942 688231439 /nfs/dbraw/zinc/23/14/39/688231439.db2.gz DEMUNZNDZSEEKP-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886908575 688338762 /nfs/dbraw/zinc/33/87/62/688338762.db2.gz VNMWDYYVVLTHRE-DZGCQCFKSA-N 1 0 354.403 2.013 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887934708 688522621 /nfs/dbraw/zinc/52/26/21/688522621.db2.gz RJGPUZYVKPCZPL-NVGCLXPQSA-N 1 0 367.833 2.426 20 5 FEBDRO CCOc1cc(NC(=O)N(CCOC)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000888834790 688680425 /nfs/dbraw/zinc/68/04/25/688680425.db2.gz RIRRRCLTTVZUSB-UHFFFAOYSA-N 1 0 354.407 2.035 20 5 FEBDRO C[C@@H](O)C[NH+]1CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])CC1 ZINC000892315553 689178725 /nfs/dbraw/zinc/17/87/25/689178725.db2.gz OTNQRCSWIFLDEI-LLVKDONJSA-N 1 0 350.806 2.299 20 5 FEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000893535875 689362874 /nfs/dbraw/zinc/36/28/74/689362874.db2.gz QQNOJQBIYHDRRP-ZDUSSCGKSA-N 1 0 352.387 2.284 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000893870528 689420736 /nfs/dbraw/zinc/42/07/36/689420736.db2.gz CGMQJDMRDRZSKM-CYBMUJFWSA-N 1 0 353.444 2.047 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CCCCCO)CC1 ZINC000894963916 689630867 /nfs/dbraw/zinc/63/08/67/689630867.db2.gz GALUESDXESUCDT-UHFFFAOYSA-N 1 0 373.251 2.037 20 5 FEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000895245011 689683188 /nfs/dbraw/zinc/68/31/88/689683188.db2.gz CEOGJAFPJWHCFT-IINYFYTJSA-N 1 0 357.252 2.404 20 5 FEBDRO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895244918 689683228 /nfs/dbraw/zinc/68/32/28/689683228.db2.gz ATKKDTRDWLNFDV-GWCFXTLKSA-N 1 0 357.252 2.404 20 5 FEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@H+](C)CCN1C ZINC000895245012 689683554 /nfs/dbraw/zinc/68/35/54/689683554.db2.gz CEOGJAFPJWHCFT-QMTHXVAHSA-N 1 0 357.252 2.404 20 5 FEBDRO C[C@](CO)([NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000895752455 689766268 /nfs/dbraw/zinc/76/62/68/689766268.db2.gz JCFCRIQDRVQYLZ-OWCLPIDISA-N 1 0 354.378 2.026 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CC23CC(O)C3)c1 ZINC000897843965 690089322 /nfs/dbraw/zinc/08/93/22/690089322.db2.gz KKHBGSLZBZIJQW-OTTFEQOBSA-N 1 0 374.178 2.202 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1F ZINC000898828609 690258864 /nfs/dbraw/zinc/25/88/64/690258864.db2.gz CYVLQMCRDTVOQL-HUUCEWRRSA-N 1 0 351.378 2.345 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154083 690857051 /nfs/dbraw/zinc/85/70/51/690857051.db2.gz WXSHTNCHCYVJOG-AFAVFJNCSA-N 1 0 354.403 2.075 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000903166815 690859085 /nfs/dbraw/zinc/85/90/85/690859085.db2.gz DFUYYHUHBCMJNB-CQSZACIVSA-N 1 0 350.463 2.280 20 5 FEBDRO COCC[C@@H]1C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000903838199 690977432 /nfs/dbraw/zinc/97/74/32/690977432.db2.gz WYOIFZMMKWARPO-GFCCVEGCSA-N 1 0 358.236 2.168 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000905359803 691108282 /nfs/dbraw/zinc/10/82/82/691108282.db2.gz OMPSTRACWQXGNN-INIZCTEOSA-N 1 0 367.471 2.302 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c(C)c1[N+](=O)[O-] ZINC000907856619 691571621 /nfs/dbraw/zinc/57/16/21/691571621.db2.gz BTKSMJGJOZYEIM-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000908205101 691637036 /nfs/dbraw/zinc/63/70/36/691637036.db2.gz VHOWQPMCIHVNQZ-JTQLQIEISA-N 1 0 362.213 2.088 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000908599591 691703422 /nfs/dbraw/zinc/70/34/22/691703422.db2.gz VMNXKUBCEPSRAO-UHFFFAOYSA-N 1 0 369.849 2.142 20 5 FEBDRO O=C(NCC1(Br)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000910222994 691902701 /nfs/dbraw/zinc/90/27/01/691902701.db2.gz VXFCJURHFCPYNO-UHFFFAOYSA-N 1 0 365.187 2.438 20 5 FEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)c1 ZINC001164401437 718862028 /nfs/dbraw/zinc/86/20/28/718862028.db2.gz DRVAGNHONRVPCQ-JOYOIKCWSA-N 1 0 362.764 2.003 20 5 FEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cc([N+](=O)[O-])ccn3)CC2)CC1 ZINC001164614150 719021609 /nfs/dbraw/zinc/02/16/09/719021609.db2.gz CVYKZZGRQQGOIM-UHFFFAOYSA-N 1 0 362.430 2.234 20 5 FEBDRO CC(C)N(C)Cc1nn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164681648 719631615 /nfs/dbraw/zinc/63/16/15/719631615.db2.gz KGKPQNURAFNZPN-UHFFFAOYSA-N 1 0 369.429 2.143 20 5 FEBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907538 721551678 /nfs/dbraw/zinc/55/16/78/721551678.db2.gz OCUDDDXAOTZDLZ-HOCLYGCPSA-N 1 0 373.388 2.053 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931231 721861457 /nfs/dbraw/zinc/86/14/57/721861457.db2.gz UJLZHTWBJSKPRQ-ZWKOTPCHSA-N 1 0 355.442 2.358 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931228 721861489 /nfs/dbraw/zinc/86/14/89/721861489.db2.gz UJLZHTWBJSKPRQ-MSOLQXFVSA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000359872607 210194031 /nfs/dbraw/zinc/19/40/31/210194031.db2.gz OPYXUNYYBMUTKP-IRXDYDNUSA-N 1 0 357.410 2.294 20 5 FEBDRO CC(C)[NH+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000025136287 539749505 /nfs/dbraw/zinc/74/95/05/539749505.db2.gz WTPXYUCBEGASOZ-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000025865672 539771180 /nfs/dbraw/zinc/77/11/80/539771180.db2.gz GPZNRERAVHZLHC-UHFFFAOYSA-N 1 0 358.398 2.130 20 5 FEBDRO COCC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000026447802 539786567 /nfs/dbraw/zinc/78/65/67/539786567.db2.gz KDFPSBBLMKIDBI-UHFFFAOYSA-N 1 0 365.386 2.153 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000028013335 539823729 /nfs/dbraw/zinc/82/37/29/539823729.db2.gz NYKOYNFLIUUBOY-CYBMUJFWSA-N 1 0 355.822 2.335 20 5 FEBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 ZINC000029952355 539869873 /nfs/dbraw/zinc/86/98/73/539869873.db2.gz QDCNORKDOVFUQM-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000076268248 542252672 /nfs/dbraw/zinc/25/26/72/542252672.db2.gz JZBPKCJWWLWWCH-STQMWFEESA-N 1 0 372.429 2.188 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000043285612 540096117 /nfs/dbraw/zinc/09/61/17/540096117.db2.gz BJHHLBSERJZPSH-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000045845981 540230764 /nfs/dbraw/zinc/23/07/64/540230764.db2.gz NBWMKYLMIBSKCO-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047142584 540292546 /nfs/dbraw/zinc/29/25/46/540292546.db2.gz AQFIKZQXNRREHA-CYBMUJFWSA-N 1 0 363.414 2.376 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000047459637 540312537 /nfs/dbraw/zinc/31/25/37/540312537.db2.gz YOKFAGNYYLEQHT-SFHVURJKSA-N 1 0 363.458 2.391 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000047920007 540334383 /nfs/dbraw/zinc/33/43/83/540334383.db2.gz GJPGHKWWODGWGE-CYBMUJFWSA-N 1 0 363.414 2.233 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000052247431 540460202 /nfs/dbraw/zinc/46/02/02/540460202.db2.gz USVNVFVAVDVQIL-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000053264737 540521549 /nfs/dbraw/zinc/52/15/49/540521549.db2.gz UDWBGEWHJWHKOB-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000053667207 540547923 /nfs/dbraw/zinc/54/79/23/540547923.db2.gz AGJBHKOPODDUFR-QWHCGFSZSA-N 1 0 359.835 2.153 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056240508 540713361 /nfs/dbraw/zinc/71/33/61/540713361.db2.gz QHPSSZBPRCWPCG-ZIAGYGMSSA-N 1 0 372.429 2.026 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063466461 541169291 /nfs/dbraw/zinc/16/92/91/541169291.db2.gz QLTIHNCOGYQADZ-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000064598130 541212507 /nfs/dbraw/zinc/21/25/07/541212507.db2.gz LTCQIWNQFZFJRL-MRXNPFEDSA-N 1 0 367.471 2.406 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000065037428 541224026 /nfs/dbraw/zinc/22/40/26/541224026.db2.gz BNSITPMJZCBMQE-UHFFFAOYSA-N 1 0 365.405 2.449 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066105730 541282589 /nfs/dbraw/zinc/28/25/89/541282589.db2.gz SNRHXBJPAVNUFO-LBPRGKRZSA-N 1 0 359.835 2.107 20 5 FEBDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000066568327 541337361 /nfs/dbraw/zinc/33/73/61/541337361.db2.gz ZDVVVJWEBMPZRJ-UHFFFAOYSA-N 1 0 374.485 2.361 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000066663279 541357041 /nfs/dbraw/zinc/35/70/41/541357041.db2.gz ZBAUAQDRQSJMGT-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000067191353 541430161 /nfs/dbraw/zinc/43/01/61/541430161.db2.gz WBIFFAJALZNIKO-ZDUSSCGKSA-N 1 0 361.398 2.066 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000067233329 541435073 /nfs/dbraw/zinc/43/50/73/541435073.db2.gz KPIABHLBNUIKLE-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067429490 541463277 /nfs/dbraw/zinc/46/32/77/541463277.db2.gz BUUJIZBXUYQWFQ-LSDHHAIUSA-N 1 0 353.444 2.062 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000067744386 541507889 /nfs/dbraw/zinc/50/78/89/541507889.db2.gz IPXMDAPKOIPWTM-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[NH+](C)CC(C)(C)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000068045556 541541905 /nfs/dbraw/zinc/54/19/05/541541905.db2.gz ZMZHQHKGGRWAGG-UHFFFAOYSA-N 1 0 364.446 2.067 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068129479 541552758 /nfs/dbraw/zinc/55/27/58/541552758.db2.gz LJYIXHHNBFERHQ-GJZGRUSLSA-N 1 0 351.451 2.056 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000068311546 541575232 /nfs/dbraw/zinc/57/52/32/541575232.db2.gz BKQRZSUQPVBQCS-UHFFFAOYSA-N 1 0 359.430 2.162 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000068468036 541595942 /nfs/dbraw/zinc/59/59/42/541595942.db2.gz GUMYOVYRSNTQBA-UHFFFAOYSA-N 1 0 373.457 2.123 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000068443454 541592761 /nfs/dbraw/zinc/59/27/61/541592761.db2.gz DJRVZWKDDDEYSE-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000069033513 541650486 /nfs/dbraw/zinc/65/04/86/541650486.db2.gz UVCXNBAAIBCHBZ-MSOLQXFVSA-N 1 0 363.458 2.285 20 5 FEBDRO C[N@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000069111423 541658484 /nfs/dbraw/zinc/65/84/84/541658484.db2.gz YNLDHHPCMTVNAS-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069470278 541688212 /nfs/dbraw/zinc/68/82/12/541688212.db2.gz QCLGZFUMHIOIRN-MRXNPFEDSA-N 1 0 362.430 2.243 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C1CCCCC1 ZINC000071080208 541762890 /nfs/dbraw/zinc/76/28/90/541762890.db2.gz RFDKLUVDTTUTQA-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544847826 541842310 /nfs/dbraw/zinc/84/23/10/541842310.db2.gz FXTSLIUXOADERC-UHFFFAOYSA-N 1 0 373.413 2.225 20 5 FEBDRO CCn1cc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cn1 ZINC000072888504 541888333 /nfs/dbraw/zinc/88/83/33/541888333.db2.gz UWBIUIKTRCXFKF-UHFFFAOYSA-N 1 0 354.370 2.269 20 5 FEBDRO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000073796212 542001003 /nfs/dbraw/zinc/00/10/03/542001003.db2.gz VXTCUECGLUSXME-OAHLLOKOSA-N 1 0 361.446 2.123 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000074136925 542042741 /nfs/dbraw/zinc/04/27/41/542042741.db2.gz DICKVPWVNHLBHI-INIZCTEOSA-N 1 0 365.430 2.478 20 5 FEBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C(C)C ZINC000074773091 542120233 /nfs/dbraw/zinc/12/02/33/542120233.db2.gz HRHKOIDCPOTTDG-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000075924222 542215562 /nfs/dbraw/zinc/21/55/62/542215562.db2.gz ISYLGAQFYKQYQX-OLZOCXBDSA-N 1 0 371.459 2.145 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075956188 542218237 /nfs/dbraw/zinc/21/82/37/542218237.db2.gz UAWHEWXLEWHAQV-UHFFFAOYSA-N 1 0 369.853 2.397 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000075964893 542219020 /nfs/dbraw/zinc/21/90/20/542219020.db2.gz GFFCAUZNHIVTLR-HOCLYGCPSA-N 1 0 362.455 2.266 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000076191142 542240992 /nfs/dbraw/zinc/24/09/92/542240992.db2.gz OQDQQRGGBCZHIS-UONOGXRCSA-N 1 0 355.460 2.444 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000016599381 211163631 /nfs/dbraw/zinc/16/36/31/211163631.db2.gz ZQMGJXPWCPZNHK-KRWDZBQOSA-N 1 0 371.393 2.414 20 5 FEBDRO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000077452484 542384164 /nfs/dbraw/zinc/38/41/64/542384164.db2.gz CHXMWMVBVDCOIG-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(CC[NH+](C)C)CC2)c1 ZINC000077457728 542385043 /nfs/dbraw/zinc/38/50/43/542385043.db2.gz RKEXQQCLZPZXBG-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203631 542447299 /nfs/dbraw/zinc/44/72/99/542447299.db2.gz XHYCJZPRJIRTFP-PSOPSSQASA-N 1 0 351.353 2.429 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000078737090 542478190 /nfs/dbraw/zinc/47/81/90/542478190.db2.gz CFEWXYVGARZRPK-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)cc1 ZINC000079076500 542498332 /nfs/dbraw/zinc/49/83/32/542498332.db2.gz AXQSMUSDVFSEPB-AWEZNQCLSA-N 1 0 358.402 2.225 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154520 542569127 /nfs/dbraw/zinc/56/91/27/542569127.db2.gz XVRGIONVYAEPRL-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089924962 542772848 /nfs/dbraw/zinc/77/28/48/542772848.db2.gz ZWRYKGVFLCBYEC-KRWDZBQOSA-N 1 0 360.414 2.153 20 5 FEBDRO C[C@@H](CC1CCCC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015481 542780796 /nfs/dbraw/zinc/78/07/96/542780796.db2.gz OCFMCGGVXPFTQT-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000102331563 543065469 /nfs/dbraw/zinc/06/54/69/543065469.db2.gz JCAYKGIHWHSFAY-HNNXBMFYSA-N 1 0 351.451 2.153 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000104520818 543133394 /nfs/dbraw/zinc/13/33/94/543133394.db2.gz CZXINZXKFMCTFW-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891508 543253218 /nfs/dbraw/zinc/25/32/18/543253218.db2.gz GQWMDMRZWURJSS-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000110974741 543376361 /nfs/dbraw/zinc/37/63/61/543376361.db2.gz HQLHMFMOOPGAJT-CQSZACIVSA-N 1 0 351.451 2.117 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111339986 543397531 /nfs/dbraw/zinc/39/75/31/543397531.db2.gz ZMSYPRBEUGJJPU-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000113301441 543483197 /nfs/dbraw/zinc/48/31/97/543483197.db2.gz IGJUYIGFZPSFNP-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000114377346 543511841 /nfs/dbraw/zinc/51/18/41/543511841.db2.gz KSXIVIISPMMOGJ-CYBMUJFWSA-N 1 0 353.419 2.075 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114382471 543513005 /nfs/dbraw/zinc/51/30/05/543513005.db2.gz RFRUHNHEWIVEPN-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO CCNC(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000552084033 674186334 /nfs/dbraw/zinc/18/63/34/674186334.db2.gz JNELURCNXPVIGS-WBMJQRKESA-N 1 0 350.419 2.062 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000552096205 674186974 /nfs/dbraw/zinc/18/69/74/674186974.db2.gz VBDVAEMNJZPBNY-KGLIPLIRSA-N 1 0 370.475 2.222 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000122811762 543725401 /nfs/dbraw/zinc/72/54/01/543725401.db2.gz KTQAMLIUXPQUHF-MRXNPFEDSA-N 1 0 362.430 2.078 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000124491139 543825766 /nfs/dbraw/zinc/82/57/66/543825766.db2.gz IIZRUMIMUXSBAU-LBPRGKRZSA-N 1 0 352.410 2.414 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000126180768 543922530 /nfs/dbraw/zinc/92/25/30/543922530.db2.gz IIDPGGJIUGJTTP-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CCC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000128008648 544027345 /nfs/dbraw/zinc/02/73/45/544027345.db2.gz GILUQNNVACPGDN-KRWDZBQOSA-N 1 0 363.458 2.405 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000127306889 543985050 /nfs/dbraw/zinc/98/50/50/543985050.db2.gz IXYKFMQSHJIWOB-SJKOYZFVSA-N 1 0 372.425 2.239 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)s1 ZINC000129137474 544092720 /nfs/dbraw/zinc/09/27/20/544092720.db2.gz DUTTXDUOGAJEGZ-UHFFFAOYSA-N 1 0 359.473 2.124 20 5 FEBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)NCc1cccc([N+](=O)[O-])c1 ZINC000129140927 544092822 /nfs/dbraw/zinc/09/28/22/544092822.db2.gz UMYGHPPUNSPJGD-UHFFFAOYSA-N 1 0 354.410 2.452 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COC[C@@H]2CCCO2)C2CC2)cc1 ZINC000130821918 544166649 /nfs/dbraw/zinc/16/66/49/544166649.db2.gz VLOLPNIIFNQKBE-MSOLQXFVSA-N 1 0 350.415 2.116 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833880 544167203 /nfs/dbraw/zinc/16/72/03/544167203.db2.gz URFCIHIFEJOWQN-MNOVXSKESA-N 1 0 373.356 2.339 20 5 FEBDRO C[C@H]1C[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000131961204 544213614 /nfs/dbraw/zinc/21/36/14/544213614.db2.gz OMLBRBLDAXLLEB-RDJZCZTQSA-N 1 0 371.441 2.208 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131997365 544214639 /nfs/dbraw/zinc/21/46/39/544214639.db2.gz VKIRKXLKIWFHQQ-WMLDXEAASA-N 1 0 360.414 2.283 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000133195424 544260075 /nfs/dbraw/zinc/26/00/75/544260075.db2.gz NWNSIUSDTCSZOH-JTQLQIEISA-N 1 0 370.837 2.279 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000133759619 544282099 /nfs/dbraw/zinc/28/20/99/544282099.db2.gz XLSBJZFHYNUYKJ-TZMCWYRMSA-N 1 0 364.402 2.224 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000134914037 544327053 /nfs/dbraw/zinc/32/70/53/544327053.db2.gz GZQVPKQFSQVAIT-GOEBONIOSA-N 1 0 371.441 2.306 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134932147 544328619 /nfs/dbraw/zinc/32/86/19/544328619.db2.gz IEESJVHSEASLAW-UHFFFAOYSA-N 1 0 368.865 2.346 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000139298860 544401723 /nfs/dbraw/zinc/40/17/23/544401723.db2.gz AINAOUKVVHJUKL-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865559 544380428 /nfs/dbraw/zinc/38/04/28/544380428.db2.gz XXKUAKIDZAGIBO-VQTJNVASSA-N 1 0 371.437 2.291 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000151635472 544564610 /nfs/dbraw/zinc/56/46/10/544564610.db2.gz NQZCLZZBMNITGI-LBPRGKRZSA-N 1 0 373.862 2.355 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152450206 544654803 /nfs/dbraw/zinc/65/48/03/544654803.db2.gz HLFKTCPQFHVLPX-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000152886143 544707751 /nfs/dbraw/zinc/70/77/51/544707751.db2.gz BCUNWEBAQUXOSD-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153495871 544782448 /nfs/dbraw/zinc/78/24/48/544782448.db2.gz OBCJMZINRVPODN-UWVGGRQHSA-N 1 0 361.320 2.358 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153517404 544785820 /nfs/dbraw/zinc/78/58/20/544785820.db2.gz QKCBAZIQUMVLPA-JTQLQIEISA-N 1 0 373.356 2.371 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154706493 544939694 /nfs/dbraw/zinc/93/96/94/544939694.db2.gz ZXIFFHZGVQKQKR-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000154932745 544967648 /nfs/dbraw/zinc/96/76/48/544967648.db2.gz NLBPIJNIQRVFEK-GOOCMWNKSA-N 1 0 355.398 2.243 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154955084 544970867 /nfs/dbraw/zinc/97/08/67/544970867.db2.gz AJEMKWJNKYFLKM-HNNXBMFYSA-N 1 0 355.460 2.231 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000553227005 674246428 /nfs/dbraw/zinc/24/64/28/674246428.db2.gz NSDJBGWNNHXSNM-BETUJISGSA-N 1 0 371.459 2.145 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000553415372 674259920 /nfs/dbraw/zinc/25/99/20/674259920.db2.gz GJZFWPKMDRLXDS-STQMWFEESA-N 1 0 350.419 2.394 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])CC(C)C ZINC000180010885 327668134 /nfs/dbraw/zinc/66/81/34/327668134.db2.gz AEEBSQBHYDCFFN-CYBMUJFWSA-N 1 0 372.491 2.411 20 5 FEBDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181685700 327741701 /nfs/dbraw/zinc/74/17/01/327741701.db2.gz UTWCJCARAPLVQW-CQSZACIVSA-N 1 0 369.377 2.457 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH2+]CC2)cc1OC ZINC000183332953 327812307 /nfs/dbraw/zinc/81/23/07/327812307.db2.gz OCJUUVIZZYKYGQ-UHFFFAOYSA-N 1 0 351.403 2.122 20 5 FEBDRO CC(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000804340740 674281410 /nfs/dbraw/zinc/28/14/10/674281410.db2.gz IZZHYTOBMGVNAJ-HNNXBMFYSA-N 1 0 351.407 2.187 20 5 FEBDRO Cn1c(Sc2c([N+](=O)[O-])cccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000804463180 674288084 /nfs/dbraw/zinc/28/80/84/674288084.db2.gz ISWKOVQOVFNSDT-VIFPVBQESA-N 1 0 364.387 2.250 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000185588322 327923710 /nfs/dbraw/zinc/92/37/10/327923710.db2.gz OQKOBYIODJKOJK-UHFFFAOYSA-N 1 0 361.446 2.300 20 5 FEBDRO C[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C[NH+]1CCCC1 ZINC000188808093 328112056 /nfs/dbraw/zinc/11/20/56/328112056.db2.gz WCWATAMUIXZFKU-AWEZNQCLSA-N 1 0 362.430 2.099 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC12CCCC2 ZINC000189167166 328132749 /nfs/dbraw/zinc/13/27/49/328132749.db2.gz ZPAREWZZMCGGGZ-HNNXBMFYSA-N 1 0 353.444 2.186 20 5 FEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000189610599 328157915 /nfs/dbraw/zinc/15/79/15/328157915.db2.gz YBILMCSMLDEPDW-QGZVFWFLSA-N 1 0 351.403 2.169 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000190204647 328194151 /nfs/dbraw/zinc/19/41/51/328194151.db2.gz XBIFHGIYYFPQBV-NWDGAFQWSA-N 1 0 350.341 2.063 20 5 FEBDRO CCc1nc(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000190656575 328222446 /nfs/dbraw/zinc/22/24/46/328222446.db2.gz XBCJTYYQUSHKPW-GFCCVEGCSA-N 1 0 372.429 2.482 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000191406338 328264177 /nfs/dbraw/zinc/26/41/77/328264177.db2.gz SMNHOPFGSDWLOH-CYBMUJFWSA-N 1 0 363.462 2.217 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191656724 328276101 /nfs/dbraw/zinc/27/61/01/328276101.db2.gz ZCKVDDSCLHEDLT-SFHVURJKSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1cccc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000192685394 328333137 /nfs/dbraw/zinc/33/31/37/328333137.db2.gz XTPAQCKIFGSGIM-UHFFFAOYSA-N 1 0 371.393 2.267 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000193242838 328364658 /nfs/dbraw/zinc/36/46/58/328364658.db2.gz KLUDBGKXZQTMJR-ZACCUICWSA-N 1 0 359.835 2.118 20 5 FEBDRO COc1cccc2c1CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000193719976 328391555 /nfs/dbraw/zinc/39/15/55/328391555.db2.gz HEKYHFHAAZDTSS-UHFFFAOYSA-N 1 0 355.394 2.303 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000193925140 328402620 /nfs/dbraw/zinc/40/26/20/328402620.db2.gz ARHYSLPFHAUTLG-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000194280103 328418009 /nfs/dbraw/zinc/41/80/09/328418009.db2.gz JUSHGSZHRQAGRJ-CQSZACIVSA-N 1 0 363.439 2.266 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000195334564 328472621 /nfs/dbraw/zinc/47/26/21/328472621.db2.gz KVOWDIUGACQGHH-UHFFFAOYSA-N 1 0 372.473 2.349 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000236865546 328496506 /nfs/dbraw/zinc/49/65/06/328496506.db2.gz SBMYVJMBGSHEDZ-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457572 325254721 /nfs/dbraw/zinc/25/47/21/325254721.db2.gz IFUVLQLDOSZHDW-ZIAGYGMSSA-N 1 0 364.446 2.105 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000085455779 325254739 /nfs/dbraw/zinc/25/47/39/325254739.db2.gz STZOZFPVEHXFLY-CHWSQXEVSA-N 1 0 353.394 2.353 20 5 FEBDRO [NH3+][C@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000237852127 328531498 /nfs/dbraw/zinc/53/14/98/328531498.db2.gz YWSPQODPQCWLNG-QMMMGPOBSA-N 1 0 370.196 2.261 20 5 FEBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090515945 325361518 /nfs/dbraw/zinc/36/15/18/325361518.db2.gz GZQIVJQQRVCIGS-CQSZACIVSA-N 1 0 368.397 2.030 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000090519092 325362206 /nfs/dbraw/zinc/36/22/06/325362206.db2.gz LHPLJLKOIGMQJH-GOSISDBHSA-N 1 0 357.410 2.438 20 5 FEBDRO COc1ccccc1NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090559357 325363462 /nfs/dbraw/zinc/36/34/62/325363462.db2.gz DTEVUGMQTPHURQ-UHFFFAOYSA-N 1 0 372.425 2.342 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000092980618 325430261 /nfs/dbraw/zinc/43/02/61/325430261.db2.gz VQPDPZUWOLNWQG-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO [NH3+]C[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237968039 328536076 /nfs/dbraw/zinc/53/60/76/328536076.db2.gz IUVLLDUOZKHQFV-SECBINFHSA-N 1 0 368.242 2.404 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000107620731 325631501 /nfs/dbraw/zinc/63/15/01/325631501.db2.gz AVWBFJFPFBIOSO-INIZCTEOSA-N 1 0 363.462 2.357 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000109275625 325663366 /nfs/dbraw/zinc/66/33/66/325663366.db2.gz BKXQDJKGNVTTSK-GFCCVEGCSA-N 1 0 359.430 2.496 20 5 FEBDRO Cc1cccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000110014169 325681843 /nfs/dbraw/zinc/68/18/43/325681843.db2.gz JHPIJOLLDITXAF-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116588401 326026410 /nfs/dbraw/zinc/02/64/10/326026410.db2.gz RTWKUDVTHZFTAZ-OAHLLOKOSA-N 1 0 364.446 2.324 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652532 326028615 /nfs/dbraw/zinc/02/86/15/326028615.db2.gz LELXTAJSBUMFQP-QWHCGFSZSA-N 1 0 351.451 2.035 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[NH+](C)C ZINC000117259235 326053528 /nfs/dbraw/zinc/05/35/28/326053528.db2.gz NXLJEBDVLWZSOY-ZDUSSCGKSA-N 1 0 360.414 2.142 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000118113025 326082264 /nfs/dbraw/zinc/08/22/64/326082264.db2.gz NQOHYVGTBCKVQW-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000121190272 326320256 /nfs/dbraw/zinc/32/02/56/326320256.db2.gz TXNSNNWKHXMGBZ-UHFFFAOYSA-N 1 0 365.361 2.296 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000122169960 326386359 /nfs/dbraw/zinc/38/63/59/326386359.db2.gz XHKABQBELVZLOY-HOCLYGCPSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000122830151 326410779 /nfs/dbraw/zinc/41/07/79/326410779.db2.gz DGNDGPBPWPRNHI-INIZCTEOSA-N 1 0 362.430 2.078 20 5 FEBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000123280396 326426034 /nfs/dbraw/zinc/42/60/34/326426034.db2.gz JIFQFVZYBOTHDW-GHMZBOCLSA-N 1 0 367.349 2.162 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128751460 326529180 /nfs/dbraw/zinc/52/91/80/326529180.db2.gz IXLJKUWTFSEZDE-CQSZACIVSA-N 1 0 352.410 2.479 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000158137587 326886204 /nfs/dbraw/zinc/88/62/04/326886204.db2.gz IMBLQFVYDBTKFM-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000159008067 326916139 /nfs/dbraw/zinc/91/61/39/326916139.db2.gz RLMIZBRTAQOQHW-LBPRGKRZSA-N 1 0 350.375 2.191 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000162333993 327022895 /nfs/dbraw/zinc/02/28/95/327022895.db2.gz ATHCLMFJFGLLKX-UHFFFAOYSA-N 1 0 361.402 2.301 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140077 327065142 /nfs/dbraw/zinc/06/51/42/327065142.db2.gz CFYAMMMPWUHJFW-DOMZBBRYSA-N 1 0 362.386 2.368 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000164275201 327067760 /nfs/dbraw/zinc/06/77/60/327067760.db2.gz WDGBWYUCHKODJR-OCCSQVGLSA-N 1 0 363.414 2.168 20 5 FEBDRO COc1cc(OCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000170684669 327094008 /nfs/dbraw/zinc/09/40/08/327094008.db2.gz SEFHYXJSBAFLCH-CQSZACIVSA-N 1 0 363.414 2.069 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171199300 327124293 /nfs/dbraw/zinc/12/42/93/327124293.db2.gz LIDDOMCGQCRKMC-CQSZACIVSA-N 1 0 364.446 2.456 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172408830 327200301 /nfs/dbraw/zinc/20/03/01/327200301.db2.gz JOMLLHHFZZQPTD-UHFFFAOYSA-N 1 0 362.474 2.061 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000173023138 327231007 /nfs/dbraw/zinc/23/10/07/327231007.db2.gz KMOHVTYGQLGCJN-JTQLQIEISA-N 1 0 359.835 2.011 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173668960 327275037 /nfs/dbraw/zinc/27/50/37/327275037.db2.gz QWSFUQBIOYMMOW-ZDUSSCGKSA-N 1 0 371.459 2.098 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173668942 327275153 /nfs/dbraw/zinc/27/51/53/327275153.db2.gz QWSFUQBIOYMMOW-CYBMUJFWSA-N 1 0 371.459 2.098 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173832190 327287474 /nfs/dbraw/zinc/28/74/74/327287474.db2.gz UVJGBTBJCCHEMD-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000173999412 327300732 /nfs/dbraw/zinc/30/07/32/327300732.db2.gz UDBZBBPRZMSWHH-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000174125923 327307517 /nfs/dbraw/zinc/30/75/17/327307517.db2.gz RRVDMPWVQPOAJZ-KRWDZBQOSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174141329 327308288 /nfs/dbraw/zinc/30/82/88/327308288.db2.gz FICHLZXBZNSJNX-OLZOCXBDSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174191430 327311977 /nfs/dbraw/zinc/31/19/77/327311977.db2.gz GKMBTMFOKPNDIU-AWEZNQCLSA-N 1 0 362.430 2.231 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175080490 327372776 /nfs/dbraw/zinc/37/27/76/327372776.db2.gz RXHFSKALRRKYQG-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175100948 327374170 /nfs/dbraw/zinc/37/41/70/327374170.db2.gz LNJUBHKSIGEWFC-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175130904 327375936 /nfs/dbraw/zinc/37/59/36/327375936.db2.gz ZZGGNBJNVKALFN-KGLIPLIRSA-N 1 0 355.460 2.315 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000175236576 327381770 /nfs/dbraw/zinc/38/17/70/327381770.db2.gz SZAOWRXVOIXGJR-UHFFFAOYSA-N 1 0 351.447 2.272 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000177499444 327526771 /nfs/dbraw/zinc/52/67/71/327526771.db2.gz KDBFWSYALHOQBC-YOEHRIQHSA-N 1 0 357.414 2.383 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)CC(C)C ZINC000178278095 327575673 /nfs/dbraw/zinc/57/56/73/327575673.db2.gz JLQKXZJUODRZPL-AWEZNQCLSA-N 1 0 372.491 2.411 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]12 ZINC000248611348 328729386 /nfs/dbraw/zinc/72/93/86/328729386.db2.gz KWTKUUJCTXTFDB-XOKHGSTOSA-N 1 0 358.442 2.394 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261606675 328804804 /nfs/dbraw/zinc/80/48/04/328804804.db2.gz ABNYELBDTMZTKQ-JKSUJKDBSA-N 1 0 361.423 2.019 20 5 FEBDRO O=C(CN1CC[NH2+]C[C@@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261613286 328805434 /nfs/dbraw/zinc/80/54/34/328805434.db2.gz CCXGQYUSBAERJA-QGZVFWFLSA-N 1 0 358.373 2.319 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000261662018 328809695 /nfs/dbraw/zinc/80/96/95/328809695.db2.gz FHAFJRLYBNBSED-SECBINFHSA-N 1 0 360.183 2.320 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261680002 328811046 /nfs/dbraw/zinc/81/10/46/328811046.db2.gz DBOUMEXWECZDBX-UHFFFAOYSA-N 1 0 356.426 2.345 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262807657 328891321 /nfs/dbraw/zinc/89/13/21/328891321.db2.gz ONLDZVBVXDHTRZ-RNCFNFMXSA-N 1 0 356.220 2.014 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264545501 329034421 /nfs/dbraw/zinc/03/44/21/329034421.db2.gz BMFJOJWUHQGTGF-MRXNPFEDSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000264568817 329036470 /nfs/dbraw/zinc/03/64/70/329036470.db2.gz WPHQLRWNOVFPON-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000264607629 329040128 /nfs/dbraw/zinc/04/01/28/329040128.db2.gz OUMXZSKWYGIYDV-CYBMUJFWSA-N 1 0 373.862 2.497 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264606129 329040227 /nfs/dbraw/zinc/04/02/27/329040227.db2.gz OOFCNNPHEYYXOD-OAHLLOKOSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264649036 329044426 /nfs/dbraw/zinc/04/44/26/329044426.db2.gz WSKUBOAFUKXBPF-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000264697749 329050249 /nfs/dbraw/zinc/05/02/49/329050249.db2.gz CHAMKVPEFSUYDM-UHFFFAOYSA-N 1 0 353.444 2.421 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C)CC1 ZINC000264944253 329077065 /nfs/dbraw/zinc/07/70/65/329077065.db2.gz WPURFSAOFNKQTH-MRXNPFEDSA-N 1 0 374.441 2.343 20 5 FEBDRO Cc1nn(C)c(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)c1[N+](=O)[O-] ZINC000265477119 329131207 /nfs/dbraw/zinc/13/12/07/329131207.db2.gz RDPNOOQCTMMTPR-UHFFFAOYSA-N 1 0 365.463 2.427 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265897716 329170523 /nfs/dbraw/zinc/17/05/23/329170523.db2.gz CHUBIAXEUZNMRE-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265953121 329176146 /nfs/dbraw/zinc/17/61/46/329176146.db2.gz NENTZODIZJNCQV-LBPRGKRZSA-N 1 0 351.403 2.026 20 5 FEBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000266197556 329199568 /nfs/dbraw/zinc/19/95/68/329199568.db2.gz CMYKVGSKHXHHGE-UHFFFAOYSA-N 1 0 364.402 2.074 20 5 FEBDRO COCCCC[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266417651 329220812 /nfs/dbraw/zinc/22/08/12/329220812.db2.gz ABJKLDPRJWBWOC-SFHVURJKSA-N 1 0 362.430 2.081 20 5 FEBDRO Cn1ccnc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000266437625 329222840 /nfs/dbraw/zinc/22/28/40/329222840.db2.gz FTLUZSJADBNAKB-UHFFFAOYSA-N 1 0 355.354 2.037 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000266913219 329271993 /nfs/dbraw/zinc/27/19/93/329271993.db2.gz MALSCBRPLGBGKV-UHFFFAOYSA-N 1 0 353.419 2.464 20 5 FEBDRO COc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000266933264 329274187 /nfs/dbraw/zinc/27/41/87/329274187.db2.gz PIAPVTOODXONMZ-OAHLLOKOSA-N 1 0 362.382 2.181 20 5 FEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266966365 329277954 /nfs/dbraw/zinc/27/79/54/329277954.db2.gz ZSDLGIMENJKSMX-JSGCOSHPSA-N 1 0 353.423 2.026 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000266996991 329281341 /nfs/dbraw/zinc/28/13/41/329281341.db2.gz XBQBKFQHSPHKSO-UHFFFAOYSA-N 1 0 358.398 2.471 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267351274 329317604 /nfs/dbraw/zinc/31/76/04/329317604.db2.gz FODKSXFTCVJNMD-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])cc1Br ZINC000267417097 329325068 /nfs/dbraw/zinc/32/50/68/329325068.db2.gz SYUXAFQMTAIRQB-UHFFFAOYSA-N 1 0 373.236 2.016 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000267465981 329330518 /nfs/dbraw/zinc/33/05/18/329330518.db2.gz LYEJKWYWQVVQPG-LLVKDONJSA-N 1 0 354.204 2.278 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000267498335 329333255 /nfs/dbraw/zinc/33/32/55/329333255.db2.gz RVCJINFFEZLVFY-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267954291 329371362 /nfs/dbraw/zinc/37/13/62/329371362.db2.gz QYMODMUPVFHMBZ-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000270627738 329616654 /nfs/dbraw/zinc/61/66/54/329616654.db2.gz GVONHKIWSYFAOA-UHFFFAOYSA-N 1 0 355.460 2.405 20 5 FEBDRO NC(=O)CCC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271247443 329676661 /nfs/dbraw/zinc/67/66/61/329676661.db2.gz QTGRNHLHOXKDJK-UHFFFAOYSA-N 1 0 359.386 2.122 20 5 FEBDRO Cc1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])ccc1OCC[NH+]1CCCC1 ZINC000271464320 329695846 /nfs/dbraw/zinc/69/58/46/329695846.db2.gz XPFCZUJRQFGUQP-UHFFFAOYSA-N 1 0 373.413 2.364 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331791747 330201408 /nfs/dbraw/zinc/20/14/08/330201408.db2.gz KHMMLVSZAXLGQG-CYBMUJFWSA-N 1 0 366.393 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000804848855 674303499 /nfs/dbraw/zinc/30/34/99/674303499.db2.gz LAYZQJZYCNZIJJ-AWEZNQCLSA-N 1 0 352.387 2.117 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158704120 545887156 /nfs/dbraw/zinc/88/71/56/545887156.db2.gz KFXWLDPXWWZASK-AWEZNQCLSA-N 1 0 372.425 2.110 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 ZINC000478400314 561165987 /nfs/dbraw/zinc/16/59/87/561165987.db2.gz OLGCXQITFPMALI-UHFFFAOYSA-N 1 0 351.403 2.185 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160242158 546021844 /nfs/dbraw/zinc/02/18/44/546021844.db2.gz LDXXHOBATSCCNY-LRDDRELGSA-N 1 0 355.398 2.021 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000160341366 546031296 /nfs/dbraw/zinc/03/12/96/546031296.db2.gz ONTICDAZGKZWIZ-ROUUACIJSA-N 1 0 361.442 2.401 20 5 FEBDRO COc1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1[N+](=O)[O-] ZINC000160561859 546052216 /nfs/dbraw/zinc/05/22/16/546052216.db2.gz YGIHDERRPLSQSP-UHFFFAOYSA-N 1 0 360.414 2.172 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000161449070 546130836 /nfs/dbraw/zinc/13/08/36/546130836.db2.gz WJUCGZXHUZNFTG-HNNXBMFYSA-N 1 0 369.487 2.177 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000172100709 546237211 /nfs/dbraw/zinc/23/72/11/546237211.db2.gz NRBRRJRJCJWRGB-HNNXBMFYSA-N 1 0 369.849 2.264 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479793743 561197209 /nfs/dbraw/zinc/19/72/09/561197209.db2.gz QWIUZCHOARSHIP-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CCCCCC1 ZINC000173683514 546285783 /nfs/dbraw/zinc/28/57/83/546285783.db2.gz YGYMLBXZSLVTKL-CABCVRRESA-N 1 0 361.446 2.267 20 5 FEBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000480053940 561202144 /nfs/dbraw/zinc/20/21/44/561202144.db2.gz NSUXQZIGUJCQSQ-INIZCTEOSA-N 1 0 364.446 2.155 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NCCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000176073161 546401839 /nfs/dbraw/zinc/40/18/39/546401839.db2.gz UFBVAFQVCORYHL-CQSZACIVSA-N 1 0 364.446 2.374 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000176271372 546426240 /nfs/dbraw/zinc/42/62/40/546426240.db2.gz CTHJDLDOVBYUGC-UHFFFAOYSA-N 1 0 361.358 2.243 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176371846 546436492 /nfs/dbraw/zinc/43/64/92/546436492.db2.gz MXZPAIUQSUOVCG-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO C[N@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177061896 546535966 /nfs/dbraw/zinc/53/59/66/546535966.db2.gz FBZKSIANKFGUDL-UHFFFAOYSA-N 1 0 360.389 2.394 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@@H+]1C1CC1 ZINC000177094485 546543855 /nfs/dbraw/zinc/54/38/55/546543855.db2.gz NIALHKMTZBCBHD-OCCSQVGLSA-N 1 0 355.398 2.136 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@@H+]1C1CC1 ZINC000177142636 546553197 /nfs/dbraw/zinc/55/31/97/546553197.db2.gz KTDXFAVYKSMJFE-CHWSQXEVSA-N 1 0 355.398 2.136 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000177493434 546630738 /nfs/dbraw/zinc/63/07/38/546630738.db2.gz YSIUYBDEKFJNKO-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177507016 546632198 /nfs/dbraw/zinc/63/21/98/546632198.db2.gz PHPCBHGHHJTIOY-CABCVRRESA-N 1 0 363.414 2.374 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177583431 546649315 /nfs/dbraw/zinc/64/93/15/546649315.db2.gz IDCRCLSBQAOZCU-GJZGRUSLSA-N 1 0 371.441 2.064 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000481033833 561223473 /nfs/dbraw/zinc/22/34/73/561223473.db2.gz KHUZJJAIELHCAM-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481779665 561241923 /nfs/dbraw/zinc/24/19/23/561241923.db2.gz MUNUEIKULFGBSS-UOIKSKOESA-N 1 0 371.441 2.215 20 5 FEBDRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338953 546934319 /nfs/dbraw/zinc/93/43/19/546934319.db2.gz HYTRFVQVAJKOLQ-INIZCTEOSA-N 1 0 351.403 2.051 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000179762989 547009943 /nfs/dbraw/zinc/00/99/43/547009943.db2.gz HDPIWXNYCBPOHT-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180032085 547041710 /nfs/dbraw/zinc/04/17/10/547041710.db2.gz CBLIWEDRLNMEKY-INIZCTEOSA-N 1 0 369.487 2.273 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483215239 561270740 /nfs/dbraw/zinc/27/07/40/561270740.db2.gz PQVPIZFIHVIKSZ-UHFFFAOYSA-N 1 0 358.398 2.199 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000181404546 547308817 /nfs/dbraw/zinc/30/88/17/547308817.db2.gz QPTVGADVVYFRRM-OCCSQVGLSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181469970 547320141 /nfs/dbraw/zinc/32/01/41/547320141.db2.gz IDGZSEGMPHMARF-ZDUSSCGKSA-N 1 0 358.398 2.500 20 5 FEBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656298 547354834 /nfs/dbraw/zinc/35/48/34/547354834.db2.gz LRABHPPYRNJZLC-XJKSGUPXSA-N 1 0 354.357 2.417 20 5 FEBDRO CC(C)[NH+](CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C(C)C ZINC000181705430 547365132 /nfs/dbraw/zinc/36/51/32/547365132.db2.gz XVSGPPWKWAAYQG-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CCOc1ccccc1 ZINC000181988249 547417896 /nfs/dbraw/zinc/41/78/96/547417896.db2.gz KXCHWQIPGQISTB-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183111107 547603062 /nfs/dbraw/zinc/60/30/62/547603062.db2.gz CXOMLLBMSBOOPH-UHFFFAOYSA-N 1 0 358.398 2.202 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000183293424 547633611 /nfs/dbraw/zinc/63/36/11/547633611.db2.gz UNXWPJLPYZPUAI-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186302247 548114790 /nfs/dbraw/zinc/11/47/90/548114790.db2.gz BDOXGOMNXJCNOC-QGZVFWFLSA-N 1 0 371.441 2.223 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186848719 548205544 /nfs/dbraw/zinc/20/55/44/548205544.db2.gz OEDUXJSKQSFTQW-NOZJJQNGSA-N 1 0 356.220 2.014 20 5 FEBDRO CC(C)(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000187023266 548243487 /nfs/dbraw/zinc/24/34/87/548243487.db2.gz DZAYNEPTUBNBMM-UHFFFAOYSA-N 1 0 370.409 2.262 20 5 FEBDRO C[C@H](O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000226485239 548748432 /nfs/dbraw/zinc/74/84/32/548748432.db2.gz LFOZKYDUEQWZHS-WMLDXEAASA-N 1 0 352.431 2.350 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000487645078 561373178 /nfs/dbraw/zinc/37/31/78/561373178.db2.gz AWKKRTCWQZHRTB-LBPRGKRZSA-N 1 0 371.384 2.033 20 5 FEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237396713 548823257 /nfs/dbraw/zinc/82/32/57/548823257.db2.gz CYVQGIPYFDVQFQ-MWLCHTKSSA-N 1 0 356.220 2.238 20 5 FEBDRO O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000238083556 548877177 /nfs/dbraw/zinc/87/71/77/548877177.db2.gz HEPAZLSGWIMOIE-UHFFFAOYSA-N 1 0 370.409 2.022 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@H]21 ZINC000245808260 548997916 /nfs/dbraw/zinc/99/79/16/548997916.db2.gz QHOLFAHWTXMJHR-GDBMZVCRSA-N 1 0 369.425 2.337 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000245868643 549006330 /nfs/dbraw/zinc/00/63/30/549006330.db2.gz LSWPRIKQNFOSHX-LSDHHAIUSA-N 1 0 361.423 2.022 20 5 FEBDRO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000246212708 549079567 /nfs/dbraw/zinc/07/95/67/549079567.db2.gz CORHVHJEAADZCN-ZWKOTPCHSA-N 1 0 355.394 2.191 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246394830 549123437 /nfs/dbraw/zinc/12/34/37/549123437.db2.gz DWMDVDRXJIJNSH-DZGCQCFKSA-N 1 0 364.446 2.044 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246468221 549139958 /nfs/dbraw/zinc/13/99/58/549139958.db2.gz GPNWVMOLHSESLC-WMLDXEAASA-N 1 0 371.441 2.269 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000246992936 549258818 /nfs/dbraw/zinc/25/88/18/549258818.db2.gz KHYTWMHOSQBGKA-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000247129112 549289055 /nfs/dbraw/zinc/28/90/55/549289055.db2.gz NLLQNAVSYUPBRH-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO COc1cc(C[NH+]2CCC(c3ccnn3CCO)CC2)ccc1[N+](=O)[O-] ZINC000489101912 561403377 /nfs/dbraw/zinc/40/33/77/561403377.db2.gz SETIXYIRPZQZNB-UHFFFAOYSA-N 1 0 360.414 2.172 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000248564745 549458731 /nfs/dbraw/zinc/45/87/31/549458731.db2.gz IFXKUSFJFXEFID-ZFWWWQNUSA-N 1 0 350.419 2.212 20 5 FEBDRO CC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000248625369 549470607 /nfs/dbraw/zinc/47/06/07/549470607.db2.gz NXZMEARWNJLAIK-KEYYUXOJSA-N 1 0 364.446 2.142 20 5 FEBDRO C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(N)=O)C1 ZINC000249593941 549608793 /nfs/dbraw/zinc/60/87/93/549608793.db2.gz WFXVUPSCWRVROJ-SWLSCSKDSA-N 1 0 358.398 2.378 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000489802843 561419298 /nfs/dbraw/zinc/41/92/98/561419298.db2.gz SULCTPKTJOKQJZ-ZDUSSCGKSA-N 1 0 361.398 2.127 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000261551210 549731075 /nfs/dbraw/zinc/73/10/75/549731075.db2.gz TYDAZJUQDDJAHA-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000261703757 549745259 /nfs/dbraw/zinc/74/52/59/549745259.db2.gz PCYXDCFJYMJMFY-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CN(C(=O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000261718251 549746903 /nfs/dbraw/zinc/74/69/03/549746903.db2.gz KYKRQOIHEWJWRZ-SFHVURJKSA-N 1 0 372.400 2.343 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2CN1 ZINC000262126374 549791241 /nfs/dbraw/zinc/79/12/41/549791241.db2.gz CMIYOSJIBQPFGW-CYBMUJFWSA-N 1 0 361.423 2.423 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262314840 549810019 /nfs/dbraw/zinc/81/00/19/549810019.db2.gz POUDRBUJTGWUBT-HNNXBMFYSA-N 1 0 361.423 2.069 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000490653839 561436775 /nfs/dbraw/zinc/43/67/75/561436775.db2.gz YQGOHNXAXZSJKG-AWEZNQCLSA-N 1 0 372.429 2.027 20 5 FEBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000263876911 549949772 /nfs/dbraw/zinc/94/97/72/549949772.db2.gz LTUPMVBWQZPDTN-UHFFFAOYSA-N 1 0 356.430 2.315 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000268467069 550071765 /nfs/dbraw/zinc/07/17/65/550071765.db2.gz BCSXLJNMLBGXFS-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(C3(C)OCCO3)CC2)c([N+](=O)[O-])c1 ZINC000268495544 550076282 /nfs/dbraw/zinc/07/62/82/550076282.db2.gz SPJNVWNWVQTGEE-UHFFFAOYSA-N 1 0 366.414 2.457 20 5 FEBDRO C[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000268823886 550120137 /nfs/dbraw/zinc/12/01/37/550120137.db2.gz QFEZEFVJJIODRD-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO O=C(CN1CCS[C@@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999048 550142449 /nfs/dbraw/zinc/14/24/49/550142449.db2.gz YTAPDMLHABYWHU-TZMCWYRMSA-N 1 0 371.846 2.393 20 5 FEBDRO Cc1c(CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000269618596 550211471 /nfs/dbraw/zinc/21/14/71/550211471.db2.gz DIBQBTMUXWMQBX-ZDUSSCGKSA-N 1 0 367.413 2.052 20 5 FEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000269703861 550218666 /nfs/dbraw/zinc/21/86/66/550218666.db2.gz MOPTYGZFIHBAGB-CQSZACIVSA-N 1 0 372.425 2.002 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270179639 550254589 /nfs/dbraw/zinc/25/45/89/550254589.db2.gz FMTUZTDYMRBDRO-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CC(C)N1CC[NH+](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000270914452 550320178 /nfs/dbraw/zinc/32/01/78/550320178.db2.gz OKAVFWHLRNWCGZ-UHFFFAOYSA-N 1 0 374.485 2.154 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000270971987 550327024 /nfs/dbraw/zinc/32/70/24/550327024.db2.gz TYSJOEPXKUFQSZ-CQSZACIVSA-N 1 0 357.414 2.065 20 5 FEBDRO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000271435662 550375371 /nfs/dbraw/zinc/37/53/71/550375371.db2.gz SJQSVTGYTGGKOG-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271608737 550389238 /nfs/dbraw/zinc/38/92/38/550389238.db2.gz ANHXIPNTTIPYNV-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000272067860 550420306 /nfs/dbraw/zinc/42/03/06/550420306.db2.gz BSMIBSUUHPSZAQ-LLVKDONJSA-N 1 0 361.427 2.157 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337488 550438887 /nfs/dbraw/zinc/43/88/87/550438887.db2.gz XVKJEWCTNRJFAN-BBRMVZONSA-N 1 0 371.441 2.277 20 5 FEBDRO COc1ccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000272854014 550473497 /nfs/dbraw/zinc/47/34/97/550473497.db2.gz WASXKTJJZJBUOK-GOSISDBHSA-N 1 0 371.393 2.443 20 5 FEBDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000494515526 561471123 /nfs/dbraw/zinc/47/11/23/561471123.db2.gz YOHNZBXDJGRZCT-GFCCVEGCSA-N 1 0 358.398 2.109 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273647525 550506788 /nfs/dbraw/zinc/50/67/88/550506788.db2.gz VVTLKQRWTUYFCS-KZNAEPCWSA-N 1 0 366.414 2.428 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000274463532 550538893 /nfs/dbraw/zinc/53/88/93/550538893.db2.gz KGPRSMSETCZYRT-GFCCVEGCSA-N 1 0 358.398 2.451 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274510357 550541233 /nfs/dbraw/zinc/54/12/33/550541233.db2.gz XJVDWTGKRXUZBY-HNNXBMFYSA-N 1 0 362.474 2.015 20 5 FEBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468254 550674281 /nfs/dbraw/zinc/67/42/81/550674281.db2.gz PJMXNUHHFOTNPD-LSDHHAIUSA-N 1 0 364.446 2.456 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277480303 550675923 /nfs/dbraw/zinc/67/59/23/550675923.db2.gz KOHZJTLYEPDWFG-OAHLLOKOSA-N 1 0 374.441 2.283 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000278388151 550779977 /nfs/dbraw/zinc/77/99/77/550779977.db2.gz CQXKJOVJPOYZCS-AWEZNQCLSA-N 1 0 374.441 2.236 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000278454339 550787914 /nfs/dbraw/zinc/78/79/14/550787914.db2.gz XKTVRGZCIGEIBB-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO CNC(=O)c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000278483429 550791078 /nfs/dbraw/zinc/79/10/78/550791078.db2.gz FWVSZDDWINSAKB-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000278601961 550803325 /nfs/dbraw/zinc/80/33/25/550803325.db2.gz FRIGIIOAMKTWQE-WBMJQRKESA-N 1 0 374.445 2.343 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCC1CC[NH+](C2CC2)CC1 ZINC000278802047 550823401 /nfs/dbraw/zinc/82/34/01/550823401.db2.gz XVFNGVQFUXEZMT-UHFFFAOYSA-N 1 0 372.429 2.145 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000279247169 550869554 /nfs/dbraw/zinc/86/95/54/550869554.db2.gz KTYOBQASDKBYCZ-SPUZQDLCSA-N 1 0 362.426 2.272 20 5 FEBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CCO)CCOCC1 ZINC000495465303 561488585 /nfs/dbraw/zinc/48/85/85/561488585.db2.gz MAYLJWLCGQVOBV-UHFFFAOYSA-N 1 0 362.386 2.008 20 5 FEBDRO Cn1ccnc1[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1C ZINC000280518361 551002750 /nfs/dbraw/zinc/00/27/50/551002750.db2.gz QNNSWSNGYULLDA-LBPRGKRZSA-N 1 0 370.335 2.235 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000281156241 551069167 /nfs/dbraw/zinc/06/91/67/551069167.db2.gz LAAFJTAUAIFJTM-STQMWFEESA-N 1 0 366.418 2.078 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000281883040 551152764 /nfs/dbraw/zinc/15/27/64/551152764.db2.gz AJXHIZNEIKCGMW-WMLDXEAASA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000497539829 561503482 /nfs/dbraw/zinc/50/34/82/561503482.db2.gz FKXJLKYRZZOJKA-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000283306773 551345283 /nfs/dbraw/zinc/34/52/83/551345283.db2.gz YTOSKRXCFCNDIZ-WDEREUQCSA-N 1 0 355.366 2.240 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000498134134 561516762 /nfs/dbraw/zinc/51/67/62/561516762.db2.gz FTRFCHRUGDXVCR-UHFFFAOYSA-N 1 0 372.425 2.326 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498224671 561519433 /nfs/dbraw/zinc/51/94/33/561519433.db2.gz AKIYHOQILVEEDQ-QWHCGFSZSA-N 1 0 350.419 2.228 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000498321321 561522039 /nfs/dbraw/zinc/52/20/39/561522039.db2.gz FBJIUPGTVWZUFX-UHFFFAOYSA-N 1 0 367.471 2.256 20 5 FEBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)cc1[N+](=O)[O-] ZINC000284630967 551594502 /nfs/dbraw/zinc/59/45/02/551594502.db2.gz TZSDPUMVKUDGTK-RDTXWAMCSA-N 1 0 357.414 2.088 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000498466285 561524947 /nfs/dbraw/zinc/52/49/47/561524947.db2.gz UQLGEMDCIYREJL-UHFFFAOYSA-N 1 0 363.805 2.019 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000284745910 551622619 /nfs/dbraw/zinc/62/26/19/551622619.db2.gz XCSQQDLFCHZESG-UHFFFAOYSA-N 1 0 371.441 2.009 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000498514806 561526464 /nfs/dbraw/zinc/52/64/64/561526464.db2.gz QHUXSRJCQIBGFX-CYBMUJFWSA-N 1 0 360.414 2.097 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+][C@@H](c2nncn2C)C(C)C)cccc1[N+](=O)[O-] ZINC000285290104 551732712 /nfs/dbraw/zinc/73/27/12/551732712.db2.gz GGVHOMWGCKEFBA-MRXNPFEDSA-N 1 0 360.418 2.347 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000285759667 551806504 /nfs/dbraw/zinc/80/65/04/551806504.db2.gz ZJFPMLLLHKZVLM-KGLIPLIRSA-N 1 0 362.430 2.101 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285910177 551826184 /nfs/dbraw/zinc/82/61/84/551826184.db2.gz YZTFSBXIBMIRRJ-AWEZNQCLSA-N 1 0 373.413 2.150 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917172 551826960 /nfs/dbraw/zinc/82/69/60/551826960.db2.gz SSKZBQYEZHRBHD-OLZOCXBDSA-N 1 0 351.378 2.198 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286174674 551857482 /nfs/dbraw/zinc/85/74/82/551857482.db2.gz ACKKJJCZHOZNRB-QWHCGFSZSA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286174680 551857581 /nfs/dbraw/zinc/85/75/81/551857581.db2.gz ACKKJJCZHOZNRB-STQMWFEESA-N 1 0 353.444 2.061 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000286244257 551865291 /nfs/dbraw/zinc/86/52/91/551865291.db2.gz DLTATRLHPWDFGJ-UHFFFAOYSA-N 1 0 351.447 2.467 20 5 FEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286398713 551883249 /nfs/dbraw/zinc/88/32/49/551883249.db2.gz HGUNLIYIFSLEPQ-WRHMKCCWSA-N 1 0 363.389 2.418 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286565353 551900583 /nfs/dbraw/zinc/90/05/83/551900583.db2.gz DOKICWRGPWQRDP-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286815793 551928958 /nfs/dbraw/zinc/92/89/58/551928958.db2.gz USESZRMTCULLDL-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000288012882 552074818 /nfs/dbraw/zinc/07/48/18/552074818.db2.gz CAQSPDWFGJTWQI-CQSZACIVSA-N 1 0 361.402 2.138 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288231725 552115419 /nfs/dbraw/zinc/11/54/19/552115419.db2.gz AQPQHZJLLYIIPA-GXTWGEPZSA-N 1 0 372.429 2.239 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360204 552140352 /nfs/dbraw/zinc/14/03/52/552140352.db2.gz KORMROJYSOSPLV-ZYHUDNBSSA-N 1 0 361.427 2.298 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500090086 561565681 /nfs/dbraw/zinc/56/56/81/561565681.db2.gz OKBDPWHYTTXAPP-HNNXBMFYSA-N 1 0 374.441 2.258 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2(CO)CCC2)c1 ZINC000289429400 552320458 /nfs/dbraw/zinc/32/04/58/552320458.db2.gz DNVKFXJZQCRMSO-UHFFFAOYSA-N 1 0 362.167 2.204 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000289677954 552360516 /nfs/dbraw/zinc/36/05/16/552360516.db2.gz WWNBNONODYEPSO-HNNXBMFYSA-N 1 0 351.403 2.073 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCn2cc(CO)nn2)o1 ZINC000289985923 552410008 /nfs/dbraw/zinc/41/00/08/552410008.db2.gz XEUURBMYNQBNDH-UHFFFAOYSA-N 1 0 357.370 2.119 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290007869 552413124 /nfs/dbraw/zinc/41/31/24/552413124.db2.gz SDKZOIWAAFRBPG-FQEVSTJZSA-N 1 0 372.469 2.413 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000290328634 552461129 /nfs/dbraw/zinc/46/11/29/552461129.db2.gz CJNATZRIRJMOPO-QGZVFWFLSA-N 1 0 363.393 2.300 20 5 FEBDRO NC(=O)c1ccnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000290444648 552480001 /nfs/dbraw/zinc/48/00/01/552480001.db2.gz CLGFMGXHHJLLLG-CYBMUJFWSA-N 1 0 359.386 2.321 20 5 FEBDRO NC(=O)c1ccnc(Nc2cccc(C[NH+]3CCSCC3)c2)c1[N+](=O)[O-] ZINC000290610892 552506326 /nfs/dbraw/zinc/50/63/26/552506326.db2.gz KIMGFDMHLYXQHS-UHFFFAOYSA-N 1 0 373.438 2.381 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000290646911 552512186 /nfs/dbraw/zinc/51/21/86/552512186.db2.gz BLCHZLGJUJKJDN-AWEZNQCLSA-N 1 0 374.441 2.040 20 5 FEBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290914110 552560818 /nfs/dbraw/zinc/56/08/18/552560818.db2.gz HHHOZPVECFCWIY-DZGCQCFKSA-N 1 0 369.425 2.411 20 5 FEBDRO O=C(CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCOCC1 ZINC000290970212 552570418 /nfs/dbraw/zinc/57/04/18/552570418.db2.gz XIYKTYZRXHQPCU-UHFFFAOYSA-N 1 0 362.213 2.240 20 5 FEBDRO COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCOCC1 ZINC000291756729 552658555 /nfs/dbraw/zinc/65/85/55/552658555.db2.gz QXJBUXISKZALTJ-UHFFFAOYSA-N 1 0 354.403 2.145 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291911096 552673952 /nfs/dbraw/zinc/67/39/52/552673952.db2.gz QQMIYHLMSLOEAK-DZGCQCFKSA-N 1 0 357.414 2.030 20 5 FEBDRO CC(C)([NH2+]CCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1[N+](=O)[O-] ZINC000292091552 552693008 /nfs/dbraw/zinc/69/30/08/552693008.db2.gz GTLJASWKSPZISU-UHFFFAOYSA-N 1 0 360.414 2.284 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292140705 552697865 /nfs/dbraw/zinc/69/78/65/552697865.db2.gz YZPCOIZCCNWKPP-HNNXBMFYSA-N 1 0 373.862 2.273 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293552427 552834801 /nfs/dbraw/zinc/83/48/01/552834801.db2.gz WSXAHFRWHRESQZ-CABZTGNLSA-N 1 0 354.204 2.181 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000293590596 552838403 /nfs/dbraw/zinc/83/84/03/552838403.db2.gz ZCYNIQBLTDFJLL-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000295033701 552952823 /nfs/dbraw/zinc/95/28/23/552952823.db2.gz DLCTUBIIHHMUQY-HNNXBMFYSA-N 1 0 364.373 2.444 20 5 FEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039553 561610452 /nfs/dbraw/zinc/61/04/52/561610452.db2.gz CIRRJFNNWQVEKY-ZIAGYGMSSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)CCSC1 ZINC000295419644 553003945 /nfs/dbraw/zinc/00/39/45/553003945.db2.gz VWFISALJYDDDDB-KRWDZBQOSA-N 1 0 365.455 2.111 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000295543576 553023615 /nfs/dbraw/zinc/02/36/15/553023615.db2.gz IHNMMHGGQVKRIQ-KRWDZBQOSA-N 1 0 351.378 2.300 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000295635532 553036876 /nfs/dbraw/zinc/03/68/76/553036876.db2.gz ZQVXBJHKMQQSNT-GOSISDBHSA-N 1 0 355.398 2.153 20 5 FEBDRO COCCC[NH+]1CCC(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000295636890 553037647 /nfs/dbraw/zinc/03/76/47/553037647.db2.gz XXNQYTKUMYUDNC-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502261522 561615289 /nfs/dbraw/zinc/61/52/89/561615289.db2.gz YTIXEKXMOMBIFH-WQVCFCJDSA-N 1 0 353.444 2.041 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296326649 553141779 /nfs/dbraw/zinc/14/17/79/553141779.db2.gz QMTZAHXVRBYLID-CSMYWGQOSA-N 1 0 363.414 2.335 20 5 FEBDRO NC(=O)c1cccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000296582993 553183074 /nfs/dbraw/zinc/18/30/74/553183074.db2.gz DYUVCVIYBHYJGG-GOSISDBHSA-N 1 0 355.394 2.392 20 5 FEBDRO Cc1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cn2ccnc12 ZINC000502815650 561626294 /nfs/dbraw/zinc/62/62/94/561626294.db2.gz PLFBUFNSNWIQIG-UHFFFAOYSA-N 1 0 363.337 2.384 20 5 FEBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+](C2CC2)C1 ZINC000296866359 553222310 /nfs/dbraw/zinc/22/23/10/553222310.db2.gz ZHFKLSGBPSRGAP-CYBMUJFWSA-N 1 0 364.421 2.479 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297768577 553336411 /nfs/dbraw/zinc/33/64/11/553336411.db2.gz FXLCPIVELMKCNT-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000297851846 553347439 /nfs/dbraw/zinc/34/74/39/553347439.db2.gz SCVNGTVYHFIXQI-UHFFFAOYSA-N 1 0 369.328 2.207 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000503424075 561641069 /nfs/dbraw/zinc/64/10/69/561641069.db2.gz FJIBUMIEGSSMCU-LSDHHAIUSA-N 1 0 369.487 2.320 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000298500753 553432794 /nfs/dbraw/zinc/43/27/94/553432794.db2.gz NSDWNZOHWQGDKJ-KGLIPLIRSA-N 1 0 363.414 2.359 20 5 FEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298507014 553433879 /nfs/dbraw/zinc/43/38/79/553433879.db2.gz KLQARWFTZHPCJB-KRWDZBQOSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000298828544 553478185 /nfs/dbraw/zinc/47/81/85/553478185.db2.gz GUIRTWUZKAUHHO-GJZGRUSLSA-N 1 0 374.441 2.235 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000299012020 553503223 /nfs/dbraw/zinc/50/32/23/553503223.db2.gz KXZUEVGOQGLLII-ZZXKWVIFSA-N 1 0 359.426 2.179 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000299195579 553528832 /nfs/dbraw/zinc/52/88/32/553528832.db2.gz DPHPTJYMBDUYBP-GFCCVEGCSA-N 1 0 374.441 2.093 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000299234316 553534437 /nfs/dbraw/zinc/53/44/37/553534437.db2.gz JPHYNYDOIZRTIN-DOMZBBRYSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000299412985 553559743 /nfs/dbraw/zinc/55/97/43/553559743.db2.gz PIILBYPPWFJUJV-CQSZACIVSA-N 1 0 371.441 2.053 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000299472275 553568054 /nfs/dbraw/zinc/56/80/54/553568054.db2.gz BWHMRIARLSODTE-AWEZNQCLSA-N 1 0 363.418 2.282 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000299474621 553568758 /nfs/dbraw/zinc/56/87/58/553568758.db2.gz YWFALQZRCJVOAD-CQSZACIVSA-N 1 0 363.370 2.238 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000299623441 553590783 /nfs/dbraw/zinc/59/07/83/553590783.db2.gz JOWAGTYKRSLKQG-JTQLQIEISA-N 1 0 362.411 2.435 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504574516 561659912 /nfs/dbraw/zinc/65/99/12/561659912.db2.gz FIEKEFNSNYVHAZ-KBMXLJTQSA-N 1 0 369.487 2.223 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301160591 553626797 /nfs/dbraw/zinc/62/67/97/553626797.db2.gz BMLLNVRMHHNLGO-UHFFFAOYSA-N 1 0 357.414 2.090 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000504674025 561661024 /nfs/dbraw/zinc/66/10/24/561661024.db2.gz UHRKMKDWGMJQPF-SFHVURJKSA-N 1 0 371.437 2.151 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3nccc(C)c3[N+](=O)[O-])cn2)CC1 ZINC000301287501 553638992 /nfs/dbraw/zinc/63/89/92/553638992.db2.gz MGWRADHGHQFHEG-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO C[NH+]1CCN(c2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)ccn2)CC1 ZINC000505003338 561665240 /nfs/dbraw/zinc/66/52/40/561665240.db2.gz SICKPSDQJYDTLG-UHFFFAOYSA-N 1 0 366.381 2.459 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009816 553697984 /nfs/dbraw/zinc/69/79/84/553697984.db2.gz VVGPJABDWCNNHL-DZGCQCFKSA-N 1 0 367.413 2.355 20 5 FEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000302504855 553719244 /nfs/dbraw/zinc/71/92/44/553719244.db2.gz QCLQWSMVEAZZBB-NSHDSACASA-N 1 0 359.373 2.478 20 5 FEBDRO COC(=O)c1cnc(Nc2cnn(CC[NH+]3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000302668650 553724494 /nfs/dbraw/zinc/72/44/94/553724494.db2.gz CWANROAFSKPHJJ-UHFFFAOYSA-N 1 0 374.401 2.202 20 5 FEBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000505485833 561671872 /nfs/dbraw/zinc/67/18/72/561671872.db2.gz FTJITOAKVZXSBG-OAHLLOKOSA-N 1 0 360.414 2.362 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976188 553763216 /nfs/dbraw/zinc/76/32/16/553763216.db2.gz FLYZUXAHQTVOSJ-NXEZZACHSA-N 1 0 369.219 2.061 20 5 FEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000327258177 553786997 /nfs/dbraw/zinc/78/69/97/553786997.db2.gz BAFJDAZLADZFEP-AWEZNQCLSA-N 1 0 361.423 2.377 20 5 FEBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCCCC1 ZINC000507157831 561719635 /nfs/dbraw/zinc/71/96/35/561719635.db2.gz XOIATGBQDPWZAN-OAHLLOKOSA-N 1 0 373.413 2.284 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594339 561734701 /nfs/dbraw/zinc/73/47/01/561734701.db2.gz ABRPZGYPHLPKAD-JSGCOSHPSA-N 1 0 356.382 2.261 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330492928 554129091 /nfs/dbraw/zinc/12/90/91/554129091.db2.gz RTVNIKKSORNHTF-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330750462 554166625 /nfs/dbraw/zinc/16/66/25/554166625.db2.gz ATTHZPWQHNQGER-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331177195 554226304 /nfs/dbraw/zinc/22/63/04/554226304.db2.gz KEUMPOSVASZSPY-VBNZEHGJSA-N 1 0 355.460 2.414 20 5 FEBDRO CN(C)[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539942 554282502 /nfs/dbraw/zinc/28/25/02/554282502.db2.gz FQACLKCWBBPESV-DZKIICNBSA-N 1 0 353.492 2.302 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028473 554366095 /nfs/dbraw/zinc/36/60/95/554366095.db2.gz JGJVTEGGZKFQJL-ZBFHGGJFSA-N 1 0 360.458 2.289 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000332331018 554426892 /nfs/dbraw/zinc/42/68/92/554426892.db2.gz QGXNCUIQYHCZHJ-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332472573 554452467 /nfs/dbraw/zinc/45/24/67/554452467.db2.gz KLDDFOQOLJVKQF-ZIAGYGMSSA-N 1 0 362.430 2.101 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000510979323 561852950 /nfs/dbraw/zinc/85/29/50/561852950.db2.gz CDXOZKFXVILGEH-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342983 554781106 /nfs/dbraw/zinc/78/11/06/554781106.db2.gz UTBXFMXOQBBTNG-GUYCJALGSA-N 1 0 374.353 2.299 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1OC ZINC000360811048 554891020 /nfs/dbraw/zinc/89/10/20/554891020.db2.gz NMHANXIPPYEUKH-UHFFFAOYSA-N 1 0 372.381 2.295 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000361277559 554913937 /nfs/dbraw/zinc/91/39/37/554913937.db2.gz CDKJAVGMUVOCDT-WYUXJBACSA-N 1 0 359.426 2.318 20 5 FEBDRO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853154 554993401 /nfs/dbraw/zinc/99/34/01/554993401.db2.gz UBYVAHVOHCSTQF-HZPDHXFCSA-N 1 0 358.442 2.118 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)cc1[N+](=O)[O-] ZINC000363259321 555066154 /nfs/dbraw/zinc/06/61/54/555066154.db2.gz NBLBYRMDASOODF-CWRNSKLLSA-N 1 0 365.455 2.008 20 5 FEBDRO CCOc1ccccc1C1=CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363273690 555069127 /nfs/dbraw/zinc/06/91/27/555069127.db2.gz STCDHYCMJJJWSH-QGZVFWFLSA-N 1 0 372.425 2.340 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000363489221 555119204 /nfs/dbraw/zinc/11/92/04/555119204.db2.gz SRYVRLWZZRXNKO-OCCSQVGLSA-N 1 0 363.414 2.216 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363512460 555124703 /nfs/dbraw/zinc/12/47/03/555124703.db2.gz WSMZNAVEIPNAMQ-UHFFFAOYSA-N 1 0 363.462 2.464 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000363679533 555162462 /nfs/dbraw/zinc/16/24/62/555162462.db2.gz VPNKHRZRGODTEW-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000363703335 555167951 /nfs/dbraw/zinc/16/79/51/555167951.db2.gz UHRGQBRPZVVUGV-FZKQIMNGSA-N 1 0 372.381 2.420 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000363781771 555185173 /nfs/dbraw/zinc/18/51/73/555185173.db2.gz SPGULRQGSYSQIM-SJLPKXTDSA-N 1 0 357.410 2.294 20 5 FEBDRO CN(C)[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000364189931 555266227 /nfs/dbraw/zinc/26/62/27/555266227.db2.gz JUCGQPUYYRTPPY-IBGZPJMESA-N 1 0 355.394 2.451 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364213832 555271718 /nfs/dbraw/zinc/27/17/18/555271718.db2.gz QWBGVVYUDOFYHU-GJZGRUSLSA-N 1 0 359.357 2.309 20 5 FEBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451233 555316604 /nfs/dbraw/zinc/31/66/04/555316604.db2.gz XMDLDGNAIYCKNU-IEBWSBKVSA-N 1 0 353.378 2.224 20 5 FEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000512621220 561910518 /nfs/dbraw/zinc/91/05/18/561910518.db2.gz VMHXBKZGDNKPRK-XJKCOSOUSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000364855651 555416210 /nfs/dbraw/zinc/41/62/10/555416210.db2.gz IRHDFHRHWILMGQ-HNNXBMFYSA-N 1 0 364.450 2.012 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000365019250 555465777 /nfs/dbraw/zinc/46/57/77/555465777.db2.gz MXVNPVMXAUZVDH-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000365048963 555472891 /nfs/dbraw/zinc/47/28/91/555472891.db2.gz XGAFCKYUPNHYSV-CVEARBPZSA-N 1 0 350.415 2.083 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000365048967 555473212 /nfs/dbraw/zinc/47/32/12/555473212.db2.gz XGAFCKYUPNHYSV-HZPDHXFCSA-N 1 0 350.415 2.083 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000365149887 555496043 /nfs/dbraw/zinc/49/60/43/555496043.db2.gz HWIQPWLFGVHOEU-FQEVSTJZSA-N 1 0 369.421 2.263 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365283030 555531208 /nfs/dbraw/zinc/53/12/08/555531208.db2.gz VHNHKNJSUXRQID-WBVHZDCISA-N 1 0 362.430 2.275 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000365423394 555571470 /nfs/dbraw/zinc/57/14/70/555571470.db2.gz ODQBMPWHIKOMLR-NSHDSACASA-N 1 0 366.374 2.210 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000365826349 555676636 /nfs/dbraw/zinc/67/66/36/555676636.db2.gz PUOGJHXYXZOLRH-BZUAXINKSA-N 1 0 351.359 2.319 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365841382 555680669 /nfs/dbraw/zinc/68/06/69/555680669.db2.gz AXSQOJGNTGKBGP-UHFFFAOYSA-N 1 0 374.401 2.711 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678737 561946627 /nfs/dbraw/zinc/94/66/27/561946627.db2.gz RPHXZTLOATWTNR-XWIAVFTESA-N 1 0 355.442 2.490 20 5 FEBDRO C[C@@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366672665 555905320 /nfs/dbraw/zinc/90/53/20/555905320.db2.gz FBZQYCJSTZUNIV-CYBMUJFWSA-N 1 0 367.421 2.143 20 5 FEBDRO Cc1ccn(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000366766111 555928577 /nfs/dbraw/zinc/92/85/77/555928577.db2.gz XDIRKNVLEGXMCE-QGZVFWFLSA-N 1 0 360.414 2.177 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366825721 555944647 /nfs/dbraw/zinc/94/46/47/555944647.db2.gz QXRSAMJFYBEMPV-UHFFFAOYSA-N 1 0 353.444 2.091 20 5 FEBDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856333 561983480 /nfs/dbraw/zinc/98/34/80/561983480.db2.gz XVPFQXOXUQBASB-RHSMWYFYSA-N 1 0 362.430 2.428 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367713936 556121296 /nfs/dbraw/zinc/12/12/96/556121296.db2.gz XGRIAQIDICPNLG-OAHLLOKOSA-N 1 0 363.395 2.202 20 5 FEBDRO O=C(CC[NH2+][C@@H](CO)Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000515383291 562008364 /nfs/dbraw/zinc/00/83/64/562008364.db2.gz APTXSVXHHZZBRV-OAHLLOKOSA-N 1 0 361.373 2.256 20 5 FEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369062212 556493548 /nfs/dbraw/zinc/49/35/48/556493548.db2.gz GYVQRELVAVXKNE-UHFFFAOYSA-N 1 0 360.458 2.113 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000369102976 556506039 /nfs/dbraw/zinc/50/60/39/556506039.db2.gz KTDUBDLNTAUZKI-ZDUSSCGKSA-N 1 0 361.398 2.066 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000369378005 556585080 /nfs/dbraw/zinc/58/50/80/556585080.db2.gz DIRFPYUOQIKNMW-MRXNPFEDSA-N 1 0 372.429 2.378 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369669214 556664252 /nfs/dbraw/zinc/66/42/52/556664252.db2.gz YATMPIHWUYFLOA-UHFFFAOYSA-N 1 0 355.822 2.433 20 5 FEBDRO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369671692 556664971 /nfs/dbraw/zinc/66/49/71/556664971.db2.gz VKWCZIJZNIEADG-QGZVFWFLSA-N 1 0 374.441 2.485 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000370001311 556754603 /nfs/dbraw/zinc/75/46/03/556754603.db2.gz WGWKVVLHLPFCIF-KGLIPLIRSA-N 1 0 365.434 2.265 20 5 FEBDRO O=C(CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000370310109 556836316 /nfs/dbraw/zinc/83/63/16/556836316.db2.gz XREGGUUPOWYMOY-KRWDZBQOSA-N 1 0 374.441 2.400 20 5 FEBDRO Cn1ccnc1[C@H]1CCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000370358917 556850055 /nfs/dbraw/zinc/85/00/55/556850055.db2.gz RVDFDXRDMXOZDA-LLVKDONJSA-N 1 0 358.383 2.310 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)CC2 ZINC000370366864 556851594 /nfs/dbraw/zinc/85/15/94/556851594.db2.gz MPPQAKPXWCXCHI-UHFFFAOYSA-N 1 0 361.427 2.300 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1F ZINC000370409706 556864643 /nfs/dbraw/zinc/86/46/43/556864643.db2.gz IDYUQWSVZVYILD-QGZVFWFLSA-N 1 0 351.378 2.187 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689122 556940681 /nfs/dbraw/zinc/94/06/81/556940681.db2.gz KBGVKHFOBRDKAV-MSOLQXFVSA-N 1 0 374.441 2.132 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938184 562066070 /nfs/dbraw/zinc/06/60/70/562066070.db2.gz UAJIPUVXMSWAKY-AEFFLSMTSA-N 1 0 360.458 2.114 20 5 FEBDRO CO[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516950932 562066676 /nfs/dbraw/zinc/06/66/76/562066676.db2.gz BWSAZPXACRYPCL-GOSISDBHSA-N 1 0 356.426 2.370 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370840495 556986834 /nfs/dbraw/zinc/98/68/34/556986834.db2.gz VXYUXIHZPJDJOK-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO C[C@@H]1CC[C@H]([N@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998278 562070190 /nfs/dbraw/zinc/07/01/90/562070190.db2.gz SEQUFFHCVZBLCZ-KGLIPLIRSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915700 557013940 /nfs/dbraw/zinc/01/39/40/557013940.db2.gz DCFXDMZCGSLTNN-KDOFPFPSSA-N 1 0 371.441 2.450 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371228225 557113104 /nfs/dbraw/zinc/11/31/04/557113104.db2.gz GMVCZQYTEYDKIY-INIZCTEOSA-N 1 0 370.409 2.453 20 5 FEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336587 557152068 /nfs/dbraw/zinc/15/20/68/557152068.db2.gz RVHVUXYQHNIRAE-RDJZCZTQSA-N 1 0 360.414 2.295 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000371360144 557159945 /nfs/dbraw/zinc/15/99/45/557159945.db2.gz CEGRKTIARSSEEO-UHFFFAOYSA-N 1 0 351.378 2.200 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000371362073 557160703 /nfs/dbraw/zinc/16/07/03/557160703.db2.gz WWYMABLENHGXRX-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000517454882 562090641 /nfs/dbraw/zinc/09/06/41/562090641.db2.gz IYYIDZBCNZHOKH-HNNXBMFYSA-N 1 0 360.458 2.269 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000371531157 557211927 /nfs/dbraw/zinc/21/19/27/557211927.db2.gz UVCXNBAAIBCHBZ-ROUUACIJSA-N 1 0 363.458 2.285 20 5 FEBDRO C[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000371878454 557317890 /nfs/dbraw/zinc/31/78/90/557317890.db2.gz OBVXYHSKOYTUPK-ZDUSSCGKSA-N 1 0 355.398 2.340 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000372925986 557589631 /nfs/dbraw/zinc/58/96/31/557589631.db2.gz CMRPXGYYGDHIFQ-HKCMKHECSA-N 1 0 355.797 2.253 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000373154633 557639991 /nfs/dbraw/zinc/63/99/91/557639991.db2.gz SYUVYPPUMQLBGH-GFCCVEGCSA-N 1 0 361.427 2.300 20 5 FEBDRO Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n(C)n1 ZINC000373240460 557656401 /nfs/dbraw/zinc/65/64/01/557656401.db2.gz CZPPWMBVWXPSSG-CQSZACIVSA-N 1 0 374.401 2.304 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000373289329 557666033 /nfs/dbraw/zinc/66/60/33/557666033.db2.gz QDXGEVMMCODEON-ABAIWWIYSA-N 1 0 361.427 2.288 20 5 FEBDRO CC(=O)c1ccc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000520243575 562151664 /nfs/dbraw/zinc/15/16/64/562151664.db2.gz VHZSMEAQDHUCGE-UHFFFAOYSA-N 1 0 362.430 2.152 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373439603 557694077 /nfs/dbraw/zinc/69/40/77/557694077.db2.gz AQBWRLGQTNXXFS-IYBDPMFKSA-N 1 0 352.394 2.194 20 5 FEBDRO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000520365612 562154460 /nfs/dbraw/zinc/15/44/60/562154460.db2.gz VOQAXTZIKXKXGA-INIZCTEOSA-N 1 0 369.425 2.304 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373809617 557764244 /nfs/dbraw/zinc/76/42/44/557764244.db2.gz JVCKAHRIFDJRGP-KDOFPFPSSA-N 1 0 363.414 2.193 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933682 557790165 /nfs/dbraw/zinc/79/01/65/557790165.db2.gz NFDXSMHTPWSFHT-YJBOKZPZSA-N 1 0 373.457 2.053 20 5 FEBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000374292331 557859396 /nfs/dbraw/zinc/85/93/96/557859396.db2.gz CQJCXGKPDJVOPF-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000374299729 557861590 /nfs/dbraw/zinc/86/15/90/557861590.db2.gz ZZNOSGXDEFJGAN-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000521030996 562167947 /nfs/dbraw/zinc/16/79/47/562167947.db2.gz LZMIYKGLPHEPLX-DZGCQCFKSA-N 1 0 352.456 2.457 20 5 FEBDRO Cn1ccnc1[C@H](N[C@@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717363 557920654 /nfs/dbraw/zinc/92/06/54/557920654.db2.gz MOBGDQZJPCKXPL-RHSMWYFYSA-N 1 0 352.398 2.288 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871256 557944226 /nfs/dbraw/zinc/94/42/26/557944226.db2.gz CPUKKCLBBMETKG-RDTXWAMCSA-N 1 0 360.458 2.378 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000375047466 557969432 /nfs/dbraw/zinc/96/94/32/557969432.db2.gz DIXWBSLIXUWMIN-GDBMZVCRSA-N 1 0 370.409 2.061 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000521363388 562174934 /nfs/dbraw/zinc/17/49/34/562174934.db2.gz LTLYTOLWRPSLPH-CYBMUJFWSA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393639 558019953 /nfs/dbraw/zinc/01/99/53/558019953.db2.gz RGYISRAMHFPSEP-SJLPKXTDSA-N 1 0 374.441 2.485 20 5 FEBDRO O=C(c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556451 558048108 /nfs/dbraw/zinc/04/81/08/558048108.db2.gz GWTHREZWGCYTHZ-JKSUJKDBSA-N 1 0 374.441 2.106 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000521597323 562179853 /nfs/dbraw/zinc/17/98/53/562179853.db2.gz XXMBNDGNFMHLLB-MJGOQNOKSA-N 1 0 359.426 2.227 20 5 FEBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000376216343 558142860 /nfs/dbraw/zinc/14/28/60/558142860.db2.gz ACMPCYRGAFRMCZ-NWANDNLSSA-N 1 0 360.414 2.005 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376342279 558160411 /nfs/dbraw/zinc/16/04/11/558160411.db2.gz AEWXOUJZZHWSAP-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000521689771 562182344 /nfs/dbraw/zinc/18/23/44/562182344.db2.gz HKVJDTDIYOKIOW-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000376495957 558181014 /nfs/dbraw/zinc/18/10/14/558181014.db2.gz SRGJWOXRIFIRII-UHFFFAOYSA-N 1 0 374.445 2.344 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000377086615 558263141 /nfs/dbraw/zinc/26/31/41/558263141.db2.gz NNWUONCWYHMIQD-OAHLLOKOSA-N 1 0 371.393 2.229 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1C ZINC000377283905 558306134 /nfs/dbraw/zinc/30/61/34/558306134.db2.gz WBWTVZSWABMAIM-GDBMZVCRSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000522137545 562192333 /nfs/dbraw/zinc/19/23/33/562192333.db2.gz RRNFCRGSQQSBAU-GUYCJALGSA-N 1 0 351.451 2.117 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000377532249 558358914 /nfs/dbraw/zinc/35/89/14/558358914.db2.gz SSHWXENSVJMPDG-MRXNPFEDSA-N 1 0 363.462 2.214 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000378060511 558472103 /nfs/dbraw/zinc/47/21/03/558472103.db2.gz QWKWAKCMHXCANR-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378118390 558485027 /nfs/dbraw/zinc/48/50/27/558485027.db2.gz ZVZAKQKOCIXOLT-IBGZPJMESA-N 1 0 374.485 2.154 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378501293 558570744 /nfs/dbraw/zinc/57/07/44/558570744.db2.gz ZCPMMIGKNSBHCV-HNNXBMFYSA-N 1 0 369.368 2.056 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000404372796 558631365 /nfs/dbraw/zinc/63/13/65/558631365.db2.gz SBDNUYGZKHFGQX-DGCLKSJQSA-N 1 0 351.403 2.202 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000408059538 558641833 /nfs/dbraw/zinc/64/18/33/558641833.db2.gz QKJXXEQCYMNTKH-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c([N+](=O)[O-])c1 ZINC000408068265 558643493 /nfs/dbraw/zinc/64/34/93/558643493.db2.gz SHAOJLVGUWHWKW-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000408160207 558652689 /nfs/dbraw/zinc/65/26/89/558652689.db2.gz ILIUDXJPDNQXJT-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000409720973 558716726 /nfs/dbraw/zinc/71/67/26/558716726.db2.gz JQXWGYOEIDBJFQ-ZDUSSCGKSA-N 1 0 367.471 2.139 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411132427 558842674 /nfs/dbraw/zinc/84/26/74/558842674.db2.gz JYXAQRUYBPOTKD-ZIAGYGMSSA-N 1 0 362.430 2.221 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000411267450 558864432 /nfs/dbraw/zinc/86/44/32/558864432.db2.gz DFQRCKSRKJEZAW-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279093 558867188 /nfs/dbraw/zinc/86/71/88/558867188.db2.gz PFLVKCZAYSOJFJ-OCCSQVGLSA-N 1 0 361.320 2.311 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC000525657806 562251591 /nfs/dbraw/zinc/25/15/91/562251591.db2.gz ASBBBZULYUWXPB-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO COc1ccc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686538 562252159 /nfs/dbraw/zinc/25/21/59/562252159.db2.gz RQRPRQINTCDBNI-KRWDZBQOSA-N 1 0 362.474 2.204 20 5 FEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755316 558956912 /nfs/dbraw/zinc/95/69/12/558956912.db2.gz IKGVXSZKRIZIJH-FZKQIMNGSA-N 1 0 370.409 2.171 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411898592 558984449 /nfs/dbraw/zinc/98/44/49/558984449.db2.gz ZVWVEWVTIDRORV-APWZRJJASA-N 1 0 371.393 2.444 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411929985 558990057 /nfs/dbraw/zinc/99/00/57/558990057.db2.gz YKZAEGZXWSSFSW-JZXOWHBKSA-N 1 0 358.394 2.142 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411929984 558990189 /nfs/dbraw/zinc/99/01/89/558990189.db2.gz YKZAEGZXWSSFSW-JFIYKMOQSA-N 1 0 358.394 2.142 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1F ZINC000412100888 559013832 /nfs/dbraw/zinc/01/38/32/559013832.db2.gz IUMPPUNAZIVAEZ-CYBMUJFWSA-N 1 0 365.405 2.372 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412158932 559017415 /nfs/dbraw/zinc/01/74/15/559017415.db2.gz RBUVMQNFPGLCKM-ZDUSSCGKSA-N 1 0 367.421 2.475 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC000412188774 559019017 /nfs/dbraw/zinc/01/90/17/559019017.db2.gz CAMDFCMARCMNJS-GXTWGEPZSA-N 1 0 365.405 2.228 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1C ZINC000526492555 562268210 /nfs/dbraw/zinc/26/82/10/562268210.db2.gz DPQVZKCUKFWAIF-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000413709432 559126196 /nfs/dbraw/zinc/12/61/96/559126196.db2.gz GAAYMZNRZIGBCI-LBPRGKRZSA-N 1 0 353.394 2.274 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564158 559171895 /nfs/dbraw/zinc/17/18/95/559171895.db2.gz XHVHEBNDGLNIHA-YVEFUNNKSA-N 1 0 362.382 2.039 20 5 FEBDRO CCOc1cc(NC(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000414761181 559185981 /nfs/dbraw/zinc/18/59/81/559185981.db2.gz SJVUDYUWSUWZLW-UHFFFAOYSA-N 1 0 364.402 2.433 20 5 FEBDRO CO[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000414949599 559196679 /nfs/dbraw/zinc/19/66/79/559196679.db2.gz NVHODRYLZMPZNX-GHMZBOCLSA-N 1 0 374.344 2.166 20 5 FEBDRO COCC1(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000415305732 559222507 /nfs/dbraw/zinc/22/25/07/559222507.db2.gz XHPMQEDSUVMWHQ-UHFFFAOYSA-N 1 0 350.419 2.349 20 5 FEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000415384445 559229668 /nfs/dbraw/zinc/22/96/68/559229668.db2.gz TVLRLYURRFEYDY-QGZVFWFLSA-N 1 0 370.409 2.473 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415516906 559245695 /nfs/dbraw/zinc/24/56/95/559245695.db2.gz KKQOERSOARXOCS-INIZCTEOSA-N 1 0 374.441 2.086 20 5 FEBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415591367 559253507 /nfs/dbraw/zinc/25/35/07/559253507.db2.gz AOSWFRZBEFKLDC-LBPRGKRZSA-N 1 0 352.391 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415597330 559254088 /nfs/dbraw/zinc/25/40/88/559254088.db2.gz JGNSLCDGRIWWMD-BONVTDFDSA-N 1 0 364.402 2.281 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000415668007 559260075 /nfs/dbraw/zinc/26/00/75/559260075.db2.gz YVQISBATCRNXJP-UHFFFAOYSA-N 1 0 366.418 2.131 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000415867949 559279932 /nfs/dbraw/zinc/27/99/32/559279932.db2.gz XLWPHMBBMWQTEU-INIZCTEOSA-N 1 0 374.441 2.078 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])c1 ZINC000417717876 559373908 /nfs/dbraw/zinc/37/39/08/559373908.db2.gz NIBHGBILPCFPCQ-AWEZNQCLSA-N 1 0 351.451 2.378 20 5 FEBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000418002623 559386025 /nfs/dbraw/zinc/38/60/25/559386025.db2.gz YYGFLSVYAPGWEF-WCQYABFASA-N 1 0 354.838 2.478 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000418085243 559389655 /nfs/dbraw/zinc/38/96/55/559389655.db2.gz URSSBPSFMIQJPF-OAHLLOKOSA-N 1 0 360.418 2.178 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000418088354 559389726 /nfs/dbraw/zinc/38/97/26/559389726.db2.gz KEHFZPHQFZDOFI-JTQLQIEISA-N 1 0 370.278 2.395 20 5 FEBDRO C[C@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000418090905 559389844 /nfs/dbraw/zinc/38/98/44/559389844.db2.gz OPSJSEILFLOOJH-ZANVPECISA-N 1 0 360.336 2.492 20 5 FEBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000418104155 559390140 /nfs/dbraw/zinc/39/01/40/559390140.db2.gz JWVQWTCNIJRXLP-KLPPZKSPSA-N 1 0 362.167 2.202 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419338387 559438132 /nfs/dbraw/zinc/43/81/32/559438132.db2.gz ZGADHTVWLWGWHH-GJZGRUSLSA-N 1 0 351.447 2.269 20 5 FEBDRO CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000419391750 559440540 /nfs/dbraw/zinc/44/05/40/559440540.db2.gz RCMVNEUQHQKDAM-INIZCTEOSA-N 1 0 351.447 2.141 20 5 FEBDRO C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000420651343 559495510 /nfs/dbraw/zinc/49/55/10/559495510.db2.gz JVDSKCUNJFKJRU-AWEZNQCLSA-N 1 0 354.410 2.404 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011797 559519361 /nfs/dbraw/zinc/51/93/61/559519361.db2.gz HMKJGZIIIRTVTD-ZIAGYGMSSA-N 1 0 365.430 2.415 20 5 FEBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421035889 559521296 /nfs/dbraw/zinc/52/12/96/559521296.db2.gz PNRSUBUJKKNMQM-CYBMUJFWSA-N 1 0 351.403 2.097 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421770637 559552791 /nfs/dbraw/zinc/55/27/91/559552791.db2.gz KNQYTTMKTZKMKW-UHFFFAOYSA-N 1 0 362.474 2.359 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422008855 559560384 /nfs/dbraw/zinc/56/03/84/559560384.db2.gz QBYPMFXDLNTXIP-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422555443 559594852 /nfs/dbraw/zinc/59/48/52/559594852.db2.gz PUINVRXUPWCAHS-SWHYSGLUSA-N 1 0 355.460 2.206 20 5 FEBDRO C[C@@H]1C[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000422642543 559599707 /nfs/dbraw/zinc/59/97/07/559599707.db2.gz ZNYUVUZARBPDPG-MGPQQGTHSA-N 1 0 362.430 2.198 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000422889422 559609933 /nfs/dbraw/zinc/60/99/33/559609933.db2.gz PLVWQACIQKOEKL-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032485 559615873 /nfs/dbraw/zinc/61/58/73/559615873.db2.gz FLPONQWHERNHJD-CABCVRRESA-N 1 0 369.487 2.269 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000423704727 559636539 /nfs/dbraw/zinc/63/65/39/559636539.db2.gz NDFTUJQKAVJBIS-QAPCUYQASA-N 1 0 361.442 2.488 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423980157 559648862 /nfs/dbraw/zinc/64/88/62/559648862.db2.gz SCWITONGGUYWLQ-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO [NH3+]CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000424066571 559653368 /nfs/dbraw/zinc/65/33/68/559653368.db2.gz YNMSVUDQZBGABD-UHFFFAOYSA-N 1 0 371.393 2.313 20 5 FEBDRO [NH3+]C1(c2noc(CN3C(=O)COc4ccc([N+](=O)[O-])cc43)n2)CCCCC1 ZINC000424351155 559661993 /nfs/dbraw/zinc/66/19/93/559661993.db2.gz YFNIBBINOCKEPY-UHFFFAOYSA-N 1 0 373.369 2.022 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425548548 559709206 /nfs/dbraw/zinc/70/92/06/559709206.db2.gz NBAPICSUOKJQKO-PWSUYJOCSA-N 1 0 355.358 2.313 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427582256 559758353 /nfs/dbraw/zinc/75/83/53/559758353.db2.gz FCPGXHSMXZCUPE-JOYOIKCWSA-N 1 0 361.320 2.264 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000427601099 559758551 /nfs/dbraw/zinc/75/85/51/559758551.db2.gz XGPSMALISYPHSR-UHFFFAOYSA-N 1 0 372.381 2.016 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428555759 559778164 /nfs/dbraw/zinc/77/81/64/559778164.db2.gz ZKGNKKPBRNAHBF-INIZCTEOSA-N 1 0 370.409 2.212 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428555760 559778275 /nfs/dbraw/zinc/77/82/75/559778275.db2.gz ZKGNKKPBRNAHBF-MRXNPFEDSA-N 1 0 370.409 2.212 20 5 FEBDRO COc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000431489734 559840184 /nfs/dbraw/zinc/84/01/84/559840184.db2.gz ZTIBCOYVTGDGOE-UHFFFAOYSA-N 1 0 368.409 2.147 20 5 FEBDRO C[N@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039699 559870369 /nfs/dbraw/zinc/87/03/69/559870369.db2.gz NFLKCWMRPJEYBV-RTBURBONSA-N 1 0 369.421 2.236 20 5 FEBDRO C[C@@H]1CN(CC[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000434695413 559906098 /nfs/dbraw/zinc/90/60/98/559906098.db2.gz PRGUHMGWAXNQKA-IYBDPMFKSA-N 1 0 351.447 2.405 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435559243 559925105 /nfs/dbraw/zinc/92/51/05/559925105.db2.gz IJVAJDDMPZDEDP-LBPRGKRZSA-N 1 0 361.427 2.164 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])o1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562555 559925168 /nfs/dbraw/zinc/92/51/68/559925168.db2.gz HCDKFWAYKLWYNY-LBPRGKRZSA-N 1 0 362.411 2.429 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1c2ccccc2CC[C@H]1C[NH+](C)C ZINC000436717336 559949756 /nfs/dbraw/zinc/94/97/56/559949756.db2.gz BSCJCLQWYWNFQB-INIZCTEOSA-N 1 0 371.441 2.399 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000438282053 559976578 /nfs/dbraw/zinc/97/65/78/559976578.db2.gz KHCDFGGJDDXPPD-UUWFMWQGSA-N 1 0 372.425 2.400 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438945292 559985936 /nfs/dbraw/zinc/98/59/36/559985936.db2.gz GEOMTFODBSJLHX-OAHLLOKOSA-N 1 0 355.460 2.384 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000440076840 560004426 /nfs/dbraw/zinc/00/44/26/560004426.db2.gz JEWPKWUPDOUEJZ-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000440420633 560010737 /nfs/dbraw/zinc/01/07/37/560010737.db2.gz NAMYVGFFAHCSMA-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440897494 560019356 /nfs/dbraw/zinc/01/93/56/560019356.db2.gz ROUHPWRTRFONGD-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000441277637 560027710 /nfs/dbraw/zinc/02/77/10/560027710.db2.gz NFHQUTCFCMZTPH-WPGHFRTFSA-N 1 0 351.403 2.478 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443765909 560092093 /nfs/dbraw/zinc/09/20/93/560092093.db2.gz TZYLUFWWPMNYPF-HIFRSBDPSA-N 1 0 355.460 2.229 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444620997 560116915 /nfs/dbraw/zinc/11/69/15/560116915.db2.gz ARGRVOLBHRUCEC-MRXNPFEDSA-N 1 0 372.473 2.073 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cnn1C ZINC000444687973 560118268 /nfs/dbraw/zinc/11/82/68/560118268.db2.gz XCNOZUFLRMJWEK-WMLDXEAASA-N 1 0 356.386 2.133 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC1CC[NH+](C2CC2)CC1 ZINC000444884264 560123693 /nfs/dbraw/zinc/12/36/93/560123693.db2.gz WLAGWBYIBOTBGB-UHFFFAOYSA-N 1 0 361.446 2.180 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000446901094 560153358 /nfs/dbraw/zinc/15/33/58/560153358.db2.gz ACIICBGICIAUDF-BZBRXENKSA-N 1 0 356.426 2.440 20 5 FEBDRO Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000447002137 560155063 /nfs/dbraw/zinc/15/50/63/560155063.db2.gz YSOWPSGIADVBAE-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000447078668 560156254 /nfs/dbraw/zinc/15/62/54/560156254.db2.gz UYIBHQIRYAZMST-KRRMLOMWSA-N 1 0 364.442 2.344 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CCS(=O)(=O)CC2)n1 ZINC000447574807 560164778 /nfs/dbraw/zinc/16/47/78/560164778.db2.gz ORHZELDVMASQBE-GJZGRUSLSA-N 1 0 370.475 2.080 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000448036157 560176360 /nfs/dbraw/zinc/17/63/60/560176360.db2.gz WBIVUBYQAYWDTM-MRXNPFEDSA-N 1 0 363.462 2.426 20 5 FEBDRO COC(=O)c1cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000449255080 560221782 /nfs/dbraw/zinc/22/17/82/560221782.db2.gz ZSSYAESPELIDRU-IBGZPJMESA-N 1 0 369.377 2.251 20 5 FEBDRO COCCOC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449392082 560228562 /nfs/dbraw/zinc/22/85/62/560228562.db2.gz HJKBTKDLEFAOMX-XQRVVYSFSA-N 1 0 350.415 2.410 20 5 FEBDRO COC(=O)COc1ccc(CNc2ccc3c([nH+]2)CCC3)cc1[N+](=O)[O-] ZINC000449667210 560236257 /nfs/dbraw/zinc/23/62/57/560236257.db2.gz QVCCRGLRLFPCHR-UHFFFAOYSA-N 1 0 357.366 2.642 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000449675918 560236403 /nfs/dbraw/zinc/23/64/03/560236403.db2.gz CWQXQTRHZSYZLJ-UHFFFAOYSA-N 1 0 353.444 2.176 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449698529 560237332 /nfs/dbraw/zinc/23/73/32/560237332.db2.gz NYCLKVPRBVWGJF-HNNXBMFYSA-N 1 0 367.471 2.341 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096236 560250635 /nfs/dbraw/zinc/25/06/35/560250635.db2.gz GOCDAFRVMGKSFQ-UKRRQHHQSA-N 1 0 357.414 2.239 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@]1([NH+](C)C)CCSC1 ZINC000450365280 560259979 /nfs/dbraw/zinc/25/99/79/560259979.db2.gz NNQVLXZLOZJZGD-KRWDZBQOSA-N 1 0 362.455 2.423 20 5 FEBDRO Cc1cc(N[C@H](CO)C[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450522373 560265021 /nfs/dbraw/zinc/26/50/21/560265021.db2.gz XGASVVZUESWRIG-INIZCTEOSA-N 1 0 371.441 2.041 20 5 FEBDRO CCOC(=O)[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000450574286 560266584 /nfs/dbraw/zinc/26/65/84/560266584.db2.gz ZOZBOJAGYSEBHY-HNNXBMFYSA-N 1 0 371.393 2.467 20 5 FEBDRO CCOC(=O)c1cc(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602020 560267668 /nfs/dbraw/zinc/26/76/68/560267668.db2.gz ZLZYLNRAHXWFCT-CQSZACIVSA-N 1 0 351.403 2.030 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450859557 560276030 /nfs/dbraw/zinc/27/60/30/560276030.db2.gz MZXTYVPALZVGNN-MRXNPFEDSA-N 1 0 362.474 2.348 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000451022478 560282939 /nfs/dbraw/zinc/28/29/39/560282939.db2.gz IGPZTUFKXNKMOD-UHFFFAOYSA-N 1 0 361.423 2.408 20 5 FEBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142689 560289490 /nfs/dbraw/zinc/28/94/90/560289490.db2.gz GMYBTTQMZZLXLE-NOHGZBONSA-N 1 0 350.341 2.204 20 5 FEBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451235014 560294920 /nfs/dbraw/zinc/29/49/20/560294920.db2.gz NIIAARATXBYVSK-UAGQMJEPSA-N 1 0 366.414 2.046 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475612 560309282 /nfs/dbraw/zinc/30/92/82/560309282.db2.gz CLWSAJFIXHVAFF-IAGOWNOFSA-N 1 0 359.426 2.421 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]21 ZINC000451482694 560309750 /nfs/dbraw/zinc/30/97/50/560309750.db2.gz WRESJEOOCHBSHH-OLMNPRSZSA-N 1 0 359.426 2.277 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557829 560314531 /nfs/dbraw/zinc/31/45/31/560314531.db2.gz FKEQCGNUHWEOOE-QGZVFWFLSA-N 1 0 374.485 2.375 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451589794 560316279 /nfs/dbraw/zinc/31/62/79/560316279.db2.gz WLITXVWUKAVABA-PMPSAXMXSA-N 1 0 361.398 2.022 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689356 560322150 /nfs/dbraw/zinc/32/21/50/560322150.db2.gz MBISGERQRPIADB-GOEBONIOSA-N 1 0 369.425 2.479 20 5 FEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451770286 560327600 /nfs/dbraw/zinc/32/76/00/560327600.db2.gz CSAUSFLHVJCYSV-KGLIPLIRSA-N 1 0 352.387 2.304 20 5 FEBDRO CC1(C)COC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451808809 560329899 /nfs/dbraw/zinc/32/98/99/560329899.db2.gz KMHQWZYKNSEHOG-LBPRGKRZSA-N 1 0 372.219 2.310 20 5 FEBDRO CO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845653 560332082 /nfs/dbraw/zinc/33/20/82/560332082.db2.gz ITQOLMIEAJCNRA-KBRIMQKVSA-N 1 0 350.415 2.224 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882287 560334313 /nfs/dbraw/zinc/33/43/13/560334313.db2.gz CMUPSPDAHFIIGL-YGRLFVJLSA-N 1 0 361.320 2.169 20 5 FEBDRO O=C(CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890515 560334933 /nfs/dbraw/zinc/33/49/33/560334933.db2.gz NIYZVFBKHMZVGZ-IINYFYTJSA-N 1 0 361.320 2.169 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000451898246 560335591 /nfs/dbraw/zinc/33/55/91/560335591.db2.gz VFCPEJJJDNLAOO-GFCCVEGCSA-N 1 0 361.402 2.499 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452103591 560351425 /nfs/dbraw/zinc/35/14/25/560351425.db2.gz KXDJIXUYNAQMDX-LBPRGKRZSA-N 1 0 361.851 2.351 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000455316033 560477705 /nfs/dbraw/zinc/47/77/05/560477705.db2.gz NPKFXZULXHTSAT-HNNXBMFYSA-N 1 0 373.413 2.500 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915705 560500036 /nfs/dbraw/zinc/50/00/36/560500036.db2.gz NLOGKJOBNBOGTB-HIFRSBDPSA-N 1 0 369.425 2.424 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457082887 560547493 /nfs/dbraw/zinc/54/74/93/560547493.db2.gz FNWFBZJXMFVXPL-HNNXBMFYSA-N 1 0 357.414 2.335 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000457370955 560564116 /nfs/dbraw/zinc/56/41/16/560564116.db2.gz HNJNPTFQVYVZKE-MSOLQXFVSA-N 1 0 373.384 2.456 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000458155868 560605810 /nfs/dbraw/zinc/60/58/10/560605810.db2.gz BAACTQBYASSBKE-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492092 560689416 /nfs/dbraw/zinc/68/94/16/560689416.db2.gz ZQLMLXCXVOBRJY-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459529058 560692359 /nfs/dbraw/zinc/69/23/59/560692359.db2.gz RAROSTHHKWHHFE-UHFFFAOYSA-N 1 0 369.421 2.321 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)o2)c(Cl)c1 ZINC000459674111 560701451 /nfs/dbraw/zinc/70/14/51/560701451.db2.gz BOXMPZRRRKJDKK-MEBBXXQBSA-N 1 0 352.774 2.293 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000460914896 560755525 /nfs/dbraw/zinc/75/55/25/560755525.db2.gz RNLLRBFLYCSJGI-UHFFFAOYSA-N 1 0 357.476 2.478 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460913812 560755534 /nfs/dbraw/zinc/75/55/34/560755534.db2.gz OCAMWQUBHYIQIW-UHFFFAOYSA-N 1 0 357.476 2.478 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464858492 560853538 /nfs/dbraw/zinc/85/35/38/560853538.db2.gz WWJBHZTULRILPL-XJKSGUPXSA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819984 560896456 /nfs/dbraw/zinc/89/64/56/560896456.db2.gz VGXSBAAZCQKKKE-WBMJQRKESA-N 1 0 369.425 2.454 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000467692585 560915021 /nfs/dbraw/zinc/91/50/21/560915021.db2.gz UFVKASSTOJLVEU-OCCSQVGLSA-N 1 0 356.382 2.088 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468646904 560935000 /nfs/dbraw/zinc/93/50/00/560935000.db2.gz GUXPMOSYZMVDGJ-SDNWHVSQSA-N 1 0 367.471 2.402 20 5 FEBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000469759061 560963862 /nfs/dbraw/zinc/96/38/62/560963862.db2.gz VSEIPZGVZAMGBW-GFCCVEGCSA-N 1 0 372.381 2.374 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000470151735 560975577 /nfs/dbraw/zinc/97/55/77/560975577.db2.gz JUGIKMHTZRTNNN-LBPRGKRZSA-N 1 0 354.382 2.356 20 5 FEBDRO C[C@@H](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000472695817 561033236 /nfs/dbraw/zinc/03/32/36/561033236.db2.gz ZXZBXLMEJQHFHA-LBPRGKRZSA-N 1 0 366.393 2.053 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000474006549 561063486 /nfs/dbraw/zinc/06/34/86/561063486.db2.gz FNLNAONPDKIMBB-RHSMWYFYSA-N 1 0 366.414 2.440 20 5 FEBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000474367982 561072363 /nfs/dbraw/zinc/07/23/63/561072363.db2.gz IHIGYDIZEOCGMM-OAHLLOKOSA-N 1 0 366.414 2.441 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370620 561072464 /nfs/dbraw/zinc/07/24/64/561072464.db2.gz LAAANFOSCCYNAR-CABCVRRESA-N 1 0 352.387 2.050 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000474442088 561074257 /nfs/dbraw/zinc/07/42/57/561074257.db2.gz UEVMRFTYPNQGMD-UHFFFAOYSA-N 1 0 361.446 2.266 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000474572054 561077121 /nfs/dbraw/zinc/07/71/21/561077121.db2.gz DZDRGXQJNVJYQX-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000474936447 561085807 /nfs/dbraw/zinc/08/58/07/561085807.db2.gz WDTWWELPTWUNMV-LBPRGKRZSA-N 1 0 358.485 2.490 20 5 FEBDRO COc1c(C(=O)NCc2ccccc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000475387004 561095938 /nfs/dbraw/zinc/09/59/38/561095938.db2.gz KZNBVBAWBFJSBD-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000475432520 561097033 /nfs/dbraw/zinc/09/70/33/561097033.db2.gz RXGPUEKQZKTPCK-DZGCQCFKSA-N 1 0 362.430 2.160 20 5 FEBDRO COC(=O)C[C@@H]1CSCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000475902852 561107520 /nfs/dbraw/zinc/10/75/20/561107520.db2.gz WZAIVXHFTJXQGX-CQSZACIVSA-N 1 0 354.428 2.344 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000476351538 561117370 /nfs/dbraw/zinc/11/73/70/561117370.db2.gz DEUFXCJBDQXXMW-LBPRGKRZSA-N 1 0 363.443 2.032 20 5 FEBDRO COc1ccc(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000531304032 562441484 /nfs/dbraw/zinc/44/14/84/562441484.db2.gz IVQRJZPJRJYKKE-INIZCTEOSA-N 1 0 361.442 2.336 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000532581369 562482142 /nfs/dbraw/zinc/48/21/42/562482142.db2.gz WJMLSJAGKYKSCT-CQSZACIVSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000533023665 562495882 /nfs/dbraw/zinc/49/58/82/562495882.db2.gz RJAMUNMPLPDHQM-UHFFFAOYSA-N 1 0 365.430 2.094 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533304683 562504486 /nfs/dbraw/zinc/50/44/86/562504486.db2.gz JDUIKYMBRHTIKW-HNNXBMFYSA-N 1 0 374.441 2.258 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534245880 562528365 /nfs/dbraw/zinc/52/83/65/562528365.db2.gz BWRYVWLTOWRSPN-UHFFFAOYSA-N 1 0 360.414 2.259 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000536826567 562581223 /nfs/dbraw/zinc/58/12/23/562581223.db2.gz LXHGDNQTTSHYGI-ZDUSSCGKSA-N 1 0 355.460 2.225 20 5 FEBDRO CC(=O)N1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000537213274 562587978 /nfs/dbraw/zinc/58/79/78/562587978.db2.gz HGVUZADIFLFDSL-UHFFFAOYSA-N 1 0 357.414 2.096 20 5 FEBDRO C[NH+](C)CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccn1 ZINC000545779489 562630156 /nfs/dbraw/zinc/63/01/56/562630156.db2.gz DZSMQZVJJHEPKM-UHFFFAOYSA-N 1 0 356.342 2.042 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000602872614 568009406 /nfs/dbraw/zinc/00/94/06/568009406.db2.gz CPJOLZQYSLNVEK-INIZCTEOSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603383873 568094306 /nfs/dbraw/zinc/09/43/06/568094306.db2.gz PEWSTEZICNCSTR-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000568769060 568196230 /nfs/dbraw/zinc/19/62/30/568196230.db2.gz AZYVCXKKHWPIIJ-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO O=C(CC[NH2+]Cc1cccc(N2CCC2=O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000568977375 568257100 /nfs/dbraw/zinc/25/71/00/568257100.db2.gz WDUIYVRCKIRZOV-UHFFFAOYSA-N 1 0 368.393 2.450 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000568991867 568260368 /nfs/dbraw/zinc/26/03/68/568260368.db2.gz SIVVHIXLBXPCAF-CQSZACIVSA-N 1 0 358.320 2.003 20 5 FEBDRO C[C@@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569289452 568337756 /nfs/dbraw/zinc/33/77/56/568337756.db2.gz IGYLZSATOHCWKD-MRXNPFEDSA-N 1 0 374.485 2.184 20 5 FEBDRO CCOc1cc(C(=O)NCc2ccc(C[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000570096500 568450691 /nfs/dbraw/zinc/45/06/91/568450691.db2.gz MNMGEKHZXDHXBZ-UHFFFAOYSA-N 1 0 359.382 2.391 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000570626327 568492006 /nfs/dbraw/zinc/49/20/06/568492006.db2.gz HLVMIFCBQRAMBH-JTNHKYCSSA-N 1 0 354.769 2.090 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000570758630 568511259 /nfs/dbraw/zinc/51/12/59/568511259.db2.gz SWSFTISUWQONQU-YXJHDRRASA-N 1 0 374.441 2.078 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000556922756 674427946 /nfs/dbraw/zinc/42/79/46/674427946.db2.gz FABKTGAZWDOTBS-ZBFHGGJFSA-N 1 0 369.487 2.320 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027550 674479913 /nfs/dbraw/zinc/47/99/13/674479913.db2.gz YTMZRYZTVUJWSD-MISXGVKJSA-N 1 0 350.394 2.118 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027552 674479928 /nfs/dbraw/zinc/47/99/28/674479928.db2.gz YTMZRYZTVUJWSD-WDMOLILDSA-N 1 0 350.394 2.118 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000559603072 674549324 /nfs/dbraw/zinc/54/93/24/674549324.db2.gz AZNGBJJTUJNJRB-ZDUSSCGKSA-N 1 0 352.412 2.332 20 5 FEBDRO CC[N@@H+]1CCC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452086 608371536 /nfs/dbraw/zinc/37/15/36/608371536.db2.gz NAJPWPRWIFVIIV-NSHDSACASA-N 1 0 368.401 2.219 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)cc1SC ZINC000812326200 674666413 /nfs/dbraw/zinc/66/64/13/674666413.db2.gz ULHPIJJRLKYIAE-NWDGAFQWSA-N 1 0 365.455 2.349 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000812386777 674671889 /nfs/dbraw/zinc/67/18/89/674671889.db2.gz FDYUTSFTVKHWQS-SNVBAGLBSA-N 1 0 351.432 2.450 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000561617285 674684241 /nfs/dbraw/zinc/68/42/41/674684241.db2.gz XLKGIRYAIAVMIK-LBPRGKRZSA-N 1 0 370.247 2.452 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000813509295 674754165 /nfs/dbraw/zinc/75/41/65/674754165.db2.gz WXBJUOZQJJUQCJ-KRWDZBQOSA-N 1 0 350.394 2.087 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccccc3Cl)CC2)c1 ZINC000562991751 674832094 /nfs/dbraw/zinc/83/20/94/674832094.db2.gz RDEPMRNVVKRAJU-CYBMUJFWSA-N 1 0 350.806 2.127 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000563861838 674947146 /nfs/dbraw/zinc/94/71/46/674947146.db2.gz VNRYONHQQONBBF-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000564356902 675000491 /nfs/dbraw/zinc/00/04/91/675000491.db2.gz KVHCTOIWDPBLGJ-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001048607763 675011628 /nfs/dbraw/zinc/01/16/28/675011628.db2.gz LLPIOZJFGLLTTA-KBUPBQIOSA-N 1 0 366.487 2.129 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cccc(F)c3Cl)C[C@@H]2C1 ZINC001048814705 675015588 /nfs/dbraw/zinc/01/55/88/675015588.db2.gz YQCMBBOOLPENTO-QVHKTLOISA-N 1 0 367.808 2.035 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000564967193 675083023 /nfs/dbraw/zinc/08/30/23/675083023.db2.gz SWBQIDAJPRTYHZ-RYUDHWBXSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000065978431 670435918 /nfs/dbraw/zinc/43/59/18/670435918.db2.gz MDBWAXWKGXMELW-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114400449 670890578 /nfs/dbraw/zinc/89/05/78/670890578.db2.gz IHGOWUGYSVJUKZ-RYUDHWBXSA-N 1 0 355.822 2.426 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC000572064124 670957694 /nfs/dbraw/zinc/95/76/94/670957694.db2.gz KGJNDRXTFNLXDT-UHFFFAOYSA-N 1 0 363.805 2.366 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000572182546 670970706 /nfs/dbraw/zinc/97/07/06/670970706.db2.gz DUGGYLBGFUUXKT-AWEZNQCLSA-N 1 0 359.473 2.071 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC1 ZINC000572303290 670984462 /nfs/dbraw/zinc/98/44/62/670984462.db2.gz CKIJMOGVLHCLJX-OAHLLOKOSA-N 1 0 352.410 2.323 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566102119 675180702 /nfs/dbraw/zinc/18/07/02/675180702.db2.gz NPLALNOUUJGIAA-KKFJDGPESA-N 1 0 356.220 2.474 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000818000020 675189552 /nfs/dbraw/zinc/18/95/52/675189552.db2.gz CPVCWOAMOYXSOV-WFASDCNBSA-N 1 0 351.378 2.103 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818009577 675190304 /nfs/dbraw/zinc/19/03/04/675190304.db2.gz WHEDKQAKIVIZOV-BXKDBHETSA-N 1 0 350.375 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000576585279 671379466 /nfs/dbraw/zinc/37/94/66/671379466.db2.gz ZJICCYIUEJKLEA-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000608839530 675905367 /nfs/dbraw/zinc/90/53/67/675905367.db2.gz BGFAIOYLRPVAFB-UHFFFAOYSA-N 1 0 351.451 2.179 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000577462544 671597505 /nfs/dbraw/zinc/59/75/05/671597505.db2.gz FOGWKQSNVLJKFQ-UHFFFAOYSA-N 1 0 369.487 2.477 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCOC1 ZINC000609631666 675929961 /nfs/dbraw/zinc/92/99/61/675929961.db2.gz KZWNMTIBJBOISB-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CCOC)CC[NH+](C)C ZINC000578991007 671704310 /nfs/dbraw/zinc/70/43/10/671704310.db2.gz HOXRZDKIMJLDTM-UHFFFAOYSA-N 1 0 355.460 2.357 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000579106213 671712545 /nfs/dbraw/zinc/71/25/45/671712545.db2.gz PGYNSDXJBRUEKG-KGLIPLIRSA-N 1 0 355.460 2.308 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674203 675931941 /nfs/dbraw/zinc/93/19/41/675931941.db2.gz GLHIASLHUNSEDO-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CSC1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000579536022 671742687 /nfs/dbraw/zinc/74/26/87/671742687.db2.gz UFFGLUJNPMBQBO-UHFFFAOYSA-N 1 0 366.487 2.340 20 5 FEBDRO NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000579852097 671765935 /nfs/dbraw/zinc/76/59/35/671765935.db2.gz BMBWVBIBSGROOK-MRXNPFEDSA-N 1 0 361.423 2.062 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000580064998 671780385 /nfs/dbraw/zinc/78/03/85/671780385.db2.gz FXNLALZAHOWBDD-ZDUSSCGKSA-N 1 0 368.796 2.266 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000580356527 671800018 /nfs/dbraw/zinc/80/00/18/671800018.db2.gz JZOXRWIOPDJQCF-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1c(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000580530439 671815437 /nfs/dbraw/zinc/81/54/37/671815437.db2.gz LSRSFMYTYWSBCC-RNCFNFMXSA-N 1 0 369.219 2.491 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610024475 675947744 /nfs/dbraw/zinc/94/77/44/675947744.db2.gz PIDKABQDJIEYCJ-GFCCVEGCSA-N 1 0 350.419 2.133 20 5 FEBDRO CC[NH2+]CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581001704 671854445 /nfs/dbraw/zinc/85/44/45/671854445.db2.gz NNHZVSZYUCOWFK-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119626570 671904010 /nfs/dbraw/zinc/90/40/10/671904010.db2.gz GNMUDRNKRWCKSQ-ZDUSSCGKSA-N 1 0 369.468 2.108 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120266176 671921003 /nfs/dbraw/zinc/92/10/03/671921003.db2.gz IKMXPMWMZCCLRS-GFCCVEGCSA-N 1 0 369.468 2.455 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000610135308 675956160 /nfs/dbraw/zinc/95/61/60/675956160.db2.gz PLMNXMXWPUCKQE-RYUDHWBXSA-N 1 0 359.423 2.227 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000610135396 675956301 /nfs/dbraw/zinc/95/63/01/675956301.db2.gz RCWVQNIBOYHXMA-KGLIPLIRSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000610135259 675956370 /nfs/dbraw/zinc/95/63/70/675956370.db2.gz NXGHOGJUBHNIIG-STQMWFEESA-N 1 0 371.459 2.097 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000120859459 671937026 /nfs/dbraw/zinc/93/70/26/671937026.db2.gz ORWMQABTYLNOLJ-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000132309671 672096931 /nfs/dbraw/zinc/09/69/31/672096931.db2.gz UGLKHOFNOGPSNP-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO C[C@@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610805575 675998349 /nfs/dbraw/zinc/99/83/49/675998349.db2.gz JACHNJYRGSHMKM-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000587983939 672443626 /nfs/dbraw/zinc/44/36/26/672443626.db2.gz UEHASCWCYAWNTP-RISCZKNCSA-N 1 0 350.419 2.251 20 5 FEBDRO CSc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590398992 672578137 /nfs/dbraw/zinc/57/81/37/672578137.db2.gz BEISQTHAVKJSAJ-HIFRSBDPSA-N 1 0 365.455 2.252 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447662 672583383 /nfs/dbraw/zinc/58/33/83/672583383.db2.gz ZCRQIEAYFWQJBQ-NOZJJQNGSA-N 1 0 354.204 2.133 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@H](O)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000590573507 672591264 /nfs/dbraw/zinc/59/12/64/672591264.db2.gz ZCXVFXXVKOKUPN-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000591681390 672701270 /nfs/dbraw/zinc/70/12/70/672701270.db2.gz OVNJITCUJXEBGM-LLVKDONJSA-N 1 0 354.204 2.324 20 5 FEBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591984339 672728900 /nfs/dbraw/zinc/72/89/00/672728900.db2.gz FANXFGBWFFNFEV-SNVBAGLBSA-N 1 0 360.336 2.170 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(c1c(Br)cncc1[N+](=O)[O-])CCO2 ZINC000591990869 672730179 /nfs/dbraw/zinc/73/01/79/672730179.db2.gz FJNOYGHIGQKTLY-UHFFFAOYSA-N 1 0 371.235 2.053 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000194352549 672757515 /nfs/dbraw/zinc/75/75/15/672757515.db2.gz XFEATFLCJANGOL-GFCCVEGCSA-N 1 0 359.423 2.134 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000592242172 672776171 /nfs/dbraw/zinc/77/61/71/672776171.db2.gz QCINXVUMLPQLFI-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1SC ZINC000592241939 672776216 /nfs/dbraw/zinc/77/62/16/672776216.db2.gz LXFVEHXUUVYFJT-GFCCVEGCSA-N 1 0 353.444 2.395 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381052 672794980 /nfs/dbraw/zinc/79/49/80/672794980.db2.gz ZJHAEEQBNSPEQC-ZJUUUORDSA-N 1 0 367.349 2.162 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390580 672796817 /nfs/dbraw/zinc/79/68/17/672796817.db2.gz KPULIPKEFAKRAF-HUUCEWRRSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390810 672796852 /nfs/dbraw/zinc/79/68/52/672796852.db2.gz PLIRYJRWDQQEQA-OLZOCXBDSA-N 1 0 371.434 2.134 20 5 FEBDRO CC[NH+]1CCN(c2nnc(CSc3ccccc3[N+](=O)[O-])n2C)CC1 ZINC000592402929 672798138 /nfs/dbraw/zinc/79/81/38/672798138.db2.gz LUPBXZOPQIFVAU-UHFFFAOYSA-N 1 0 362.459 2.158 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592543754 672812730 /nfs/dbraw/zinc/81/27/30/672812730.db2.gz HOVODIWEEORKJO-CYBMUJFWSA-N 1 0 355.822 2.474 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000593601447 672955210 /nfs/dbraw/zinc/95/52/10/672955210.db2.gz ILZDFSLANARPNH-JKSUJKDBSA-N 1 0 367.446 2.315 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1C ZINC000593665788 672974105 /nfs/dbraw/zinc/97/41/05/672974105.db2.gz KUKLHAXWKKOVIA-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593732823 672984750 /nfs/dbraw/zinc/98/47/50/672984750.db2.gz PPIKYGGLJNOTRV-UHFFFAOYSA-N 1 0 361.851 2.225 20 5 FEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044372 673024770 /nfs/dbraw/zinc/02/47/70/673024770.db2.gz QTCIVGUGVWNPTM-XJKSGUPXSA-N 1 0 351.403 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000594505389 673094675 /nfs/dbraw/zinc/09/46/75/673094675.db2.gz SXTZWVHDCDWRLD-SJLPKXTDSA-N 1 0 363.483 2.380 20 5 FEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758564 673131918 /nfs/dbraw/zinc/13/19/18/673131918.db2.gz DDESRCDUOACURF-UHFFFAOYSA-N 1 0 366.443 2.105 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594801452 673147876 /nfs/dbraw/zinc/14/78/76/673147876.db2.gz ONPRQXARGKALNB-JTQLQIEISA-N 1 0 361.851 2.399 20 5 FEBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000727158959 673158685 /nfs/dbraw/zinc/15/86/85/673158685.db2.gz CLKMZXCYULOZSF-CYBMUJFWSA-N 1 0 352.822 2.357 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032992 673187798 /nfs/dbraw/zinc/18/77/98/673187798.db2.gz OLIWNWFUQOWSRE-YLQAJVPDSA-N 1 0 354.403 2.075 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000595109800 673194691 /nfs/dbraw/zinc/19/46/91/673194691.db2.gz QNKMGBSLTRVNRP-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000595120956 673197288 /nfs/dbraw/zinc/19/72/88/673197288.db2.gz QHKQZTLAHKWUMI-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO C[N@@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729263810 673230581 /nfs/dbraw/zinc/23/05/81/673230581.db2.gz JNJWDTMWSGGWQM-SECBINFHSA-N 1 0 367.349 2.252 20 5 FEBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000595406322 673244304 /nfs/dbraw/zinc/24/43/04/673244304.db2.gz BWMNVUFHPPZNCQ-WMLDXEAASA-N 1 0 350.438 2.192 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000462504611 673256076 /nfs/dbraw/zinc/25/60/76/673256076.db2.gz UMFBLQQHAVAZOF-ONGXEEELSA-N 1 0 361.851 2.318 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595512808 673259675 /nfs/dbraw/zinc/25/96/75/673259675.db2.gz YXMAPDWUFGLZKW-UHFFFAOYSA-N 1 0 351.447 2.046 20 5 FEBDRO C[C@@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596067704 673355437 /nfs/dbraw/zinc/35/54/37/673355437.db2.gz QRBBIVVMGNNKPH-CXAGYDPISA-N 1 0 364.423 2.080 20 5 FEBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596070216 673355789 /nfs/dbraw/zinc/35/57/89/673355789.db2.gz OSWSUZCOQUXNSB-MQMHXKEQSA-N 1 0 356.444 2.304 20 5 FEBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000596071482 673355829 /nfs/dbraw/zinc/35/58/29/673355829.db2.gz NSQQLHGJAOPAIW-AWEZNQCLSA-N 1 0 358.464 2.021 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[NH+](CC)CC ZINC000596090762 673358026 /nfs/dbraw/zinc/35/80/26/673358026.db2.gz VTSZRVISLQDJQR-CYBMUJFWSA-N 1 0 372.491 2.425 20 5 FEBDRO Cc1ccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000596633755 673399367 /nfs/dbraw/zinc/39/93/67/673399367.db2.gz AOGSHEFMMTUCKR-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO C[C@H](Cc1ccsc1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537943292 673414614 /nfs/dbraw/zinc/41/46/14/673414614.db2.gz JEKPZVGQTYLXNS-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]2C2CC2)c1 ZINC000538116467 673422432 /nfs/dbraw/zinc/42/24/32/673422432.db2.gz LFHJKHQHOBUEHF-HOTGVXAUSA-N 1 0 353.444 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000540192707 673527230 /nfs/dbraw/zinc/52/72/30/673527230.db2.gz NNPNFNZLOHKVCA-HUUCEWRRSA-N 1 0 367.471 2.432 20 5 FEBDRO CC(C)c1ccc(C(=O)NCCN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597990562 673527512 /nfs/dbraw/zinc/52/75/12/673527512.db2.gz YVJJVTSLCUAHAY-UHFFFAOYSA-N 1 0 350.463 2.332 20 5 FEBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000597991144 673527746 /nfs/dbraw/zinc/52/77/46/673527746.db2.gz OAHKNGNXOHGBOA-CQSZACIVSA-N 1 0 361.423 2.153 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348630 673535461 /nfs/dbraw/zinc/53/54/61/673535461.db2.gz RNOYGKSJMYGBES-KGLIPLIRSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@H]1CCCC[C@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541389776 673552206 /nfs/dbraw/zinc/55/22/06/673552206.db2.gz LFAHBNBZRMVITJ-KBPBESRZSA-N 1 0 355.460 2.289 20 5 FEBDRO COC(=O)c1ccnc(N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000598589172 673587127 /nfs/dbraw/zinc/58/71/27/673587127.db2.gz GTJCNYLMLFQWJH-UHFFFAOYSA-N 1 0 350.419 2.333 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603475 673588539 /nfs/dbraw/zinc/58/85/39/673588539.db2.gz UKSUBNUXVSBKJD-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000542576315 673591182 /nfs/dbraw/zinc/59/11/82/673591182.db2.gz FNXUKHOQOCURRI-OLZOCXBDSA-N 1 0 351.403 2.337 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598667856 673596446 /nfs/dbraw/zinc/59/64/46/673596446.db2.gz NHGSPSYNYOKZIH-YGRLFVJLSA-N 1 0 354.204 2.311 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668482 673596467 /nfs/dbraw/zinc/59/64/67/673596467.db2.gz UOIWKXQABJHWPL-XPTSAGLGSA-N 1 0 354.204 2.311 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CCC[C@H]2C[NH+]2CCCC2)cc1Br ZINC000738106569 673602331 /nfs/dbraw/zinc/60/23/31/673602331.db2.gz YIIDWOJVVPXJQB-NSHDSACASA-N 1 0 358.240 2.072 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714911 673602638 /nfs/dbraw/zinc/60/26/38/673602638.db2.gz KFYCLMXEORKFTN-FZMZJTMJSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000598716581 673602849 /nfs/dbraw/zinc/60/28/49/673602849.db2.gz NZIOOGSIFNLGID-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO CS[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000542769383 673603911 /nfs/dbraw/zinc/60/39/11/673603911.db2.gz WKGAHFLIFZLTCG-CVEARBPZSA-N 1 0 365.455 2.012 20 5 FEBDRO COc1ccc(F)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000598730654 673604246 /nfs/dbraw/zinc/60/42/46/673604246.db2.gz YDVXUZRASAGLBE-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985572 673626496 /nfs/dbraw/zinc/62/64/96/673626496.db2.gz UBGQOCPPJABUDK-CYBMUJFWSA-N 1 0 352.387 2.053 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000598985573 673626520 /nfs/dbraw/zinc/62/65/20/673626520.db2.gz UBGQOCPPJABUDK-ZDUSSCGKSA-N 1 0 352.387 2.053 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072250 673631443 /nfs/dbraw/zinc/63/14/43/673631443.db2.gz HNCAHUTZEXMLER-NILFDRSVSA-N 1 0 371.459 2.114 20 5 FEBDRO CN1CC[NH+](CC2CN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599104434 673633489 /nfs/dbraw/zinc/63/34/89/673633489.db2.gz BMPRYYIPVSQGKJ-UHFFFAOYSA-N 1 0 369.263 2.041 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000543677045 673660948 /nfs/dbraw/zinc/66/09/48/673660948.db2.gz WXJBZYFYOVDDHG-TZMCWYRMSA-N 1 0 355.460 2.315 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCN1CC=C(C)CC1 ZINC000545832375 673776957 /nfs/dbraw/zinc/77/69/57/673776957.db2.gz MKCLRJLPHXDYGR-UHFFFAOYSA-N 1 0 353.444 2.088 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000546198722 673796735 /nfs/dbraw/zinc/79/67/35/673796735.db2.gz WOOXZGQIBHNIMZ-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000601178078 673831303 /nfs/dbraw/zinc/83/13/03/673831303.db2.gz KMMPNHVNSLSSIU-OAHLLOKOSA-N 1 0 350.394 2.149 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601356611 673847614 /nfs/dbraw/zinc/84/76/14/673847614.db2.gz SJPUQRBKWKVQIC-CMPLNLGQSA-N 1 0 361.489 2.316 20 5 FEBDRO C[NH+](C)CC1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000601423883 673860043 /nfs/dbraw/zinc/86/00/43/673860043.db2.gz PTCHOKPDNLUIKI-UHFFFAOYSA-N 1 0 368.242 2.084 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000601428074 673860645 /nfs/dbraw/zinc/86/06/45/673860645.db2.gz KUDZWWZXORYODY-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601497056 673870711 /nfs/dbraw/zinc/87/07/11/673870711.db2.gz NZSDTTLJGDTXFW-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000601956373 673900100 /nfs/dbraw/zinc/90/01/00/673900100.db2.gz RCBKGRHAGALJDE-KRWDZBQOSA-N 1 0 352.431 2.098 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000602529551 673907356 /nfs/dbraw/zinc/90/73/56/673907356.db2.gz GGFVPQSCJDUIBX-AWEZNQCLSA-N 1 0 353.806 2.418 20 5 FEBDRO COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602541864 673907615 /nfs/dbraw/zinc/90/76/15/673907615.db2.gz RITFLJLPXVMDHT-MNOVXSKESA-N 1 0 361.320 2.203 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576910 673908427 /nfs/dbraw/zinc/90/84/27/673908427.db2.gz LSNJDVJYYYADPG-WCBMZHEXSA-N 1 0 362.249 2.423 20 5 FEBDRO CCOC(=O)[C@@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCOC1 ZINC000602742889 673910712 /nfs/dbraw/zinc/91/07/12/673910712.db2.gz UMQFMEZPTFYGJV-QGZVFWFLSA-N 1 0 352.387 2.053 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000603378969 673927818 /nfs/dbraw/zinc/92/78/18/673927818.db2.gz JIFUKMLIVMSKKP-UHFFFAOYSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@H]1CC2(CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1)CC[NH2+]CC2 ZINC000818291706 675211512 /nfs/dbraw/zinc/21/15/12/675211512.db2.gz BQXPEQROJJTDFF-LBPRGKRZSA-N 1 0 351.378 2.103 20 5 FEBDRO CC(C)Oc1nc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000566484157 675217902 /nfs/dbraw/zinc/21/79/02/675217902.db2.gz IYCKCRSBKOBMHO-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000566646372 675231264 /nfs/dbraw/zinc/23/12/64/675231264.db2.gz JCINLOONLPTBLO-WUKHSURWSA-N 1 0 367.471 2.211 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818938333 675244242 /nfs/dbraw/zinc/24/42/42/675244242.db2.gz VCPIZYLDXYGBLX-UHFFFAOYSA-N 1 0 353.329 2.083 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2cccc(F)c2)c1 ZINC000566909818 675252226 /nfs/dbraw/zinc/25/22/26/675252226.db2.gz PTQKVACDLLXLJH-OAHLLOKOSA-N 1 0 350.346 2.142 20 5 FEBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819184079 675267677 /nfs/dbraw/zinc/26/76/77/675267677.db2.gz AIHJVVAGKHARGP-DOMZBBRYSA-N 1 0 353.419 2.379 20 5 FEBDRO Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000567709832 675315142 /nfs/dbraw/zinc/31/51/42/675315142.db2.gz AMTAXRFCIATWHV-BXUZGUMPSA-N 1 0 351.428 2.493 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000567862012 675330122 /nfs/dbraw/zinc/33/01/22/675330122.db2.gz FFYIKBHHMBJQMU-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCC[NH+]1CCCC1 ZINC000822229729 675473461 /nfs/dbraw/zinc/47/34/61/675473461.db2.gz BTANWTLGRRDYDO-UHFFFAOYSA-N 1 0 368.821 2.422 20 5 FEBDRO CCOC(=O)Cc1ccc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825876413 675672229 /nfs/dbraw/zinc/67/22/29/675672229.db2.gz HCJNGJXZAMXWRN-HOTGVXAUSA-N 1 0 367.471 2.182 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NS(C)(=O)=O)CC1 ZINC000615833508 676231488 /nfs/dbraw/zinc/23/14/88/676231488.db2.gz UNCQMXXKVDNNJO-RAXLEYEMSA-N 1 0 353.444 2.012 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000840222761 680808631 /nfs/dbraw/zinc/80/86/31/680808631.db2.gz RIULTDSQQCCRNY-LBPRGKRZSA-N 1 0 350.371 2.397 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000765796059 680855630 /nfs/dbraw/zinc/85/56/30/680855630.db2.gz MBIOFVKHYKIGJY-ZYHUDNBSSA-N 1 0 356.220 2.362 20 5 FEBDRO CCO[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831758288 680039225 /nfs/dbraw/zinc/03/92/25/680039225.db2.gz XRFPNZFYRWJFAD-DGCLKSJQSA-N 1 0 373.837 2.098 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC000834853587 680277633 /nfs/dbraw/zinc/27/76/33/680277633.db2.gz KDHLTXSEUILPQB-GFCCVEGCSA-N 1 0 353.806 2.076 20 5 FEBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000754536014 680361820 /nfs/dbraw/zinc/36/18/20/680361820.db2.gz BPHYBNPPQGKWHF-LLVKDONJSA-N 1 0 355.778 2.118 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000997768756 680365575 /nfs/dbraw/zinc/36/55/75/680365575.db2.gz JIYBWCCSXODWQV-GDBMZVCRSA-N 1 0 369.824 2.473 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000837005958 680540323 /nfs/dbraw/zinc/54/03/23/680540323.db2.gz XBQZFBDXJJWQDN-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000841160306 680866666 /nfs/dbraw/zinc/86/66/66/680866666.db2.gz BZPKFFXJFXLXFA-VIFPVBQESA-N 1 0 357.208 2.431 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000841526845 680892027 /nfs/dbraw/zinc/89/20/27/680892027.db2.gz AANAJVQCUGKXPN-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO C[NH+](C)C1CN(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC000841756229 680910566 /nfs/dbraw/zinc/91/05/66/680910566.db2.gz WCRTUTIONGFOAJ-GFCCVEGCSA-N 1 0 364.299 2.293 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477066 680949146 /nfs/dbraw/zinc/94/91/46/680949146.db2.gz DSHXRUVRMWGPLC-ZBEGNZNMSA-N 1 0 352.822 2.403 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000842483306 680950193 /nfs/dbraw/zinc/95/01/93/680950193.db2.gz IPFPIMZFRNRLTB-CYBMUJFWSA-N 1 0 361.851 2.223 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768849404 680961326 /nfs/dbraw/zinc/96/13/26/680961326.db2.gz WWNFXPDWKZWBGZ-LBPRGKRZSA-N 1 0 359.473 2.009 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000842873910 680972935 /nfs/dbraw/zinc/97/29/35/680972935.db2.gz QPADZMCAPNCECG-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843108823 680988140 /nfs/dbraw/zinc/98/81/40/680988140.db2.gz UMNLPGNOUBNHRE-NFAWXSAZSA-N 1 0 366.439 2.498 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000843369065 681000257 /nfs/dbraw/zinc/00/02/57/681000257.db2.gz VQHOKVGYLFBGAB-VHRBIJSZSA-N 1 0 352.822 2.246 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843386477 681000761 /nfs/dbraw/zinc/00/07/61/681000761.db2.gz JMQGMODPKAQOAP-SUNKGSAMSA-N 1 0 352.822 2.259 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]C[C@](C)(F)C1 ZINC000843388405 681000795 /nfs/dbraw/zinc/00/07/95/681000795.db2.gz YAWWRCKUDGUGRQ-BONVTDFDSA-N 1 0 358.801 2.209 20 5 FEBDRO C[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401097 681001825 /nfs/dbraw/zinc/00/18/25/681001825.db2.gz GNNIZFPNLBVDCV-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC001050516786 681049186 /nfs/dbraw/zinc/04/91/86/681049186.db2.gz JOHKPWNPMOWHLQ-HZPDHXFCSA-N 1 0 363.845 2.430 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1COC3(CCCC3)O1)OCCO2 ZINC000773419563 681141046 /nfs/dbraw/zinc/14/10/46/681141046.db2.gz XFAGVDZWXGLIPR-CYBMUJFWSA-N 1 0 350.371 2.141 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932509407 681258472 /nfs/dbraw/zinc/25/84/72/681258472.db2.gz MZJSIMRWFGIBMG-AWEZNQCLSA-N 1 0 351.451 2.117 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846686880 681275456 /nfs/dbraw/zinc/27/54/56/681275456.db2.gz BNYPXHCAXRIMBY-NORZTCDRSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846698911 681276695 /nfs/dbraw/zinc/27/66/95/681276695.db2.gz CVIJSOVZBAWZPR-WQVCFCJDSA-N 1 0 351.378 2.235 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846698902 681276755 /nfs/dbraw/zinc/27/67/55/681276755.db2.gz CVIJSOVZBAWZPR-DAXOMENPSA-N 1 0 351.378 2.235 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932704428 681292078 /nfs/dbraw/zinc/29/20/78/681292078.db2.gz UXRWOXXILASXDR-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847257259 681354625 /nfs/dbraw/zinc/35/46/25/681354625.db2.gz VUZLMALYROZIIQ-HOCLYGCPSA-N 1 0 351.378 2.246 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000775999195 681355829 /nfs/dbraw/zinc/35/58/29/681355829.db2.gz HRNWAKXZOXNZRW-KGLIPLIRSA-N 1 0 372.878 2.164 20 5 FEBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584740 681411201 /nfs/dbraw/zinc/41/12/01/681411201.db2.gz PSLGATGZKATQTH-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591691 681412624 /nfs/dbraw/zinc/41/26/24/681412624.db2.gz FVHIDECTWPLNKJ-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848580759 681581882 /nfs/dbraw/zinc/58/18/82/681581882.db2.gz CUEMHALUXGEYQK-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000934955777 681664183 /nfs/dbraw/zinc/66/41/83/681664183.db2.gz ZHOYJXHHYRHGRI-CQSZACIVSA-N 1 0 367.471 2.283 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c1 ZINC000779905622 681769726 /nfs/dbraw/zinc/76/97/26/681769726.db2.gz XNSXEJXZJDGING-SNVBAGLBSA-N 1 0 361.851 2.177 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519045 681911782 /nfs/dbraw/zinc/91/17/82/681911782.db2.gz WXIQRQJVQDLVFH-NSHDSACASA-N 1 0 352.334 2.149 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000850588837 681920640 /nfs/dbraw/zinc/92/06/40/681920640.db2.gz GPHBXTPNIHAMBT-ZDUSSCGKSA-N 1 0 371.434 2.134 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000850590787 681921595 /nfs/dbraw/zinc/92/15/95/681921595.db2.gz BYNJNQIZYHZEDF-DGCLKSJQSA-N 1 0 359.423 2.262 20 5 FEBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC[NH2+]1 ZINC000851895569 682180822 /nfs/dbraw/zinc/18/08/22/682180822.db2.gz CTMLJDPIQRWKIR-NSHDSACASA-N 1 0 365.814 2.006 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719469 682248511 /nfs/dbraw/zinc/24/85/11/682248511.db2.gz ASRDQWQLFGDBAA-YPMHNXCESA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853131645 682380747 /nfs/dbraw/zinc/38/07/47/682380747.db2.gz SMAXHZCIKBBSAX-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(OC(F)F)c1 ZINC000853966271 682495581 /nfs/dbraw/zinc/49/55/81/682495581.db2.gz RRXMGYWOYWSDNC-ZDUSSCGKSA-N 1 0 357.357 2.232 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000854643861 682574324 /nfs/dbraw/zinc/57/43/24/682574324.db2.gz ZJDMWAVLHSNAOO-GDBMZVCRSA-N 1 0 367.833 2.492 20 5 FEBDRO NC(C[NH+]1CCCCCC1)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789592899 682620772 /nfs/dbraw/zinc/62/07/72/682620772.db2.gz ZZMVTPYISKSQLA-UHFFFAOYSA-N 1 0 351.363 2.377 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855167180 682634940 /nfs/dbraw/zinc/63/49/40/682634940.db2.gz XEHHRPJCGXCSCV-NSHDSACASA-N 1 0 350.375 2.414 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855346296 682659745 /nfs/dbraw/zinc/65/97/45/682659745.db2.gz VNNRRNGTGWRAEC-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000857008190 682843037 /nfs/dbraw/zinc/84/30/37/682843037.db2.gz DDGRYDPTGRVXCZ-RMLUDKJBSA-N 1 0 372.194 2.450 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857236153 682867503 /nfs/dbraw/zinc/86/75/03/682867503.db2.gz XUPOKGXNYQJLFH-HZMBPMFUSA-N 1 0 359.835 2.059 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000857232461 682867718 /nfs/dbraw/zinc/86/77/18/682867718.db2.gz XYTVSFMAHKRVRH-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000926112145 683077834 /nfs/dbraw/zinc/07/78/34/683077834.db2.gz MWFIRHDPVKYJET-UHFFFAOYSA-N 1 0 369.853 2.445 20 5 FEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795830545 683096076 /nfs/dbraw/zinc/09/60/76/683096076.db2.gz VVCREJVKUZSZGW-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000797069529 683219777 /nfs/dbraw/zinc/21/97/77/683219777.db2.gz FMZDIRHTDGZMPY-CYBMUJFWSA-N 1 0 367.471 2.119 20 5 FEBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798229002 683325365 /nfs/dbraw/zinc/32/53/65/683325365.db2.gz VVZCVTRRUODTQW-MRVPVSSYSA-N 1 0 353.803 2.006 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451743 683453962 /nfs/dbraw/zinc/45/39/62/683453962.db2.gz GNQUZPOTAVYHEN-DGCLKSJQSA-N 1 0 353.444 2.045 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929212164 683562807 /nfs/dbraw/zinc/56/28/07/683562807.db2.gz NWNONXWUBPYVDR-KBPBESRZSA-N 1 0 368.821 2.311 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000922156313 683671331 /nfs/dbraw/zinc/67/13/31/683671331.db2.gz MHXNSFJVEYCUCZ-LLVKDONJSA-N 1 0 356.220 2.110 20 5 FEBDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643425 683760226 /nfs/dbraw/zinc/76/02/26/683760226.db2.gz YDQHAYNXICRMGR-QPUJVOFHSA-N 1 0 362.167 2.324 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000922876389 683796319 /nfs/dbraw/zinc/79/63/19/683796319.db2.gz VMUQSGHRUCECCO-XGHVKYEFSA-N 1 0 352.387 2.384 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000931186299 683849750 /nfs/dbraw/zinc/84/97/50/683849750.db2.gz LVCIALXIKHKCFF-QWHCGFSZSA-N 1 0 367.833 2.160 20 5 FEBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865810925 684031516 /nfs/dbraw/zinc/03/15/16/684031516.db2.gz LCUQSZLYUXQQDA-SNVBAGLBSA-N 1 0 358.236 2.356 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866073319 684068659 /nfs/dbraw/zinc/06/86/59/684068659.db2.gz OJVHSVQZXVUEDA-ZYHUDNBSSA-N 1 0 370.247 2.499 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000866326866 684092422 /nfs/dbraw/zinc/09/24/22/684092422.db2.gz NMWWULSIEROXHE-DOMZBBRYSA-N 1 0 354.378 2.177 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866827534 684162560 /nfs/dbraw/zinc/16/25/60/684162560.db2.gz ONLSCHDGHBSBCG-NWDGAFQWSA-N 1 0 359.835 2.072 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279979 684253682 /nfs/dbraw/zinc/25/36/82/684253682.db2.gz AICCTZWMLOUVTL-APAOZMKASA-N 1 0 352.822 2.067 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000867381040 684264201 /nfs/dbraw/zinc/26/42/01/684264201.db2.gz AMVNARONPACVDF-LSDHHAIUSA-N 1 0 367.446 2.315 20 5 FEBDRO CO[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@](C)(C[NH3+])C1 ZINC000923413153 684277824 /nfs/dbraw/zinc/27/78/24/684277824.db2.gz UCTRLCJZSKOZAG-OCCSQVGLSA-N 1 0 358.236 2.295 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000867601695 684326596 /nfs/dbraw/zinc/32/65/96/684326596.db2.gz XNJSHAVQCKRXKQ-UHFFFAOYSA-N 1 0 359.473 2.295 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923737251 684343244 /nfs/dbraw/zinc/34/32/44/684343244.db2.gz YHKCJZHCTVNMLM-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO CCOc1cc(COC(=O)COC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000923788093 684349892 /nfs/dbraw/zinc/34/98/92/684349892.db2.gz HNHGYLYUILISLJ-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000867743290 684370205 /nfs/dbraw/zinc/37/02/05/684370205.db2.gz OOMIFQYBNNJTQJ-UHFFFAOYSA-N 1 0 369.487 2.320 20 5 FEBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868009700 684438740 /nfs/dbraw/zinc/43/87/40/684438740.db2.gz ISHZCBJWVBOMMI-VIFPVBQESA-N 1 0 356.220 2.475 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000868519617 684505135 /nfs/dbraw/zinc/50/51/35/684505135.db2.gz CYEONUUGRNQLHB-RISCZKNCSA-N 1 0 368.231 2.062 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000878169903 686533997 /nfs/dbraw/zinc/53/39/97/686533997.db2.gz WYVSZLVGWXPIEF-CYBMUJFWSA-N 1 0 353.423 2.041 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000879575052 686860232 /nfs/dbraw/zinc/86/02/32/686860232.db2.gz ILCZEUOIKSWDFM-IAQYHMDHSA-N 1 0 352.822 2.213 20 5 FEBDRO Cc1c(Cl)ccc2c1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000879768951 686906078 /nfs/dbraw/zinc/90/60/78/686906078.db2.gz KOTGVXZCSHNVTN-CQSZACIVSA-N 1 0 350.806 2.172 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880580014 687061882 /nfs/dbraw/zinc/06/18/82/687061882.db2.gz XUTNOMZHHMKPMH-MRXNPFEDSA-N 1 0 350.415 2.227 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000883306384 687605416 /nfs/dbraw/zinc/60/54/16/687605416.db2.gz UNHXFAMXUDTPAE-QGZVFWFLSA-N 1 0 367.471 2.121 20 5 FEBDRO CN(C)S(=O)(=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000886737133 688298646 /nfs/dbraw/zinc/29/86/46/688298646.db2.gz UBZISJABMAATBY-OAHLLOKOSA-N 1 0 367.471 2.331 20 5 FEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000890886500 688979643 /nfs/dbraw/zinc/97/96/43/688979643.db2.gz OWMMFNVGRHOJBU-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H](O)C[NH+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892316729 689179165 /nfs/dbraw/zinc/17/91/65/689179165.db2.gz WAKDOCFZHQLLHL-LLVKDONJSA-N 1 0 350.806 2.299 20 5 FEBDRO COc1c(O)ccc(C[NH2+]CCCN(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC000892579682 689214452 /nfs/dbraw/zinc/21/44/52/689214452.db2.gz UJSSNDSXTKHKLV-UHFFFAOYSA-N 1 0 351.325 2.283 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000893021296 689282264 /nfs/dbraw/zinc/28/22/64/689282264.db2.gz BHAZJQWRVKIESO-DZGCQCFKSA-N 1 0 351.451 2.211 20 5 FEBDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(F)F ZINC000894785852 689595581 /nfs/dbraw/zinc/59/55/81/689595581.db2.gz CJHQMIZGQZHONU-TZMCWYRMSA-N 1 0 353.325 2.263 20 5 FEBDRO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246117 689683451 /nfs/dbraw/zinc/68/34/51/689683451.db2.gz LMTYKZVICHFYTN-QMTHXVAHSA-N 1 0 357.252 2.404 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1Br ZINC000895749594 689765299 /nfs/dbraw/zinc/76/52/99/689765299.db2.gz UBDUNMNWCCCOPY-BDAKNGLRSA-N 1 0 365.249 2.438 20 5 FEBDRO C[NH+](C)CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C1CC1 ZINC000898018111 690115517 /nfs/dbraw/zinc/11/55/17/690115517.db2.gz ZGIPTOUOQLLKAI-UHFFFAOYSA-N 1 0 371.235 2.106 20 5 FEBDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000899213383 690320433 /nfs/dbraw/zinc/32/04/33/690320433.db2.gz DNVYJPJOQOLRRW-JTQLQIEISA-N 1 0 356.220 2.315 20 5 FEBDRO [NH3+]CCSCc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640896 690541888 /nfs/dbraw/zinc/54/18/88/690541888.db2.gz GOXVSDKJTSBCAZ-UHFFFAOYSA-N 1 0 372.248 2.189 20 5 FEBDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000902951301 690823289 /nfs/dbraw/zinc/82/32/89/690823289.db2.gz NELHCIDGYPRSAG-UKRRQHHQSA-N 1 0 356.444 2.306 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140997 690850671 /nfs/dbraw/zinc/85/06/71/690850671.db2.gz JNRHBJQJPAKMKI-WBMJQRKESA-N 1 0 352.387 2.176 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc([N+](=O)[O-])c1 ZINC000903225606 690869353 /nfs/dbraw/zinc/86/93/53/690869353.db2.gz HDJGMRCDTXXMHV-DTMRBDBOSA-N 1 0 354.428 2.362 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000903291540 690878639 /nfs/dbraw/zinc/87/86/39/690878639.db2.gz BZEUCCJLJOTKHG-LBPRGKRZSA-N 1 0 373.500 2.393 20 5 FEBDRO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000903529556 690912974 /nfs/dbraw/zinc/91/29/74/690912974.db2.gz JVCIGGJJJAGNCY-AWEZNQCLSA-N 1 0 350.419 2.006 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]C[C@H]1C(F)F ZINC000903748882 690969277 /nfs/dbraw/zinc/96/92/77/690969277.db2.gz CHDMQBUHLVWPIA-NSHDSACASA-N 1 0 350.163 2.396 20 5 FEBDRO [NH3+][C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C(F)(F)F ZINC000903982788 690992138 /nfs/dbraw/zinc/99/21/38/690992138.db2.gz VIKMNGRFJSQKBI-GHMZBOCLSA-N 1 0 361.320 2.078 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905517014 691130756 /nfs/dbraw/zinc/13/07/56/691130756.db2.gz OXMBZNOZDNACDS-BNOWGMLFSA-N 1 0 364.320 2.034 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000906215559 691243050 /nfs/dbraw/zinc/24/30/50/691243050.db2.gz UEHLPDZVJMXPDR-UHFFFAOYSA-N 1 0 369.849 2.409 20 5 FEBDRO COC1CC[NH+](CCNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906930975 691346726 /nfs/dbraw/zinc/34/67/26/691346726.db2.gz SXTKLRVDPZRZST-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000910280328 691910553 /nfs/dbraw/zinc/91/05/53/691910553.db2.gz QLLXRFKCEOJDBY-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO COc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726505 720376211 /nfs/dbraw/zinc/37/62/11/720376211.db2.gz OZWOXXFMYQUEAU-HZPDHXFCSA-N 1 0 355.398 2.247 20 5 FEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1N)[C@H]2C ZINC001164858145 720996036 /nfs/dbraw/zinc/99/60/36/720996036.db2.gz IBBFSQWLYGUKDR-LBPRGKRZSA-N 1 0 359.434 2.190 20 5 FEBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000359956444 210200587 /nfs/dbraw/zinc/20/05/87/210200587.db2.gz KYGWEAGRTREQAE-UHFFFAOYSA-N 1 0 369.425 2.309 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000359928369 210197559 /nfs/dbraw/zinc/19/75/59/210197559.db2.gz RJGDWWJSXALHRQ-CSHXORCISA-N 1 0 372.469 2.237 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccsc1 ZINC000025814868 539770020 /nfs/dbraw/zinc/77/00/20/539770020.db2.gz MVDDLXITSNYGJQ-CYBMUJFWSA-N 1 0 363.395 2.418 20 5 FEBDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026321680 539782928 /nfs/dbraw/zinc/78/29/28/539782928.db2.gz KYHUFTBUIIMYFJ-KRWDZBQOSA-N 1 0 374.393 2.253 20 5 FEBDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000026748987 539791635 /nfs/dbraw/zinc/79/16/35/539791635.db2.gz SVMKLBGXNUGNEN-UHFFFAOYSA-N 1 0 368.437 2.142 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[NH+](C)C)c1 ZINC000027594942 539811178 /nfs/dbraw/zinc/81/11/78/539811178.db2.gz JAOLJFWGLWRCTQ-GOSISDBHSA-N 1 0 373.409 2.401 20 5 FEBDRO NC(=O)c1ccc(NCC2([NH+]3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000029620750 539858942 /nfs/dbraw/zinc/85/89/42/539858942.db2.gz QUYYBCDKXMGIMG-UHFFFAOYSA-N 1 0 364.471 2.467 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000029630406 539859263 /nfs/dbraw/zinc/85/92/63/539859263.db2.gz VFSOPCIIMBRDLP-LJQANCHMSA-N 1 0 371.437 2.152 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000031465666 539908595 /nfs/dbraw/zinc/90/85/95/539908595.db2.gz DWRDIGPONJDXEI-UHFFFAOYSA-N 1 0 356.382 2.139 20 5 FEBDRO O=C(CC[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041896851 540039018 /nfs/dbraw/zinc/03/90/18/540039018.db2.gz RVDUSSXKWJJRNN-UHFFFAOYSA-N 1 0 374.441 2.258 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000043084811 540087645 /nfs/dbraw/zinc/08/76/45/540087645.db2.gz USFVDQUIQVHMJL-OLZOCXBDSA-N 1 0 363.414 2.374 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000046484463 540259375 /nfs/dbraw/zinc/25/93/75/540259375.db2.gz BMEATYHDIBWOHN-MRXNPFEDSA-N 1 0 358.446 2.119 20 5 FEBDRO C[NH+](C)CCOc1ccccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000047298924 540303204 /nfs/dbraw/zinc/30/32/04/540303204.db2.gz AUHJURZURJSZNG-UHFFFAOYSA-N 1 0 372.425 2.377 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000048693269 540370638 /nfs/dbraw/zinc/37/06/38/540370638.db2.gz SLUVDDFTRBEGJH-UHFFFAOYSA-N 1 0 350.419 2.077 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000051236040 540427761 /nfs/dbraw/zinc/42/77/61/540427761.db2.gz VWZIOFWXCDKQSF-UHFFFAOYSA-N 1 0 361.446 2.275 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991101 540562939 /nfs/dbraw/zinc/56/29/39/540562939.db2.gz SUCBZTXDBWOKTO-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000056113562 540703604 /nfs/dbraw/zinc/70/36/04/540703604.db2.gz PZOKYSTUPDSCIJ-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166635 540774311 /nfs/dbraw/zinc/77/43/11/540774311.db2.gz MNVQIJOHNXIYBV-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO CNC(=O)C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061027852 541124943 /nfs/dbraw/zinc/12/49/43/541124943.db2.gz LVOLLBXIGZTNHN-UHFFFAOYSA-N 1 0 359.382 2.018 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000065897347 541269610 /nfs/dbraw/zinc/26/96/10/541269610.db2.gz GLQQQAWHTNPVAU-UHFFFAOYSA-N 1 0 371.441 2.128 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066124697 541283706 /nfs/dbraw/zinc/28/37/06/541283706.db2.gz KELRVJYQGSHFCM-ZDUSSCGKSA-N 1 0 359.430 2.455 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000067233474 541434873 /nfs/dbraw/zinc/43/48/73/541434873.db2.gz CZDXHIXJPZAIKJ-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067382962 541452477 /nfs/dbraw/zinc/45/24/77/541452477.db2.gz NCQCSOBLYAIPNI-AWEZNQCLSA-N 1 0 357.414 2.456 20 5 FEBDRO CCCCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000067949517 541532278 /nfs/dbraw/zinc/53/22/78/541532278.db2.gz RTGRLWQLMVUHTD-UHFFFAOYSA-N 1 0 358.464 2.037 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068311646 541575362 /nfs/dbraw/zinc/57/53/62/541575362.db2.gz XAMYQIIBPDSENJ-OAHLLOKOSA-N 1 0 363.414 2.023 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000068486507 541598560 /nfs/dbraw/zinc/59/85/60/541598560.db2.gz JOHYWAFXKSKQFT-MRXNPFEDSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525238 541603606 /nfs/dbraw/zinc/60/36/06/541603606.db2.gz GWIIXGZFFAITMS-HNNXBMFYSA-N 1 0 363.462 2.403 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000068961050 541644579 /nfs/dbraw/zinc/64/45/79/541644579.db2.gz KBFUBRQRZVXMPB-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068985467 541646895 /nfs/dbraw/zinc/64/68/95/541646895.db2.gz LVXOOWZVYMOENS-WMZOPIPTSA-N 1 0 369.425 2.324 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871088 541747577 /nfs/dbraw/zinc/74/75/77/541747577.db2.gz GKXUJCQVEZGPDN-AWEZNQCLSA-N 1 0 374.445 2.416 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000073100475 541918086 /nfs/dbraw/zinc/91/80/86/541918086.db2.gz CKSDWOKCJPGRPU-UHFFFAOYSA-N 1 0 368.437 2.423 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCOCC1 ZINC000073131118 541922524 /nfs/dbraw/zinc/92/25/24/541922524.db2.gz HRRCWFXGJZKVEP-UHFFFAOYSA-N 1 0 362.430 2.010 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074511505 542093516 /nfs/dbraw/zinc/09/35/16/542093516.db2.gz CJXXBMVGCBLNQX-UHFFFAOYSA-N 1 0 371.441 2.250 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000074798309 542122813 /nfs/dbraw/zinc/12/28/13/542122813.db2.gz ZKBPRBDNKYZXOH-QGZVFWFLSA-N 1 0 367.409 2.346 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000077363800 542372890 /nfs/dbraw/zinc/37/28/90/542372890.db2.gz BIDYMNBSBRMQQS-UHFFFAOYSA-N 1 0 360.458 2.148 20 5 FEBDRO CCOC(=O)c1ccnc(N2CCC[N@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000077967229 542433521 /nfs/dbraw/zinc/43/35/21/542433521.db2.gz LLARAQPUPDCGGL-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000081287744 542644552 /nfs/dbraw/zinc/64/45/52/542644552.db2.gz BSSIIPKHCMAWRF-UHFFFAOYSA-N 1 0 362.474 2.359 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000081364232 542651280 /nfs/dbraw/zinc/65/12/80/542651280.db2.gz CTCAZSNHICQHEK-CYBMUJFWSA-N 1 0 363.414 2.170 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000082992214 542688675 /nfs/dbraw/zinc/68/86/75/542688675.db2.gz XNWKIPKPNOOWCG-UHFFFAOYSA-N 1 0 358.398 2.013 20 5 FEBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089603319 542766571 /nfs/dbraw/zinc/76/65/71/542766571.db2.gz JCVNYEDVCHFMJV-MRXNPFEDSA-N 1 0 374.441 2.152 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802141323 674163676 /nfs/dbraw/zinc/16/36/76/674163676.db2.gz VYSXDQJSDOEUDM-CQSZACIVSA-N 1 0 352.387 2.260 20 5 FEBDRO COC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000090650611 542787690 /nfs/dbraw/zinc/78/76/90/542787690.db2.gz OXKHUNAIUFPYTC-CYBMUJFWSA-N 1 0 351.403 2.097 20 5 FEBDRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000090650608 542787842 /nfs/dbraw/zinc/78/78/42/542787842.db2.gz OXKHUNAIUFPYTC-ZDUSSCGKSA-N 1 0 351.403 2.097 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(Sc2nnc(C3CC[NH2+]CC3)n2C)c1 ZINC000092655478 542878076 /nfs/dbraw/zinc/87/80/76/542878076.db2.gz BNOHMLKGQJXZRC-UHFFFAOYSA-N 1 0 367.406 2.489 20 5 FEBDRO COCC[N@H+](CCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093005892 542901466 /nfs/dbraw/zinc/90/14/66/542901466.db2.gz ZPOHUUUWVBHBKJ-UHFFFAOYSA-N 1 0 350.371 2.304 20 5 FEBDRO C[N@H+](CCCO)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093413041 542929913 /nfs/dbraw/zinc/92/99/13/542929913.db2.gz UWVUQCWYGPGTEG-UHFFFAOYSA-N 1 0 373.400 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)nc1 ZINC000093534707 542934108 /nfs/dbraw/zinc/93/41/08/542934108.db2.gz MCGRYPRIVMEYNR-HNNXBMFYSA-N 1 0 365.397 2.461 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1OC ZINC000093870225 542943425 /nfs/dbraw/zinc/94/34/25/542943425.db2.gz LOFBZPOQDBKJOO-CYBMUJFWSA-N 1 0 360.414 2.410 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102345970 543065472 /nfs/dbraw/zinc/06/54/72/543065472.db2.gz BRRJBYHKZOFOQI-AWEZNQCLSA-N 1 0 351.451 2.297 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000102489979 543071979 /nfs/dbraw/zinc/07/19/79/543071979.db2.gz CIHSKIFIGBSJHX-UGSOOPFHSA-N 1 0 365.478 2.425 20 5 FEBDRO Cc1nn(CCC(=O)N(CC(C)C)C2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000102490105 543072051 /nfs/dbraw/zinc/07/20/51/543072051.db2.gz MUFPYLBWYJMUOD-UHFFFAOYSA-N 1 0 365.478 2.377 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000103006857 543088239 /nfs/dbraw/zinc/08/82/39/543088239.db2.gz OCGLTJPMARIQMJ-CYBMUJFWSA-N 1 0 372.381 2.137 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000551888125 674168910 /nfs/dbraw/zinc/16/89/10/674168910.db2.gz MGTYHRYGARXBBA-GDBMZVCRSA-N 1 0 365.455 2.289 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000103531938 543113836 /nfs/dbraw/zinc/11/38/36/543113836.db2.gz XUQLGTLOHCBDJN-UHFFFAOYSA-N 1 0 350.375 2.225 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104694574 543137451 /nfs/dbraw/zinc/13/74/51/543137451.db2.gz KFMJVHBTPLOOSC-UHFFFAOYSA-N 1 0 374.441 2.181 20 5 FEBDRO Cc1sc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000107282799 543264928 /nfs/dbraw/zinc/26/49/28/543264928.db2.gz RLZYRKBUPQUPCE-CQSZACIVSA-N 1 0 366.487 2.207 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107708624 543276670 /nfs/dbraw/zinc/27/66/70/543276670.db2.gz WZDWMSVQCGPNML-AWEZNQCLSA-N 1 0 353.444 2.234 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([NH2+]C(C)C)CC1 ZINC000108369546 543287484 /nfs/dbraw/zinc/28/74/84/543287484.db2.gz FLIXCSBKZHLAHP-UHFFFAOYSA-N 1 0 364.446 2.394 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000111348575 543398121 /nfs/dbraw/zinc/39/81/21/543398121.db2.gz IDNNYAYCIXOEBP-AWEZNQCLSA-N 1 0 363.439 2.394 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112079345 543429845 /nfs/dbraw/zinc/42/98/45/543429845.db2.gz CFKFZJNRLMNHSS-KRWDZBQOSA-N 1 0 371.441 2.498 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000112914770 543467899 /nfs/dbraw/zinc/46/78/99/543467899.db2.gz XGOFYANNHDRBDI-MRXNPFEDSA-N 1 0 368.865 2.250 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198539 543507746 /nfs/dbraw/zinc/50/77/46/543507746.db2.gz QZBFRVSPQCYMSF-NWDGAFQWSA-N 1 0 354.838 2.459 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115272458 543557130 /nfs/dbraw/zinc/55/71/30/543557130.db2.gz XIHKBYNPKMWYFW-CRAIPNDOSA-N 1 0 363.458 2.391 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115486631 543570286 /nfs/dbraw/zinc/57/02/86/543570286.db2.gz DCFCOTVZLVMVEN-CZUORRHYSA-N 1 0 364.446 2.044 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115486625 543570292 /nfs/dbraw/zinc/57/02/92/543570292.db2.gz DCFCOTVZLVMVEN-CJNGLKHVSA-N 1 0 364.446 2.044 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000116125870 543599725 /nfs/dbraw/zinc/59/97/25/543599725.db2.gz DSZJVAXZDNQPPU-OAHLLOKOSA-N 1 0 365.430 2.478 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000117336087 543629921 /nfs/dbraw/zinc/62/99/21/543629921.db2.gz VYRZPCMSBKHXQI-ZDUSSCGKSA-N 1 0 371.397 2.496 20 5 FEBDRO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119429091 543666972 /nfs/dbraw/zinc/66/69/72/543666972.db2.gz XOOAAKRTAOADQD-CJNGLKHVSA-N 1 0 361.446 2.002 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124832292 543845414 /nfs/dbraw/zinc/84/54/14/543845414.db2.gz YRWFDKHNQTWOQY-HNNXBMFYSA-N 1 0 357.414 2.302 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000125764777 543900317 /nfs/dbraw/zinc/90/03/17/543900317.db2.gz AYCPUNVUCQNNFC-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126471005 543937615 /nfs/dbraw/zinc/93/76/15/543937615.db2.gz JKNNZQJAXOIELF-WMLDXEAASA-N 1 0 358.442 2.482 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000127744019 544011601 /nfs/dbraw/zinc/01/16/01/544011601.db2.gz GMMROPCAQOHUKX-CQSZACIVSA-N 1 0 363.462 2.445 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127838427 544016101 /nfs/dbraw/zinc/01/61/01/544016101.db2.gz HERLRHFTXDIVKN-AWEZNQCLSA-N 1 0 350.419 2.444 20 5 FEBDRO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1CCOC ZINC000130588811 544157006 /nfs/dbraw/zinc/15/70/06/544157006.db2.gz JPUYQUIWFPBLQI-GFCCVEGCSA-N 1 0 373.251 2.299 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000133634466 544277665 /nfs/dbraw/zinc/27/76/65/544277665.db2.gz WDCKMKDGGSGINW-IAGOWNOFSA-N 1 0 374.485 2.154 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000134056457 544292837 /nfs/dbraw/zinc/29/28/37/544292837.db2.gz OOECSBMQLUCKKB-LBPRGKRZSA-N 1 0 359.423 2.053 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000137326182 544388848 /nfs/dbraw/zinc/38/88/48/544388848.db2.gz WRNPRHRPYSYQBY-ZDUSSCGKSA-N 1 0 367.471 2.093 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502452 544391250 /nfs/dbraw/zinc/39/12/50/544391250.db2.gz CPHDPUYWFPKIOT-WFASDCNBSA-N 1 0 357.414 2.030 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146621711 544440209 /nfs/dbraw/zinc/44/02/09/544440209.db2.gz BTSAUKXLQVWKDA-GFCCVEGCSA-N 1 0 359.835 2.107 20 5 FEBDRO COc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000150821795 544475584 /nfs/dbraw/zinc/47/55/84/544475584.db2.gz AMLXQMRAKVEKCC-ZDUSSCGKSA-N 1 0 371.459 2.098 20 5 FEBDRO O=C(CN1CCC[C@H](c2nncn2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000152478802 544658168 /nfs/dbraw/zinc/65/81/68/544658168.db2.gz ZYEWMXFENSTOLZ-ZDUSSCGKSA-N 1 0 370.413 2.339 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1C ZINC000152874420 544705740 /nfs/dbraw/zinc/70/57/40/544705740.db2.gz CWPYYBONVCZOQR-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000152883546 544706543 /nfs/dbraw/zinc/70/65/43/544706543.db2.gz KWLFVIICBURVSJ-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000153553878 544789960 /nfs/dbraw/zinc/78/99/60/544789960.db2.gz DWWFBYTVQLICQV-UHFFFAOYSA-N 1 0 362.821 2.402 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153942542 544842701 /nfs/dbraw/zinc/84/27/01/544842701.db2.gz YIETZHSOWMXRTK-RDTXWAMCSA-N 1 0 359.426 2.449 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000553317602 674252699 /nfs/dbraw/zinc/25/26/99/674252699.db2.gz BSJKLMDCXWMYOF-UHFFFAOYSA-N 1 0 350.419 2.761 20 5 FEBDRO CCC[NH+]1CCC(CNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000553326832 674253406 /nfs/dbraw/zinc/25/34/06/674253406.db2.gz RNGVPEUHLYWIJY-UHFFFAOYSA-N 1 0 350.419 2.619 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182820910 327790153 /nfs/dbraw/zinc/79/01/53/327790153.db2.gz AUIQLSCJKODKLO-GHMZBOCLSA-N 1 0 368.821 2.176 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184979063 327893019 /nfs/dbraw/zinc/89/30/19/327893019.db2.gz NNUYHFFOTHUBAC-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000188255357 328076071 /nfs/dbraw/zinc/07/60/71/328076071.db2.gz HZXMXKBZGWOAAO-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000188624910 328099745 /nfs/dbraw/zinc/09/97/45/328099745.db2.gz FMZOXCGWYHWLBQ-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188825575 328112915 /nfs/dbraw/zinc/11/29/15/328112915.db2.gz HZIUQRHSGCBHCK-ZDUSSCGKSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000189396260 328145348 /nfs/dbraw/zinc/14/53/48/328145348.db2.gz OHTRIJZENXLNNM-OAHLLOKOSA-N 1 0 374.441 2.319 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189794119 328168356 /nfs/dbraw/zinc/16/83/56/328168356.db2.gz JNZDMJCUPUNSFB-OAHLLOKOSA-N 1 0 362.474 2.474 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190698320 328225688 /nfs/dbraw/zinc/22/56/88/328225688.db2.gz LRDSRFMEVIBXSM-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000191408604 328264232 /nfs/dbraw/zinc/26/42/32/328264232.db2.gz MUERUWVLSIBFCA-UONOGXRCSA-N 1 0 350.419 2.130 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000191725483 328278841 /nfs/dbraw/zinc/27/88/41/328278841.db2.gz PBEBKFKJHKWLMN-PWSUYJOCSA-N 1 0 360.357 2.308 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)n1 ZINC000191839065 328284318 /nfs/dbraw/zinc/28/43/18/328284318.db2.gz MCFJHMICIKXANS-UHFFFAOYSA-N 1 0 351.451 2.299 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192509593 328322921 /nfs/dbraw/zinc/32/29/21/328322921.db2.gz IQZBECASIKRGNF-TXEJJXNPSA-N 1 0 368.231 2.299 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)CC[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000193182659 328361487 /nfs/dbraw/zinc/36/14/87/328361487.db2.gz BLWPYLIYQZYDGH-OCCSQVGLSA-N 1 0 351.403 2.221 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193432212 328375087 /nfs/dbraw/zinc/37/50/87/328375087.db2.gz KEPGVWQOSCMZHA-UHFFFAOYSA-N 1 0 367.814 2.330 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010019741 324366561 /nfs/dbraw/zinc/36/65/61/324366561.db2.gz HPZGDTLPHPSTAM-KRWDZBQOSA-N 1 0 370.409 2.261 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000060774047 324850816 /nfs/dbraw/zinc/85/08/16/324850816.db2.gz CSVYTBTWUPMDAE-UHFFFAOYSA-N 1 0 361.851 2.152 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000237052870 328503000 /nfs/dbraw/zinc/50/30/00/328503000.db2.gz NZUCKLFPRYAJOO-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1OC ZINC000237050655 328503016 /nfs/dbraw/zinc/50/30/16/328503016.db2.gz FFQQOSGZFBRMPZ-AWEZNQCLSA-N 1 0 359.382 2.432 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000076542155 324951126 /nfs/dbraw/zinc/95/11/26/324951126.db2.gz ZYMGLWNCFZQLSA-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035904 325155964 /nfs/dbraw/zinc/15/59/64/325155964.db2.gz OZWVAXWFCUEZHU-UHFFFAOYSA-N 1 0 374.441 2.106 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000081048257 325157099 /nfs/dbraw/zinc/15/70/99/325157099.db2.gz BQPDEEVJLLLSCG-AWEZNQCLSA-N 1 0 361.320 2.231 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237640293 328523376 /nfs/dbraw/zinc/52/33/76/328523376.db2.gz CZUQKQGSIWKEMO-IRXDYDNUSA-N 1 0 371.441 2.314 20 5 FEBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090232125 325356922 /nfs/dbraw/zinc/35/69/22/325356922.db2.gz SMOIDCYCOUSATD-LBPRGKRZSA-N 1 0 353.444 2.202 20 5 FEBDRO O=C(Nc1ccccc1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090511778 325361586 /nfs/dbraw/zinc/36/15/86/325361586.db2.gz NBOWBHKXDAYNFY-UHFFFAOYSA-N 1 0 370.409 2.107 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000090551637 325362606 /nfs/dbraw/zinc/36/26/06/325362606.db2.gz VUAIWEGUZSXFDD-QGZVFWFLSA-N 1 0 356.426 2.357 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000090552058 325363263 /nfs/dbraw/zinc/36/32/63/325363263.db2.gz ZBARNFQFJLXMRZ-GOSISDBHSA-N 1 0 357.410 2.090 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707992 325633668 /nfs/dbraw/zinc/63/36/68/325633668.db2.gz CWKCQEICCJHIEO-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000109252511 325662941 /nfs/dbraw/zinc/66/29/41/325662941.db2.gz NTJWFGVSFQXCCP-UHFFFAOYSA-N 1 0 371.393 2.164 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000109840084 325678812 /nfs/dbraw/zinc/67/88/12/325678812.db2.gz IULCURIAZPPZFX-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252613 326002375 /nfs/dbraw/zinc/00/23/75/326002375.db2.gz TZYRDPOQEQBJHN-UGSOOPFHSA-N 1 0 369.425 2.334 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000119966901 326216876 /nfs/dbraw/zinc/21/68/76/326216876.db2.gz PHVUELXCPPMQHI-VUCTXSBTSA-N 1 0 363.414 2.287 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119979147 326217971 /nfs/dbraw/zinc/21/79/71/326217971.db2.gz VKRCSXVUJWDCIO-AWEZNQCLSA-N 1 0 350.419 2.444 20 5 FEBDRO Cc1ccnc(N2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000120001394 326220688 /nfs/dbraw/zinc/22/06/88/326220688.db2.gz HYOQKENGIYIQCV-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000120407475 326255991 /nfs/dbraw/zinc/25/59/91/326255991.db2.gz HAAWGYYRUDHBJF-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000120669639 326277145 /nfs/dbraw/zinc/27/71/45/326277145.db2.gz WVKVRQKQNUNRNU-GHMZBOCLSA-N 1 0 368.821 2.128 20 5 FEBDRO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120815111 326290288 /nfs/dbraw/zinc/29/02/88/326290288.db2.gz ABJYSTKXIOAJOW-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000122004448 326380321 /nfs/dbraw/zinc/38/03/21/326380321.db2.gz FFYBISXBHLHBKI-ZWKOTPCHSA-N 1 0 361.442 2.021 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000122332495 326392788 /nfs/dbraw/zinc/39/27/88/326392788.db2.gz WIJNTEOLAHEMEI-SJORKVTESA-N 1 0 365.405 2.232 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000122367436 326394308 /nfs/dbraw/zinc/39/43/08/326394308.db2.gz KHYTWMHOSQBGKA-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122450526 326397191 /nfs/dbraw/zinc/39/71/91/326397191.db2.gz WYANPQNHHCETDT-YPMHNXCESA-N 1 0 373.862 2.353 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122473681 326398114 /nfs/dbraw/zinc/39/81/14/326398114.db2.gz PRHJGLOBTPZFEA-AAEUAGOBSA-N 1 0 373.862 2.353 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132347780 326591043 /nfs/dbraw/zinc/59/10/43/326591043.db2.gz GBBGDISCEURWHU-LJQANCHMSA-N 1 0 355.394 2.265 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000133423009 326608544 /nfs/dbraw/zinc/60/85/44/326608544.db2.gz LDUCCFWCNRKHFK-NSHDSACASA-N 1 0 356.220 2.110 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151632549 326687339 /nfs/dbraw/zinc/68/73/39/326687339.db2.gz VOCLJXJXANLJLJ-CQSZACIVSA-N 1 0 367.471 2.264 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000153077109 326723333 /nfs/dbraw/zinc/72/33/33/326723333.db2.gz BBHRUWCFXIHRTQ-UHFFFAOYSA-N 1 0 371.397 2.419 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000153409188 326732217 /nfs/dbraw/zinc/73/22/17/326732217.db2.gz GTJDVHDSXRXCQT-CHWSQXEVSA-N 1 0 370.475 2.130 20 5 FEBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000153759147 326741942 /nfs/dbraw/zinc/74/19/42/326741942.db2.gz VTAXWSZCELEAPM-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000155662539 326798820 /nfs/dbraw/zinc/79/88/20/326798820.db2.gz GRXFTGRTYADRRD-HUUCEWRRSA-N 1 0 360.458 2.362 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158190597 326888278 /nfs/dbraw/zinc/88/82/78/326888278.db2.gz KOUVQLWGVIVPNF-BDJLRTHQSA-N 1 0 353.806 2.228 20 5 FEBDRO CC[C@H]([NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160999253 326984668 /nfs/dbraw/zinc/98/46/68/326984668.db2.gz OXXMHLABPHLTJM-KRWDZBQOSA-N 1 0 370.409 2.051 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)Cc1ccccc1 ZINC000161798682 327009499 /nfs/dbraw/zinc/00/94/99/327009499.db2.gz OKMBURKLCADWIP-HNNXBMFYSA-N 1 0 359.430 2.011 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000161969933 327013593 /nfs/dbraw/zinc/01/35/93/327013593.db2.gz NXWZJBSOXHZSNT-GFCCVEGCSA-N 1 0 351.432 2.203 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000164731497 327073708 /nfs/dbraw/zinc/07/37/08/327073708.db2.gz SAAHFTUPBJPLLI-UHFFFAOYSA-N 1 0 365.821 2.186 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000171207305 327124852 /nfs/dbraw/zinc/12/48/52/327124852.db2.gz CTGDLKXYSLDBSS-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171399416 327136936 /nfs/dbraw/zinc/13/69/36/327136936.db2.gz VUXIQUQAADPSEO-AWEZNQCLSA-N 1 0 357.414 2.275 20 5 FEBDRO CCc1n[nH]c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171399928 327136963 /nfs/dbraw/zinc/13/69/63/327136963.db2.gz BLAPJGCUXCDEGS-BETUJISGSA-N 1 0 351.451 2.368 20 5 FEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000171505024 327142954 /nfs/dbraw/zinc/14/29/54/327142954.db2.gz BCXRSRRHYHNRTO-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000172558361 327208283 /nfs/dbraw/zinc/20/82/83/327208283.db2.gz COXVTXGWCLCYEN-OAHLLOKOSA-N 1 0 350.419 2.085 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172831258 327221192 /nfs/dbraw/zinc/22/11/92/327221192.db2.gz PBKVKQKUJJPEJZ-CYBMUJFWSA-N 1 0 372.425 2.383 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000173243039 327243589 /nfs/dbraw/zinc/24/35/89/327243589.db2.gz GGFXVZRTQNGLRK-WFASDCNBSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1c(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000173292336 327247615 /nfs/dbraw/zinc/24/76/15/327247615.db2.gz GYGLZDGDOICBSP-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343822 327250822 /nfs/dbraw/zinc/25/08/22/327250822.db2.gz LTUXUJNIZPUQBF-RHSMWYFYSA-N 1 0 351.472 2.453 20 5 FEBDRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000173685113 327276775 /nfs/dbraw/zinc/27/67/75/327276775.db2.gz ZMAWSPILFPVGSO-XGUBFFRZSA-N 1 0 361.446 2.264 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173917927 327294158 /nfs/dbraw/zinc/29/41/58/327294158.db2.gz ROGDEJDXPSYHPQ-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000174154713 327309050 /nfs/dbraw/zinc/30/90/50/327309050.db2.gz SCFYHUZLDBUFCR-GFCCVEGCSA-N 1 0 350.375 2.368 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000174701799 327344442 /nfs/dbraw/zinc/34/44/42/327344442.db2.gz YTMSVVKRDWHHDS-IBGZPJMESA-N 1 0 358.442 2.497 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175084165 327372796 /nfs/dbraw/zinc/37/27/96/327372796.db2.gz YNDBPKNHJMZSEI-UONOGXRCSA-N 1 0 355.460 2.308 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175128106 327375725 /nfs/dbraw/zinc/37/57/25/327375725.db2.gz UKZRRJFGJMAAGC-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC000175133632 327376220 /nfs/dbraw/zinc/37/62/20/327376220.db2.gz APFXSPHOGDVFGY-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175395631 327390487 /nfs/dbraw/zinc/39/04/87/327390487.db2.gz AGKRJIKYTSTEDC-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000178001196 327558096 /nfs/dbraw/zinc/55/80/96/327558096.db2.gz KXGPFLDDXIKSFC-LLVKDONJSA-N 1 0 355.441 2.285 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261659915 328809343 /nfs/dbraw/zinc/80/93/43/328809343.db2.gz KOXGOSCRBVOCGG-CQSZACIVSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@H](C[NH3+])C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000262015151 328835143 /nfs/dbraw/zinc/83/51/43/328835143.db2.gz RCOXSYNFTYKINF-WBMJQRKESA-N 1 0 371.441 2.266 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1C ZINC000262213499 328851816 /nfs/dbraw/zinc/85/18/16/328851816.db2.gz LVQFCKZZCZEHSL-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cn3)c2)C1 ZINC000264520332 329032192 /nfs/dbraw/zinc/03/21/92/329032192.db2.gz ZWYUPHKXLGTSOB-MRXNPFEDSA-N 1 0 369.425 2.299 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264604754 329039808 /nfs/dbraw/zinc/03/98/08/329039808.db2.gz OEPOILFRQZIRJQ-LBPRGKRZSA-N 1 0 373.862 2.497 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000264607630 329040276 /nfs/dbraw/zinc/04/02/76/329040276.db2.gz OUMXZSKWYGIYDV-ZDUSSCGKSA-N 1 0 373.862 2.497 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099275 329090983 /nfs/dbraw/zinc/09/09/83/329090983.db2.gz XEBJZEZVQDSSPV-KBPBESRZSA-N 1 0 361.446 2.180 20 5 FEBDRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265115397 329092651 /nfs/dbraw/zinc/09/26/51/329092651.db2.gz IIITXIDFTRXXQM-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO C[NH+](C)Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000265319228 329113740 /nfs/dbraw/zinc/11/37/40/329113740.db2.gz QINQFDCUXFFJEK-UHFFFAOYSA-N 1 0 361.373 2.491 20 5 FEBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265953120 329176099 /nfs/dbraw/zinc/17/60/99/329176099.db2.gz NENTZODIZJNCQV-GFCCVEGCSA-N 1 0 351.403 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000265998463 329180337 /nfs/dbraw/zinc/18/03/37/329180337.db2.gz ORLXNSKAPBYVHQ-GDJRKYJOSA-N 1 0 363.414 2.334 20 5 FEBDRO CC(C)(C)OC(=O)NCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266057519 329185981 /nfs/dbraw/zinc/18/59/81/329185981.db2.gz YJVQJCUSCZKJHJ-UHFFFAOYSA-N 1 0 353.423 2.028 20 5 FEBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000266192710 329199042 /nfs/dbraw/zinc/19/90/42/329199042.db2.gz CBIISPHMWCOCTQ-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO COc1ccc2cc(C[N@H+](C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266454073 329224538 /nfs/dbraw/zinc/22/45/38/329224538.db2.gz OXORMEQHACCWTD-GOSISDBHSA-N 1 0 370.409 2.446 20 5 FEBDRO CCOC(=O)c1ccnc(NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267029734 329284805 /nfs/dbraw/zinc/28/48/05/329284805.db2.gz AVFLEEITUSKWLI-HNNXBMFYSA-N 1 0 354.432 2.016 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000267403023 329323714 /nfs/dbraw/zinc/32/37/14/329323714.db2.gz OUPGGGKEWWHQNZ-ZDUSSCGKSA-N 1 0 366.849 2.100 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178561 329393897 /nfs/dbraw/zinc/39/38/97/329393897.db2.gz KYGINXLRIXOSDC-BBRMVZONSA-N 1 0 358.442 2.408 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000268235449 329399875 /nfs/dbraw/zinc/39/98/75/329399875.db2.gz YWDDSDDYVCOBNK-UHFFFAOYSA-N 1 0 370.837 2.158 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1=O ZINC000270309697 329589804 /nfs/dbraw/zinc/58/98/04/329589804.db2.gz ZWXDFLGIWGEHPK-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1[NH+](C)C ZINC000271584841 329705378 /nfs/dbraw/zinc/70/53/78/329705378.db2.gz FIIKBQDNGXIMPT-HUUCEWRRSA-N 1 0 366.443 2.033 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2[N+](=O)[O-])C1 ZINC000273060868 329833638 /nfs/dbraw/zinc/83/36/38/329833638.db2.gz SQXJDXHYRNLQNO-QLFBSQMISA-N 1 0 360.458 2.416 20 5 FEBDRO Cc1nn(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000273104633 329837345 /nfs/dbraw/zinc/83/73/45/329837345.db2.gz LSYWRYVOFYLUCL-UHFFFAOYSA-N 1 0 357.414 2.012 20 5 FEBDRO C[C@@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCCC1 ZINC000273332001 329856592 /nfs/dbraw/zinc/85/65/92/329856592.db2.gz YUNJBDSVQYLTCP-ZDUSSCGKSA-N 1 0 363.414 2.360 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273809733 329893449 /nfs/dbraw/zinc/89/34/49/329893449.db2.gz CRZAZEVFGTUGJZ-AWEZNQCLSA-N 1 0 369.437 2.485 20 5 FEBDRO Cc1cc(N2CC[C@@H](NC(=O)NC3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000273944400 329904440 /nfs/dbraw/zinc/90/44/40/329904440.db2.gz MCRFGTOKHFABLO-CYBMUJFWSA-N 1 0 355.398 2.492 20 5 FEBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000275135852 330014199 /nfs/dbraw/zinc/01/41/99/330014199.db2.gz SXHQJMIMJVKMNG-LLVKDONJSA-N 1 0 361.320 2.104 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000275175019 330018606 /nfs/dbraw/zinc/01/86/06/330018606.db2.gz BYUOGDKHAYXQHG-WHOFXGATSA-N 1 0 351.403 2.478 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000275341567 330037472 /nfs/dbraw/zinc/03/74/72/330037472.db2.gz VHWTWPKLWTWEOW-GFCCVEGCSA-N 1 0 354.838 2.384 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000275501835 330056378 /nfs/dbraw/zinc/05/63/78/330056378.db2.gz DQJVKPFPYSHGCW-DLBZAZTESA-N 1 0 362.430 2.403 20 5 FEBDRO CS[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1[NH+](C)C ZINC000275662740 330075627 /nfs/dbraw/zinc/07/56/27/330075627.db2.gz WBOGKNWGEXTDQP-CABCVRRESA-N 1 0 370.450 2.040 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+]([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000276274740 330136045 /nfs/dbraw/zinc/13/60/45/330136045.db2.gz DIGBUGDXRWGTDX-GFCCVEGCSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc(F)c(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000284219198 330178187 /nfs/dbraw/zinc/17/81/87/330178187.db2.gz ZRQWZBJLJTTYLH-CYBMUJFWSA-N 1 0 366.393 2.228 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426246965 330271723 /nfs/dbraw/zinc/27/17/23/330271723.db2.gz XITUHFZDYSMCSF-UHFFFAOYSA-N 1 0 357.357 2.324 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000554593904 674325255 /nfs/dbraw/zinc/32/52/55/674325255.db2.gz DRQSZTYXNJDMDK-DOTOQJQBSA-N 1 0 365.455 2.289 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000554720494 674332300 /nfs/dbraw/zinc/33/23/00/674332300.db2.gz YMQUPJWCHFMBCU-HOCLYGCPSA-N 1 0 365.455 2.289 20 5 FEBDRO Cc1c(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000124217066 518185848 /nfs/dbraw/zinc/18/58/48/518185848.db2.gz PWFMFGUTWHVVMS-OAHLLOKOSA-N 1 0 361.442 2.063 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000155973593 545588078 /nfs/dbraw/zinc/58/80/78/545588078.db2.gz VYXWXUMXIVQWKH-GFCCVEGCSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1ccc(NCCCNC(=O)C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000156274125 545613394 /nfs/dbraw/zinc/61/33/94/545613394.db2.gz KQHMSGDCYOJILM-AWEZNQCLSA-N 1 0 366.487 2.259 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055378 545917923 /nfs/dbraw/zinc/91/79/23/545917923.db2.gz VXGGNABISFSZOJ-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1cccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000159154496 545927380 /nfs/dbraw/zinc/92/73/80/545927380.db2.gz GPANRKSEXMJSAQ-QGZVFWFLSA-N 1 0 369.421 2.052 20 5 FEBDRO CC[N@H+](CCc1nccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159182380 545929521 /nfs/dbraw/zinc/92/95/21/545929521.db2.gz OBECQRSJPNIHGM-CQSZACIVSA-N 1 0 351.428 2.356 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159444445 545953954 /nfs/dbraw/zinc/95/39/54/545953954.db2.gz KSVRFLVIDRCWRI-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000478494025 561168346 /nfs/dbraw/zinc/16/83/46/561168346.db2.gz QRBHCAWGXBASDI-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000160341533 546031793 /nfs/dbraw/zinc/03/17/93/546031793.db2.gz ONTICDAZGKZWIZ-QZTJIDSGSA-N 1 0 361.442 2.401 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161077898 546098112 /nfs/dbraw/zinc/09/81/12/546098112.db2.gz YLEWUPRQQCHRSC-OLZOCXBDSA-N 1 0 353.444 2.223 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161306206 546118143 /nfs/dbraw/zinc/11/81/43/546118143.db2.gz YVXCYSWRDQQNNJ-AWEZNQCLSA-N 1 0 355.398 2.139 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161334225 546121089 /nfs/dbraw/zinc/12/10/89/546121089.db2.gz OJPXRUCWNMNRKI-AWEZNQCLSA-N 1 0 355.398 2.139 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176219052 546420987 /nfs/dbraw/zinc/42/09/87/546420987.db2.gz LXWJFTQXYKGLTJ-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO COC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000480281381 561206222 /nfs/dbraw/zinc/20/62/22/561206222.db2.gz FOSVZXIUVFMPQP-UHFFFAOYSA-N 1 0 356.444 2.307 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000176507244 546455251 /nfs/dbraw/zinc/45/52/51/546455251.db2.gz AOYYAALYCAEAEV-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000176668128 546474823 /nfs/dbraw/zinc/47/48/23/546474823.db2.gz OLBLZSUTQBKYOL-NSHDSACASA-N 1 0 373.862 2.319 20 5 FEBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000480486793 561210343 /nfs/dbraw/zinc/21/03/43/561210343.db2.gz DKBGDIAKGXDYTK-AWEZNQCLSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@@H+]1C1CC1 ZINC000177094527 546544105 /nfs/dbraw/zinc/54/41/05/546544105.db2.gz NIALHKMTZBCBHD-GXTWGEPZSA-N 1 0 355.398 2.136 20 5 FEBDRO CC(C)(CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000480784366 561216864 /nfs/dbraw/zinc/21/68/64/561216864.db2.gz CETMRXZNFXHHHX-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000480840575 561217809 /nfs/dbraw/zinc/21/78/09/561217809.db2.gz FWPBYXBLRFGBBQ-UHFFFAOYSA-N 1 0 353.444 2.427 20 5 FEBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000177445256 546620253 /nfs/dbraw/zinc/62/02/53/546620253.db2.gz VZEOXUJRTOPKSL-UHFFFAOYSA-N 1 0 361.851 2.104 20 5 FEBDRO CN(C(=O)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177926206 546709254 /nfs/dbraw/zinc/70/92/54/546709254.db2.gz QISJREBSNCROIP-FCEWJHQRSA-N 1 0 372.469 2.364 20 5 FEBDRO O=C(CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000178573941 546813907 /nfs/dbraw/zinc/81/39/07/546813907.db2.gz RVMPDZYFTPVTCA-SFHVURJKSA-N 1 0 361.442 2.353 20 5 FEBDRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179344709 546936020 /nfs/dbraw/zinc/93/60/20/546936020.db2.gz MHQNYBSQONXWMH-AWEZNQCLSA-N 1 0 351.403 2.051 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180399516 547101688 /nfs/dbraw/zinc/10/16/88/547101688.db2.gz BYWUBVMYEZXQIG-OAHLLOKOSA-N 1 0 372.425 2.183 20 5 FEBDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180450936 547110135 /nfs/dbraw/zinc/11/01/35/547110135.db2.gz LJCPYCQOWFSBOM-CJNGLKHVSA-N 1 0 363.414 2.190 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180536872 547126395 /nfs/dbraw/zinc/12/63/95/547126395.db2.gz AMXXXMPUHPVDQN-UHFFFAOYSA-N 1 0 369.425 2.275 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000180723477 547167367 /nfs/dbraw/zinc/16/73/67/547167367.db2.gz AWRMWZBBEGXOEX-GOSISDBHSA-N 1 0 370.409 2.483 20 5 FEBDRO C[N@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000482881536 561262123 /nfs/dbraw/zinc/26/21/23/561262123.db2.gz NYPPBMYDWJHGRB-CYBMUJFWSA-N 1 0 357.863 2.344 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180922541 547210263 /nfs/dbraw/zinc/21/02/63/547210263.db2.gz OCXZLMFHEOWCFV-JHJVBQTASA-N 1 0 363.414 2.420 20 5 FEBDRO COc1ccc(OCC[N@H+](CCO)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000483217086 561271000 /nfs/dbraw/zinc/27/10/00/561271000.db2.gz MJBZPKYMACNEPB-UHFFFAOYSA-N 1 0 350.371 2.378 20 5 FEBDRO CS(=O)(=O)C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181767247 547377117 /nfs/dbraw/zinc/37/71/17/547377117.db2.gz QOLUUVXHSHSJBF-QGZVFWFLSA-N 1 0 364.423 2.349 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809488 547556184 /nfs/dbraw/zinc/55/61/84/547556184.db2.gz MYOWYHGWOFAUOX-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000183147561 547610057 /nfs/dbraw/zinc/61/00/57/547610057.db2.gz LSSXDMDXXVFDCZ-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN(CC(=O)N2CCCCC2)CC1 ZINC000183244842 547625505 /nfs/dbraw/zinc/62/55/05/547625505.db2.gz NZRLHLINBDAVNX-UHFFFAOYSA-N 1 0 360.458 2.033 20 5 FEBDRO CCc1ccc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184208500 547786764 /nfs/dbraw/zinc/78/67/64/547786764.db2.gz DEKRAJNQWKQTOS-UHFFFAOYSA-N 1 0 362.474 2.303 20 5 FEBDRO C[NH+](C)CC1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000185097148 547932959 /nfs/dbraw/zinc/93/29/59/547932959.db2.gz FCONNDPJHZSFRG-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561257 561322529 /nfs/dbraw/zinc/32/25/29/561322529.db2.gz SMBLNVCHBNJQCA-CMPLNLGQSA-N 1 0 374.363 2.339 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186769572 548189062 /nfs/dbraw/zinc/18/90/62/548189062.db2.gz IZSTVYXBFQVUQJ-HNNXBMFYSA-N 1 0 369.487 2.321 20 5 FEBDRO CCOc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000186800113 548196286 /nfs/dbraw/zinc/19/62/86/548196286.db2.gz PWGFROHYWHCURV-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000186944002 548224802 /nfs/dbraw/zinc/22/48/02/548224802.db2.gz YGHPENXCZXHXHG-BZHVJNSISA-N 1 0 354.204 2.167 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000194814996 548535521 /nfs/dbraw/zinc/53/55/21/548535521.db2.gz JTEPHJCNVIGVES-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO CC1(C)CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000236630760 548770090 /nfs/dbraw/zinc/77/00/90/548770090.db2.gz FGHKGUWASSXQSG-UHFFFAOYSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236881599 548786064 /nfs/dbraw/zinc/78/60/64/548786064.db2.gz TZXFQTNUKFEFCW-CHWSQXEVSA-N 1 0 359.430 2.388 20 5 FEBDRO COc1cc(C(=O)NC2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000237249907 548812306 /nfs/dbraw/zinc/81/23/06/548812306.db2.gz NBXFRDFHTSVGOP-UHFFFAOYSA-N 1 0 359.329 2.205 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nnn1C1CC[NH2+]CC1 ZINC000237502068 548830427 /nfs/dbraw/zinc/83/04/27/548830427.db2.gz VXPZNXOJJFNBPE-LBPRGKRZSA-N 1 0 372.429 2.219 20 5 FEBDRO Cc1ccc(NCCCNC(=O)[C@H]([NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000237668164 548843386 /nfs/dbraw/zinc/84/33/86/548843386.db2.gz PVKLOXCJPOTUMK-MRXNPFEDSA-N 1 0 356.426 2.391 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237816217 548855597 /nfs/dbraw/zinc/85/55/97/548855597.db2.gz VHDOXCYPNGGFSU-UHFFFAOYSA-N 1 0 364.446 2.143 20 5 FEBDRO Cn1cc(C[NH2+]CCCN2CCCC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237912221 548864295 /nfs/dbraw/zinc/86/42/95/548864295.db2.gz BFPHJDOHAIWARG-UHFFFAOYSA-N 1 0 357.414 2.097 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246038033 549039822 /nfs/dbraw/zinc/03/98/22/549039822.db2.gz AZRWXCJAUOXMSN-DZGCQCFKSA-N 1 0 355.460 2.254 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246065313 549044164 /nfs/dbraw/zinc/04/41/64/549044164.db2.gz DPKORCGBQZHCGC-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246430661 549131020 /nfs/dbraw/zinc/13/10/20/549131020.db2.gz AZBMWQGLQFFYJX-HEHGZKQESA-N 1 0 363.414 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246959557 549251407 /nfs/dbraw/zinc/25/14/07/549251407.db2.gz INNSLAKYICPIRK-GOEBONIOSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247094862 549283073 /nfs/dbraw/zinc/28/30/73/549283073.db2.gz PRHJGLOBTPZFEA-WCQYABFASA-N 1 0 373.862 2.353 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000247649160 549369212 /nfs/dbraw/zinc/36/92/12/549369212.db2.gz PCIOPJQWRDBUGC-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO CO[C@]1(C)C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248461728 549445260 /nfs/dbraw/zinc/44/52/60/549445260.db2.gz PJQJEJLIHGQGQX-RPVQJOFSSA-N 1 0 352.431 2.470 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000248936204 549529207 /nfs/dbraw/zinc/52/92/07/549529207.db2.gz YIVKLQGCJJASKI-XJKSGUPXSA-N 1 0 354.410 2.427 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000249340689 549582850 /nfs/dbraw/zinc/58/28/50/549582850.db2.gz DGXUFSHFSXETKN-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CC[NH2+]C[C@@H]3c3cccnc3)n2)c1 ZINC000261783385 549754649 /nfs/dbraw/zinc/75/46/49/549754649.db2.gz PQLKLWKIGXTUHH-MRXNPFEDSA-N 1 0 366.381 2.186 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000261825268 549759379 /nfs/dbraw/zinc/75/93/79/549759379.db2.gz XBFQBQGZXUBPKV-GHMZBOCLSA-N 1 0 361.851 2.305 20 5 FEBDRO Cn1cnnc1Sc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000262048650 549783886 /nfs/dbraw/zinc/78/38/86/549783886.db2.gz ZHYUZELPJABIRO-UHFFFAOYSA-N 1 0 373.398 2.262 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000262392441 549816568 /nfs/dbraw/zinc/81/65/68/549816568.db2.gz OJVJNOHDMFEQRM-WMLDXEAASA-N 1 0 358.373 2.192 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000269049941 550149565 /nfs/dbraw/zinc/14/95/65/550149565.db2.gz XOFWPPBKBJETKT-NVXWUHKLSA-N 1 0 356.426 2.492 20 5 FEBDRO CCOc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493550727 561456798 /nfs/dbraw/zinc/45/67/98/561456798.db2.gz RMRUUUBDIUBTBU-AWEZNQCLSA-N 1 0 351.447 2.271 20 5 FEBDRO CS[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270637721 550291806 /nfs/dbraw/zinc/29/18/06/550291806.db2.gz IFRPFJXFYYHMTH-CVEARBPZSA-N 1 0 366.487 2.209 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797174 550308058 /nfs/dbraw/zinc/30/80/58/550308058.db2.gz FJJFPMKIRFGPPQ-IEBWSBKVSA-N 1 0 369.421 2.208 20 5 FEBDRO CSc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000270970226 550326989 /nfs/dbraw/zinc/32/69/89/550326989.db2.gz BRHFYHUSYXHTCT-OCCSQVGLSA-N 1 0 355.485 2.434 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324368 550437723 /nfs/dbraw/zinc/43/77/23/550437723.db2.gz MIJWYXFLTDCPNT-RHSMWYFYSA-N 1 0 371.441 2.127 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324366 550437871 /nfs/dbraw/zinc/43/78/71/550437871.db2.gz MIJWYXFLTDCPNT-PBHICJAKSA-N 1 0 371.441 2.127 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272698256 550465448 /nfs/dbraw/zinc/46/54/48/550465448.db2.gz YEYNZGRDEPRWBH-KDOFPFPSSA-N 1 0 358.442 2.361 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000273064420 550483455 /nfs/dbraw/zinc/48/34/55/550483455.db2.gz NEFIPAZDCJKTMB-ROUUACIJSA-N 1 0 363.414 2.479 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000273406915 550497318 /nfs/dbraw/zinc/49/73/18/550497318.db2.gz HTSQRWMQVZMROD-UHFFFAOYSA-N 1 0 359.423 2.086 20 5 FEBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)N1 ZINC000273795759 550511556 /nfs/dbraw/zinc/51/15/56/550511556.db2.gz WAYGHPGTRYHBSO-UHFFFAOYSA-N 1 0 370.365 2.029 20 5 FEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000276688660 550585326 /nfs/dbraw/zinc/58/53/26/550585326.db2.gz JUVVHVBOFBIZSN-OAHLLOKOSA-N 1 0 364.373 2.444 20 5 FEBDRO COC(=O)c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836084 550601454 /nfs/dbraw/zinc/60/14/54/550601454.db2.gz VTPZDADCTXEEQQ-DOMZBBRYSA-N 1 0 360.414 2.230 20 5 FEBDRO COc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000276880546 550606769 /nfs/dbraw/zinc/60/67/69/550606769.db2.gz PENDMHGDLOQNPU-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000276942327 550613634 /nfs/dbraw/zinc/61/36/34/550613634.db2.gz BLEUYSCVDWQPKD-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277114571 550633654 /nfs/dbraw/zinc/63/36/54/550633654.db2.gz MTRZKSXHUBEJDI-LLVKDONJSA-N 1 0 368.821 2.129 20 5 FEBDRO CC[N@H+](CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C1CC1 ZINC000277200295 550642751 /nfs/dbraw/zinc/64/27/51/550642751.db2.gz LNLUOTQXVALVRS-UHFFFAOYSA-N 1 0 364.402 2.296 20 5 FEBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000277567315 550685537 /nfs/dbraw/zinc/68/55/37/550685537.db2.gz NREQPOFVJQVFKS-ZDUSSCGKSA-N 1 0 365.430 2.143 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277618885 550692533 /nfs/dbraw/zinc/69/25/33/550692533.db2.gz WIDUICKPUPGFGO-HNNXBMFYSA-N 1 0 362.430 2.420 20 5 FEBDRO Cc1cc([N+](=O)[O-])cn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1=O ZINC000278518634 550794496 /nfs/dbraw/zinc/79/44/96/550794496.db2.gz GCIWXYXJBOLCOW-SFHVURJKSA-N 1 0 357.410 2.356 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000278572154 550800281 /nfs/dbraw/zinc/80/02/81/550800281.db2.gz NRIQKUJPFPTCGI-KGLIPLIRSA-N 1 0 350.419 2.130 20 5 FEBDRO CCn1nccc1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000278934648 550837868 /nfs/dbraw/zinc/83/78/68/550837868.db2.gz TUODAOUXJAJNCK-MRXNPFEDSA-N 1 0 374.441 2.431 20 5 FEBDRO CN(C(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225220 550866953 /nfs/dbraw/zinc/86/69/53/550866953.db2.gz IOFJLJAKPRNADY-CGTJXYLNSA-N 1 0 359.426 2.495 20 5 FEBDRO CC(C)CCSc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000495375370 561487317 /nfs/dbraw/zinc/48/73/17/561487317.db2.gz KEHQFIPMDKCJRM-ZFWWWQNUSA-N 1 0 367.471 2.043 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000279844703 550935225 /nfs/dbraw/zinc/93/52/25/550935225.db2.gz AULNHBGGTJOLLP-QGZVFWFLSA-N 1 0 351.403 2.169 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280153895 550965632 /nfs/dbraw/zinc/96/56/32/550965632.db2.gz RRQMFBVJHXXGEC-KRWDZBQOSA-N 1 0 351.403 2.169 20 5 FEBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280604839 551012652 /nfs/dbraw/zinc/01/26/52/551012652.db2.gz VKAHKCXBVXROAV-SFHVURJKSA-N 1 0 363.414 2.193 20 5 FEBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000280676983 551020484 /nfs/dbraw/zinc/02/04/84/551020484.db2.gz MSOZUSKATXEXOO-YPMHNXCESA-N 1 0 352.387 2.433 20 5 FEBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280717326 551024699 /nfs/dbraw/zinc/02/46/99/551024699.db2.gz JXKYAXSHOITCNZ-UHIISALHSA-N 1 0 360.370 2.447 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000281213962 551074503 /nfs/dbraw/zinc/07/45/03/551074503.db2.gz QPTYTKJYVMOMQR-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000281347304 551087009 /nfs/dbraw/zinc/08/70/09/551087009.db2.gz WWWZVYIVJAOYQB-CYBMUJFWSA-N 1 0 371.235 2.109 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000281781730 551142816 /nfs/dbraw/zinc/14/28/16/551142816.db2.gz ROFXFTKZWMOKPX-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497518375 561503076 /nfs/dbraw/zinc/50/30/76/561503076.db2.gz XINZLQMWLDFUAM-ZDUSSCGKSA-N 1 0 355.460 2.166 20 5 FEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000282496156 551237147 /nfs/dbraw/zinc/23/71/47/551237147.db2.gz OJIBDZCKMDQAHU-MRXNPFEDSA-N 1 0 356.430 2.455 20 5 FEBDRO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C1CC[NH+](C2CC2)CC1 ZINC000282674377 551258348 /nfs/dbraw/zinc/25/83/48/551258348.db2.gz ASKWBJMZOBEPON-UHFFFAOYSA-N 1 0 356.386 2.193 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498227589 561519342 /nfs/dbraw/zinc/51/93/42/561519342.db2.gz LBQWSPQGOPSQMG-QWHCGFSZSA-N 1 0 350.419 2.228 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285330853 551739527 /nfs/dbraw/zinc/73/95/27/551739527.db2.gz SEVCTGAXZSJFPN-IRXDYDNUSA-N 1 0 361.442 2.437 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285518904 551768745 /nfs/dbraw/zinc/76/87/45/551768745.db2.gz OCFJWHWJXXHYJN-HKFHSAMXSA-N 1 0 367.471 2.306 20 5 FEBDRO CC[NH+]1CCN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286151386 551854775 /nfs/dbraw/zinc/85/47/75/551854775.db2.gz ODERWNIIELVFQB-UHFFFAOYSA-N 1 0 350.448 2.039 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286174669 551857591 /nfs/dbraw/zinc/85/75/91/551857591.db2.gz ACKKJJCZHOZNRB-OLZOCXBDSA-N 1 0 353.444 2.061 20 5 FEBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286573157 551901494 /nfs/dbraw/zinc/90/14/94/551901494.db2.gz URAAAEXLBLGCPY-CQSZACIVSA-N 1 0 365.430 2.363 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787303 551925925 /nfs/dbraw/zinc/92/59/25/551925925.db2.gz RVSGOWALDSBYSW-ZBFHGGJFSA-N 1 0 367.471 2.026 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286878428 551935841 /nfs/dbraw/zinc/93/58/41/551935841.db2.gz ZDQWZEZACGBUGT-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287203627 551975805 /nfs/dbraw/zinc/97/58/05/551975805.db2.gz OWBVMGPSCJCXHW-CJNGLKHVSA-N 1 0 362.430 2.372 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287439609 552004330 /nfs/dbraw/zinc/00/43/30/552004330.db2.gz QAAOWADFQNKPSW-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500096291 561565838 /nfs/dbraw/zinc/56/58/38/561565838.db2.gz IHAGWESNHXDTCQ-INIZCTEOSA-N 1 0 362.430 2.256 20 5 FEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289364511 552307978 /nfs/dbraw/zinc/30/79/78/552307978.db2.gz ZNEHQFDDSXZVQX-LJQANCHMSA-N 1 0 358.442 2.411 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1[C@H]1CCCO1 ZINC000289377688 552310821 /nfs/dbraw/zinc/31/08/21/552310821.db2.gz BICRQUZIQALIJG-USXIJHARSA-N 1 0 350.415 2.224 20 5 FEBDRO C[C@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289411566 552316882 /nfs/dbraw/zinc/31/68/82/552316882.db2.gz BMUKPYJBJUFBIX-MRVPVSSYSA-N 1 0 350.156 2.060 20 5 FEBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000500495527 561575139 /nfs/dbraw/zinc/57/51/39/561575139.db2.gz UYIOMRKVGMJFKF-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289679417 552360928 /nfs/dbraw/zinc/36/09/28/552360928.db2.gz JMROATZMBIDVLZ-LSDHHAIUSA-N 1 0 358.442 2.267 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000289852661 552389254 /nfs/dbraw/zinc/38/92/54/552389254.db2.gz QMYNWXFRWRCDGN-ZDUSSCGKSA-N 1 0 364.446 2.466 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500868770 561584752 /nfs/dbraw/zinc/58/47/52/561584752.db2.gz ZEHHXOAHBLUVRU-CJNGLKHVSA-N 1 0 357.414 2.051 20 5 FEBDRO NC(=O)c1ccnc(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000290570001 552499869 /nfs/dbraw/zinc/49/98/69/552499869.db2.gz UBUKQMRDNIIAMV-UHFFFAOYSA-N 1 0 355.398 2.297 20 5 FEBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290914116 552560669 /nfs/dbraw/zinc/56/06/69/552560669.db2.gz HHHOZPVECFCWIY-UKRRQHHQSA-N 1 0 369.425 2.411 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291775125 552660411 /nfs/dbraw/zinc/66/04/11/552660411.db2.gz LZENOHSQJSHWCI-CQSZACIVSA-N 1 0 359.386 2.076 20 5 FEBDRO O=C(CC[N@@H+]1CCC(F)(F)[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291847145 552667720 /nfs/dbraw/zinc/66/77/20/552667720.db2.gz OWXVIZDJMHTOAI-JTQLQIEISA-N 1 0 361.320 2.012 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292097328 552693655 /nfs/dbraw/zinc/69/36/55/552693655.db2.gz TZUOIGOOILZVCG-GFCCVEGCSA-N 1 0 371.434 2.229 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292171203 552701062 /nfs/dbraw/zinc/70/10/62/552701062.db2.gz PSAPJTMDYFXGQH-WBVHZDCISA-N 1 0 350.415 2.083 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000292843519 552764018 /nfs/dbraw/zinc/76/40/18/552764018.db2.gz CKBQORMWHQBIOX-MWLCHTKSSA-N 1 0 371.340 2.029 20 5 FEBDRO O=C(CC[NH+]1CCC2(CC1)OCCCO2)Nc1cc([N+](=O)[O-])ccc1F ZINC000292988778 552778045 /nfs/dbraw/zinc/77/80/45/552778045.db2.gz LYJTVZGXGOQSLH-UHFFFAOYSA-N 1 0 367.377 2.292 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293552426 552834643 /nfs/dbraw/zinc/83/46/43/552834643.db2.gz WSXAHFRWHRESQZ-BXKDBHETSA-N 1 0 354.204 2.181 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293771579 552855144 /nfs/dbraw/zinc/85/51/44/552855144.db2.gz AVBRPZRVTQOZMJ-LSDHHAIUSA-N 1 0 365.455 2.252 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000293881508 552864731 /nfs/dbraw/zinc/86/47/31/552864731.db2.gz FVJJCUHXVNEGCF-IBGZPJMESA-N 1 0 356.426 2.494 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294032018 552876738 /nfs/dbraw/zinc/87/67/38/552876738.db2.gz KCNMQZUWBUUCDU-LBPRGKRZSA-N 1 0 363.443 2.472 20 5 FEBDRO CSc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294428840 552905558 /nfs/dbraw/zinc/90/55/58/552905558.db2.gz NRLGZWHECCXASB-CYBMUJFWSA-N 1 0 363.443 2.083 20 5 FEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294634175 552922281 /nfs/dbraw/zinc/92/22/81/552922281.db2.gz QBZVDVCZZQICQU-UHFFFAOYSA-N 1 0 351.447 2.469 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294860166 552939351 /nfs/dbraw/zinc/93/93/51/552939351.db2.gz SXLQZNOUSSGZQZ-CABZTGNLSA-N 1 0 360.336 2.381 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000294953665 552947153 /nfs/dbraw/zinc/94/71/53/552947153.db2.gz DHRVZSOFBFIHLN-DYVFJYSZSA-N 1 0 364.446 2.404 20 5 FEBDRO CCOc1cc(C[N@@H+]2CC[C@](COC)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000295060074 552955250 /nfs/dbraw/zinc/95/52/50/552955250.db2.gz BSROLVZQLQZIHR-KRWDZBQOSA-N 1 0 352.387 2.005 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000502037026 561610546 /nfs/dbraw/zinc/61/05/46/561610546.db2.gz OADLKAHUZVRWSG-OAHLLOKOSA-N 1 0 357.414 2.204 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000502116536 561612356 /nfs/dbraw/zinc/61/23/56/561612356.db2.gz CNVGTDCPXLMTKQ-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295898932 553073161 /nfs/dbraw/zinc/07/31/61/553073161.db2.gz CYUUVVDWYUIEHY-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296049334 553095871 /nfs/dbraw/zinc/09/58/71/553095871.db2.gz NOHMYDHUEKGPNE-CQSZACIVSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)oc1C ZINC000502467358 561619048 /nfs/dbraw/zinc/61/90/48/561619048.db2.gz ZTXUVNMHHUXNIF-GFCCVEGCSA-N 1 0 367.427 2.434 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC ZINC000296294552 553136368 /nfs/dbraw/zinc/13/63/68/553136368.db2.gz JVDLFSARIAAWQD-LBPRGKRZSA-N 1 0 366.418 2.465 20 5 FEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296855450 553221121 /nfs/dbraw/zinc/22/11/21/553221121.db2.gz TYZXNFCRMFRVQO-QWHCGFSZSA-N 1 0 353.419 2.473 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000297074066 553249822 /nfs/dbraw/zinc/24/98/22/553249822.db2.gz UIVAEEAQAKKTME-UHFFFAOYSA-N 1 0 368.409 2.171 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503527392 561643875 /nfs/dbraw/zinc/64/38/75/561643875.db2.gz YGWLTVPAQDQRJG-MSOLQXFVSA-N 1 0 357.410 2.484 20 5 FEBDRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298822784 553477598 /nfs/dbraw/zinc/47/75/98/553477598.db2.gz ZYSDNZJJMGBBFV-UHFFFAOYSA-N 1 0 352.822 2.214 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000298955919 553494950 /nfs/dbraw/zinc/49/49/50/553494950.db2.gz DLGFSLCOBIXAJO-HOTGVXAUSA-N 1 0 361.398 2.128 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000299193251 553528316 /nfs/dbraw/zinc/52/83/16/553528316.db2.gz DMBMQXFYOVAAOD-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000299300425 553544532 /nfs/dbraw/zinc/54/45/32/553544532.db2.gz NRMSEKZJHJGVOH-KRWDZBQOSA-N 1 0 371.441 2.271 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000299302838 553544992 /nfs/dbraw/zinc/54/49/92/553544992.db2.gz TYWKSBLLCAVWFR-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000299393737 553557395 /nfs/dbraw/zinc/55/73/95/553557395.db2.gz KILJUAPTDQOYCI-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427844 553561665 /nfs/dbraw/zinc/56/16/65/553561665.db2.gz XJPSPZFMWKIITI-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000299446050 553564170 /nfs/dbraw/zinc/56/41/70/553564170.db2.gz YQRAISKGNCPDOZ-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299663874 553599373 /nfs/dbraw/zinc/59/93/73/553599373.db2.gz HYDUDOHUAWNVQB-UHFFFAOYSA-N 1 0 357.414 2.097 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000299731441 553609097 /nfs/dbraw/zinc/60/90/97/553609097.db2.gz XFKJFHFPJNHRAV-HNNXBMFYSA-N 1 0 353.419 2.271 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000301068566 553618892 /nfs/dbraw/zinc/61/88/92/553618892.db2.gz FKOZXNGYUQLRSO-UHFFFAOYSA-N 1 0 360.439 2.486 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301085996 553620649 /nfs/dbraw/zinc/62/06/49/553620649.db2.gz JTJFNLWQYXPQDI-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000301500484 553656233 /nfs/dbraw/zinc/65/62/33/553656233.db2.gz DMKWXZIDEQCYSD-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO Cn1c(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)nc2ccccc21 ZINC000301545574 553659533 /nfs/dbraw/zinc/65/95/33/553659533.db2.gz PFWMRBZOFOYRHK-UHFFFAOYSA-N 1 0 354.370 2.020 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301905044 553690515 /nfs/dbraw/zinc/69/05/15/553690515.db2.gz YLNLKEBOPKMUQG-UHFFFAOYSA-N 1 0 364.203 2.474 20 5 FEBDRO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@@H+]2C2CC2)c1 ZINC000302031210 553699239 /nfs/dbraw/zinc/69/92/39/553699239.db2.gz IKWOTLZGEOGKOG-GDBMZVCRSA-N 1 0 370.413 2.366 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302111189 553704941 /nfs/dbraw/zinc/70/49/41/553704941.db2.gz ULLHNHRJFCRJCT-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000302204319 553710484 /nfs/dbraw/zinc/71/04/84/553710484.db2.gz CJZRNIGAJYYSTQ-IRXDYDNUSA-N 1 0 357.414 2.476 20 5 FEBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437111 553716917 /nfs/dbraw/zinc/71/69/17/553716917.db2.gz MMABKGSWFIOKBT-HUUCEWRRSA-N 1 0 371.441 2.252 20 5 FEBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000505518464 561672862 /nfs/dbraw/zinc/67/28/62/561672862.db2.gz DKBDQLFCRGJOBG-MRXNPFEDSA-N 1 0 360.414 2.362 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000505608298 561675177 /nfs/dbraw/zinc/67/51/77/561675177.db2.gz MWKSWWMINPHGEA-LJQANCHMSA-N 1 0 369.425 2.338 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000322427807 553768325 /nfs/dbraw/zinc/76/83/25/553768325.db2.gz NSFQAVOASCPJOJ-MFKMUULPSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324215862 553771628 /nfs/dbraw/zinc/77/16/28/553771628.db2.gz QMIYRAVMFJXDBF-KBPBESRZSA-N 1 0 353.444 2.056 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000326555870 553781777 /nfs/dbraw/zinc/78/17/77/553781777.db2.gz PZFNANFOQRQJCV-UHFFFAOYSA-N 1 0 361.439 2.476 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000327902174 553791895 /nfs/dbraw/zinc/79/18/95/553791895.db2.gz IGNJQZWVWGLYKI-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000507458240 561730042 /nfs/dbraw/zinc/73/00/42/561730042.db2.gz DEWXDUZFIHKRRJ-SJORKVTESA-N 1 0 367.471 2.432 20 5 FEBDRO C[C@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507875441 561744116 /nfs/dbraw/zinc/74/41/16/561744116.db2.gz PXPIWGHWCQZYLA-UONOGXRCSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1nn(CCC(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000330433277 554121228 /nfs/dbraw/zinc/12/12/28/554121228.db2.gz KTMFBMDZWWERQN-UHFFFAOYSA-N 1 0 351.451 2.129 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000330763543 554168357 /nfs/dbraw/zinc/16/83/57/554168357.db2.gz OXQOQOXFALXOPB-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372217 561760523 /nfs/dbraw/zinc/76/05/23/561760523.db2.gz XFDVYBIQNXRUMJ-HIFRSBDPSA-N 1 0 366.437 2.205 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000508810560 561773449 /nfs/dbraw/zinc/77/34/49/561773449.db2.gz MHJHTCIOQOGHOV-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000331398734 554257428 /nfs/dbraw/zinc/25/74/28/554257428.db2.gz OPGJSDGZPBTQIH-OAHLLOKOSA-N 1 0 363.462 2.465 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000331855521 554332155 /nfs/dbraw/zinc/33/21/55/554332155.db2.gz DPMSHPIURBFISL-GDBMZVCRSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331992554 554359692 /nfs/dbraw/zinc/35/96/92/554359692.db2.gz WMOJLOLLGPQEJZ-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1C ZINC000332083473 554376240 /nfs/dbraw/zinc/37/62/40/554376240.db2.gz PAXOLRUFMAPGBW-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C ZINC000332088416 554378031 /nfs/dbraw/zinc/37/80/31/554378031.db2.gz UAEISEABJQPPSR-ZBFHGGJFSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000332096416 554379416 /nfs/dbraw/zinc/37/94/16/554379416.db2.gz XKHGHQBUMHMJEH-CZUORRHYSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332216580 554402695 /nfs/dbraw/zinc/40/26/95/554402695.db2.gz ISWTWRXNYLAJJV-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1nccn1C)C1CC1 ZINC000510461769 561835252 /nfs/dbraw/zinc/83/52/52/561835252.db2.gz QPZJDVLQIIZJDD-OAHLLOKOSA-N 1 0 364.427 2.320 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000332631220 554487274 /nfs/dbraw/zinc/48/72/74/554487274.db2.gz UZTQIRGNXPOBMC-ZBEGNZNMSA-N 1 0 353.369 2.358 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000510550337 561838764 /nfs/dbraw/zinc/83/87/64/561838764.db2.gz FYODNKGMKYHBSN-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000511020418 561854120 /nfs/dbraw/zinc/85/41/20/561854120.db2.gz VIZKSYCJRLZNTK-DAXOMENPSA-N 1 0 360.414 2.055 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000360468787 554876045 /nfs/dbraw/zinc/87/60/45/554876045.db2.gz XHKFZPXRHXSIDO-ZDUSSCGKSA-N 1 0 354.401 2.337 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1cccs1 ZINC000361390544 554920425 /nfs/dbraw/zinc/92/04/25/554920425.db2.gz GVEOTMPGYCIAAA-QMTHXVAHSA-N 1 0 362.411 2.180 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831569 554936972 /nfs/dbraw/zinc/93/69/72/554936972.db2.gz VAXSTZVEDMQZBR-CZUORRHYSA-N 1 0 369.425 2.411 20 5 FEBDRO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000361902227 554937435 /nfs/dbraw/zinc/93/74/35/554937435.db2.gz ZNRBTZRLYWQKGB-MRXNPFEDSA-N 1 0 354.410 2.284 20 5 FEBDRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361955693 554940389 /nfs/dbraw/zinc/94/03/89/554940389.db2.gz VFZHFTULJAYNSW-MRXNPFEDSA-N 1 0 359.426 2.232 20 5 FEBDRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361955692 554940437 /nfs/dbraw/zinc/94/04/37/554940437.db2.gz VFZHFTULJAYNSW-INIZCTEOSA-N 1 0 359.426 2.232 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363069047 555023356 /nfs/dbraw/zinc/02/33/56/555023356.db2.gz XVUHPOSHXHZIQI-QGZVFWFLSA-N 1 0 369.425 2.481 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363174613 555046155 /nfs/dbraw/zinc/04/61/55/555046155.db2.gz CBQQIZJMMBTXOC-KRWDZBQOSA-N 1 0 369.425 2.481 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000363196269 555050912 /nfs/dbraw/zinc/05/09/12/555050912.db2.gz NVVYBOKOAMOEJI-HNNXBMFYSA-N 1 0 374.441 2.447 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260002 555066093 /nfs/dbraw/zinc/06/60/93/555066093.db2.gz SAWRDXWVJIUURI-BJJXKVORSA-N 1 0 363.389 2.055 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363558484 555136399 /nfs/dbraw/zinc/13/63/99/555136399.db2.gz SAKFQFUUDMHFTR-IMJJTQAJSA-N 1 0 365.455 2.008 20 5 FEBDRO C[C@@H]1[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC12CCOCC2 ZINC000363798782 555188486 /nfs/dbraw/zinc/18/84/86/555188486.db2.gz XXFAKZMEEWDXNE-AWEZNQCLSA-N 1 0 359.426 2.375 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873339 555204032 /nfs/dbraw/zinc/20/40/32/555204032.db2.gz CIMISDWFAHGHTE-CXAGYDPISA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000364071435 555244566 /nfs/dbraw/zinc/24/45/66/555244566.db2.gz FOHGGCIVDCNHJK-RDJZCZTQSA-N 1 0 362.430 2.275 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c1 ZINC000364195073 555267479 /nfs/dbraw/zinc/26/74/79/555267479.db2.gz BDKVFEPCLSHYFL-JKSUJKDBSA-N 1 0 359.357 2.309 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccccc3N3CCOCC3)C2)c1 ZINC000364328628 555292527 /nfs/dbraw/zinc/29/25/27/555292527.db2.gz OFHOJAWKHKAXCO-KRWDZBQOSA-N 1 0 371.441 2.465 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335441 555293571 /nfs/dbraw/zinc/29/35/71/555293571.db2.gz IZOYVHLDZYWNKK-HOCLYGCPSA-N 1 0 361.358 2.070 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556372 555337458 /nfs/dbraw/zinc/33/74/58/555337458.db2.gz JBMBAKZYUVJMFT-OIISXLGYSA-N 1 0 361.442 2.143 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653935 555363829 /nfs/dbraw/zinc/36/38/29/555363829.db2.gz WFPXIWUJQIKYEQ-RISCZKNCSA-N 1 0 363.443 2.121 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000364695122 555376938 /nfs/dbraw/zinc/37/69/38/555376938.db2.gz LWRXFYMEKOKXPN-HNNXBMFYSA-N 1 0 353.382 2.053 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755081 555394237 /nfs/dbraw/zinc/39/42/37/555394237.db2.gz AJJYFYPSHBHWSJ-UKPHBRMFSA-N 1 0 364.402 2.187 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000365017427 555465755 /nfs/dbraw/zinc/46/57/55/555465755.db2.gz NGLOFVHPXXVMES-GJZGRUSLSA-N 1 0 358.398 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000365089505 555482748 /nfs/dbraw/zinc/48/27/48/555482748.db2.gz QRDMDZMRKCHTGL-CQSZACIVSA-N 1 0 350.419 2.132 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365423393 555571403 /nfs/dbraw/zinc/57/14/03/555571403.db2.gz ODQBMPWHIKOMLR-LLVKDONJSA-N 1 0 366.374 2.210 20 5 FEBDRO O=C1[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccccc1 ZINC000365505767 555593380 /nfs/dbraw/zinc/59/33/80/555593380.db2.gz CRXORGWZJKTQRK-INIZCTEOSA-N 1 0 355.398 2.234 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])c1 ZINC000365808126 555671861 /nfs/dbraw/zinc/67/18/61/555671861.db2.gz YMKILWSCCFWCEF-CYBMUJFWSA-N 1 0 358.358 2.052 20 5 FEBDRO O=C(c1ccco1)N1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000365814941 555673678 /nfs/dbraw/zinc/67/36/78/555673678.db2.gz JSBPAWAONCMCFE-UHFFFAOYSA-N 1 0 369.381 2.459 20 5 FEBDRO CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820613 555675310 /nfs/dbraw/zinc/67/53/10/555675310.db2.gz NZCLPFHSCYUARG-AWEZNQCLSA-N 1 0 351.451 2.321 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]2)CC1 ZINC000365854455 555683536 /nfs/dbraw/zinc/68/35/36/555683536.db2.gz ZNACGFXJGKHALS-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FEBDRO CN(C(=O)c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000365970848 555714238 /nfs/dbraw/zinc/71/42/38/555714238.db2.gz KAAIVHFHFKVZOR-UHFFFAOYSA-N 1 0 365.405 2.449 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000366456545 555849143 /nfs/dbraw/zinc/84/91/43/555849143.db2.gz AFQVIWCXZWFEDQ-CZUORRHYSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657699 555900849 /nfs/dbraw/zinc/90/08/49/555900849.db2.gz SEJQKAXKGUHJBY-SJLPKXTDSA-N 1 0 361.442 2.353 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000366923274 555971618 /nfs/dbraw/zinc/97/16/18/555971618.db2.gz RWDIDIKZQGJXBU-JJRVBVJISA-N 1 0 350.415 2.366 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000514789433 561979818 /nfs/dbraw/zinc/97/98/18/561979818.db2.gz JBZJPULKDILOMP-GJZGRUSLSA-N 1 0 369.425 2.242 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000367661605 556107716 /nfs/dbraw/zinc/10/77/16/556107716.db2.gz RSOFRSAANPWMPF-MRXNPFEDSA-N 1 0 362.474 2.063 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766998 556133736 /nfs/dbraw/zinc/13/37/36/556133736.db2.gz HPYZUWGJEATBRJ-OAHLLOKOSA-N 1 0 350.438 2.193 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367924797 556174054 /nfs/dbraw/zinc/17/40/54/556174054.db2.gz BXXWYBGDRGJHKC-RDTXWAMCSA-N 1 0 360.458 2.260 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000368200516 556246839 /nfs/dbraw/zinc/24/68/39/556246839.db2.gz PMQAJBOEOJXTEX-UHFFFAOYSA-N 1 0 355.398 2.088 20 5 FEBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000368364035 556288405 /nfs/dbraw/zinc/28/84/05/556288405.db2.gz VBAXHZBUMRNSCP-VQFNDLOPSA-N 1 0 369.377 2.343 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000368417941 556302571 /nfs/dbraw/zinc/30/25/71/556302571.db2.gz VGRJZHLTBKNOAK-SJORKVTESA-N 1 0 359.357 2.066 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000368612458 556362000 /nfs/dbraw/zinc/36/20/00/556362000.db2.gz KPJCJUVBJPDDIH-IAGOWNOFSA-N 1 0 364.442 2.473 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368826913 556424137 /nfs/dbraw/zinc/42/41/37/556424137.db2.gz XOZCIQYBCUOEIX-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976429 556465694 /nfs/dbraw/zinc/46/56/94/556465694.db2.gz WGKZQPTZRZXLQD-YEWWUXTCSA-N 1 0 370.409 2.378 20 5 FEBDRO Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369310899 556571152 /nfs/dbraw/zinc/57/11/52/556571152.db2.gz SZJIWAUYGYTTDQ-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO Cc1cccc(OC[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369693147 556670093 /nfs/dbraw/zinc/67/00/93/556670093.db2.gz QEOGAUVDZILCEK-MRXNPFEDSA-N 1 0 360.414 2.177 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369721075 556677567 /nfs/dbraw/zinc/67/75/67/556677567.db2.gz LICOUCWDSPQDTJ-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@@H+]2C)cn1 ZINC000369818888 556703718 /nfs/dbraw/zinc/70/37/18/556703718.db2.gz KBVKDVCICGGTGU-ABAIWWIYSA-N 1 0 363.443 2.203 20 5 FEBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000369939330 556735877 /nfs/dbraw/zinc/73/58/77/556735877.db2.gz ZHKZTRZMMURFFY-DLBZAZTESA-N 1 0 361.442 2.388 20 5 FEBDRO CCc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370000192 556753934 /nfs/dbraw/zinc/75/39/34/556753934.db2.gz XNODVKBIFYTTDS-MRXNPFEDSA-N 1 0 374.485 2.257 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370315058 556837774 /nfs/dbraw/zinc/83/77/74/556837774.db2.gz IPSRRMKBKZIHLE-UHFFFAOYSA-N 1 0 361.490 2.906 20 5 FEBDRO Cc1cc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352412 556847657 /nfs/dbraw/zinc/84/76/57/556847657.db2.gz YSPKKLVLEFDESM-LSDHHAIUSA-N 1 0 360.414 2.246 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000516895791 562063236 /nfs/dbraw/zinc/06/32/36/562063236.db2.gz OJNDUIBAGBYRNB-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4cccc([N+](=O)[O-])c4C)C[C@@H]3C2)no1 ZINC000370744679 556955783 /nfs/dbraw/zinc/95/57/83/556955783.db2.gz IGPNZMBZZHUOPA-HZPDHXFCSA-N 1 0 371.441 2.412 20 5 FEBDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818523 556977746 /nfs/dbraw/zinc/97/77/46/556977746.db2.gz GRTBVRMRKMRDFD-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370924319 557017802 /nfs/dbraw/zinc/01/78/02/557017802.db2.gz RMOQEVBCKPICLQ-RHSMWYFYSA-N 1 0 357.414 2.141 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000517085322 562075008 /nfs/dbraw/zinc/07/50/08/562075008.db2.gz XAEDFBPXRKHOEI-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371228226 557113302 /nfs/dbraw/zinc/11/33/02/557113302.db2.gz GMVCZQYTEYDKIY-MRXNPFEDSA-N 1 0 370.409 2.453 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000371647932 557250070 /nfs/dbraw/zinc/25/00/70/557250070.db2.gz VETLBCQNIMYCEI-WMZOPIPTSA-N 1 0 364.442 2.473 20 5 FEBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844064 557309857 /nfs/dbraw/zinc/30/98/57/557309857.db2.gz IBFNTICINMVVER-SFHVURJKSA-N 1 0 374.485 2.398 20 5 FEBDRO CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518976117 562122370 /nfs/dbraw/zinc/12/23/70/562122370.db2.gz VCNZZGDBVHFDPO-GFCCVEGCSA-N 1 0 359.835 2.105 20 5 FEBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372353852 557448654 /nfs/dbraw/zinc/44/86/54/557448654.db2.gz BCXCKQPCZKBTBA-LPHOPBHVSA-N 1 0 374.485 2.012 20 5 FEBDRO COc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000519143037 562125784 /nfs/dbraw/zinc/12/57/84/562125784.db2.gz KXOAYHUOTXAUIN-HYVNUMGLSA-N 1 0 358.394 2.489 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372392467 557459289 /nfs/dbraw/zinc/45/92/89/557459289.db2.gz BFJWAPNEDDGLEP-KXBFYZLASA-N 1 0 370.409 2.178 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520009997 562148609 /nfs/dbraw/zinc/14/86/09/562148609.db2.gz CUVRGAANVSAUAC-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000373381596 557683220 /nfs/dbraw/zinc/68/32/20/557683220.db2.gz DAVKOLKESVYZFT-ZDUSSCGKSA-N 1 0 353.444 2.232 20 5 FEBDRO CCC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000373546641 557716101 /nfs/dbraw/zinc/71/61/01/557716101.db2.gz IIKAKDWMZQKXAB-INIZCTEOSA-N 1 0 374.441 2.106 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1OC ZINC000373609511 557728788 /nfs/dbraw/zinc/72/87/88/557728788.db2.gz HMZKNPDYQZDWDW-AEFFLSMTSA-N 1 0 363.414 2.346 20 5 FEBDRO COc1ccc(C(=O)NC2(C(F)(F)F)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000373663158 557733636 /nfs/dbraw/zinc/73/36/36/557733636.db2.gz PDEAPSRTAJXIHG-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000373907489 557784385 /nfs/dbraw/zinc/78/43/85/557784385.db2.gz AKYCIEZRAPIMDZ-JGPRNRPPSA-N 1 0 359.835 2.199 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000374184259 557839762 /nfs/dbraw/zinc/83/97/62/557839762.db2.gz RILHGYOXLVGTFQ-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374298384 557860648 /nfs/dbraw/zinc/86/06/48/557860648.db2.gz UNRHRELPUMPKIL-QAPCUYQASA-N 1 0 360.458 2.001 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374298894 557860730 /nfs/dbraw/zinc/86/07/30/557860730.db2.gz XTMXOVLKDSEEEY-UHFFFAOYSA-N 1 0 367.471 2.406 20 5 FEBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609942 557906616 /nfs/dbraw/zinc/90/66/16/557906616.db2.gz HCQMKZQUFXNEIG-IAGOWNOFSA-N 1 0 360.414 2.306 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374675142 557915605 /nfs/dbraw/zinc/91/56/05/557915605.db2.gz CYWMWCSTFYQHHQ-CYBMUJFWSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871251 557944214 /nfs/dbraw/zinc/94/42/14/557944214.db2.gz CPUKKCLBBMETKG-KBXCAEBGSA-N 1 0 360.458 2.378 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000374917082 557950923 /nfs/dbraw/zinc/95/09/23/557950923.db2.gz XWYWZBUTPQETGE-GXFFZTMASA-N 1 0 355.341 2.362 20 5 FEBDRO COc1cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121695 557980814 /nfs/dbraw/zinc/98/08/14/557980814.db2.gz UGDNKJIQEGSXOF-GJZGRUSLSA-N 1 0 367.421 2.164 20 5 FEBDRO C[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375242001 557997177 /nfs/dbraw/zinc/99/71/77/557997177.db2.gz MKTHLWKTPRTLCV-HUUCEWRRSA-N 1 0 350.415 2.226 20 5 FEBDRO C[N@H+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000521484150 562177423 /nfs/dbraw/zinc/17/74/23/562177423.db2.gz IVBPNLZZNVNHPP-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000377366862 558326733 /nfs/dbraw/zinc/32/67/33/558326733.db2.gz AYZKYNFVKSSAHI-HNAYVOBHSA-N 1 0 371.441 2.254 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000377493505 558351342 /nfs/dbraw/zinc/35/13/42/558351342.db2.gz GJVJEXDWXLAVRD-UHFFFAOYSA-N 1 0 366.487 2.146 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377647842 558386108 /nfs/dbraw/zinc/38/61/08/558386108.db2.gz TZEUVKCLQGMQSK-SFHVURJKSA-N 1 0 365.430 2.272 20 5 FEBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[NH+]2CCC1CC2 ZINC000522675251 562201496 /nfs/dbraw/zinc/20/14/96/562201496.db2.gz KLCITIAWSZTXAE-INIZCTEOSA-N 1 0 356.382 2.015 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377837643 558431931 /nfs/dbraw/zinc/43/19/31/558431931.db2.gz PMRZMUAPHIBILB-MDZRGWNJSA-N 1 0 366.421 2.433 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000378148778 558491024 /nfs/dbraw/zinc/49/10/24/558491024.db2.gz IGVKCWZZMABACF-NAASZUNDSA-N 1 0 361.442 2.079 20 5 FEBDRO COc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304026 558524809 /nfs/dbraw/zinc/52/48/09/558524809.db2.gz FSLLKHOCRXAVSU-HOTGVXAUSA-N 1 0 355.394 2.431 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316032 558666346 /nfs/dbraw/zinc/66/63/46/558666346.db2.gz NFEZEXZYUHASJN-QWHCGFSZSA-N 1 0 371.434 2.290 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524869519 562236522 /nfs/dbraw/zinc/23/65/22/562236522.db2.gz LUQSIUPAOHSXPM-CHWSQXEVSA-N 1 0 371.459 2.097 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279089 558867000 /nfs/dbraw/zinc/86/70/00/558867000.db2.gz PFLVKCZAYSOJFJ-GXTWGEPZSA-N 1 0 361.320 2.311 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000411313149 558874578 /nfs/dbraw/zinc/87/45/78/558874578.db2.gz AADRBEYRJVFPAT-XJKSGUPXSA-N 1 0 363.414 2.433 20 5 FEBDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411413772 558890805 /nfs/dbraw/zinc/89/08/05/558890805.db2.gz BDPRLVFKNNOXGO-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411549139 558915085 /nfs/dbraw/zinc/91/50/85/558915085.db2.gz ZQVJYGFYQZVTOR-ZDUSSCGKSA-N 1 0 350.419 2.078 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411549174 558915217 /nfs/dbraw/zinc/91/52/17/558915217.db2.gz ZUKMZFADZZABCA-CQSZACIVSA-N 1 0 364.446 2.387 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000411576652 558920904 /nfs/dbraw/zinc/92/09/04/558920904.db2.gz OWHWANSDZCTHNC-MAUKXSAKSA-N 1 0 373.413 2.085 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411861798 558978059 /nfs/dbraw/zinc/97/80/59/558978059.db2.gz XOTSHUJKIJARER-UHFFFAOYSA-N 1 0 373.413 2.114 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000525851377 562257363 /nfs/dbraw/zinc/25/73/63/562257363.db2.gz RPBLCKDPISFIBZ-UHFFFAOYSA-N 1 0 350.419 2.099 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412029822 559004210 /nfs/dbraw/zinc/00/42/10/559004210.db2.gz YULAQRBJEOLXGO-LBPRGKRZSA-N 1 0 351.403 2.479 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000412217614 559020633 /nfs/dbraw/zinc/02/06/33/559020633.db2.gz PXLKWBKLIWYSMZ-DLBZAZTESA-N 1 0 370.409 2.060 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000526919989 562269477 /nfs/dbraw/zinc/26/94/77/562269477.db2.gz PHILXKYBXGLSIH-UHFFFAOYSA-N 1 0 366.393 2.005 20 5 FEBDRO CCOc1cc(N2CCN(C[C@H]([NH3+])CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000414755045 559185120 /nfs/dbraw/zinc/18/51/20/559185120.db2.gz ONTJDHPCAORQHW-OAHLLOKOSA-N 1 0 350.463 2.489 20 5 FEBDRO COc1cc(CNC[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414880922 559192602 /nfs/dbraw/zinc/19/26/02/559192602.db2.gz RJZFEDAAFFPZPR-SECBINFHSA-N 1 0 351.325 2.229 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415431133 559235809 /nfs/dbraw/zinc/23/58/09/559235809.db2.gz DLAWSCGVGLTWCH-JTQLQIEISA-N 1 0 362.308 2.114 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000415657086 559258788 /nfs/dbraw/zinc/25/87/88/559258788.db2.gz JPJMVHNEMNLHQP-TXEJJXNPSA-N 1 0 353.394 2.226 20 5 FEBDRO COc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1OCC[NH+](C)C ZINC000416338593 559306439 /nfs/dbraw/zinc/30/64/39/559306439.db2.gz DSUIUXUFZWAVEP-UHFFFAOYSA-N 1 0 362.386 2.135 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000416428310 559312251 /nfs/dbraw/zinc/31/22/51/559312251.db2.gz TZSNRSRLIGPVES-CQSZACIVSA-N 1 0 361.423 2.236 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000417195420 559352388 /nfs/dbraw/zinc/35/23/88/559352388.db2.gz RXCGNTQPLKSVTM-HNNXBMFYSA-N 1 0 362.430 2.277 20 5 FEBDRO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417199962 559352630 /nfs/dbraw/zinc/35/26/30/559352630.db2.gz ZLVMKNODODONEW-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO CC(=O)N1CCN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328366 559357805 /nfs/dbraw/zinc/35/78/05/559357805.db2.gz SKZRXXJUQZKKML-LJQANCHMSA-N 1 0 360.458 2.116 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417980921 559384716 /nfs/dbraw/zinc/38/47/16/559384716.db2.gz BSHMUJJUQLLIBZ-OKILXGFUSA-N 1 0 352.822 2.327 20 5 FEBDRO CCCN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC[NH2+]CC1 ZINC000418080761 559389507 /nfs/dbraw/zinc/38/95/07/559389507.db2.gz DERLRIWVTCOADE-UHFFFAOYSA-N 1 0 360.418 2.145 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418552122 559405882 /nfs/dbraw/zinc/40/58/82/559405882.db2.gz KBJVKYRNKWLQLQ-UHFFFAOYSA-N 1 0 368.393 2.171 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418573836 559406835 /nfs/dbraw/zinc/40/68/35/559406835.db2.gz LQTBNCSFRACVFG-CXAGYDPISA-N 1 0 362.430 2.146 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418576965 559406947 /nfs/dbraw/zinc/40/69/47/559406947.db2.gz IALORPPRDYHPAV-UHFFFAOYSA-N 1 0 368.393 2.302 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751677 559413908 /nfs/dbraw/zinc/41/39/08/559413908.db2.gz RPVADBYDTPRSDK-HIFRSBDPSA-N 1 0 368.384 2.481 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000419146150 559429961 /nfs/dbraw/zinc/42/99/61/559429961.db2.gz HWIUYSKCTAKPGO-STQMWFEESA-N 1 0 370.409 2.108 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000420001732 559468371 /nfs/dbraw/zinc/46/83/71/559468371.db2.gz RPXOOGJSJUCKNB-CQSZACIVSA-N 1 0 363.336 2.046 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420247809 559477547 /nfs/dbraw/zinc/47/75/47/559477547.db2.gz VJLATTJQPAIXBJ-OCAPTIKFSA-N 1 0 352.263 2.300 20 5 FEBDRO C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420262721 559477978 /nfs/dbraw/zinc/47/79/78/559477978.db2.gz RWVDWDDXIXMCRW-OCCSQVGLSA-N 1 0 357.414 2.123 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390582 559484810 /nfs/dbraw/zinc/48/48/10/559484810.db2.gz YLSIWWPMXCYWNW-ACJLOTCBSA-N 1 0 362.430 2.006 20 5 FEBDRO [NH3+]CCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000420462539 559488759 /nfs/dbraw/zinc/48/87/59/559488759.db2.gz NBUDTSVROQXVOJ-LBPRGKRZSA-N 1 0 355.441 2.415 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000420583138 559492999 /nfs/dbraw/zinc/49/29/99/559492999.db2.gz KBIWXUXNYZDMDT-UHFFFAOYSA-N 1 0 354.410 2.406 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420746817 559501911 /nfs/dbraw/zinc/50/19/11/559501911.db2.gz NLGAFXRZOPZAIC-UHFFFAOYSA-N 1 0 355.460 2.308 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420990112 559517904 /nfs/dbraw/zinc/51/79/04/559517904.db2.gz DMRBOILIGREFMX-CYBMUJFWSA-N 1 0 363.414 2.311 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989645 559517926 /nfs/dbraw/zinc/51/79/26/559517926.db2.gz CNNXMTHNXHQPHD-CQSZACIVSA-N 1 0 361.398 2.272 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421006721 559518970 /nfs/dbraw/zinc/51/89/70/559518970.db2.gz BPIWESHZQZHISL-UONOGXRCSA-N 1 0 365.430 2.415 20 5 FEBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421023613 559520350 /nfs/dbraw/zinc/52/03/50/559520350.db2.gz BGIUXESMYBYXGB-AWEZNQCLSA-N 1 0 365.430 2.406 20 5 FEBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000422713191 559604021 /nfs/dbraw/zinc/60/40/21/559604021.db2.gz OYXNXUZYZBWULE-LBPRGKRZSA-N 1 0 357.360 2.393 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000423956807 559647974 /nfs/dbraw/zinc/64/79/74/559647974.db2.gz CWUGIOMGNCCHFW-MRXNPFEDSA-N 1 0 373.409 2.361 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423963138 559648268 /nfs/dbraw/zinc/64/82/68/559648268.db2.gz FFWJLVQNARPWIP-GOEBONIOSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424030360 559651905 /nfs/dbraw/zinc/65/19/05/559651905.db2.gz ZXNWGHSVKGNECY-WOPDTQHZSA-N 1 0 355.822 2.459 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424047089 559652556 /nfs/dbraw/zinc/65/25/56/559652556.db2.gz UGIJUZNSIRSZRB-WBVHZDCISA-N 1 0 358.373 2.394 20 5 FEBDRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(=O)N1C ZINC000424184746 559657180 /nfs/dbraw/zinc/65/71/80/559657180.db2.gz DYXIJWUSABHUNG-BEFAXECRSA-N 1 0 371.441 2.254 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425478829 559704556 /nfs/dbraw/zinc/70/45/56/559704556.db2.gz NESYJJKXRBTIEW-MRXNPFEDSA-N 1 0 364.446 2.204 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000425985601 559726695 /nfs/dbraw/zinc/72/66/95/559726695.db2.gz RXGDTQXGJQPMAA-UHFFFAOYSA-N 1 0 374.397 2.180 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026748 559789058 /nfs/dbraw/zinc/78/90/58/559789058.db2.gz AATDBSVGTXXMFX-OHDICMOHSA-N 1 0 372.469 2.362 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(O)c1 ZINC000429321796 559796044 /nfs/dbraw/zinc/79/60/44/559796044.db2.gz ZDUCLPQBDOWASX-SNVBAGLBSA-N 1 0 359.338 2.318 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000429525030 559800417 /nfs/dbraw/zinc/80/04/17/559800417.db2.gz ZGBZTCDCLCNYCN-LLVKDONJSA-N 1 0 357.366 2.316 20 5 FEBDRO [NH3+]C[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430621566 559824883 /nfs/dbraw/zinc/82/48/83/559824883.db2.gz DPOYBKWULKHYOU-LLVKDONJSA-N 1 0 371.235 2.109 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000430640037 559825544 /nfs/dbraw/zinc/82/55/44/559825544.db2.gz JFSGOOKUYDPPLZ-CQSZACIVSA-N 1 0 351.403 2.120 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077814 559871135 /nfs/dbraw/zinc/87/11/35/559871135.db2.gz SULZRNGTHSZXGP-GJZGRUSLSA-N 1 0 358.402 2.418 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433098837 559871769 /nfs/dbraw/zinc/87/17/69/559871769.db2.gz XYMMQGFXZJOYKA-UHFFFAOYSA-N 1 0 365.187 2.016 20 5 FEBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000434701788 559906486 /nfs/dbraw/zinc/90/64/86/559906486.db2.gz HRSCLCLYYIMKHZ-BXKDBHETSA-N 1 0 361.320 2.406 20 5 FEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000434791788 559909407 /nfs/dbraw/zinc/90/94/07/559909407.db2.gz BINYNLWPNAJTHJ-HZPDHXFCSA-N 1 0 351.403 2.015 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000435421415 559922575 /nfs/dbraw/zinc/92/25/75/559922575.db2.gz HUZAMMXCCKWOET-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO Cn1ccnc1CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432779 559922796 /nfs/dbraw/zinc/92/27/96/559922796.db2.gz OSUIQSALFMQFGJ-QGZVFWFLSA-N 1 0 355.442 2.473 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000438646576 559981675 /nfs/dbraw/zinc/98/16/75/559981675.db2.gz BPHDAOSQPNEIHN-CYBMUJFWSA-N 1 0 353.444 2.032 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000439048710 559987742 /nfs/dbraw/zinc/98/77/42/559987742.db2.gz UTVSLFNRQLXAJJ-AWEZNQCLSA-N 1 0 352.435 2.426 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000439230802 559990420 /nfs/dbraw/zinc/99/04/20/559990420.db2.gz AZRJTOCUTUKLKQ-UHFFFAOYSA-N 1 0 373.450 2.476 20 5 FEBDRO COc1cc(S(=O)(=O)NCc2ccc([C@@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000440425542 560010904 /nfs/dbraw/zinc/01/09/04/560010904.db2.gz NEJNQSGELPYFFO-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442602057 560053262 /nfs/dbraw/zinc/05/32/62/560053262.db2.gz UXUGKFOTTLANRA-CYBMUJFWSA-N 1 0 367.471 2.424 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443988481 560098565 /nfs/dbraw/zinc/09/85/65/560098565.db2.gz OQBCCLYTEMKGGA-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444903165 560124350 /nfs/dbraw/zinc/12/43/50/560124350.db2.gz WQXNOHCUDQYLBN-ZDUSSCGKSA-N 1 0 354.407 2.082 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445030720 560127011 /nfs/dbraw/zinc/12/70/11/560127011.db2.gz LTAAGWIWDGKYMV-LBPRGKRZSA-N 1 0 360.418 2.002 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445182385 560130374 /nfs/dbraw/zinc/13/03/74/560130374.db2.gz MWIZLOFSXRRJQA-UHFFFAOYSA-N 1 0 358.401 2.340 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445952120 560137280 /nfs/dbraw/zinc/13/72/80/560137280.db2.gz HXBMNXHTBPBYRI-SFHVURJKSA-N 1 0 363.458 2.487 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446080626 560139618 /nfs/dbraw/zinc/13/96/18/560139618.db2.gz MPLLXUJVDQTVOR-XQQFMLRXSA-N 1 0 351.403 2.430 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576095 560164746 /nfs/dbraw/zinc/16/47/46/560164746.db2.gz WKKRXOOESYDTNY-DLBZAZTESA-N 1 0 371.441 2.224 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000447814801 560169948 /nfs/dbraw/zinc/16/99/48/560169948.db2.gz BPWUPCQVQHOTMI-NSHDSACASA-N 1 0 370.837 2.083 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447929526 560173373 /nfs/dbraw/zinc/17/33/73/560173373.db2.gz IGOPBIGJUWQOHK-OAHLLOKOSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000447943567 560174212 /nfs/dbraw/zinc/17/42/12/560174212.db2.gz KGEUXHLXSDXKGX-MRXNPFEDSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448324080 560184399 /nfs/dbraw/zinc/18/43/99/560184399.db2.gz BHXFUFMXYWCVMZ-HNNXBMFYSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000449060446 560214656 /nfs/dbraw/zinc/21/46/56/560214656.db2.gz FYDWVYIXBWOSQU-AWEZNQCLSA-N 1 0 374.441 2.370 20 5 FEBDRO C[C@H]([NH2+]C1CC1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449070657 560214911 /nfs/dbraw/zinc/21/49/11/560214911.db2.gz LCAZVMVNOCRURI-VIFPVBQESA-N 1 0 360.336 2.282 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000449096540 560215629 /nfs/dbraw/zinc/21/56/29/560215629.db2.gz INOBUFFCSQIECV-HIFRSBDPSA-N 1 0 374.393 2.284 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000449319496 560225151 /nfs/dbraw/zinc/22/51/51/560225151.db2.gz KCYAINSZUQDOEO-DOMZBBRYSA-N 1 0 361.364 2.379 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449613356 560234857 /nfs/dbraw/zinc/23/48/57/560234857.db2.gz RSISWEHHAYJMLV-VXNVDRBHSA-N 1 0 351.737 2.114 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449672868 560236392 /nfs/dbraw/zinc/23/63/92/560236392.db2.gz NMIUPNANTVZXPW-CQSZACIVSA-N 1 0 358.402 2.069 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000449696525 560237314 /nfs/dbraw/zinc/23/73/14/560237314.db2.gz KFKNFTSKQRPOPE-AWEZNQCLSA-N 1 0 366.849 2.035 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000449713195 560237795 /nfs/dbraw/zinc/23/77/95/560237795.db2.gz WMHIMQFDMQNODK-ZYHUDNBSSA-N 1 0 360.357 2.498 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000449719513 560238020 /nfs/dbraw/zinc/23/80/20/560238020.db2.gz LGGHAOGAKHFOGV-VIFPVBQESA-N 1 0 370.125 2.367 20 5 FEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000449740406 560238482 /nfs/dbraw/zinc/23/84/82/560238482.db2.gz PAMNMRNXPZMURH-JOQOYGCGSA-N 1 0 358.442 2.265 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000451033479 560283779 /nfs/dbraw/zinc/28/37/79/560283779.db2.gz UMEDWOFJOLOVLF-SFHVURJKSA-N 1 0 362.382 2.185 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484793 560309716 /nfs/dbraw/zinc/30/97/16/560309716.db2.gz XSUAELLIGKTBTB-DLBZAZTESA-N 1 0 359.426 2.421 20 5 FEBDRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549675 560314052 /nfs/dbraw/zinc/31/40/52/560314052.db2.gz QBTIQQSGQLOMRH-GOEBONIOSA-N 1 0 367.471 2.056 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598124 560316668 /nfs/dbraw/zinc/31/66/68/560316668.db2.gz NZBFHCYWRSPRFH-KDOFPFPSSA-N 1 0 367.446 2.421 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000452796771 560374339 /nfs/dbraw/zinc/37/43/39/560374339.db2.gz LKEBVZPGSHRRIR-OAHLLOKOSA-N 1 0 363.458 2.469 20 5 FEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453151161 560383868 /nfs/dbraw/zinc/38/38/68/560383868.db2.gz VPNBPANHPFDROQ-CQSZACIVSA-N 1 0 364.427 2.009 20 5 FEBDRO CC[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000454023111 560422768 /nfs/dbraw/zinc/42/27/68/560422768.db2.gz LJAPQQMFMSQPHF-NSHDSACASA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454097260 560428937 /nfs/dbraw/zinc/42/89/37/560428937.db2.gz MJMQOSLMXDMMGH-AWEZNQCLSA-N 1 0 362.430 2.091 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454383552 560442406 /nfs/dbraw/zinc/44/24/06/560442406.db2.gz OQZRREBIHTVZPL-OAHLLOKOSA-N 1 0 361.377 2.203 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000454927162 560463797 /nfs/dbraw/zinc/46/37/97/560463797.db2.gz MYWOXEWHSGCMDL-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455134366 560471299 /nfs/dbraw/zinc/47/12/99/560471299.db2.gz DEADROWYAWIYRV-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456040779 560505231 /nfs/dbraw/zinc/50/52/31/560505231.db2.gz FDHNOEJIWXLGDV-LRDDRELGSA-N 1 0 357.414 2.453 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000457063488 560546584 /nfs/dbraw/zinc/54/65/84/560546584.db2.gz VTWDXRVMLBRKFN-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1[NH3+] ZINC000457357798 560563746 /nfs/dbraw/zinc/56/37/46/560563746.db2.gz APLLMKYAOJODHF-MKBNYLNASA-N 1 0 357.414 2.193 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@H]1c1ccc(F)cc1 ZINC000457370958 560564217 /nfs/dbraw/zinc/56/42/17/560564217.db2.gz HNJNPTFQVYVZKE-ZWKOTPCHSA-N 1 0 373.384 2.456 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458203776 560608788 /nfs/dbraw/zinc/60/87/88/560608788.db2.gz PLCSMIZPGPWHSD-UHFFFAOYSA-N 1 0 365.459 2.142 20 5 FEBDRO C[C@@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459817476 560710632 /nfs/dbraw/zinc/71/06/32/560710632.db2.gz XHYNUOLLMHUKLO-NSHDSACASA-N 1 0 351.403 2.103 20 5 FEBDRO COc1cccc(C(=O)NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000460978985 560757862 /nfs/dbraw/zinc/75/78/62/560757862.db2.gz KDGLXMCGXXNRJO-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000461039916 560760122 /nfs/dbraw/zinc/76/01/22/560760122.db2.gz AYAOPCUBBUCRJK-CYBMUJFWSA-N 1 0 360.414 2.367 20 5 FEBDRO C[N@H+](CCC1CCOCC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000466488248 560887987 /nfs/dbraw/zinc/88/79/87/560887987.db2.gz IAGPLQGRDMTAFM-UHFFFAOYSA-N 1 0 365.386 2.011 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000470153212 560975511 /nfs/dbraw/zinc/97/55/11/560975511.db2.gz WZMWAOVKGCWCPO-LLVKDONJSA-N 1 0 354.382 2.043 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000470690093 560987525 /nfs/dbraw/zinc/98/75/25/560987525.db2.gz PLVOEOLYZXBBPU-OAHLLOKOSA-N 1 0 363.414 2.374 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000472572682 561029492 /nfs/dbraw/zinc/02/94/92/561029492.db2.gz BXSQPQOZHYWHFH-UHFFFAOYSA-N 1 0 366.393 2.053 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473535966 561052178 /nfs/dbraw/zinc/05/21/78/561052178.db2.gz UGSMAYXTDTUVKS-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO Cn1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000474308595 561070963 /nfs/dbraw/zinc/07/09/63/561070963.db2.gz UTNRYPVRZZMBHM-BXUZGUMPSA-N 1 0 364.352 2.087 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000474380641 561072664 /nfs/dbraw/zinc/07/26/64/561072664.db2.gz SYISUPNJLSYNJO-UHFFFAOYSA-N 1 0 354.403 2.033 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000474381141 561072745 /nfs/dbraw/zinc/07/27/45/561072745.db2.gz VBZBPSRWGPQYPS-FMKPAKJESA-N 1 0 364.398 2.194 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000475037785 561088424 /nfs/dbraw/zinc/08/84/24/561088424.db2.gz HKMNPIPUWLTEGT-WMZOPIPTSA-N 1 0 361.421 2.339 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000475115074 561090892 /nfs/dbraw/zinc/09/08/92/561090892.db2.gz BBPVZOUKFAZIGP-YDHLFZDLSA-N 1 0 366.414 2.128 20 5 FEBDRO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475306629 561094562 /nfs/dbraw/zinc/09/45/62/561094562.db2.gz SUCYAUBWVFBBOV-INIZCTEOSA-N 1 0 371.441 2.259 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475555843 561099811 /nfs/dbraw/zinc/09/98/11/561099811.db2.gz YVGFJFHUEIFINT-HNNXBMFYSA-N 1 0 365.430 2.063 20 5 FEBDRO CC[NH+]1CCC(N(C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475579852 561100348 /nfs/dbraw/zinc/10/03/48/561100348.db2.gz AYRJHPPRDQFEOP-UHFFFAOYSA-N 1 0 365.430 2.063 20 5 FEBDRO COc1c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000475596645 561100555 /nfs/dbraw/zinc/10/05/55/561100555.db2.gz RCLOTQMYQBGHGY-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000532215430 562470684 /nfs/dbraw/zinc/47/06/84/562470684.db2.gz NDFZSDVERIGMMD-AWEZNQCLSA-N 1 0 364.446 2.012 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000532252599 562471607 /nfs/dbraw/zinc/47/16/07/562471607.db2.gz OOSHRLUEBLMGMP-RHSMWYFYSA-N 1 0 362.430 2.099 20 5 FEBDRO COC(=O)CC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000532723768 562486857 /nfs/dbraw/zinc/48/68/57/562486857.db2.gz NEWLVBCXFOZBBZ-UHFFFAOYSA-N 1 0 363.414 2.413 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000532944716 562493314 /nfs/dbraw/zinc/49/33/14/562493314.db2.gz UZAQCAQWNIUWQH-CQSZACIVSA-N 1 0 362.430 2.209 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533303125 562504558 /nfs/dbraw/zinc/50/45/58/562504558.db2.gz FQRANZXEOXJZON-ZDUSSCGKSA-N 1 0 352.822 2.355 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000533866995 562520253 /nfs/dbraw/zinc/52/02/53/562520253.db2.gz PKOUJXMGYUBTHU-AWEZNQCLSA-N 1 0 357.414 2.455 20 5 FEBDRO COc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000534134401 562526271 /nfs/dbraw/zinc/52/62/71/562526271.db2.gz KBUVQZWRVHSDPS-UHFFFAOYSA-N 1 0 373.409 2.309 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541814248 562620307 /nfs/dbraw/zinc/62/03/07/562620307.db2.gz DNTUULLVSCPGPY-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000549734612 562638839 /nfs/dbraw/zinc/63/88/39/562638839.db2.gz JIHPNKGBTTULGY-LBPRGKRZSA-N 1 0 371.319 2.369 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556201712 674391943 /nfs/dbraw/zinc/39/19/43/674391943.db2.gz VPWQLIKYMLQGER-ZNMIVQPWSA-N 1 0 351.451 2.417 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000602058322 567914930 /nfs/dbraw/zinc/91/49/30/567914930.db2.gz QNPVETVJAPEKFY-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000584676836 568193098 /nfs/dbraw/zinc/19/30/98/568193098.db2.gz ACPCRNHGBYLASD-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000569474899 568401725 /nfs/dbraw/zinc/40/17/25/568401725.db2.gz VJAICJMEECPWRI-VHSXEESVSA-N 1 0 373.356 2.452 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923904 568704229 /nfs/dbraw/zinc/70/42/29/568704229.db2.gz XYJPRBFNGMIRNS-HOCLYGCPSA-N 1 0 367.471 2.262 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640230 599059187 /nfs/dbraw/zinc/05/91/87/599059187.db2.gz YIGQMIAYLXCWKE-CYBMUJFWSA-N 1 0 357.418 2.087 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419221 599362114 /nfs/dbraw/zinc/36/21/14/599362114.db2.gz FTIRWJUNDKXKIT-ZBEGNZNMSA-N 1 0 354.370 2.159 20 5 FEBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000557998671 674478721 /nfs/dbraw/zinc/47/87/21/674478721.db2.gz YISUIDQNEKFVDY-UHFFFAOYSA-N 1 0 350.419 2.422 20 5 FEBDRO C[C@H]1CCC[C@@](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000820699146 606700887 /nfs/dbraw/zinc/70/08/87/606700887.db2.gz XUBWLUCDSWOQND-MEDUHNTESA-N 1 0 360.422 2.092 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826499380 608531573 /nfs/dbraw/zinc/53/15/73/608531573.db2.gz GUXLGTLJWNHZIY-MRXNPFEDSA-N 1 0 366.381 2.087 20 5 FEBDRO CC[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585626 674601135 /nfs/dbraw/zinc/60/11/35/674601135.db2.gz VTSCLDOXPBWMSC-CVEARBPZSA-N 1 0 355.460 2.450 20 5 FEBDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585629 674601188 /nfs/dbraw/zinc/60/11/88/674601188.db2.gz VTSCLDOXPBWMSC-HOTGVXAUSA-N 1 0 355.460 2.450 20 5 FEBDRO Cc1nc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)sc1C ZINC000562996516 674832845 /nfs/dbraw/zinc/83/28/45/674832845.db2.gz KVGPFDPLDURKKN-CQSZACIVSA-N 1 0 351.428 2.240 20 5 FEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000563626273 674919427 /nfs/dbraw/zinc/91/94/27/674919427.db2.gz XKBXESGCRIEJES-VIFPVBQESA-N 1 0 369.365 2.409 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000563720328 674932915 /nfs/dbraw/zinc/93/29/15/674932915.db2.gz AZUILCDPQIDXEQ-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO CN(CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000564844971 675067077 /nfs/dbraw/zinc/06/70/77/675067077.db2.gz RFZNIKQZCGGAIU-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO Cc1ccc(Br)cc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564870713 675070564 /nfs/dbraw/zinc/07/05/64/675070564.db2.gz BNOZBPOITUSUAQ-AWEZNQCLSA-N 1 0 369.219 2.013 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+](C2CCC2)C1 ZINC000817021514 675093403 /nfs/dbraw/zinc/09/34/03/675093403.db2.gz KWDQFKOYHCYCQA-NSHDSACASA-N 1 0 350.394 2.263 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000817150139 675105742 /nfs/dbraw/zinc/10/57/42/675105742.db2.gz IVMKIDHOBVLJNS-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000565303758 675109981 /nfs/dbraw/zinc/10/99/81/675109981.db2.gz QZXXGEJDQIIACT-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000076250129 670545778 /nfs/dbraw/zinc/54/57/78/670545778.db2.gz ONYIPMYNRIEQED-UHFFFAOYSA-N 1 0 350.375 2.417 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC000570675480 670750276 /nfs/dbraw/zinc/75/02/76/670750276.db2.gz OBGQIJCWQJZUQA-HNNXBMFYSA-N 1 0 352.337 2.445 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000093434229 670752997 /nfs/dbraw/zinc/75/29/97/670752997.db2.gz GIZMVFQZTPADJA-KOLCDFICSA-N 1 0 357.208 2.027 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(CCO)CCCCC2)c1 ZINC000570720750 670759523 /nfs/dbraw/zinc/75/95/23/670759523.db2.gz MCPNIGJJQOQAMQ-MRXNPFEDSA-N 1 0 352.431 2.257 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000110085780 670847231 /nfs/dbraw/zinc/84/72/31/670847231.db2.gz SJBONDSULPTFEY-LBPRGKRZSA-N 1 0 356.810 2.481 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000572365088 670992952 /nfs/dbraw/zinc/99/29/52/670992952.db2.gz ALGWQHVMPZGNRE-PELKAZGASA-N 1 0 363.748 2.129 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000572687544 671031959 /nfs/dbraw/zinc/03/19/59/671031959.db2.gz FTDMWMNRMGXOKG-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO COc1cc(F)cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000566111674 675181953 /nfs/dbraw/zinc/18/19/53/675181953.db2.gz LDRAVGYHURJPBQ-HNNXBMFYSA-N 1 0 350.346 2.272 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574536224 671251685 /nfs/dbraw/zinc/25/16/85/671251685.db2.gz WOLOKPBXOGBAHI-UHFFFAOYSA-N 1 0 352.435 2.393 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000574986686 671291058 /nfs/dbraw/zinc/29/10/58/671291058.db2.gz VYSWIFQJNKZMBY-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000575011846 671292560 /nfs/dbraw/zinc/29/25/60/671292560.db2.gz QODJWEYUNFHDTQ-UHFFFAOYSA-N 1 0 351.451 2.214 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566172098 675189100 /nfs/dbraw/zinc/18/91/00/675189100.db2.gz AFURMIFASXOSGK-MRXNPFEDSA-N 1 0 351.428 2.131 20 5 FEBDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000576345648 671362183 /nfs/dbraw/zinc/36/21/83/671362183.db2.gz MOSRUYCBFCNWAC-DOMZBBRYSA-N 1 0 362.407 2.480 20 5 FEBDRO O=[N+]([O-])c1sccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000609149995 675912226 /nfs/dbraw/zinc/91/22/26/675912226.db2.gz DVWVDXZPYIHREU-UHFFFAOYSA-N 1 0 362.459 2.461 20 5 FEBDRO Cc1ccsc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000577681232 671612964 /nfs/dbraw/zinc/61/29/64/671612964.db2.gz MIUPDHBXYPSINT-UHFFFAOYSA-N 1 0 369.468 2.334 20 5 FEBDRO CCS(=O)(=O)NC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000578579546 671674870 /nfs/dbraw/zinc/67/48/70/671674870.db2.gz ASSZGEGLNVAFQJ-SDNWHVSQSA-N 1 0 367.471 2.402 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609731868 675934656 /nfs/dbraw/zinc/93/46/56/675934656.db2.gz NNJXKXFUBVLFFN-LBPRGKRZSA-N 1 0 355.822 2.427 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793407 675936501 /nfs/dbraw/zinc/93/65/01/675936501.db2.gz PFAWEJMOCLWURQ-CYBMUJFWSA-N 1 0 355.822 2.018 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848949 675938969 /nfs/dbraw/zinc/93/89/69/675938969.db2.gz RBZVZOKKORPHJS-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000580605780 671820504 /nfs/dbraw/zinc/82/05/04/671820504.db2.gz GKJFGJOZNYIBFQ-LBPRGKRZSA-N 1 0 350.419 2.078 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CCC(C[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000609987357 675945841 /nfs/dbraw/zinc/94/58/41/675945841.db2.gz HJGPYPBVPFJLLJ-UHFFFAOYSA-N 1 0 351.451 2.464 20 5 FEBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000580906132 671845371 /nfs/dbraw/zinc/84/53/71/671845371.db2.gz HJWTZUIHHOSHFS-YOEHRIQHSA-N 1 0 352.431 2.111 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000610024155 675947617 /nfs/dbraw/zinc/94/76/17/675947617.db2.gz BMFCRFUQCRSKNK-GFCCVEGCSA-N 1 0 350.419 2.133 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119368906 671898106 /nfs/dbraw/zinc/89/81/06/671898106.db2.gz AWOVQRZFIGPEMD-UHFFFAOYSA-N 1 0 371.390 2.079 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208719 675959245 /nfs/dbraw/zinc/95/92/45/675959245.db2.gz JJHJJGYOHGDFHU-GXTWGEPZSA-N 1 0 367.471 2.436 20 5 FEBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000581920691 671949643 /nfs/dbraw/zinc/94/96/43/671949643.db2.gz ILVNKMWLJNNGEC-SECBINFHSA-N 1 0 364.183 2.402 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261710 675962126 /nfs/dbraw/zinc/96/21/26/675962126.db2.gz ZJOZYAZKSCJUOO-BETUJISGSA-N 1 0 370.475 2.025 20 5 FEBDRO COC(=O)C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOC1 ZINC000582799303 672035066 /nfs/dbraw/zinc/03/50/66/672035066.db2.gz RZEGKAYZSSUUSO-CQSZACIVSA-N 1 0 362.304 2.425 20 5 FEBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583410605 672091747 /nfs/dbraw/zinc/09/17/47/672091747.db2.gz WXLHLBWYQLGKMA-RYUDHWBXSA-N 1 0 362.167 2.466 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000584243193 672169400 /nfs/dbraw/zinc/16/94/00/672169400.db2.gz SIBPULFGKNGFCP-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000154673491 672220100 /nfs/dbraw/zinc/22/01/00/672220100.db2.gz ZZFAJRPMWOAXCD-BETUJISGSA-N 1 0 350.419 2.476 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175087611 672365288 /nfs/dbraw/zinc/36/52/88/672365288.db2.gz UOEBDBOXJZTASD-LBPRGKRZSA-N 1 0 355.822 2.335 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000589236439 672516195 /nfs/dbraw/zinc/51/61/95/672516195.db2.gz UQEIGRHNWUKOJY-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591124 672593835 /nfs/dbraw/zinc/59/38/35/672593835.db2.gz JTSCTMHLRQUKQF-AAEUAGOBSA-N 1 0 373.450 2.441 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)CC(C)(C)C ZINC000591013989 672641402 /nfs/dbraw/zinc/64/14/02/672641402.db2.gz BYIHDJYTDLAVGD-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO C[NH+](C)C1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCCCCC1 ZINC000611525055 676042464 /nfs/dbraw/zinc/04/24/64/676042464.db2.gz HCJKAZGNEWHJPA-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1cc(CNC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591275652 672664473 /nfs/dbraw/zinc/66/44/73/672664473.db2.gz PBKPRNPSXKMAAX-LBPRGKRZSA-N 1 0 359.373 2.479 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000591681391 672700957 /nfs/dbraw/zinc/70/09/57/672700957.db2.gz OVNJITCUJXEBGM-NSHDSACASA-N 1 0 354.204 2.324 20 5 FEBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000591678568 672701080 /nfs/dbraw/zinc/70/10/80/672701080.db2.gz YKVMUVLGKDURRS-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000591770899 672709775 /nfs/dbraw/zinc/70/97/75/672709775.db2.gz DLZAOXIKQXRDRQ-ZDUSSCGKSA-N 1 0 370.496 2.491 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000591770406 672709833 /nfs/dbraw/zinc/70/98/33/672709833.db2.gz CDBRUWKAIKXQLU-OTTFEQOBSA-N 1 0 360.357 2.475 20 5 FEBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591983407 672729111 /nfs/dbraw/zinc/72/91/11/672729111.db2.gz XRGNUBICVNAKKT-JTQLQIEISA-N 1 0 360.336 2.170 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000194214292 672752629 /nfs/dbraw/zinc/75/26/29/672752629.db2.gz IWQWNUHPQAYRDA-CYBMUJFWSA-N 1 0 370.475 2.166 20 5 FEBDRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182505 672768139 /nfs/dbraw/zinc/76/81/39/672768139.db2.gz BQRHDPVYGGMUNW-GJZGRUSLSA-N 1 0 350.415 2.226 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061666 672870352 /nfs/dbraw/zinc/87/03/52/672870352.db2.gz KYBDYGLEZPBEPE-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO CCOc1cc(C(=O)NCCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000593919059 673008244 /nfs/dbraw/zinc/00/82/44/673008244.db2.gz MYCHIMOHUHCDGY-UHFFFAOYSA-N 1 0 351.403 2.122 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594483754 673087921 /nfs/dbraw/zinc/08/79/21/673087921.db2.gz PEBSZJHJPCASEI-HZPDHXFCSA-N 1 0 353.444 2.031 20 5 FEBDRO COCC1(C2CCC2)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594716326 673121658 /nfs/dbraw/zinc/12/16/58/673121658.db2.gz PBEVMUMANXMVCA-HNNXBMFYSA-N 1 0 350.415 2.083 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000594799285 673146626 /nfs/dbraw/zinc/14/66/26/673146626.db2.gz LOHMKWFXEKUAEZ-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1 ZINC000372005492 673150747 /nfs/dbraw/zinc/15/07/47/673150747.db2.gz AHTNINIFDBYDQV-KRWDZBQOSA-N 1 0 369.849 2.219 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)CCCC2 ZINC000595077563 673191047 /nfs/dbraw/zinc/19/10/47/673191047.db2.gz JGYJHZTWPUOYHW-ZWKOTPCHSA-N 1 0 350.415 2.120 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000595108250 673194369 /nfs/dbraw/zinc/19/43/69/673194369.db2.gz LTSIBWIAEDYGDS-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595112509 673195207 /nfs/dbraw/zinc/19/52/07/673195207.db2.gz CMFPVVZREJFVST-SMDDNHRTSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595113966 673195654 /nfs/dbraw/zinc/19/56/54/673195654.db2.gz RCNMJCJUMANUAY-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595121354 673197423 /nfs/dbraw/zinc/19/74/23/673197423.db2.gz YKZMNONHMGNOIF-JTQLQIEISA-N 1 0 359.835 2.201 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000595406321 673244411 /nfs/dbraw/zinc/24/44/11/673244411.db2.gz BWMNVUFHPPZNCQ-RHSMWYFYSA-N 1 0 350.438 2.192 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595873608 673333097 /nfs/dbraw/zinc/33/30/97/673333097.db2.gz NMUFUONXOZQZDE-UHFFFAOYSA-N 1 0 352.435 2.252 20 5 FEBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000595942843 673342364 /nfs/dbraw/zinc/34/23/64/673342364.db2.gz KHBANBWBUBWHJG-UHFFFAOYSA-N 1 0 359.304 2.099 20 5 FEBDRO CC(C)[C@H]([NH3+])CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000595990288 673345810 /nfs/dbraw/zinc/34/58/10/673345810.db2.gz WXNPKPREAZFFGD-CYBMUJFWSA-N 1 0 358.236 2.389 20 5 FEBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000596016779 673348577 /nfs/dbraw/zinc/34/85/77/673348577.db2.gz UNSAOILKESWANT-ZDUSSCGKSA-N 1 0 352.410 2.136 20 5 FEBDRO C[NH2+]C[C@@H](C)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000596105653 673359258 /nfs/dbraw/zinc/35/92/58/673359258.db2.gz LDDQPAKQJRCVIB-SECBINFHSA-N 1 0 351.325 2.242 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000596147945 673363098 /nfs/dbraw/zinc/36/30/98/673363098.db2.gz YLEVTMMCEMZVRY-QGZVFWFLSA-N 1 0 362.817 2.114 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596177574 673365353 /nfs/dbraw/zinc/36/53/53/673365353.db2.gz NASWCBARDDFDEB-UHFFFAOYSA-N 1 0 352.435 2.270 20 5 FEBDRO CN(CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000613537224 676133111 /nfs/dbraw/zinc/13/31/11/676133111.db2.gz XLXJYHZCLZVQKJ-GOEBONIOSA-N 1 0 369.487 2.177 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC1([NH+](C)C)CCC1 ZINC000596223413 673369485 /nfs/dbraw/zinc/36/94/85/673369485.db2.gz QUSCLXVYCDZDLJ-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000536592894 673370847 /nfs/dbraw/zinc/37/08/47/673370847.db2.gz YOFMPSLNQYDSQB-LBPRGKRZSA-N 1 0 351.794 2.014 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596359329 673379545 /nfs/dbraw/zinc/37/95/45/673379545.db2.gz AMHNUUNBWDRYPF-NSHDSACASA-N 1 0 374.283 2.436 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000596542199 673392793 /nfs/dbraw/zinc/39/27/93/673392793.db2.gz KNVVWQOGFOAKBU-UHFFFAOYSA-N 1 0 358.464 2.035 20 5 FEBDRO C[C@H](CC1CCCC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537943227 673414872 /nfs/dbraw/zinc/41/48/72/673414872.db2.gz GTCYNVTVYCWPQF-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539070333 673472415 /nfs/dbraw/zinc/47/24/15/673472415.db2.gz FDXQFUHJMUWJAP-JKSUJKDBSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597571379 673488178 /nfs/dbraw/zinc/48/81/78/673488178.db2.gz HMAHIGUNSKCWRC-UHFFFAOYSA-N 1 0 365.455 2.001 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693058 673499649 /nfs/dbraw/zinc/49/96/49/673499649.db2.gz ADLSFRBSWQXUGP-JKSUJKDBSA-N 1 0 365.455 2.009 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000539727918 673503001 /nfs/dbraw/zinc/50/30/01/673503001.db2.gz DBWMQNZAGGIDCE-FUHWJXTLSA-N 1 0 350.415 2.226 20 5 FEBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000597945561 673522369 /nfs/dbraw/zinc/52/23/69/673522369.db2.gz IHZFWCXYHFIIEO-CYBMUJFWSA-N 1 0 370.247 2.452 20 5 FEBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000597989755 673527601 /nfs/dbraw/zinc/52/76/01/673527601.db2.gz JFDSBMRVWTXDBU-UHFFFAOYSA-N 1 0 364.471 2.423 20 5 FEBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000598163393 673543104 /nfs/dbraw/zinc/54/31/04/673543104.db2.gz OLAXJTNMRYLBOD-UHFFFAOYSA-N 1 0 361.320 2.170 20 5 FEBDRO CSc1cccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598541184 673580709 /nfs/dbraw/zinc/58/07/09/673580709.db2.gz UGQUUNIXSDCLKY-CYBMUJFWSA-N 1 0 367.471 2.500 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598605593 673589187 /nfs/dbraw/zinc/58/91/87/673589187.db2.gz SIUMZVRDPZSSKK-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598608519 673589698 /nfs/dbraw/zinc/58/96/98/673589698.db2.gz STVSFIZLMLKGGX-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613929 673590750 /nfs/dbraw/zinc/59/07/50/673590750.db2.gz ZVTCWBCAYFIKEG-OCCSQVGLSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598621446 673591723 /nfs/dbraw/zinc/59/17/23/673591723.db2.gz WKXPIKZEJMUJEO-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000599102653 673633498 /nfs/dbraw/zinc/63/34/98/673633498.db2.gz OANJGYILHHZIBF-UHFFFAOYSA-N 1 0 353.425 2.257 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000740840721 673656794 /nfs/dbraw/zinc/65/67/94/673656794.db2.gz CTLYEWVKKAJVNG-CHWSQXEVSA-N 1 0 353.394 2.444 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632059 673700059 /nfs/dbraw/zinc/70/00/59/673700059.db2.gz RSSGSFKZXJUANQ-OKXMYEFYSA-N 1 0 365.455 2.217 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600111467 673741721 /nfs/dbraw/zinc/74/17/21/673741721.db2.gz IVKLJTOTVFVTSS-UHFFFAOYSA-N 1 0 365.455 2.010 20 5 FEBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600210234 673749245 /nfs/dbraw/zinc/74/92/45/673749245.db2.gz QVBFGPMSTRVJEV-OCVGTWLNSA-N 1 0 352.456 2.471 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000600314230 673757796 /nfs/dbraw/zinc/75/77/96/673757796.db2.gz OEPQHINSXWJWGI-ZDUSSCGKSA-N 1 0 367.471 2.141 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000546731646 673813989 /nfs/dbraw/zinc/81/39/89/673813989.db2.gz VZEMGNDBWIVBMN-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601335906 673844269 /nfs/dbraw/zinc/84/42/69/673844269.db2.gz ZUMGCNXKQZKRDU-SMDDNHRTSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601342211 673845036 /nfs/dbraw/zinc/84/50/36/673845036.db2.gz TZVCOVACEKRASQ-JSGCOSHPSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])s1 ZINC000601341503 673845096 /nfs/dbraw/zinc/84/50/96/673845096.db2.gz DEADQUBUWSORRO-RYUDHWBXSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])s1 ZINC000601342938 673845374 /nfs/dbraw/zinc/84/53/74/673845374.db2.gz GWWPGXRMDWWHKZ-GFCCVEGCSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c(F)cc1[N+](=O)[O-] ZINC000601383378 673852934 /nfs/dbraw/zinc/85/29/34/673852934.db2.gz IBOHZCLYIPAENB-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414715 673858459 /nfs/dbraw/zinc/85/84/59/673858459.db2.gz FZDSPDOKXYNQJN-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601443712 673863380 /nfs/dbraw/zinc/86/33/80/673863380.db2.gz KXTCHIPMSSELIJ-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000601502541 673871829 /nfs/dbraw/zinc/87/18/29/673871829.db2.gz PUFBZAHRYGBMGK-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc([N+](=O)[O-])cc1Br ZINC000601975656 673900878 /nfs/dbraw/zinc/90/08/78/673900878.db2.gz RNJWPUUOGUOWEH-OTYXRUKQSA-N 1 0 354.204 2.229 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000602541845 673907714 /nfs/dbraw/zinc/90/77/14/673907714.db2.gz REQZQTJJTQPGRP-BXKDBHETSA-N 1 0 361.320 2.203 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602579617 673908347 /nfs/dbraw/zinc/90/83/47/673908347.db2.gz BZIJBAUDHKQPJE-INIZCTEOSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1sc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000602581765 673908392 /nfs/dbraw/zinc/90/83/92/673908392.db2.gz KVOHIGFHJZEMEH-CYBMUJFWSA-N 1 0 353.444 2.195 20 5 FEBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)(F)F ZINC000602579337 673908430 /nfs/dbraw/zinc/90/84/30/673908430.db2.gz JTDSWODRWKQDPD-JSGCOSHPSA-N 1 0 362.352 2.250 20 5 FEBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000602728519 673910358 /nfs/dbraw/zinc/91/03/58/673910358.db2.gz AGFOXUDBLMSZNE-GTNSWQLSSA-N 1 0 350.371 2.092 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000602821856 673911325 /nfs/dbraw/zinc/91/13/25/673911325.db2.gz BGVKNLYLHWXKSM-NSHDSACASA-N 1 0 363.384 2.352 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000602830641 673911743 /nfs/dbraw/zinc/91/17/43/673911743.db2.gz URNVSEVUDABAQN-UHFFFAOYSA-N 1 0 351.451 2.213 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000603386386 673928564 /nfs/dbraw/zinc/92/85/64/673928564.db2.gz WZENKBWBTDNDJM-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1c(C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819259329 675274730 /nfs/dbraw/zinc/27/47/30/675274730.db2.gz HBOBQYFFSCBEMJ-AWEZNQCLSA-N 1 0 353.419 2.269 20 5 FEBDRO Cc1cc(Cl)nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000819289328 675277566 /nfs/dbraw/zinc/27/75/66/675277566.db2.gz ASGVFOWRGDRCLI-ZDUSSCGKSA-N 1 0 351.790 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)cc1 ZINC000819336946 675282713 /nfs/dbraw/zinc/28/27/13/675282713.db2.gz LIUJUFDUSLWBMD-OAHLLOKOSA-N 1 0 361.789 2.157 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000567522911 675299984 /nfs/dbraw/zinc/29/99/84/675299984.db2.gz DQUOIHJJBFCARI-LBPRGKRZSA-N 1 0 366.443 2.150 20 5 FEBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587958 675304401 /nfs/dbraw/zinc/30/44/01/675304401.db2.gz DKYDAFWEIMBHGK-LDYMZIIASA-N 1 0 362.167 2.466 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000567680886 675311986 /nfs/dbraw/zinc/31/19/86/675311986.db2.gz HEBGSMRTJUHCTP-OAHLLOKOSA-N 1 0 359.411 2.066 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC2CS(=O)(=O)C2)o1 ZINC000615728183 676225378 /nfs/dbraw/zinc/22/53/78/676225378.db2.gz OWGQHFDWNHVMAU-UHFFFAOYSA-N 1 0 350.396 2.379 20 5 FEBDRO CO[C@@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000615732056 676225574 /nfs/dbraw/zinc/22/55/74/676225574.db2.gz QRCMTKIUXPZRDF-ZDUSSCGKSA-N 1 0 350.293 2.423 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000825553754 675658394 /nfs/dbraw/zinc/65/83/94/675658394.db2.gz BGYJDFWYXMQBMD-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000826059190 675680287 /nfs/dbraw/zinc/68/02/87/675680287.db2.gz ZMECTZJPZIUCJC-UHFFFAOYSA-N 1 0 352.410 2.214 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000827291840 675745891 /nfs/dbraw/zinc/74/58/91/675745891.db2.gz XHEDFCDQPIWSDH-ZWNOBZJWSA-N 1 0 355.341 2.362 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000603640461 675800291 /nfs/dbraw/zinc/80/02/91/675800291.db2.gz AXNHIQRLIYIYAY-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO C[NH+](C)C1(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CCCCCC1 ZINC000603929318 675802131 /nfs/dbraw/zinc/80/21/31/675802131.db2.gz LKFCCUHSJXNOFT-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000619476416 676379341 /nfs/dbraw/zinc/37/93/41/676379341.db2.gz OOFZDYCXWHGGDO-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2=O ZINC000830448803 677040181 /nfs/dbraw/zinc/04/01/81/677040181.db2.gz UBPZDYSVLLDGLI-BZNIZROVSA-N 1 0 366.805 2.188 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000839412524 680751979 /nfs/dbraw/zinc/75/19/79/680751979.db2.gz VQUWWWHIYUTWKT-MFKMUULPSA-N 1 0 354.204 2.133 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000762623093 680756155 /nfs/dbraw/zinc/75/61/55/680756155.db2.gz RJILZBDZMIYMHO-CYBMUJFWSA-N 1 0 353.394 2.273 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000762623094 680756247 /nfs/dbraw/zinc/75/62/47/680756247.db2.gz RJILZBDZMIYMHO-ZDUSSCGKSA-N 1 0 353.394 2.273 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082405 680771676 /nfs/dbraw/zinc/77/16/76/680771676.db2.gz FVBGAQAQQUTNGC-VHSXEESVSA-N 1 0 357.794 2.364 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)C1CC1 ZINC000840878442 680848808 /nfs/dbraw/zinc/84/88/08/680848808.db2.gz IBUZZNZYRYQWGF-BBRMVZONSA-N 1 0 352.456 2.473 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000752449572 680243135 /nfs/dbraw/zinc/24/31/35/680243135.db2.gz YVKJSIMXHCEPHY-CYBMUJFWSA-N 1 0 370.427 2.030 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC12CCOCC2 ZINC000834854288 680277722 /nfs/dbraw/zinc/27/77/22/680277722.db2.gz UVTHWNHDADPZFS-LBPRGKRZSA-N 1 0 353.806 2.076 20 5 FEBDRO O=C1[C@@H]([NH2+][C@H](CCO)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000754394074 680353948 /nfs/dbraw/zinc/35/39/48/680353948.db2.gz HITXZBKWOJVTPV-CABCVRRESA-N 1 0 361.423 2.475 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000755776902 680435147 /nfs/dbraw/zinc/43/51/47/680435147.db2.gz AGYDLMUNGYJLON-CQSZACIVSA-N 1 0 352.387 2.117 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000836746821 680506822 /nfs/dbraw/zinc/50/68/22/680506822.db2.gz ZSUHBXGEDNNLAL-UHFFFAOYSA-N 1 0 368.865 2.312 20 5 FEBDRO CC[C@@H](CO)N1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836778867 680512952 /nfs/dbraw/zinc/51/29/52/680512952.db2.gz KIJZHRRCERYSPI-LBPRGKRZSA-N 1 0 355.822 2.085 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000758267217 680567024 /nfs/dbraw/zinc/56/70/24/680567024.db2.gz XCKBCYYTTHPFAA-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160272 680866657 /nfs/dbraw/zinc/86/66/57/680866657.db2.gz BIBGUKUUFQGHJT-LDYMZIIASA-N 1 0 357.208 2.477 20 5 FEBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000841176683 680867564 /nfs/dbraw/zinc/86/75/64/680867564.db2.gz MXZCLVXNRBDQHC-ZDUSSCGKSA-N 1 0 368.821 2.211 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000841335947 680873694 /nfs/dbraw/zinc/87/36/94/680873694.db2.gz XXQBCSXJUXSTMG-SNVBAGLBSA-N 1 0 354.716 2.327 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc([N+](=O)[O-])c1F ZINC000842703208 680960698 /nfs/dbraw/zinc/96/06/98/680960698.db2.gz XCROJIKJXGSGOI-UHFFFAOYSA-N 1 0 367.402 2.022 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000842824665 680969798 /nfs/dbraw/zinc/96/97/98/680969798.db2.gz DNIKTXXYDCJDIH-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](CCCCO)CC1 ZINC000769396083 680980901 /nfs/dbraw/zinc/98/09/01/680980901.db2.gz VWGOYFLGARWKAG-UHFFFAOYSA-N 1 0 372.263 2.247 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000843796549 681018879 /nfs/dbraw/zinc/01/88/79/681018879.db2.gz NNYWWHRFXVUVFL-UHFFFAOYSA-N 1 0 353.394 2.225 20 5 FEBDRO Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001050325696 681045253 /nfs/dbraw/zinc/04/52/53/681045253.db2.gz LDVQTGWIMIWBDR-DTZQCDIJSA-N 1 0 351.472 2.486 20 5 FEBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000771505119 681057677 /nfs/dbraw/zinc/05/76/77/681057677.db2.gz WPXAKRWYJSPSJV-LLVKDONJSA-N 1 0 363.443 2.450 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846204821 681200531 /nfs/dbraw/zinc/20/05/31/681200531.db2.gz CSEOOHNQUBOVGI-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000846647681 681272074 /nfs/dbraw/zinc/27/20/74/681272074.db2.gz OBFBOEVRXMMKME-UHFFFAOYSA-N 1 0 358.192 2.113 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000848495822 681561854 /nfs/dbraw/zinc/56/18/54/681561854.db2.gz PRVPGMBVFZERRH-UHFFFAOYSA-N 1 0 360.256 2.318 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC000934384037 681562253 /nfs/dbraw/zinc/56/22/53/681562253.db2.gz BGDPFEUYKCKBSL-HNNXBMFYSA-N 1 0 354.428 2.060 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[NH+](C)C ZINC000849429660 681731244 /nfs/dbraw/zinc/73/12/44/681731244.db2.gz STCXCTOEQRRXMZ-QMMMGPOBSA-N 1 0 353.803 2.006 20 5 FEBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913276242 685474978 /nfs/dbraw/zinc/47/49/78/685474978.db2.gz YBFRKBVOZHJNPW-IYBDPMFKSA-N 1 0 352.822 2.244 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000780868638 681880206 /nfs/dbraw/zinc/88/02/06/681880206.db2.gz XXEVBCUQXNFUIT-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CC[C@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000914226980 685499764 /nfs/dbraw/zinc/49/97/64/685499764.db2.gz DPJWLKCHVVBXDE-IRXDYDNUSA-N 1 0 367.471 2.451 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000915297526 685514084 /nfs/dbraw/zinc/51/40/84/685514084.db2.gz PBYAZPGVJYQHIM-NWDGAFQWSA-N 1 0 350.375 2.496 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000784822375 682254434 /nfs/dbraw/zinc/25/44/34/682254434.db2.gz UUQWXTARDIEIJZ-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO COC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852321193 682260058 /nfs/dbraw/zinc/26/00/58/682260058.db2.gz JUJLXRSVEAYOCH-CQSZACIVSA-N 1 0 371.821 2.218 20 5 FEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000852320949 682260226 /nfs/dbraw/zinc/26/02/26/682260226.db2.gz HUVYXWAIIDFXRW-CQSZACIVSA-N 1 0 371.821 2.218 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000785383795 682292053 /nfs/dbraw/zinc/29/20/53/682292053.db2.gz DJBGCZFMRMTLQP-LBPRGKRZSA-N 1 0 368.821 2.176 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000785386034 682292379 /nfs/dbraw/zinc/29/23/79/682292379.db2.gz QGRUFZAFROTPFL-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO COC(=O)N(C)CCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000852569567 682300947 /nfs/dbraw/zinc/30/09/47/682300947.db2.gz AVFXVZBZACJMNB-JTQLQIEISA-N 1 0 372.809 2.205 20 5 FEBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584643 682304875 /nfs/dbraw/zinc/30/48/75/682304875.db2.gz PJKTVMJCRTXPRT-FZZIBODNSA-N 1 0 353.806 2.468 20 5 FEBDRO COc1cccc(COCC(=[NH2+])NOCc2onc(C)c2[N+](=O)[O-])c1 ZINC000853660126 682453389 /nfs/dbraw/zinc/45/33/89/682453389.db2.gz UBJHMDPYAIGWSJ-UHFFFAOYSA-N 1 0 350.331 2.115 20 5 FEBDRO C[NH+](C)C1(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000854392323 682545412 /nfs/dbraw/zinc/54/54/12/682545412.db2.gz ZNTAAKZGMQCHHI-UHFFFAOYSA-N 1 0 368.231 2.336 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000854412284 682547804 /nfs/dbraw/zinc/54/78/04/682547804.db2.gz FNAMOCSSQYDPNA-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCN(C)CCC[NH+](C)C)cc1Cl ZINC000855417454 682667927 /nfs/dbraw/zinc/66/79/27/682667927.db2.gz GZRVDTARWSBZMW-UHFFFAOYSA-N 1 0 356.854 2.170 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000791382481 682739518 /nfs/dbraw/zinc/73/95/18/682739518.db2.gz ZIDVGJBHTDZRHC-VXGBXAGGSA-N 1 0 352.410 2.403 20 5 FEBDRO CNc1c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793146274 682867250 /nfs/dbraw/zinc/86/72/50/682867250.db2.gz FMYOXSOFLROVTJ-ZDUSSCGKSA-N 1 0 351.403 2.150 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000926151469 683083687 /nfs/dbraw/zinc/08/36/87/683083687.db2.gz WFMBOFVLZDYAFC-WMLDXEAASA-N 1 0 368.455 2.163 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)C1 ZINC000859411864 683104263 /nfs/dbraw/zinc/10/42/63/683104263.db2.gz OOZOAGQQSVTTTD-CYBMUJFWSA-N 1 0 366.849 2.100 20 5 FEBDRO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000796303167 683151065 /nfs/dbraw/zinc/15/10/65/683151065.db2.gz HLKVMZSEHSMHHX-CQSZACIVSA-N 1 0 362.304 2.401 20 5 FEBDRO CCO[C@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000921839425 683586741 /nfs/dbraw/zinc/58/67/41/683586741.db2.gz YDXMYTITLBYFKD-CQSZACIVSA-N 1 0 372.853 2.057 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000862628988 683610579 /nfs/dbraw/zinc/61/05/79/683610579.db2.gz LSFPRSPZGFCUDA-GFCCVEGCSA-N 1 0 350.394 2.453 20 5 FEBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000865440174 683983281 /nfs/dbraw/zinc/98/32/81/683983281.db2.gz KUWGIZBFFATIEH-CQSZACIVSA-N 1 0 353.394 2.282 20 5 FEBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1F ZINC000865545524 683996395 /nfs/dbraw/zinc/99/63/95/683996395.db2.gz AVZAVDOSCDFRJL-GFCCVEGCSA-N 1 0 353.394 2.139 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1F ZINC000867268357 684235432 /nfs/dbraw/zinc/23/54/32/684235432.db2.gz RJTCWBVUFUUSEC-JSGCOSHPSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923444076 684281911 /nfs/dbraw/zinc/28/19/11/684281911.db2.gz QXOZNCVCIDUUKA-JHJVBQTASA-N 1 0 350.419 2.003 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923537782 684301137 /nfs/dbraw/zinc/30/11/37/684301137.db2.gz XYVXTEORMWSVRM-MRXNPFEDSA-N 1 0 352.822 2.405 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923734770 684342326 /nfs/dbraw/zinc/34/23/26/684342326.db2.gz PHQWHQPRXNGTTD-MRXNPFEDSA-N 1 0 353.444 2.064 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000867698183 684354503 /nfs/dbraw/zinc/35/45/03/684354503.db2.gz SKBXFVLPPSQEPI-UHFFFAOYSA-N 1 0 368.231 2.206 20 5 FEBDRO C[C@@H]1[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000924009057 684387629 /nfs/dbraw/zinc/38/76/29/684387629.db2.gz SLJGGJRLFAHWMM-SKDRFNHKSA-N 1 0 371.235 2.249 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924798205 684494101 /nfs/dbraw/zinc/49/41/01/684494101.db2.gz LPDNTBTZCZRKKM-QWHCGFSZSA-N 1 0 355.460 2.306 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000872031784 684916251 /nfs/dbraw/zinc/91/62/51/684916251.db2.gz MRCKOGUOMBMSTC-ZDUSSCGKSA-N 1 0 366.487 2.131 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C2 ZINC000872265946 684933277 /nfs/dbraw/zinc/93/32/77/684933277.db2.gz ZAGRHEBGNFMKMA-IYBDPMFKSA-N 1 0 355.797 2.388 20 5 FEBDRO O=C1N(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720211 685008535 /nfs/dbraw/zinc/00/85/35/685008535.db2.gz JSYIGMYEOMDFCW-ZIAGYGMSSA-N 1 0 362.455 2.479 20 5 FEBDRO Cc1c(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)cccc1[N+](=O)[O-] ZINC000873020184 685051450 /nfs/dbraw/zinc/05/14/50/685051450.db2.gz IMYVBGWWVKGFLA-KRWDZBQOSA-N 1 0 351.472 2.201 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C3CCC2(C[NH3+])CC3)cc1SC ZINC000877189695 686337761 /nfs/dbraw/zinc/33/77/61/686337761.db2.gz RPEKZKCCLYZWES-UHFFFAOYSA-N 1 0 351.428 2.421 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877278053 686347757 /nfs/dbraw/zinc/34/77/57/686347757.db2.gz KOTCFUGVUQYZNZ-OLZOCXBDSA-N 1 0 353.806 2.370 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877278055 686347839 /nfs/dbraw/zinc/34/78/39/686347839.db2.gz KOTCFUGVUQYZNZ-STQMWFEESA-N 1 0 353.806 2.370 20 5 FEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1 ZINC000877501137 686392811 /nfs/dbraw/zinc/39/28/11/686392811.db2.gz JHLBGAIWEDARBL-UHFFFAOYSA-N 1 0 362.451 2.384 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320616 686794820 /nfs/dbraw/zinc/79/48/20/686794820.db2.gz HXYRZBHBXVYTDA-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000879575054 686860170 /nfs/dbraw/zinc/86/01/70/686860170.db2.gz ILCZEUOIKSWDFM-NHYWBVRUSA-N 1 0 352.822 2.213 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000879593437 686865586 /nfs/dbraw/zinc/86/55/86/686865586.db2.gz ZCRLFCSVKFHULM-UHFFFAOYSA-N 1 0 352.866 2.460 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882769328 687480664 /nfs/dbraw/zinc/48/06/64/687480664.db2.gz QXGVOYSWEDTLIG-UHFFFAOYSA-N 1 0 367.471 2.406 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478477 687642809 /nfs/dbraw/zinc/64/28/09/687642809.db2.gz LARUFDGMIRSYIS-UHFFFAOYSA-N 1 0 373.862 2.463 20 5 FEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000884355995 687855093 /nfs/dbraw/zinc/85/50/93/687855093.db2.gz VPGCSOFTMOOZRE-UWVGGRQHSA-N 1 0 360.183 2.352 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884954313 687973091 /nfs/dbraw/zinc/97/30/91/687973091.db2.gz CBUKGNJGJZDYLE-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958130 687974678 /nfs/dbraw/zinc/97/46/78/687974678.db2.gz ZLCMXNCRFCRWTF-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885455109 688076755 /nfs/dbraw/zinc/07/67/55/688076755.db2.gz FIEAVMLCMFZWON-OLZOCXBDSA-N 1 0 373.862 2.496 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885859418 688170996 /nfs/dbraw/zinc/17/09/96/688170996.db2.gz ZSXXZSICLHELAB-OAHLLOKOSA-N 1 0 365.455 2.056 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000885892883 688179746 /nfs/dbraw/zinc/17/97/46/688179746.db2.gz FSYWFIIDFKTVRA-GFCCVEGCSA-N 1 0 371.796 2.370 20 5 FEBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000886908578 688338846 /nfs/dbraw/zinc/33/88/46/688338846.db2.gz VNMWDYYVVLTHRE-ZFWWWQNUSA-N 1 0 354.403 2.013 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892090115 689148439 /nfs/dbraw/zinc/14/84/39/689148439.db2.gz DEPKWXBVFPNFQD-CABZTGNLSA-N 1 0 371.235 2.155 20 5 FEBDRO COC(=O)[C@H]1[C@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(F)F ZINC000894785845 689595892 /nfs/dbraw/zinc/59/58/92/689595892.db2.gz CJHQMIZGQZHONU-GXTWGEPZSA-N 1 0 353.325 2.263 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000519571799 690223555 /nfs/dbraw/zinc/22/35/55/690223555.db2.gz LDCHERHXUUTPQR-UHFFFAOYSA-N 1 0 368.459 2.324 20 5 FEBDRO [NH3+]CCCCc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595833 690536432 /nfs/dbraw/zinc/53/64/32/690536432.db2.gz RANKLDMQJWXUIZ-UHFFFAOYSA-N 1 0 354.208 2.279 20 5 FEBDRO COCC[C@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000903840455 690977893 /nfs/dbraw/zinc/97/78/93/690977893.db2.gz QUAHQFMATFBVMW-ZDUSSCGKSA-N 1 0 358.236 2.168 20 5 FEBDRO COc1cc(CN[C@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000904461234 691029885 /nfs/dbraw/zinc/02/98/85/691029885.db2.gz FWQULUUKJIFCAW-AWEZNQCLSA-N 1 0 359.373 2.335 20 5 FEBDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)O2)[C@H]1C ZINC000905488801 691125083 /nfs/dbraw/zinc/12/50/83/691125083.db2.gz XNSYZXIZDMYWEY-LFYPYMNQSA-N 1 0 350.415 2.190 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906596199 691289537 /nfs/dbraw/zinc/28/95/37/691289537.db2.gz CRSREVFXDVEEES-AWEZNQCLSA-N 1 0 369.849 2.408 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000907519626 691508189 /nfs/dbraw/zinc/50/81/89/691508189.db2.gz QRTWBIGFMCIOSB-OLZOCXBDSA-N 1 0 369.849 2.094 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1(C)C ZINC000908002262 691596092 /nfs/dbraw/zinc/59/60/92/691596092.db2.gz POKVPNAAWCTNCC-UHFFFAOYSA-N 1 0 372.828 2.143 20 5 FEBDRO Cc1cc(F)cc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000908598054 691703524 /nfs/dbraw/zinc/70/35/24/691703524.db2.gz QUWHEJSZCIGEQR-UHFFFAOYSA-N 1 0 353.394 2.007 20 5 FEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001164729952 720506207 /nfs/dbraw/zinc/50/62/07/720506207.db2.gz KZAFJGPIGCZEJM-LLVKDONJSA-N 1 0 350.810 2.038 20 5 FEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@@H]2C ZINC001164858987 720975239 /nfs/dbraw/zinc/97/52/39/720975239.db2.gz JSWFZLZYYTYSCD-GFCCVEGCSA-N 1 0 359.434 2.190 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984081 722105846 /nfs/dbraw/zinc/10/58/46/722105846.db2.gz RRDHSUWDEIFYLA-SJORKVTESA-N 1 0 369.425 2.112 20 5 FEBDRO C[NH+]1CCC(n2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)n2)CC1 ZINC000489973146 860214198 /nfs/dbraw/zinc/21/41/98/860214198.db2.gz RSLVWTGOFCWPGZ-UHFFFAOYSA-N 1 0 361.377 2.378 20 5 FEBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000800191020 674031714 /nfs/dbraw/zinc/03/17/14/674031714.db2.gz SWWDPZFOOBIXNZ-UHFFFAOYSA-N 1 0 354.428 2.322 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000014327686 539601703 /nfs/dbraw/zinc/60/17/03/539601703.db2.gz MRXIQZXWDHSFTQ-UHFFFAOYSA-N 1 0 350.375 2.342 20 5 FEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000026620967 539790534 /nfs/dbraw/zinc/79/05/34/539790534.db2.gz CAOYAICEUCRTTN-UHFFFAOYSA-N 1 0 357.414 2.246 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000030008844 539872323 /nfs/dbraw/zinc/87/23/23/539872323.db2.gz FLCHKSZNVFNVST-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000032268975 539933381 /nfs/dbraw/zinc/93/33/81/539933381.db2.gz XRFWJWZPZIOQBE-CYBMUJFWSA-N 1 0 367.471 2.403 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032664516 539946907 /nfs/dbraw/zinc/94/69/07/539946907.db2.gz HAYDCSGPOCJDTL-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041729107 540030947 /nfs/dbraw/zinc/03/09/47/540030947.db2.gz VJWSXTUNRBOIRJ-ZIAGYGMSSA-N 1 0 362.430 2.018 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045134107 540204684 /nfs/dbraw/zinc/20/46/84/540204684.db2.gz JXIUBUKXTDOYOY-UHFFFAOYSA-N 1 0 373.457 2.053 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000045798364 540228784 /nfs/dbraw/zinc/22/87/84/540228784.db2.gz PBRSOVYFDUHAPO-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 ZINC000046447817 540257691 /nfs/dbraw/zinc/25/76/91/540257691.db2.gz NUTHCZAJMAIKJG-UHFFFAOYSA-N 1 0 372.425 2.438 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000046996834 540283647 /nfs/dbraw/zinc/28/36/47/540283647.db2.gz NSDWNZOHWQGDKJ-ZIAGYGMSSA-N 1 0 363.414 2.359 20 5 FEBDRO O=C(NCC[NH+]1CCCC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000047839497 540330627 /nfs/dbraw/zinc/33/06/27/540330627.db2.gz DHLNJPGEJOHRGY-UHFFFAOYSA-N 1 0 361.320 2.362 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000047920008 540334359 /nfs/dbraw/zinc/33/43/59/540334359.db2.gz GJPGHKWWODGWGE-ZDUSSCGKSA-N 1 0 363.414 2.233 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000052660702 540480259 /nfs/dbraw/zinc/48/02/59/540480259.db2.gz YQEYTWHNJDGEOM-CQSZACIVSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[NH+]1CCC(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000053140010 540512852 /nfs/dbraw/zinc/51/28/52/540512852.db2.gz IQEVLQYUFMIMLN-UHFFFAOYSA-N 1 0 357.414 2.209 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](CC2CC2)CC1 ZINC000055668611 540669136 /nfs/dbraw/zinc/66/91/36/540669136.db2.gz VMUIHYMXVWZQFL-UHFFFAOYSA-N 1 0 372.469 2.365 20 5 FEBDRO CC[C@@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC000538823447 540895630 /nfs/dbraw/zinc/89/56/30/540895630.db2.gz YHFXCBZZDRWMSP-INIZCTEOSA-N 1 0 374.445 2.187 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)COc2ccccc2[N+](=O)[O-])o1 ZINC000060407614 541111104 /nfs/dbraw/zinc/11/11/04/541111104.db2.gz NGIIEBIPTQMLLR-UHFFFAOYSA-N 1 0 361.398 2.465 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[NH+]2CCCC2)cc1 ZINC000061502649 541131538 /nfs/dbraw/zinc/13/15/38/541131538.db2.gz RYUHYCUISBUESJ-INIZCTEOSA-N 1 0 357.414 2.053 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000065716617 541254591 /nfs/dbraw/zinc/25/45/91/541254591.db2.gz GITWZFLRAVNGHO-CQSZACIVSA-N 1 0 361.402 2.036 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000065954122 541273823 /nfs/dbraw/zinc/27/38/23/541273823.db2.gz PHLCDTRMTMUHPL-UHFFFAOYSA-N 1 0 358.398 2.328 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000065954009 541274077 /nfs/dbraw/zinc/27/40/77/541274077.db2.gz WRIQNWKVCSHBEI-UHFFFAOYSA-N 1 0 374.397 2.164 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000066270045 541296734 /nfs/dbraw/zinc/29/67/34/541296734.db2.gz JVYGCYPOOZIOBF-MRXNPFEDSA-N 1 0 371.393 2.399 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066105793 541282475 /nfs/dbraw/zinc/28/24/75/541282475.db2.gz QFOCRANUWXBGBK-HNNXBMFYSA-N 1 0 353.444 2.016 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066395960 541313375 /nfs/dbraw/zinc/31/33/75/541313375.db2.gz RUNOYLIUNVOTNA-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000066484011 541325965 /nfs/dbraw/zinc/32/59/65/541325965.db2.gz WWFABPZQJZYPJZ-ROUUACIJSA-N 1 0 352.431 2.362 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067764257 541510282 /nfs/dbraw/zinc/51/02/82/541510282.db2.gz KLIVQXIRWFPWTA-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000068024542 541539448 /nfs/dbraw/zinc/53/94/48/541539448.db2.gz LWWXEDJSQXURSO-OAHLLOKOSA-N 1 0 374.466 2.375 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000068320762 541576921 /nfs/dbraw/zinc/57/69/21/541576921.db2.gz SEUVCGHSSYOSEY-CYBMUJFWSA-N 1 0 372.491 2.377 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070883580 541748597 /nfs/dbraw/zinc/74/85/97/541748597.db2.gz RKAJHNRNHPTTIF-UHFFFAOYSA-N 1 0 363.414 2.362 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000072716473 541855756 /nfs/dbraw/zinc/85/57/56/541855756.db2.gz WIZLWCFJDZIEHW-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072833996 541877318 /nfs/dbraw/zinc/87/73/18/541877318.db2.gz RHAYYYNCQVYICP-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072835635 541877390 /nfs/dbraw/zinc/87/73/90/541877390.db2.gz CFHUPYKHXDWQCJ-ZFWWWQNUSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)ncc1[N+](=O)[O-] ZINC000074748041 542117505 /nfs/dbraw/zinc/11/75/05/542117505.db2.gz KIFXEKQOHPQMBJ-UHFFFAOYSA-N 1 0 371.445 2.103 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076660762 542308720 /nfs/dbraw/zinc/30/87/20/542308720.db2.gz BRHIOSZLPNAMQT-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000076901600 542328484 /nfs/dbraw/zinc/32/84/84/542328484.db2.gz VEWFMTDUTUDEPY-UHFFFAOYSA-N 1 0 355.398 2.088 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000077005923 542342368 /nfs/dbraw/zinc/34/23/68/542342368.db2.gz JIFMDNUVOFTTOI-HNNXBMFYSA-N 1 0 355.822 2.071 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000077451312 542382993 /nfs/dbraw/zinc/38/29/93/542382993.db2.gz FMBXTIFUIOYZOC-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 ZINC000078262986 542450799 /nfs/dbraw/zinc/45/07/99/542450799.db2.gz OBBSLJWOCVDGNQ-AWEZNQCLSA-N 1 0 370.400 2.412 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078584031 542469041 /nfs/dbraw/zinc/46/90/41/542469041.db2.gz LTUUWMCKLQSZRM-AWEZNQCLSA-N 1 0 371.441 2.337 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801913409 674154815 /nfs/dbraw/zinc/15/48/15/674154815.db2.gz DOEIRMWHPFWEPS-LBPRGKRZSA-N 1 0 350.394 2.120 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000247419293 549331822 /nfs/dbraw/zinc/33/18/22/549331822.db2.gz NUTRKTIXJRMTJV-WBMJQRKESA-N 1 0 363.443 2.052 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000802131864 674162356 /nfs/dbraw/zinc/16/23/56/674162356.db2.gz PKRWYLUUEFKCHQ-AWEZNQCLSA-N 1 0 351.403 2.049 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962530 542779589 /nfs/dbraw/zinc/77/95/89/542779589.db2.gz ZECJZEZROZWMNX-IRXDYDNUSA-N 1 0 369.421 2.268 20 5 FEBDRO COc1cc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000091453679 542808562 /nfs/dbraw/zinc/80/85/62/542808562.db2.gz QPRQYHIRMZSGEU-GFCCVEGCSA-N 1 0 353.394 2.432 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000092759394 542885860 /nfs/dbraw/zinc/88/58/60/542885860.db2.gz MUNCVHCBDNUZIW-UHFFFAOYSA-N 1 0 371.441 2.279 20 5 FEBDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000102648593 543076089 /nfs/dbraw/zinc/07/60/89/543076089.db2.gz QSUOGHTUGYDLNQ-BETUJISGSA-N 1 0 351.403 2.149 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000103092503 543092067 /nfs/dbraw/zinc/09/20/67/543092067.db2.gz SRPZOANSBRELGY-HNNXBMFYSA-N 1 0 363.462 2.365 20 5 FEBDRO COc1cc(OCC(=O)N2CCN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000103410687 543105423 /nfs/dbraw/zinc/10/54/23/543105423.db2.gz PQNGCEOGZMUDOL-UHFFFAOYSA-N 1 0 371.393 2.461 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104532393 543133881 /nfs/dbraw/zinc/13/38/81/543133881.db2.gz XQNPMWQLWGGUOO-CQSZACIVSA-N 1 0 360.414 2.259 20 5 FEBDRO COc1cc(CN(C)[C@@H]2CCCCNC2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000105614072 543178129 /nfs/dbraw/zinc/17/81/29/543178129.db2.gz FAMKLOCMHZWVFQ-LLVKDONJSA-N 1 0 373.356 2.305 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106097871 543195161 /nfs/dbraw/zinc/19/51/61/543195161.db2.gz BQKKXQNWMJQSKH-LSDHHAIUSA-N 1 0 374.441 2.179 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106791205 543247507 /nfs/dbraw/zinc/24/75/07/543247507.db2.gz ZMHKRRJPFGEMHR-LBPRGKRZSA-N 1 0 351.378 2.246 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891632 543252944 /nfs/dbraw/zinc/25/29/44/543252944.db2.gz USCBXRCQOHLSIL-CQSZACIVSA-N 1 0 367.471 2.452 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000106938521 543257192 /nfs/dbraw/zinc/25/71/92/543257192.db2.gz QLWYTEHOHISSCA-HNNXBMFYSA-N 1 0 361.446 2.147 20 5 FEBDRO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108784124 543302496 /nfs/dbraw/zinc/30/24/96/543302496.db2.gz DOKOXVFPTKYJHS-ZDUSSCGKSA-N 1 0 369.425 2.209 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000110870291 543371250 /nfs/dbraw/zinc/37/12/50/543371250.db2.gz IOJMDKPICUGVOI-UHFFFAOYSA-N 1 0 359.430 2.256 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112560655 543452528 /nfs/dbraw/zinc/45/25/28/543452528.db2.gz WGSOUKUMBXSNRH-UHFFFAOYSA-N 1 0 368.865 2.346 20 5 FEBDRO COc1cc(OCC(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000112924995 543469092 /nfs/dbraw/zinc/46/90/92/543469092.db2.gz QAZYHWFJEBQUCL-UHFFFAOYSA-N 1 0 365.430 2.173 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1C ZINC000115585879 543575816 /nfs/dbraw/zinc/57/58/16/543575816.db2.gz VKQRQUJFNNAXEZ-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000115717077 543583407 /nfs/dbraw/zinc/58/34/07/543583407.db2.gz DXEJZOOMUCCUGY-UHFFFAOYSA-N 1 0 362.411 2.151 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372141 543607773 /nfs/dbraw/zinc/60/77/73/543607773.db2.gz CGMPMHSKKFHDAZ-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123304943 543753930 /nfs/dbraw/zinc/75/39/30/543753930.db2.gz OOMYRBMSYSXDSM-ZDUSSCGKSA-N 1 0 363.439 2.396 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124841334 543845999 /nfs/dbraw/zinc/84/59/99/543845999.db2.gz DBPPFELFYLGBLR-LBPRGKRZSA-N 1 0 361.489 2.317 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1SC ZINC000127258210 543980910 /nfs/dbraw/zinc/98/09/10/543980910.db2.gz DPEMAWFHIONCJO-PHIMTYICSA-N 1 0 353.444 2.490 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000128665882 544065669 /nfs/dbraw/zinc/06/56/69/544065669.db2.gz SOWNSCSAZDABEN-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128522108 544057180 /nfs/dbraw/zinc/05/71/80/544057180.db2.gz KHKULOYRTLHOJD-MRXNPFEDSA-N 1 0 362.430 2.160 20 5 FEBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000131501479 544192393 /nfs/dbraw/zinc/19/23/93/544192393.db2.gz DPXVIROJRGYQQB-UHFFFAOYSA-N 1 0 357.414 2.302 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000131796123 544207077 /nfs/dbraw/zinc/20/70/77/544207077.db2.gz WEYJTVOTZWSRGR-PBHICJAKSA-N 1 0 371.441 2.127 20 5 FEBDRO COc1ccc(OCC[NH2+][C@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000132261637 544224761 /nfs/dbraw/zinc/22/47/61/544224761.db2.gz ONPLFMMLLASWNC-IBGZPJMESA-N 1 0 358.394 2.406 20 5 FEBDRO NC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328325 /nfs/dbraw/zinc/32/83/25/544328325.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 1 0 358.442 2.142 20 5 FEBDRO CS(=O)(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135238534 544338732 /nfs/dbraw/zinc/33/87/32/544338732.db2.gz ZHBOQISZLNDXQE-AWEZNQCLSA-N 1 0 367.471 2.231 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135715204 544359298 /nfs/dbraw/zinc/35/92/98/544359298.db2.gz DJWBDHHENZYQBC-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137585600 544391801 /nfs/dbraw/zinc/39/18/01/544391801.db2.gz WGEQHYCEXGHMBN-ZDUSSCGKSA-N 1 0 367.471 2.405 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136548577 544374345 /nfs/dbraw/zinc/37/43/45/544374345.db2.gz KCEMGYQVJMMNBH-STQMWFEESA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1C ZINC000247525065 549350154 /nfs/dbraw/zinc/35/01/54/549350154.db2.gz OLRRIKOLSCPOKV-GOEBONIOSA-N 1 0 367.471 2.316 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152938972 544714558 /nfs/dbraw/zinc/71/45/58/544714558.db2.gz IZMIMAWVNWPPTL-CHWSQXEVSA-N 1 0 351.403 2.167 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000153374451 544767642 /nfs/dbraw/zinc/76/76/42/544767642.db2.gz RHJFVEAACUYWEE-CQSZACIVSA-N 1 0 353.444 2.031 20 5 FEBDRO Cn1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000153797067 544824668 /nfs/dbraw/zinc/82/46/68/544824668.db2.gz KBCVVDVEVDDKKE-QMMMGPOBSA-N 1 0 354.823 2.390 20 5 FEBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154319852 544890117 /nfs/dbraw/zinc/89/01/17/544890117.db2.gz DRLSLUSFRVWYSN-UHFFFAOYSA-N 1 0 361.851 2.104 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000154273827 544884774 /nfs/dbraw/zinc/88/47/74/544884774.db2.gz IDQQUFQJTGPWAP-OAHLLOKOSA-N 1 0 364.352 2.488 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154966010 544971545 /nfs/dbraw/zinc/97/15/45/544971545.db2.gz JFENZHMZAPTTKF-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)CCCC2)CC1 ZINC000552893699 674229168 /nfs/dbraw/zinc/22/91/68/674229168.db2.gz OPCYTQMHTYFRDN-UHFFFAOYSA-N 1 0 350.419 2.076 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000181177488 327719360 /nfs/dbraw/zinc/71/93/60/327719360.db2.gz DAPZQDUEIPCZTC-UHFFFAOYSA-N 1 0 369.328 2.207 20 5 FEBDRO Cc1cc(N2CCc3nn(C)c(=O)cc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181515665 327733879 /nfs/dbraw/zinc/73/38/79/327733879.db2.gz DWNQGFCSDCCURX-UHFFFAOYSA-N 1 0 351.366 2.108 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000183051105 327798988 /nfs/dbraw/zinc/79/89/88/327798988.db2.gz INFVKOCFOAMFRP-VMEIHUARSA-N 1 0 359.426 2.179 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183346603 327812733 /nfs/dbraw/zinc/81/27/33/327812733.db2.gz VIVYUTJWAKXMTI-NSHDSACASA-N 1 0 361.402 2.325 20 5 FEBDRO CCC(CC)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000183747094 327833670 /nfs/dbraw/zinc/83/36/70/327833670.db2.gz RVQWLGDJZJZXFT-ZDUSSCGKSA-N 1 0 358.464 2.021 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000804354488 674281989 /nfs/dbraw/zinc/28/19/89/674281989.db2.gz XCFCGLGMTGWITH-UHFFFAOYSA-N 1 0 350.375 2.052 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000184522383 327871489 /nfs/dbraw/zinc/87/14/89/327871489.db2.gz VSOZGNBAJOMDSB-MRXNPFEDSA-N 1 0 367.471 2.375 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000185538940 327921366 /nfs/dbraw/zinc/92/13/66/327921366.db2.gz YQTQXOBMYWOCNN-YEWWUXTCSA-N 1 0 358.394 2.489 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000186943980 327992364 /nfs/dbraw/zinc/99/23/64/327992364.db2.gz YGHPENXCZXHXHG-ZEGGKSINSA-N 1 0 354.204 2.167 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187332566 328017427 /nfs/dbraw/zinc/01/74/27/328017427.db2.gz PQVAWLACGGITJS-MRXNPFEDSA-N 1 0 352.431 2.352 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000187627672 328036723 /nfs/dbraw/zinc/03/67/23/328036723.db2.gz APWNDNUQTJIHSK-KBPBESRZSA-N 1 0 364.446 2.142 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000188228243 328074489 /nfs/dbraw/zinc/07/44/89/328074489.db2.gz ZOYXHHVRZOJCHP-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000188897588 328116378 /nfs/dbraw/zinc/11/63/78/328116378.db2.gz GWPGQTVHOWVKHN-LBPRGKRZSA-N 1 0 373.400 2.473 20 5 FEBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCOCC1 ZINC000189756433 328166257 /nfs/dbraw/zinc/16/62/57/328166257.db2.gz GOFQMNOJXLUMIA-UHFFFAOYSA-N 1 0 361.398 2.266 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000189973024 328179857 /nfs/dbraw/zinc/17/98/57/328179857.db2.gz QLDLHHZEIHRUFF-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccs2)n1 ZINC000191662301 328276227 /nfs/dbraw/zinc/27/62/27/328276227.db2.gz UAPXSNQALYAZKG-UHFFFAOYSA-N 1 0 351.432 2.077 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191677018 328276860 /nfs/dbraw/zinc/27/68/60/328276860.db2.gz KKLIJYJPEJQYQQ-ACJLOTCBSA-N 1 0 369.425 2.212 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000191761964 328280444 /nfs/dbraw/zinc/28/04/44/328280444.db2.gz ODTLNKYQFPZFKS-UHFFFAOYSA-N 1 0 357.414 2.159 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000191783573 328281566 /nfs/dbraw/zinc/28/15/66/328281566.db2.gz CWSCIDOLBUHJBY-CHWSQXEVSA-N 1 0 351.451 2.298 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191793750 328282261 /nfs/dbraw/zinc/28/22/61/328282261.db2.gz XJPVCBQBWBJAOX-TZMCWYRMSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000192459071 328320128 /nfs/dbraw/zinc/32/01/28/328320128.db2.gz ZFBCKMKUNMRKQB-QGZVFWFLSA-N 1 0 369.421 2.400 20 5 FEBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000193268979 328366295 /nfs/dbraw/zinc/36/62/95/328366295.db2.gz KAAIDMLXBOZWPF-UHFFFAOYSA-N 1 0 361.851 2.177 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1[N+](=O)[O-] ZINC000193307962 328368158 /nfs/dbraw/zinc/36/81/58/328368158.db2.gz DQCREOJVMGHNPX-PBWFPOADSA-N 1 0 353.444 2.115 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193516903 328379659 /nfs/dbraw/zinc/37/96/59/328379659.db2.gz RSFDRVGPMHMUFL-IBGZPJMESA-N 1 0 356.426 2.250 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000193691970 328389832 /nfs/dbraw/zinc/38/98/32/328389832.db2.gz FSMALCGSHACQAR-IUODEOHRSA-N 1 0 356.382 2.088 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193919803 328402189 /nfs/dbraw/zinc/40/21/89/328402189.db2.gz LFQMDGOLKKLOKF-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000193980561 328405132 /nfs/dbraw/zinc/40/51/32/328405132.db2.gz DQXFFKDADASQIP-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000077667175 325003190 /nfs/dbraw/zinc/00/31/90/325003190.db2.gz WNIGOEAKWMDNER-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CCC[NH+]1CCC(N(C)c2nccc(C(=O)OCC)c2[N+](=O)[O-])CC1 ZINC000077939988 325026664 /nfs/dbraw/zinc/02/66/64/325026664.db2.gz FXMRQFYCGQSWCF-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000079045900 325073960 /nfs/dbraw/zinc/07/39/60/325073960.db2.gz FSBSIKVVKWSPCL-OAHLLOKOSA-N 1 0 367.471 2.293 20 5 FEBDRO CN(CC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000079437519 325090739 /nfs/dbraw/zinc/09/07/39/325090739.db2.gz KNMKPOATVHKSAF-UHFFFAOYSA-N 1 0 356.426 2.409 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080125856 325118689 /nfs/dbraw/zinc/11/86/89/325118689.db2.gz KPNUWBJZFYMIJV-MRXNPFEDSA-N 1 0 364.446 2.240 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000081333612 325170687 /nfs/dbraw/zinc/17/06/87/325170687.db2.gz FBCXEOXUSGEQOX-GFCCVEGCSA-N 1 0 350.375 2.307 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000081363120 325171944 /nfs/dbraw/zinc/17/19/44/325171944.db2.gz LHKFPXGPGDKKMA-GFCCVEGCSA-N 1 0 350.375 2.307 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081569691 325184353 /nfs/dbraw/zinc/18/43/53/325184353.db2.gz CDUHAXAXZSRNRQ-OAHLLOKOSA-N 1 0 360.458 2.148 20 5 FEBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087001198 325269314 /nfs/dbraw/zinc/26/93/14/325269314.db2.gz OINXYWJJWAFVSA-UHFFFAOYSA-N 1 0 358.236 2.356 20 5 FEBDRO C[C@@H](CCc1ccco1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015276 325351532 /nfs/dbraw/zinc/35/15/32/325351532.db2.gz YCJQOFLKVMLSCG-ZDUSSCGKSA-N 1 0 367.427 2.077 20 5 FEBDRO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551504 325362875 /nfs/dbraw/zinc/36/28/75/325362875.db2.gz QMWWXTLJJBJKNE-SHZVTRLKSA-N 1 0 363.439 2.187 20 5 FEBDRO CCOc1ccc(C2=CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091813552 325394830 /nfs/dbraw/zinc/39/48/30/325394830.db2.gz HFIKUSQROLUIMJ-GOSISDBHSA-N 1 0 372.425 2.340 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000092228714 325405838 /nfs/dbraw/zinc/40/58/38/325405838.db2.gz VRXXJXIYRUMADW-UHFFFAOYSA-N 1 0 362.474 2.276 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000094000863 325451625 /nfs/dbraw/zinc/45/16/25/325451625.db2.gz HMQIWLBTZZSRKY-JKSUJKDBSA-N 1 0 360.458 2.410 20 5 FEBDRO COc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1OC ZINC000114708549 325915107 /nfs/dbraw/zinc/91/51/07/325915107.db2.gz SBJJMPJSLJEFRJ-CYBMUJFWSA-N 1 0 363.418 2.369 20 5 FEBDRO Cc1c(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000118793003 326102769 /nfs/dbraw/zinc/10/27/69/326102769.db2.gz ZXRGHHQSIZNWQP-HNNXBMFYSA-N 1 0 362.430 2.479 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119395330 326157378 /nfs/dbraw/zinc/15/73/78/326157378.db2.gz FWDLHLSPFWTNGY-UHFFFAOYSA-N 1 0 361.439 2.476 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000119779113 326197250 /nfs/dbraw/zinc/19/72/50/326197250.db2.gz SKYBNQFLDULPKZ-LLVKDONJSA-N 1 0 356.220 2.490 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120954925 326302099 /nfs/dbraw/zinc/30/20/99/326302099.db2.gz OCIJFRWXAPFRQR-NVXWUHKLSA-N 1 0 367.471 2.026 20 5 FEBDRO CN(Cc1nccn1C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000121067889 326310672 /nfs/dbraw/zinc/31/06/72/326310672.db2.gz MZPHTUOKHTXPDA-UHFFFAOYSA-N 1 0 353.176 2.363 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000121970383 326378999 /nfs/dbraw/zinc/37/89/99/326378999.db2.gz GRBQEERAUDKRSA-HOCLYGCPSA-N 1 0 374.441 2.093 20 5 FEBDRO C[NH+]1CCN([C@@H]2CCCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000127024858 326499126 /nfs/dbraw/zinc/49/91/26/326499126.db2.gz HCBKYNUWRBYUCV-CYBMUJFWSA-N 1 0 354.401 2.479 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000160959401 326983242 /nfs/dbraw/zinc/98/32/42/326983242.db2.gz XEGFLFADGNNSRS-HNNXBMFYSA-N 1 0 369.487 2.179 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000163871200 327060251 /nfs/dbraw/zinc/06/02/51/327060251.db2.gz RETYKHRVXUYCOF-UHFFFAOYSA-N 1 0 356.220 2.443 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000171124670 327119668 /nfs/dbraw/zinc/11/96/68/327119668.db2.gz VIKQHYLCFLNUKN-UHFFFAOYSA-N 1 0 364.446 2.014 20 5 FEBDRO CCc1n[nH]c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171368795 327135063 /nfs/dbraw/zinc/13/50/63/327135063.db2.gz JQJAJUCIRPHMQB-UHFFFAOYSA-N 1 0 357.414 2.406 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)cs1 ZINC000171842268 327165035 /nfs/dbraw/zinc/16/50/35/327165035.db2.gz GXYYGGQYEJZNJQ-UHFFFAOYSA-N 1 0 369.415 2.010 20 5 FEBDRO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172348158 327197188 /nfs/dbraw/zinc/19/71/88/327197188.db2.gz NQPXEXMYCWHXTK-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000172421468 327200937 /nfs/dbraw/zinc/20/09/37/327200937.db2.gz LUMWZMSPYQCQBT-UHFFFAOYSA-N 1 0 363.462 2.275 20 5 FEBDRO COC(=O)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000173256793 327244483 /nfs/dbraw/zinc/24/44/83/327244483.db2.gz BYRKJRNNTJRFJS-UHFFFAOYSA-N 1 0 351.403 2.363 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000173273515 327245535 /nfs/dbraw/zinc/24/55/35/327245535.db2.gz BBYXBYIHDGRJLQ-MNOVXSKESA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000173279764 327246125 /nfs/dbraw/zinc/24/61/25/327246125.db2.gz CBAHLYXTDDYCPJ-JKSUJKDBSA-N 1 0 374.441 2.315 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173634292 327272595 /nfs/dbraw/zinc/27/25/95/327272595.db2.gz OWAYEFQYTGELTG-ZDUSSCGKSA-N 1 0 371.434 2.230 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000173668166 327275030 /nfs/dbraw/zinc/27/50/30/327275030.db2.gz AGFLRVMXFAMOCD-ZDUSSCGKSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173951648 327297256 /nfs/dbraw/zinc/29/72/56/327297256.db2.gz ZRVJAOQCPVFMAD-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174184684 327311282 /nfs/dbraw/zinc/31/12/82/327311282.db2.gz NAUDTCAKHPEGBD-TZMCWYRMSA-N 1 0 350.419 2.228 20 5 FEBDRO CN(CC(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000175019964 327368553 /nfs/dbraw/zinc/36/85/53/327368553.db2.gz NXVOIFQQKZDVPN-UHFFFAOYSA-N 1 0 356.426 2.409 20 5 FEBDRO COC(=O)c1cc(NCCCC[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000177543775 327529424 /nfs/dbraw/zinc/52/94/24/327529424.db2.gz PLVGVUXVTZUFDY-UHFFFAOYSA-N 1 0 351.403 2.214 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178106851 327565727 /nfs/dbraw/zinc/56/57/27/327565727.db2.gz HRTPNZOJCBWWAM-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000261912666 328828754 /nfs/dbraw/zinc/82/87/54/328828754.db2.gz ZYMRZGQYIJQVOH-IUODEOHRSA-N 1 0 373.413 2.414 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1C ZINC000262213502 328851670 /nfs/dbraw/zinc/85/16/70/328851670.db2.gz LVQFCKZZCZEHSL-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO C[C@@H](C[NH3+])NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000262551351 328872233 /nfs/dbraw/zinc/87/22/33/328872233.db2.gz YNBUBBJVEZIJTN-JTQLQIEISA-N 1 0 374.363 2.293 20 5 FEBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000264244107 329004043 /nfs/dbraw/zinc/00/40/43/329004043.db2.gz ZYOFCPYNEZZYCA-UHFFFAOYSA-N 1 0 372.429 2.326 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264623400 329041875 /nfs/dbraw/zinc/04/18/75/329041875.db2.gz RZSYYFWGGPPPAT-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO Cn1cc(C[NH2+]CCN2CCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264858362 329068174 /nfs/dbraw/zinc/06/81/74/329068174.db2.gz NUSQGFAMBJMFLD-UHFFFAOYSA-N 1 0 361.471 2.134 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000264914975 329073913 /nfs/dbraw/zinc/07/39/13/329073913.db2.gz OIZWFCKDRFPFSX-MRXNPFEDSA-N 1 0 368.865 2.250 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc2sccn21 ZINC000265503947 329134050 /nfs/dbraw/zinc/13/40/50/329134050.db2.gz NRKKXTLSZWJYTA-NSHDSACASA-N 1 0 351.432 2.217 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265751014 329156650 /nfs/dbraw/zinc/15/66/50/329156650.db2.gz DYWRAFWVSJRAMP-UHFFFAOYSA-N 1 0 363.458 2.490 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000265790096 329160453 /nfs/dbraw/zinc/16/04/53/329160453.db2.gz LXERHUPMNDUSPE-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000265985359 329179420 /nfs/dbraw/zinc/17/94/20/329179420.db2.gz OTDCNANNQFVHDM-UHFFFAOYSA-N 1 0 371.441 2.099 20 5 FEBDRO O=[N+]([O-])c1c(N2CCC(OCC[NH+]3CCCC3)CC2)nc2sccn21 ZINC000266695142 329250132 /nfs/dbraw/zinc/25/01/32/329250132.db2.gz FJUSCVPHZVQVAU-UHFFFAOYSA-N 1 0 365.459 2.385 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266734434 329254164 /nfs/dbraw/zinc/25/41/64/329254164.db2.gz OMIFDYDISZMTPU-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267479892 329331774 /nfs/dbraw/zinc/33/17/74/329331774.db2.gz UYFCITZMXVVAKW-CZUORRHYSA-N 1 0 371.441 2.277 20 5 FEBDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000267488668 329332537 /nfs/dbraw/zinc/33/25/37/329332537.db2.gz VXABDWBFLSOKSA-OAHLLOKOSA-N 1 0 364.345 2.082 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267702077 329351114 /nfs/dbraw/zinc/35/11/14/329351114.db2.gz ZQSZXWVTBICLAG-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO COc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000268151985 329390898 /nfs/dbraw/zinc/39/08/98/329390898.db2.gz GNUJCIHFZVEBSZ-AWEZNQCLSA-N 1 0 366.437 2.349 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156095 329391292 /nfs/dbraw/zinc/39/12/92/329391292.db2.gz HDOIUUDXJNCSJY-YMTOWFKASA-N 1 0 362.386 2.332 20 5 FEBDRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000269224420 329498081 /nfs/dbraw/zinc/49/80/81/329498081.db2.gz WGWSPDIXENXGRC-WBVHZDCISA-N 1 0 362.430 2.403 20 5 FEBDRO Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000269224413 329498201 /nfs/dbraw/zinc/49/82/01/329498201.db2.gz WGWSPDIXENXGRC-DOTOQJQBSA-N 1 0 362.430 2.403 20 5 FEBDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272052304 329748100 /nfs/dbraw/zinc/74/81/00/329748100.db2.gz HPDIGKWHVCKRPR-QMTHXVAHSA-N 1 0 358.320 2.429 20 5 FEBDRO COc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000272475910 329784346 /nfs/dbraw/zinc/78/43/46/329784346.db2.gz BFEVJZIYSLZAEU-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000273218137 329846329 /nfs/dbraw/zinc/84/63/29/329846329.db2.gz UYVKKRIFOLSKBD-ITSYKEIMSA-N 1 0 366.386 2.104 20 5 FEBDRO CCOc1cc(NC(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000273338824 329857039 /nfs/dbraw/zinc/85/70/39/329857039.db2.gz PYHUONBKVCLBSP-UHFFFAOYSA-N 1 0 352.391 2.170 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000273371160 329859453 /nfs/dbraw/zinc/85/94/53/329859453.db2.gz GRZMTLGENTXNKT-JKSUJKDBSA-N 1 0 366.393 2.233 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C2CCOCC2)CC1 ZINC000273501156 329869974 /nfs/dbraw/zinc/86/99/74/329869974.db2.gz VFVOBRFPFAILOA-UHFFFAOYSA-N 1 0 352.366 2.062 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000274120955 329917304 /nfs/dbraw/zinc/91/73/04/329917304.db2.gz WZKUUKKXFAIMJW-NWDGAFQWSA-N 1 0 367.402 2.109 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCO1 ZINC000274764971 329978065 /nfs/dbraw/zinc/97/80/65/329978065.db2.gz UPZSCCQRMBFUCN-HNNXBMFYSA-N 1 0 357.366 2.187 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275461972 330051516 /nfs/dbraw/zinc/05/15/16/330051516.db2.gz NLVWRUUSZCXOAU-HNNXBMFYSA-N 1 0 351.403 2.025 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000291405360 330190931 /nfs/dbraw/zinc/19/09/31/330190931.db2.gz WRURYOOJRBYOIG-YOEHRIQHSA-N 1 0 374.441 2.038 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234664 330234010 /nfs/dbraw/zinc/23/40/10/330234010.db2.gz RIXDBXIYDYJMAO-HOTGVXAUSA-N 1 0 355.394 2.431 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000411374415 330255280 /nfs/dbraw/zinc/25/52/80/330255280.db2.gz CFWMOMOHJLLRKS-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)c1ccccc1[N+](=O)[O-] ZINC000433164725 330274154 /nfs/dbraw/zinc/27/41/54/330274154.db2.gz ACKRZMNMDRPZJK-GJZGRUSLSA-N 1 0 365.430 2.325 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155556667 545542174 /nfs/dbraw/zinc/54/21/74/545542174.db2.gz LKLMVPAPMNZIOG-CZUORRHYSA-N 1 0 363.414 2.433 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000156016186 545592382 /nfs/dbraw/zinc/59/23/82/545592382.db2.gz IFODXLHFFODPMQ-IBGZPJMESA-N 1 0 369.421 2.467 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@H](Oc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352366 545620925 /nfs/dbraw/zinc/62/09/25/545620925.db2.gz MIBHCNCWVPQFJK-HNNXBMFYSA-N 1 0 356.382 2.472 20 5 FEBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H]1C[NH3+] ZINC000156728413 545653911 /nfs/dbraw/zinc/65/39/11/545653911.db2.gz LPPVOWSEFYROBQ-QMTHXVAHSA-N 1 0 370.247 2.486 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+]1CC=CCC1 ZINC000477630471 561149844 /nfs/dbraw/zinc/14/98/44/561149844.db2.gz CIODUSZQEBNZAH-GFCCVEGCSA-N 1 0 353.806 2.394 20 5 FEBDRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157800429 545786455 /nfs/dbraw/zinc/78/64/55/545786455.db2.gz FWSPAHBBCYQDFB-AWEZNQCLSA-N 1 0 351.403 2.051 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158391111 545854700 /nfs/dbraw/zinc/85/47/00/545854700.db2.gz ABVXVANPWWSMDE-QGZVFWFLSA-N 1 0 365.455 2.049 20 5 FEBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000158604106 545875498 /nfs/dbraw/zinc/87/54/98/545875498.db2.gz RVMYNKOFFJRQEX-PKOBYXMFSA-N 1 0 369.421 2.208 20 5 FEBDRO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159843096 545985435 /nfs/dbraw/zinc/98/54/35/545985435.db2.gz SUZARQNKBUHLID-OAHLLOKOSA-N 1 0 373.384 2.491 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000160505397 546047224 /nfs/dbraw/zinc/04/72/24/546047224.db2.gz CMQQGNPKQYKKKB-UHFFFAOYSA-N 1 0 357.414 2.244 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160524859 546049336 /nfs/dbraw/zinc/04/93/36/546049336.db2.gz QYEKZFCAAMTIOM-MSOLQXFVSA-N 1 0 361.442 2.021 20 5 FEBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000162275859 546137386 /nfs/dbraw/zinc/13/73/86/546137386.db2.gz SCWHWNBUYMODMA-CYBMUJFWSA-N 1 0 363.414 2.249 20 5 FEBDRO Cc1cc(S(=O)(=O)[N-]c2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000176420807 546443891 /nfs/dbraw/zinc/44/38/91/546443891.db2.gz JVTDDHGNGXQRTE-UHFFFAOYSA-N 1 0 350.400 2.161 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480457578 561209610 /nfs/dbraw/zinc/20/96/10/561209610.db2.gz CAQAAEUXVRDQTK-MRXNPFEDSA-N 1 0 357.414 2.311 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000176691006 546476570 /nfs/dbraw/zinc/47/65/70/546476570.db2.gz CYSJGSKASQASRK-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000480485557 561210338 /nfs/dbraw/zinc/21/03/38/561210338.db2.gz DCWSPWKFTNAOBY-INIZCTEOSA-N 1 0 354.403 2.032 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031986 546527891 /nfs/dbraw/zinc/52/78/91/546527891.db2.gz OYHZJRNWPGENOF-BXUZGUMPSA-N 1 0 361.398 2.127 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@@H+]1C1CC1 ZINC000177094499 546543953 /nfs/dbraw/zinc/54/39/53/546543953.db2.gz NIALHKMTZBCBHD-JSGCOSHPSA-N 1 0 355.398 2.136 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000480736362 561215568 /nfs/dbraw/zinc/21/55/68/561215568.db2.gz MVUNZRWDLGIRPE-LBPRGKRZSA-N 1 0 366.443 2.152 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000481073479 561224554 /nfs/dbraw/zinc/22/45/54/561224554.db2.gz PIFBQPBNFDUFAB-UHFFFAOYSA-N 1 0 350.400 2.419 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178106840 546740340 /nfs/dbraw/zinc/74/03/40/546740340.db2.gz HRTPNZOJCBWWAM-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO CSc1ccc(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000179759320 547009552 /nfs/dbraw/zinc/00/95/52/547009552.db2.gz DOXYFFVUNVGEQV-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO Cn1c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000482798946 561260287 /nfs/dbraw/zinc/26/02/87/561260287.db2.gz SPAGCJRULKMJSP-UHFFFAOYSA-N 1 0 366.487 2.415 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000482853422 561261393 /nfs/dbraw/zinc/26/13/93/561261393.db2.gz CSSCWDKRBFUAJE-OAHLLOKOSA-N 1 0 362.474 2.497 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000483400463 561276072 /nfs/dbraw/zinc/27/60/72/561276072.db2.gz CGRRYWKYDPADSF-HZPDHXFCSA-N 1 0 367.446 2.315 20 5 FEBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181667395 547356828 /nfs/dbraw/zinc/35/68/28/547356828.db2.gz FODUVPIKWNQGGI-IAGOWNOFSA-N 1 0 350.394 2.148 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000181829590 547388213 /nfs/dbraw/zinc/38/82/13/547388213.db2.gz WBWWPVPKEHGIAR-UHFFFAOYSA-N 1 0 363.462 2.427 20 5 FEBDRO CC1(C)CN(CC(F)(F)F)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182222537 547456169 /nfs/dbraw/zinc/45/61/69/547456169.db2.gz MCUWJQRKCZNDTD-UHFFFAOYSA-N 1 0 374.363 2.152 20 5 FEBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182299638 547469589 /nfs/dbraw/zinc/46/95/89/547469589.db2.gz ZKMBZPBKWPWOAR-XJKSGUPXSA-N 1 0 351.403 2.479 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182844826 547560589 /nfs/dbraw/zinc/56/05/89/547560589.db2.gz KTLGJYHNUYILHV-NSHDSACASA-N 1 0 358.324 2.344 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000183038964 547590823 /nfs/dbraw/zinc/59/08/23/547590823.db2.gz HXDWALLCDUWQQR-CCEZHUSRSA-N 1 0 360.458 2.140 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000484171664 561292858 /nfs/dbraw/zinc/29/28/58/561292858.db2.gz KFWFEYBMUMHCAH-KOLCDFICSA-N 1 0 356.220 2.096 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183297701 547635456 /nfs/dbraw/zinc/63/54/56/547635456.db2.gz MLBANIGJHSKUAK-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183421852 547655482 /nfs/dbraw/zinc/65/54/82/547655482.db2.gz ZBFFERCFLABCGM-HNNXBMFYSA-N 1 0 369.487 2.321 20 5 FEBDRO O=C(C[NH2+][C@@H](CCO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183711860 547705778 /nfs/dbraw/zinc/70/57/78/547705778.db2.gz XGFIUXHVNIKJJQ-KRWDZBQOSA-N 1 0 361.442 2.405 20 5 FEBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484615641 561301284 /nfs/dbraw/zinc/30/12/84/561301284.db2.gz FFNMYPPKKSEXRF-ZBFHGGJFSA-N 1 0 351.403 2.015 20 5 FEBDRO Cc1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000183782428 547718790 /nfs/dbraw/zinc/71/87/90/547718790.db2.gz CZZPNUFCZWWGCJ-QGZVFWFLSA-N 1 0 369.421 2.400 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183779439 547718841 /nfs/dbraw/zinc/71/88/41/547718841.db2.gz XAJCZWGBDXGEGM-GOSISDBHSA-N 1 0 355.394 2.091 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184318908 547806294 /nfs/dbraw/zinc/80/62/94/547806294.db2.gz ATYMXIOGVZBYSW-UTZKEFOASA-N 1 0 360.458 2.140 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000184336324 547808891 /nfs/dbraw/zinc/80/88/91/547808891.db2.gz YXKAXNBGFJCSML-AWEZNQCLSA-N 1 0 361.446 2.300 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000484897805 561308115 /nfs/dbraw/zinc/30/81/15/561308115.db2.gz AGGAEHOWFNXJSN-ZOBUZTSGSA-N 1 0 352.431 2.472 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000184449977 547828877 /nfs/dbraw/zinc/82/88/77/547828877.db2.gz JAUKUPKMBOWNAV-PWSUYJOCSA-N 1 0 353.448 2.257 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184937460 547903682 /nfs/dbraw/zinc/90/36/82/547903682.db2.gz LJLPMJDOVPXTCU-HNNXBMFYSA-N 1 0 369.425 2.166 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185055794 547924377 /nfs/dbraw/zinc/92/43/77/547924377.db2.gz LLAHRXBXWOTBGI-FOCLMDBBSA-N 1 0 360.458 2.142 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185121846 547935788 /nfs/dbraw/zinc/93/57/88/547935788.db2.gz OZLBGMQOENPOGB-LBPRGKRZSA-N 1 0 353.394 2.064 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185121867 547936031 /nfs/dbraw/zinc/93/60/31/547936031.db2.gz OZLBGMQOENPOGB-GFCCVEGCSA-N 1 0 353.394 2.064 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185169310 547946108 /nfs/dbraw/zinc/94/61/08/547946108.db2.gz LYQRXMVYKARBCT-ZDUSSCGKSA-N 1 0 367.421 2.455 20 5 FEBDRO CSc1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000485500219 561320543 /nfs/dbraw/zinc/32/05/43/561320543.db2.gz XTJGVRBRONLNIB-AAEUAGOBSA-N 1 0 355.485 2.434 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000186925904 548220849 /nfs/dbraw/zinc/22/08/49/548220849.db2.gz VUMQXAMPCINXPU-OAHLLOKOSA-N 1 0 350.419 2.182 20 5 FEBDRO COc1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000187021429 548243151 /nfs/dbraw/zinc/24/31/51/548243151.db2.gz VJPSSEMZJJEHKB-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO O=C(c1ccco1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194197555 548448150 /nfs/dbraw/zinc/44/81/50/548448150.db2.gz GYLASLJMAAOMFN-UHFFFAOYSA-N 1 0 374.353 2.490 20 5 FEBDRO CCOc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000487152328 561364940 /nfs/dbraw/zinc/36/49/40/561364940.db2.gz RQFPCIVPQREUFO-DOTOQJQBSA-N 1 0 362.474 2.456 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509400 548652644 /nfs/dbraw/zinc/65/26/44/548652644.db2.gz GEONUMRJPGHOHP-UHFFFAOYSA-N 1 0 360.414 2.042 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237521164 548832448 /nfs/dbraw/zinc/83/24/48/548832448.db2.gz ORYAQVVTBFZOQQ-SJCJKPOMSA-N 1 0 371.441 2.408 20 5 FEBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000488013626 561381375 /nfs/dbraw/zinc/38/13/75/561381375.db2.gz WVADBRKNYAHMCP-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO COCCO[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245833290 549000543 /nfs/dbraw/zinc/00/05/43/549000543.db2.gz GRRVBNXRKVEVNQ-ZIAGYGMSSA-N 1 0 351.403 2.049 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246065351 549044427 /nfs/dbraw/zinc/04/44/27/549044427.db2.gz DPTKRTHNMONDTQ-DZGCQCFKSA-N 1 0 355.460 2.254 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246177976 549070730 /nfs/dbraw/zinc/07/07/30/549070730.db2.gz GVIAUUMTGUSRAI-SWLSCSKDSA-N 1 0 350.419 2.085 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246218192 549081725 /nfs/dbraw/zinc/08/17/25/549081725.db2.gz PTMOWNADTUXOSL-ZWNOBZJWSA-N 1 0 361.851 2.209 20 5 FEBDRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000246454249 549136285 /nfs/dbraw/zinc/13/62/85/549136285.db2.gz BZTCFVVIWWLIRN-HKUYNNGSSA-N 1 0 369.421 2.208 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000488716136 561395105 /nfs/dbraw/zinc/39/51/05/561395105.db2.gz QWKXFZCSOJFMKD-IBGZPJMESA-N 1 0 369.425 2.091 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762131 561396424 /nfs/dbraw/zinc/39/64/24/561396424.db2.gz CKXLHXROVAJKHN-MKBNYLNASA-N 1 0 357.414 2.410 20 5 FEBDRO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488770290 561396773 /nfs/dbraw/zinc/39/67/73/561396773.db2.gz PBVFEVUIAOFIGJ-HNNXBMFYSA-N 1 0 371.441 2.176 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247094847 549283100 /nfs/dbraw/zinc/28/31/00/549283100.db2.gz PRHJGLOBTPZFEA-DGCLKSJQSA-N 1 0 373.862 2.353 20 5 FEBDRO CC[C@H]1CN(CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CCO1 ZINC000489086202 561403047 /nfs/dbraw/zinc/40/30/47/561403047.db2.gz WYLKSBJNZRCZRH-AWEZNQCLSA-N 1 0 350.419 2.444 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248453445 549440637 /nfs/dbraw/zinc/44/06/37/549440637.db2.gz JZVJNGZNTWDYTE-YOEHRIQHSA-N 1 0 369.487 2.031 20 5 FEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463937 549445184 /nfs/dbraw/zinc/44/51/84/549445184.db2.gz QTCIURUHDLSIER-JKSUJKDBSA-N 1 0 374.441 2.023 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]12 ZINC000248696295 549486440 /nfs/dbraw/zinc/48/64/40/549486440.db2.gz YVSVUROITOPWMG-OWCLPIDISA-N 1 0 358.442 2.007 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248847569 549512415 /nfs/dbraw/zinc/51/24/15/549512415.db2.gz UXXDWUHKQYZITM-DOMZBBRYSA-N 1 0 357.414 2.131 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249149444 549561012 /nfs/dbraw/zinc/56/10/12/549561012.db2.gz XJPVCBQBWBJAOX-JSGCOSHPSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249627726 549612563 /nfs/dbraw/zinc/61/25/63/549612563.db2.gz QPRGCFQFURTXBC-UONOGXRCSA-N 1 0 355.460 2.315 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000253352804 549682765 /nfs/dbraw/zinc/68/27/65/549682765.db2.gz RIYDYGPAQLVPKR-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@@H+]1C ZINC000490290323 561430452 /nfs/dbraw/zinc/43/04/52/561430452.db2.gz HXCSSAZHTIKACZ-OAHLLOKOSA-N 1 0 367.471 2.091 20 5 FEBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000262665586 549837065 /nfs/dbraw/zinc/83/70/65/549837065.db2.gz PILGQMLPNZIBRV-YOEHRIQHSA-N 1 0 355.398 2.011 20 5 FEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746891 549845554 /nfs/dbraw/zinc/84/55/54/549845554.db2.gz AMQNRHXOHAPYQK-RKDXNWHRSA-N 1 0 367.349 2.032 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264048887 549972531 /nfs/dbraw/zinc/97/25/31/549972531.db2.gz AQWZFUZPMJIVSI-UHFFFAOYSA-N 1 0 371.459 2.023 20 5 FEBDRO Cc1nnc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268421282 550062993 /nfs/dbraw/zinc/06/29/93/550062993.db2.gz CPNCEZYDMNXJPZ-ZDUSSCGKSA-N 1 0 358.402 2.230 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147486 550160712 /nfs/dbraw/zinc/16/07/12/550160712.db2.gz QBLHMMYQYJMXBQ-WCQYABFASA-N 1 0 373.862 2.353 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000269247557 550172332 /nfs/dbraw/zinc/17/23/32/550172332.db2.gz YRVBCKYBAVFKNW-VXGBXAGGSA-N 1 0 351.403 2.120 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)nc2)C1 ZINC000269440734 550195943 /nfs/dbraw/zinc/19/59/43/550195943.db2.gz QOZGYSQVMHMRLF-LBPRGKRZSA-N 1 0 361.427 2.444 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493573124 561456758 /nfs/dbraw/zinc/45/67/58/561456758.db2.gz NPGYFZYYMDWQAP-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000493608132 561457208 /nfs/dbraw/zinc/45/72/08/561457208.db2.gz ZQUPQRKOWIRTCF-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)n1 ZINC000270852259 550313902 /nfs/dbraw/zinc/31/39/02/550313902.db2.gz YCBPIDOLBFVACJ-OAHLLOKOSA-N 1 0 357.414 2.113 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870958 550315876 /nfs/dbraw/zinc/31/58/76/550315876.db2.gz OCJPTJYNRXBODF-HKUYNNGSSA-N 1 0 369.421 2.208 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000270973275 550327184 /nfs/dbraw/zinc/32/71/84/550327184.db2.gz UFJWCUZTDJEDLX-DZGCQCFKSA-N 1 0 357.414 2.111 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCN1C ZINC000271192407 550350625 /nfs/dbraw/zinc/35/06/25/550350625.db2.gz XUBOVBXONFXVKD-HUUCEWRRSA-N 1 0 352.504 2.301 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271829466 550404995 /nfs/dbraw/zinc/40/49/95/550404995.db2.gz WUCXYHDCBLCVCP-HNNXBMFYSA-N 1 0 359.382 2.255 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328726 550438318 /nfs/dbraw/zinc/43/83/18/550438318.db2.gz LAHOKGBJXDGEJT-ZWNOBZJWSA-N 1 0 361.427 2.156 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272333049 550438324 /nfs/dbraw/zinc/43/83/24/550438324.db2.gz AKOJLTMDAYYHMM-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000272507170 550453881 /nfs/dbraw/zinc/45/38/81/550453881.db2.gz MDVBUUYVLKEDOZ-GFCCVEGCSA-N 1 0 350.419 2.333 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272698258 550466040 /nfs/dbraw/zinc/46/60/40/550466040.db2.gz YEYNZGRDEPRWBH-RDTXWAMCSA-N 1 0 358.442 2.361 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272839216 550472900 /nfs/dbraw/zinc/47/29/00/550472900.db2.gz LSCMQWMRMCXDAK-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1cc(N2CCN(c3cnn(C)c3)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272866782 550474142 /nfs/dbraw/zinc/47/41/42/550474142.db2.gz RVMHISFYEIESJG-UHFFFAOYSA-N 1 0 366.381 2.038 20 5 FEBDRO CC[C@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494495756 561470781 /nfs/dbraw/zinc/47/07/81/561470781.db2.gz OHMVKVCCJPQWQY-PBHICJAKSA-N 1 0 364.446 2.012 20 5 FEBDRO O=[N+]([O-])c1c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc2sccn21 ZINC000273204798 550489590 /nfs/dbraw/zinc/48/95/90/550489590.db2.gz OPGBUGOKHKMQIC-CQSZACIVSA-N 1 0 373.438 2.483 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000273457216 550499126 /nfs/dbraw/zinc/49/91/26/550499126.db2.gz MFWFZYTXKQQJKV-ZDUSSCGKSA-N 1 0 354.382 2.092 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000273953155 550517119 /nfs/dbraw/zinc/51/71/19/550517119.db2.gz MZQKVJORDLLMEK-ZDUSSCGKSA-N 1 0 359.386 2.088 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669568 561473852 /nfs/dbraw/zinc/47/38/52/561473852.db2.gz CDPHSUGUCPTMQI-OLZOCXBDSA-N 1 0 352.412 2.028 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000277256817 550648663 /nfs/dbraw/zinc/64/86/63/550648663.db2.gz KXIQTECFANUBOY-LBPRGKRZSA-N 1 0 358.398 2.405 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000277267460 550649763 /nfs/dbraw/zinc/64/97/63/550649763.db2.gz RHKQNEOLIMMFRF-UHFFFAOYSA-N 1 0 366.418 2.495 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277490319 550677067 /nfs/dbraw/zinc/67/70/67/550677067.db2.gz NRYFQLYFIFIFAI-MRXNPFEDSA-N 1 0 353.444 2.031 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494892391 561478643 /nfs/dbraw/zinc/47/86/43/561478643.db2.gz MBFLMDAMQSLMBB-MFKMUULPSA-N 1 0 373.331 2.360 20 5 FEBDRO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253811 550765758 /nfs/dbraw/zinc/76/57/58/550765758.db2.gz HOPNPSREEBRQGS-YQQAZPJKSA-N 1 0 352.431 2.310 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278760167 550819206 /nfs/dbraw/zinc/81/92/06/550819206.db2.gz KPUIFOHICUUSKZ-RCBQFDQVSA-N 1 0 351.403 2.096 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278768760 550820057 /nfs/dbraw/zinc/82/00/57/550820057.db2.gz OHANMGBMJWEALD-LBPRGKRZSA-N 1 0 350.375 2.193 20 5 FEBDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823332 550825978 /nfs/dbraw/zinc/82/59/78/550825978.db2.gz CMPYZMNZVLQXIX-JKSUJKDBSA-N 1 0 368.821 2.125 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279286909 550873932 /nfs/dbraw/zinc/87/39/32/550873932.db2.gz KSDAKYXSMHPBLO-YVEFUNNKSA-N 1 0 363.414 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279324196 550877593 /nfs/dbraw/zinc/87/75/93/550877593.db2.gz OJIOSCMORWEKMC-SJKOYZFVSA-N 1 0 363.414 2.431 20 5 FEBDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000279597584 550907101 /nfs/dbraw/zinc/90/71/01/550907101.db2.gz VXVRYLGAQXTQOV-LBPRGKRZSA-N 1 0 358.398 2.109 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000495471500 561488648 /nfs/dbraw/zinc/48/86/48/561488648.db2.gz YJLVLJNERPWBDK-UAGQMJEPSA-N 1 0 352.431 2.063 20 5 FEBDRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969343 550948256 /nfs/dbraw/zinc/94/82/56/550948256.db2.gz YUJKKLYQPZSVKY-GLJUWKHASA-N 1 0 363.414 2.192 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000281242991 551077372 /nfs/dbraw/zinc/07/73/72/551077372.db2.gz UPKBMPHOGFMGLM-MRXNPFEDSA-N 1 0 373.356 2.163 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281569569 551114412 /nfs/dbraw/zinc/11/44/12/551114412.db2.gz CMAMCDNVTDSUDW-JXFKEZNVSA-N 1 0 372.421 2.148 20 5 FEBDRO COCC[C@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746347 551265901 /nfs/dbraw/zinc/26/59/01/551265901.db2.gz NLWFKIVPSBWRAQ-CZUORRHYSA-N 1 0 356.444 2.163 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282890381 551282328 /nfs/dbraw/zinc/28/23/28/551282328.db2.gz WDEVIOAXSBKTJJ-RISCZKNCSA-N 1 0 371.397 2.497 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000498102656 561516105 /nfs/dbraw/zinc/51/61/05/561516105.db2.gz VPQFZAIJYKEISA-GFCCVEGCSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000284316898 551522146 /nfs/dbraw/zinc/52/21/46/551522146.db2.gz LOXICDYWGBERHG-IVMMDQJWSA-N 1 0 367.446 2.060 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000498398424 561523952 /nfs/dbraw/zinc/52/39/52/561523952.db2.gz DQIJABVNDTVLOS-GASCZTMLSA-N 1 0 365.478 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285347110 551741953 /nfs/dbraw/zinc/74/19/53/551741953.db2.gz PGPYIBBMSJZKOW-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359183 551743794 /nfs/dbraw/zinc/74/37/94/551743794.db2.gz QDPDKKPJYGPAQK-YOEHRIQHSA-N 1 0 367.471 2.026 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447796 551758435 /nfs/dbraw/zinc/75/84/35/551758435.db2.gz ZIRVXQKHGSPNAK-SUMWQHHRSA-N 1 0 369.425 2.414 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000498885164 561536801 /nfs/dbraw/zinc/53/68/01/561536801.db2.gz WWRRTEFVHSZENZ-ZDUSSCGKSA-N 1 0 355.460 2.087 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021730 551839723 /nfs/dbraw/zinc/83/97/23/551839723.db2.gz ZOJRHVMZSDPKKG-OCCSQVGLSA-N 1 0 363.414 2.311 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000286171796 551857343 /nfs/dbraw/zinc/85/73/43/551857343.db2.gz CXJHMKNSIURTCP-UHFFFAOYSA-N 1 0 374.397 2.329 20 5 FEBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](CC3CCOCC3)CC2)c(F)c1 ZINC000286285959 551869978 /nfs/dbraw/zinc/86/99/78/551869978.db2.gz FUZMSCIINLWHOE-UHFFFAOYSA-N 1 0 355.385 2.417 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286436456 551884834 /nfs/dbraw/zinc/88/48/34/551884834.db2.gz NYBOHOWYHUHRGX-TZMCWYRMSA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288428720 552151722 /nfs/dbraw/zinc/15/17/22/552151722.db2.gz KNIXPKNYGSGHMW-MLGOLLRUSA-N 1 0 372.429 2.239 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000499936116 561562332 /nfs/dbraw/zinc/56/23/32/561562332.db2.gz ZOGUUTCJMXAKEP-QGZVFWFLSA-N 1 0 374.441 2.119 20 5 FEBDRO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500004168 561563854 /nfs/dbraw/zinc/56/38/54/561563854.db2.gz KIPWJYLTJBSQTA-NVXWUHKLSA-N 1 0 371.441 2.475 20 5 FEBDRO C[NH+](C)CCCC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000500203207 561567663 /nfs/dbraw/zinc/56/76/63/561567663.db2.gz UJOZWGBFOZVMQI-UHFFFAOYSA-N 1 0 351.451 2.107 20 5 FEBDRO C[C@H](CO)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289307808 552299247 /nfs/dbraw/zinc/29/92/47/552299247.db2.gz AVUPDMHPZZUILD-MRVPVSSYSA-N 1 0 350.156 2.012 20 5 FEBDRO C[C@H](CCCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289509403 552332758 /nfs/dbraw/zinc/33/27/58/552332758.db2.gz MWVVOWFSNHUGRG-SECBINFHSA-N 1 0 364.183 2.450 20 5 FEBDRO CCC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000500491952 561574857 /nfs/dbraw/zinc/57/48/57/561574857.db2.gz PKFLKYKSGKPKEL-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO CCC[NH+]1CCC(CNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000500542885 561576529 /nfs/dbraw/zinc/57/65/29/561576529.db2.gz CADDCFACYVJEKV-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289868863 552392046 /nfs/dbraw/zinc/39/20/46/552392046.db2.gz RDVXWFQENNUMSN-IAOVAPTHSA-N 1 0 350.415 2.224 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000290679641 552518628 /nfs/dbraw/zinc/51/86/28/552518628.db2.gz SEPXOKKHQBDHQB-AWEZNQCLSA-N 1 0 361.446 2.037 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cc(CO)nn1 ZINC000291509055 552631875 /nfs/dbraw/zinc/63/18/75/552631875.db2.gz IEXZMJZBTDBKDK-UHFFFAOYSA-N 1 0 360.201 2.165 20 5 FEBDRO C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291686773 552651026 /nfs/dbraw/zinc/65/10/26/552651026.db2.gz FTJRVNSVEPCXKW-VIFPVBQESA-N 1 0 351.375 2.201 20 5 FEBDRO C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292154870 552698952 /nfs/dbraw/zinc/69/89/52/552698952.db2.gz KHZVXRDFLRAXHY-YJBOKZPZSA-N 1 0 363.458 2.141 20 5 FEBDRO Cc1cc(N2CCC[C@@H](n3cc(CO)nn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292796166 552759257 /nfs/dbraw/zinc/75/92/57/552759257.db2.gz MWYOOPNUMIQJQH-OAHLLOKOSA-N 1 0 368.397 2.377 20 5 FEBDRO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC000501634279 561602595 /nfs/dbraw/zinc/60/25/95/561602595.db2.gz YKWJTPNJWBSNJL-UHFFFAOYSA-N 1 0 358.398 2.074 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293552429 552834691 /nfs/dbraw/zinc/83/46/91/552834691.db2.gz WSXAHFRWHRESQZ-SKDRFNHKSA-N 1 0 354.204 2.181 20 5 FEBDRO COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293742637 552851891 /nfs/dbraw/zinc/85/18/91/552851891.db2.gz NQMLBEPSSFUJCC-LBPRGKRZSA-N 1 0 358.398 2.266 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000293767403 552854491 /nfs/dbraw/zinc/85/44/91/552854491.db2.gz AMQIYBNIDUUKEK-DLBZAZTESA-N 1 0 358.398 2.011 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000294171330 552887742 /nfs/dbraw/zinc/88/77/42/552887742.db2.gz SPWKHTYCJLSBCD-UHFFFAOYSA-N 1 0 356.386 2.015 20 5 FEBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295303095 552984256 /nfs/dbraw/zinc/98/42/56/552984256.db2.gz MLBIPFPSIRZUCS-OCCSQVGLSA-N 1 0 353.423 2.026 20 5 FEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502015572 561610010 /nfs/dbraw/zinc/61/00/10/561610010.db2.gz HLYRDEGOIZLKLZ-BBRMVZONSA-N 1 0 355.460 2.432 20 5 FEBDRO COCC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295424877 553004928 /nfs/dbraw/zinc/00/49/28/553004928.db2.gz OEYASSWUEARNOS-UHFFFAOYSA-N 1 0 356.444 2.163 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000502125543 561612515 /nfs/dbraw/zinc/61/25/15/561612515.db2.gz OMSTVWIAQYRBCO-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295620658 553035170 /nfs/dbraw/zinc/03/51/70/553035170.db2.gz OJQZAAOJCYJGGF-LSDHHAIUSA-N 1 0 355.394 2.255 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842727 553066866 /nfs/dbraw/zinc/06/68/66/553066866.db2.gz CZFWWDSMXLATPT-JKSUJKDBSA-N 1 0 363.414 2.479 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000295980414 553084689 /nfs/dbraw/zinc/08/46/89/553084689.db2.gz JDHKNJIFAKXJKW-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146784 553111821 /nfs/dbraw/zinc/11/18/21/553111821.db2.gz JYOYDIXBCCTGBQ-JCURWCKSSA-N 1 0 363.414 2.335 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296683293 553197592 /nfs/dbraw/zinc/19/75/92/553197592.db2.gz XNKMKCTUAONYTC-ZNMIVQPWSA-N 1 0 364.446 2.454 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000297446398 553293144 /nfs/dbraw/zinc/29/31/44/553293144.db2.gz SCTXYKHOXAYOFW-CYBMUJFWSA-N 1 0 362.430 2.229 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000298012758 553371261 /nfs/dbraw/zinc/37/12/61/553371261.db2.gz ZEQLPWYQYMYTAZ-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000298722919 553464181 /nfs/dbraw/zinc/46/41/81/553464181.db2.gz BEUXQUGFEYYXEH-HNNXBMFYSA-N 1 0 374.441 2.283 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000298898152 553486845 /nfs/dbraw/zinc/48/68/45/553486845.db2.gz KNVVQVOVVVXARD-UHFFFAOYSA-N 1 0 352.410 2.358 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113055 553516974 /nfs/dbraw/zinc/51/69/74/553516974.db2.gz WUUYXYVDDODTFL-IAGOWNOFSA-N 1 0 355.398 2.137 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000299192650 553527979 /nfs/dbraw/zinc/52/79/79/553527979.db2.gz DJOZJYVUAUKZRO-WFASDCNBSA-N 1 0 351.403 2.167 20 5 FEBDRO CC(C)[NH+](CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)C ZINC000504119796 561653484 /nfs/dbraw/zinc/65/34/84/561653484.db2.gz KWVPWDFPROARBE-UHFFFAOYSA-N 1 0 374.445 2.366 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000299505237 553572806 /nfs/dbraw/zinc/57/28/06/553572806.db2.gz BVERXEXAOPFLQS-CHWSQXEVSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000299576133 553583802 /nfs/dbraw/zinc/58/38/02/553583802.db2.gz WSQZDPKCHAJTFC-UHFFFAOYSA-N 1 0 358.402 2.021 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000299581816 553584618 /nfs/dbraw/zinc/58/46/18/553584618.db2.gz HSFSTMPUJBBBHC-HOCLYGCPSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000299639536 553593685 /nfs/dbraw/zinc/59/36/85/553593685.db2.gz NCCUOACXFUFVGC-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000299656873 553597834 /nfs/dbraw/zinc/59/78/34/553597834.db2.gz WQNJFRNFSSQPPX-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(C3OCCO3)CC2)cccc1[N+](=O)[O-] ZINC000299661229 553598984 /nfs/dbraw/zinc/59/89/84/553598984.db2.gz QMDZLAQXTKQEGS-UHFFFAOYSA-N 1 0 363.414 2.317 20 5 FEBDRO CC[NH+]1CCC(N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301297849 553640283 /nfs/dbraw/zinc/64/02/83/553640283.db2.gz WKMISPZOZFAORS-UHFFFAOYSA-N 1 0 371.441 2.480 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000301309798 553641029 /nfs/dbraw/zinc/64/10/29/553641029.db2.gz YDNPKXLGLBTKCV-AWEZNQCLSA-N 1 0 355.398 2.165 20 5 FEBDRO COc1ccccc1[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+](C)C ZINC000301832032 553683284 /nfs/dbraw/zinc/68/32/84/553683284.db2.gz ITOOWVCLMLRCLF-CYBMUJFWSA-N 1 0 356.386 2.361 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302111188 553704875 /nfs/dbraw/zinc/70/48/75/553704875.db2.gz ULLHNHRJFCRJCT-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO Cc1cc(N2CCN(CC(=O)NC(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302183756 553709070 /nfs/dbraw/zinc/70/90/70/553709070.db2.gz ONMOCPXDGAXKBE-UHFFFAOYSA-N 1 0 371.441 2.098 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000325002933 553774429 /nfs/dbraw/zinc/77/44/29/553774429.db2.gz ZSLJMHWOZJVSRT-GJZGRUSLSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1F ZINC000326979562 553785035 /nfs/dbraw/zinc/78/50/35/553785035.db2.gz UDOYWCAHVMEJBB-YHWZYXNKSA-N 1 0 371.434 2.193 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485278 554127772 /nfs/dbraw/zinc/12/77/72/554127772.db2.gz ARYCKTHKMACXOH-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC[NH+](CC)CC1 ZINC000330674844 554155422 /nfs/dbraw/zinc/15/54/22/554155422.db2.gz QYWVCSBWISJYBM-UHFFFAOYSA-N 1 0 355.460 2.262 20 5 FEBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508440055 561762230 /nfs/dbraw/zinc/76/22/30/561762230.db2.gz FKPCJEQDCBDDBX-INIZCTEOSA-N 1 0 356.430 2.455 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330996643 554198977 /nfs/dbraw/zinc/19/89/77/554198977.db2.gz OUCUEDKFGPCSAG-HNNXBMFYSA-N 1 0 354.838 2.459 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000332013185 554363336 /nfs/dbraw/zinc/36/33/36/554363336.db2.gz PMRKIGYUJSSYSB-MFKMUULPSA-N 1 0 355.341 2.362 20 5 FEBDRO COc1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332199673 554400058 /nfs/dbraw/zinc/40/00/58/554400058.db2.gz QEDZPIRISCFAME-ZFWWWQNUSA-N 1 0 365.455 2.255 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332225122 554404270 /nfs/dbraw/zinc/40/42/70/554404270.db2.gz BOTOTGFWLHIZTD-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000510721787 561844607 /nfs/dbraw/zinc/84/46/07/561844607.db2.gz VIXCNBOJBLZOJH-UHFFFAOYSA-N 1 0 373.456 2.392 20 5 FEBDRO Cc1c(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)cccc1[N+](=O)[O-] ZINC000350944512 554824629 /nfs/dbraw/zinc/82/46/29/554824629.db2.gz DWDCKLFCCVWEKE-UHFFFAOYSA-N 1 0 373.413 2.048 20 5 FEBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000360091545 554862638 /nfs/dbraw/zinc/86/26/38/554862638.db2.gz DPAOHCKSBMACHG-OAHLLOKOSA-N 1 0 357.414 2.347 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000360354307 554872260 /nfs/dbraw/zinc/87/22/60/554872260.db2.gz KQCKMSVMJVFSDY-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000360998881 554899775 /nfs/dbraw/zinc/89/97/75/554899775.db2.gz LTSLBKKICCCHFZ-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000361278177 554914243 /nfs/dbraw/zinc/91/42/43/554914243.db2.gz JNXCSIVTKRPNLH-LOCOYLTRSA-N 1 0 359.426 2.318 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000363035999 555015308 /nfs/dbraw/zinc/01/53/08/555015308.db2.gz ZLNMJOAXHVLPAC-UHFFFAOYSA-N 1 0 363.462 2.261 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000363064420 555022417 /nfs/dbraw/zinc/02/24/17/555022417.db2.gz ZXIVMPXAUYHPJT-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363187803 555048873 /nfs/dbraw/zinc/04/88/73/555048873.db2.gz SGEIEQLTJRUQHT-GFCCVEGCSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363259322 555066431 /nfs/dbraw/zinc/06/64/31/555066431.db2.gz NBLBYRMDASOODF-IMJJTQAJSA-N 1 0 365.455 2.008 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2cccnc2)C2CCCCC2)c1 ZINC000363426006 555102662 /nfs/dbraw/zinc/10/26/62/555102662.db2.gz ALIYMKFGOQEBOT-ROUUACIJSA-N 1 0 359.430 2.458 20 5 FEBDRO CC(=O)c1ccc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000363919859 555213908 /nfs/dbraw/zinc/21/39/08/555213908.db2.gz KGJSGXIIAOGVTP-QGZVFWFLSA-N 1 0 360.458 2.402 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364052386 555241148 /nfs/dbraw/zinc/24/11/48/555241148.db2.gz BTSAUKXLQVWKDA-LBPRGKRZSA-N 1 0 359.835 2.107 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364307333 555288611 /nfs/dbraw/zinc/28/86/11/555288611.db2.gz YOALAKZLPJDGDG-HZPDHXFCSA-N 1 0 373.384 2.456 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364307332 555288782 /nfs/dbraw/zinc/28/87/82/555288782.db2.gz YOALAKZLPJDGDG-HOTGVXAUSA-N 1 0 373.384 2.456 20 5 FEBDRO CSc1cccc(C(=O)N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000364517959 555328281 /nfs/dbraw/zinc/32/82/81/555328281.db2.gz IMGHFTXHWHDUOX-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581408 555344570 /nfs/dbraw/zinc/34/45/70/555344570.db2.gz QHKQLYDTKNMWBP-XHSDSOJGSA-N 1 0 359.426 2.468 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364732243 555388149 /nfs/dbraw/zinc/38/81/49/555388149.db2.gz FAXIASDUXTUACN-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)c2ccccc2O1 ZINC000364897942 555430038 /nfs/dbraw/zinc/43/00/38/555430038.db2.gz UZTAKGDWYZRRSL-ZDUSSCGKSA-N 1 0 356.382 2.146 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000364931082 555441509 /nfs/dbraw/zinc/44/15/09/555441509.db2.gz ATAZQLYQHVQVOC-UHFFFAOYSA-N 1 0 367.471 2.340 20 5 FEBDRO CCOc1cc(CN2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000365179548 555503637 /nfs/dbraw/zinc/50/36/37/555503637.db2.gz JNBRQWNFNYWIOB-UHFFFAOYSA-N 1 0 351.447 2.272 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000365283028 555531437 /nfs/dbraw/zinc/53/14/37/555531437.db2.gz VHNHKNJSUXRQID-NVXWUHKLSA-N 1 0 362.430 2.275 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000365403413 555566277 /nfs/dbraw/zinc/56/62/77/555566277.db2.gz GEESJHBKTBKPHX-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540004 555603295 /nfs/dbraw/zinc/60/32/95/555603295.db2.gz QIYLJPRKCHPRIH-ZTFGCOKTSA-N 1 0 361.442 2.143 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000365679492 555638856 /nfs/dbraw/zinc/63/88/56/555638856.db2.gz RAIUUGGUOGTVLS-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000365826351 555676773 /nfs/dbraw/zinc/67/67/73/555676773.db2.gz PUOGJHXYXZOLRH-XHSDSOJGSA-N 1 0 351.359 2.319 20 5 FEBDRO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365880376 555691321 /nfs/dbraw/zinc/69/13/21/555691321.db2.gz QNZVQVFKMXIECQ-AWEZNQCLSA-N 1 0 357.414 2.133 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365910964 555699154 /nfs/dbraw/zinc/69/91/54/555699154.db2.gz BQFRMTVYXPOWQM-JKSUJKDBSA-N 1 0 362.430 2.275 20 5 FEBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074748 555743901 /nfs/dbraw/zinc/74/39/01/555743901.db2.gz UGBNMYONQFYFOX-YJBOKZPZSA-N 1 0 360.414 2.214 20 5 FEBDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388818 555830579 /nfs/dbraw/zinc/83/05/79/555830579.db2.gz LLKQFWASGNFVQD-MEDUHNTESA-N 1 0 366.805 2.058 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513912624 561954205 /nfs/dbraw/zinc/95/42/05/561954205.db2.gz FVXVVGLDKRRRIK-INIZCTEOSA-N 1 0 371.441 2.359 20 5 FEBDRO Cc1sc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000366434871 555842708 /nfs/dbraw/zinc/84/27/08/555842708.db2.gz ZLSHVZNHMFDIFS-MBNYWOFBSA-N 1 0 353.444 2.288 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000366456537 555848804 /nfs/dbraw/zinc/84/88/04/555848804.db2.gz AFQVIWCXZWFEDQ-BBRMVZONSA-N 1 0 353.444 2.056 20 5 FEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000366661377 555902436 /nfs/dbraw/zinc/90/24/36/555902436.db2.gz YXUMKKQAEPFUOF-IAGOWNOFSA-N 1 0 357.414 2.019 20 5 FEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000366663383 555902712 /nfs/dbraw/zinc/90/27/12/555902712.db2.gz PHUIIWWJKIJLJS-KRWDZBQOSA-N 1 0 357.414 2.019 20 5 FEBDRO CN1Cc2ccccc2[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000366766649 555928697 /nfs/dbraw/zinc/92/86/97/555928697.db2.gz RPLSRPVQZMDTOY-QGZVFWFLSA-N 1 0 361.423 2.201 20 5 FEBDRO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000366923271 555971442 /nfs/dbraw/zinc/97/14/42/555971442.db2.gz RWDIDIKZQGJXBU-CKEIUWERSA-N 1 0 350.415 2.366 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000366940608 555976868 /nfs/dbraw/zinc/97/68/68/555976868.db2.gz JRLLANDHEGMWKT-ZDUSSCGKSA-N 1 0 373.862 2.401 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000368145586 556229798 /nfs/dbraw/zinc/22/97/98/556229798.db2.gz HEVUTSGVHMCAMZ-CYBMUJFWSA-N 1 0 371.340 2.077 20 5 FEBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368660735 556377349 /nfs/dbraw/zinc/37/73/49/556377349.db2.gz CUKCJGGIFSSOGU-QGZVFWFLSA-N 1 0 361.446 2.227 20 5 FEBDRO C[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1Cc1ccccc1 ZINC000368821972 556422519 /nfs/dbraw/zinc/42/25/19/556422519.db2.gz DEBXIWFELJFSGR-ZFWWWQNUSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369062918 556493573 /nfs/dbraw/zinc/49/35/73/556493573.db2.gz IQAHNRGWVFTGFI-OAHLLOKOSA-N 1 0 374.441 2.222 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000369229097 556542216 /nfs/dbraw/zinc/54/22/16/556542216.db2.gz DIOKMESDTWSAMP-CYBMUJFWSA-N 1 0 356.382 2.159 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCC(F)(F)C(F)F)CC2)n1 ZINC000369681246 556666851 /nfs/dbraw/zinc/66/68/51/556666851.db2.gz JOWDJZSKJMCUMI-UHFFFAOYSA-N 1 0 354.304 2.345 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928982 556733427 /nfs/dbraw/zinc/73/34/27/556733427.db2.gz GBAQPGZPIWEXGJ-ZBFHGGJFSA-N 1 0 369.425 2.444 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1F ZINC000370231422 556817127 /nfs/dbraw/zinc/81/71/27/556817127.db2.gz DDJZXJDAFRBLDF-GXTWGEPZSA-N 1 0 371.434 2.195 20 5 FEBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000516761150 562056635 /nfs/dbraw/zinc/05/66/35/562056635.db2.gz ZAZNJEKGACEZPV-INIZCTEOSA-N 1 0 371.393 2.399 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000370423452 556868715 /nfs/dbraw/zinc/86/87/15/556868715.db2.gz ITBYMACLCSRILO-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c(Cl)c1 ZINC000370605607 556920624 /nfs/dbraw/zinc/92/06/24/556920624.db2.gz BDLSTYZLKZNLSY-RISCZKNCSA-N 1 0 373.862 2.401 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370760753 556960822 /nfs/dbraw/zinc/96/08/22/556960822.db2.gz SWZALTFRQCMKNH-LJFOUZCWSA-N 1 0 359.426 2.225 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370900961 557008085 /nfs/dbraw/zinc/00/80/85/557008085.db2.gz UVGRFAAGEQTKAF-OAHLLOKOSA-N 1 0 374.441 2.400 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370899913 557008480 /nfs/dbraw/zinc/00/84/80/557008480.db2.gz QITZNHHTBNUCOO-KRWDZBQOSA-N 1 0 374.441 2.400 20 5 FEBDRO Cc1nc(N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216597 562079954 /nfs/dbraw/zinc/07/99/54/562079954.db2.gz KIYFMFBZDOBIID-RHSMWYFYSA-N 1 0 357.414 2.395 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371233706 557114607 /nfs/dbraw/zinc/11/46/07/557114607.db2.gz ZZAQUKCBPYAAJH-RHSMWYFYSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1c([C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000371381511 557167096 /nfs/dbraw/zinc/16/70/96/557167096.db2.gz YRVMRPZPZBSPCB-QGZVFWFLSA-N 1 0 357.414 2.437 20 5 FEBDRO Cc1ccc(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000517551269 562092215 /nfs/dbraw/zinc/09/22/15/562092215.db2.gz BRGGLSUBLJXDQU-IBGZPJMESA-N 1 0 368.393 2.248 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000517730603 562096566 /nfs/dbraw/zinc/09/65/66/562096566.db2.gz QUSBOIKOWVRSGM-GJZGRUSLSA-N 1 0 363.462 2.426 20 5 FEBDRO Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000371791942 557294781 /nfs/dbraw/zinc/29/47/81/557294781.db2.gz FGRANLYVZYMOGD-SFHVURJKSA-N 1 0 372.425 2.056 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000518301358 562108205 /nfs/dbraw/zinc/10/82/05/562108205.db2.gz BILBXDMOHYBEPH-UHFFFAOYSA-N 1 0 360.389 2.467 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000372153334 557394173 /nfs/dbraw/zinc/39/41/73/557394173.db2.gz UAAAFTUEZQXIJX-AWEZNQCLSA-N 1 0 366.368 2.310 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000372288745 557430639 /nfs/dbraw/zinc/43/06/39/557430639.db2.gz UDLKIEFHQDFODB-UHFFFAOYSA-N 1 0 374.441 2.189 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000372497308 557485873 /nfs/dbraw/zinc/48/58/73/557485873.db2.gz PQNQXHUOYGJRAX-GOSISDBHSA-N 1 0 357.414 2.113 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000519488791 562132583 /nfs/dbraw/zinc/13/25/83/562132583.db2.gz QOODRURQNHCUKW-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000519650491 562138578 /nfs/dbraw/zinc/13/85/78/562138578.db2.gz JFBIDFFAHTZVLK-BZPMIXESSA-N 1 0 355.460 2.151 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000519650507 562138614 /nfs/dbraw/zinc/13/86/14/562138614.db2.gz JFBIDFFAHTZVLK-SCRDCRAPSA-N 1 0 355.460 2.151 20 5 FEBDRO CC(=O)N1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccc(F)cc2C1 ZINC000372797957 557564237 /nfs/dbraw/zinc/56/42/37/557564237.db2.gz CYLGJBYHLXESPI-KRWDZBQOSA-N 1 0 361.377 2.014 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373155701 557640345 /nfs/dbraw/zinc/64/03/45/557640345.db2.gz TUBQBWAECPDIDI-LPHOPBHVSA-N 1 0 372.425 2.423 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000373986805 557801523 /nfs/dbraw/zinc/80/15/23/557801523.db2.gz UBYAPPURBJDXEL-UHFFFAOYSA-N 1 0 371.434 2.230 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374398718 557878678 /nfs/dbraw/zinc/87/86/78/557878678.db2.gz LBCQKIYZIMQJBS-MJBXVCDLSA-N 1 0 363.414 2.289 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374555455 557899327 /nfs/dbraw/zinc/89/93/27/557899327.db2.gz DEHVMWOPAKFYDO-HXUWFJFHSA-N 1 0 369.421 2.220 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000374632994 557909552 /nfs/dbraw/zinc/90/95/52/557909552.db2.gz TVSACTSTCQBJOC-BZUAXINKSA-N 1 0 358.442 2.394 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374675143 557915537 /nfs/dbraw/zinc/91/55/37/557915537.db2.gz CYWMWCSTFYQHHQ-ZDUSSCGKSA-N 1 0 351.403 2.433 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000521170244 562170912 /nfs/dbraw/zinc/17/09/12/562170912.db2.gz HRRYUJNHWOWETK-HNNXBMFYSA-N 1 0 355.460 2.310 20 5 FEBDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)CCN2C2CC2)c1 ZINC000374761898 557927113 /nfs/dbraw/zinc/92/71/13/557927113.db2.gz CAJAKILNYJMLBX-RBUKOAKNSA-N 1 0 371.441 2.368 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](c2ccccc2)C1 ZINC000374767220 557928146 /nfs/dbraw/zinc/92/81/46/557928146.db2.gz NQCFJORONNKHND-CJNGLKHVSA-N 1 0 358.373 2.144 20 5 FEBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000375529095 558043792 /nfs/dbraw/zinc/04/37/92/558043792.db2.gz YMHQBPKTRPOYNJ-SJORKVTESA-N 1 0 371.441 2.153 20 5 FEBDRO COc1ccccc1N1CC[C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375673715 558065650 /nfs/dbraw/zinc/06/56/50/558065650.db2.gz QUZHNCMDKDHSCG-HNNXBMFYSA-N 1 0 359.430 2.401 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1[N+](=O)[O-] ZINC000375986331 558109862 /nfs/dbraw/zinc/10/98/62/558109862.db2.gz HVDBEQIESKPKQV-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376557643 558190324 /nfs/dbraw/zinc/19/03/24/558190324.db2.gz KOYITJCUGNGRNQ-QGZVFWFLSA-N 1 0 356.382 2.472 20 5 FEBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000521845362 562184747 /nfs/dbraw/zinc/18/47/47/562184747.db2.gz OAQHGEYTMLERQO-ZIAGYGMSSA-N 1 0 372.429 2.026 20 5 FEBDRO CN1CCC[C@@]2(CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1=O ZINC000377001288 558250360 /nfs/dbraw/zinc/25/03/60/558250360.db2.gz ZHUQUJGIXZQFIY-SFHVURJKSA-N 1 0 371.397 2.089 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000522594798 562200166 /nfs/dbraw/zinc/20/01/66/562200166.db2.gz BJEUCFQGCWQOGN-CQSZACIVSA-N 1 0 363.418 2.319 20 5 FEBDRO CCCn1nc2c(cc1=O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000377837997 558432206 /nfs/dbraw/zinc/43/22/06/558432206.db2.gz UEIDVSNSJUFBKB-UHFFFAOYSA-N 1 0 372.425 2.389 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000522884229 562205490 /nfs/dbraw/zinc/20/54/90/562205490.db2.gz JTIRUEZPXIUGOP-MRXNPFEDSA-N 1 0 371.441 2.439 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378311779 558526893 /nfs/dbraw/zinc/52/68/93/558526893.db2.gz HUWIWRKISAHVCY-MRXNPFEDSA-N 1 0 353.444 2.047 20 5 FEBDRO CC(C)[C@H](C)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000523515344 562214511 /nfs/dbraw/zinc/21/45/11/562214511.db2.gz DFTADASYUUXBFC-CYBMUJFWSA-N 1 0 372.491 2.139 20 5 FEBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000523748250 562218966 /nfs/dbraw/zinc/21/89/66/562218966.db2.gz XNCVTQLHAGEKSZ-UHFFFAOYSA-N 1 0 357.432 2.002 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000408318990 558666400 /nfs/dbraw/zinc/66/64/00/558666400.db2.gz KKZSJLDWTCCSAF-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000524872544 562236421 /nfs/dbraw/zinc/23/64/21/562236421.db2.gz NOTFPRMCYJNFNF-OLZOCXBDSA-N 1 0 371.459 2.097 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000525056197 562239880 /nfs/dbraw/zinc/23/98/80/562239880.db2.gz ZRAWVBAVGPVOOZ-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105928 562240588 /nfs/dbraw/zinc/24/05/88/562240588.db2.gz BYPVXSXDDJIIMZ-ZJUUUORDSA-N 1 0 373.356 2.417 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411132423 558842629 /nfs/dbraw/zinc/84/26/29/558842629.db2.gz JYXAQRUYBPOTKD-KBPBESRZSA-N 1 0 362.430 2.221 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411193915 558851485 /nfs/dbraw/zinc/85/14/85/558851485.db2.gz PQJPJHMSUHLPBM-OKZBNKHCSA-N 1 0 361.442 2.171 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000411313137 558874664 /nfs/dbraw/zinc/87/46/64/558874664.db2.gz AADRBEYRJVFPAT-BBRMVZONSA-N 1 0 363.414 2.433 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000411419317 558891412 /nfs/dbraw/zinc/89/14/12/558891412.db2.gz KGTBGOVRKVXVJK-DZGCQCFKSA-N 1 0 362.430 2.030 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501285 562249503 /nfs/dbraw/zinc/24/95/03/562249503.db2.gz VQIBJVAKBQNQTK-OCCSQVGLSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)C(C)(C)C ZINC000411491319 558904179 /nfs/dbraw/zinc/90/41/79/558904179.db2.gz PNHJGZXSBYIFMZ-OAHLLOKOSA-N 1 0 353.419 2.319 20 5 FEBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCOC1 ZINC000411722598 558950814 /nfs/dbraw/zinc/95/08/14/558950814.db2.gz VOOUIAJEYZLGJI-QGZVFWFLSA-N 1 0 351.403 2.481 20 5 FEBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000411978217 558998632 /nfs/dbraw/zinc/99/86/32/558998632.db2.gz AMMTVFWQOOYMJW-HNNXBMFYSA-N 1 0 368.437 2.400 20 5 FEBDRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000412041388 559005284 /nfs/dbraw/zinc/00/52/84/559005284.db2.gz MROKHECDRWFGIG-CYBMUJFWSA-N 1 0 358.402 2.148 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412119918 559015519 /nfs/dbraw/zinc/01/55/19/559015519.db2.gz DGNYBHLNFCCRLX-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1F ZINC000412279301 559024613 /nfs/dbraw/zinc/02/46/13/559024613.db2.gz AMQLJNGJQSQQRT-AWEZNQCLSA-N 1 0 353.394 2.084 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1F ZINC000412289091 559025255 /nfs/dbraw/zinc/02/52/55/559025255.db2.gz GWJFJYUYIQUACR-ZDUSSCGKSA-N 1 0 365.405 2.418 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC000412336686 559028860 /nfs/dbraw/zinc/02/88/60/559028860.db2.gz LCSLVVWVDBAIAZ-FUNVUKJBSA-N 1 0 365.405 2.369 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1F ZINC000412361311 559030789 /nfs/dbraw/zinc/03/07/89/559030789.db2.gz KWFKZFUUFDQVFL-GOSISDBHSA-N 1 0 365.405 2.229 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000412382858 559032363 /nfs/dbraw/zinc/03/23/63/559032363.db2.gz IBHGJDKCUZAVOO-AWEZNQCLSA-N 1 0 370.409 2.290 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413097068 559077679 /nfs/dbraw/zinc/07/76/79/559077679.db2.gz BYDSCUOMZZBYGF-KBPBESRZSA-N 1 0 351.426 2.124 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000413503555 559112517 /nfs/dbraw/zinc/11/25/17/559112517.db2.gz PDNIICPCZCVFHR-TZMCWYRMSA-N 1 0 367.421 2.474 20 5 FEBDRO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414961911 559197359 /nfs/dbraw/zinc/19/73/59/559197359.db2.gz ZHTIDMLIESVXJW-ZDUSSCGKSA-N 1 0 370.409 2.439 20 5 FEBDRO C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415770582 559269557 /nfs/dbraw/zinc/26/95/57/559269557.db2.gz BPWRRWUPUOYZKH-NSHDSACASA-N 1 0 350.419 2.074 20 5 FEBDRO C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000415902419 559281919 /nfs/dbraw/zinc/28/19/19/559281919.db2.gz OYMITZZDTMCQDO-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO COc1cc(CCNC(=O)Nc2ccc(C[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000415960812 559285074 /nfs/dbraw/zinc/28/50/74/559285074.db2.gz QMXWBGDMBLQUQH-UHFFFAOYSA-N 1 0 374.397 2.435 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000416029578 559289941 /nfs/dbraw/zinc/28/99/41/559289941.db2.gz LKDBBUAFFAOJET-JTQLQIEISA-N 1 0 354.716 2.327 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410093 559310886 /nfs/dbraw/zinc/31/08/86/559310886.db2.gz WKYAWFDGLOXUNI-KBPBESRZSA-N 1 0 355.460 2.315 20 5 FEBDRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319371 559357291 /nfs/dbraw/zinc/35/72/91/559357291.db2.gz BYSRZNQGWSJHAJ-WMZOPIPTSA-N 1 0 352.431 2.366 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417997896 559385742 /nfs/dbraw/zinc/38/57/42/559385742.db2.gz UQFLYEFEMQWUMS-KCQAQPDRSA-N 1 0 366.849 2.478 20 5 FEBDRO O=C(NCCC[NH2+]Cc1cccnc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418326299 559397560 /nfs/dbraw/zinc/39/75/60/559397560.db2.gz KEIFAWOIICTVMH-UHFFFAOYSA-N 1 0 369.425 2.237 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418611910 559407711 /nfs/dbraw/zinc/40/77/11/559407711.db2.gz IBPBAGHNJPMJKT-INIZCTEOSA-N 1 0 362.430 2.277 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419281373 559435177 /nfs/dbraw/zinc/43/51/77/559435177.db2.gz BDPLUGSXPQPCSC-HOCLYGCPSA-N 1 0 366.368 2.138 20 5 FEBDRO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419383086 559440335 /nfs/dbraw/zinc/44/03/35/559440335.db2.gz ZGSVKPOCKNZLSB-HNNXBMFYSA-N 1 0 351.447 2.141 20 5 FEBDRO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000419389524 559440451 /nfs/dbraw/zinc/44/04/51/559440451.db2.gz LDZPWUWNHFOQQT-MRXNPFEDSA-N 1 0 358.398 2.003 20 5 FEBDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000419810845 559460529 /nfs/dbraw/zinc/46/05/29/559460529.db2.gz LVRCQNSKNWLOGV-IAQYHMDHSA-N 1 0 350.346 2.358 20 5 FEBDRO NC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000420374787 559483844 /nfs/dbraw/zinc/48/38/44/559483844.db2.gz SLZDNCPWUJGRHA-HNNXBMFYSA-N 1 0 362.430 2.390 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420450899 559488040 /nfs/dbraw/zinc/48/80/40/559488040.db2.gz BBPOMAYWPGFOBR-UONOGXRCSA-N 1 0 353.444 2.056 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](CCc2cccs2)CC1 ZINC000420588200 559493136 /nfs/dbraw/zinc/49/31/36/559493136.db2.gz RHMGHPMNDDSUMT-UHFFFAOYSA-N 1 0 360.439 2.120 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421346747 559539842 /nfs/dbraw/zinc/53/98/42/559539842.db2.gz AKPSWZCMCZEBRK-IHRRRGAJSA-N 1 0 362.430 2.193 20 5 FEBDRO COc1cc(C(=O)NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000421682974 559549378 /nfs/dbraw/zinc/54/93/78/559549378.db2.gz BUMSKBRPDWVYIV-UHFFFAOYSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000421796425 559553939 /nfs/dbraw/zinc/55/39/39/559553939.db2.gz OITLGLSLYGNTLB-WMZOPIPTSA-N 1 0 374.485 2.310 20 5 FEBDRO O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCC[NH2+]CC1 ZINC000422720394 559604283 /nfs/dbraw/zinc/60/42/83/559604283.db2.gz ZJKBQPBCRCYQJK-UHFFFAOYSA-N 1 0 357.360 2.395 20 5 FEBDRO [NH3+][C@@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000422941924 559612362 /nfs/dbraw/zinc/61/23/62/559612362.db2.gz WAWAIYUSYJZZDM-CYBMUJFWSA-N 1 0 360.336 2.269 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000423940267 559647039 /nfs/dbraw/zinc/64/70/39/559647039.db2.gz NLTKRLZEOWPBPF-CYBMUJFWSA-N 1 0 351.403 2.249 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423963139 559648255 /nfs/dbraw/zinc/64/82/55/559648255.db2.gz FFWJLVQNARPWIP-HOCLYGCPSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000423999225 559650006 /nfs/dbraw/zinc/65/00/06/559650006.db2.gz AZTWIAMGMCJMEB-JQWIXIFHSA-N 1 0 370.247 2.343 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424012528 559650952 /nfs/dbraw/zinc/65/09/52/559650952.db2.gz PJQHJFAUFLNKSL-JKSUJKDBSA-N 1 0 373.384 2.456 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424021769 559651572 /nfs/dbraw/zinc/65/15/72/559651572.db2.gz UHPKASOFWYFWJV-TZMCWYRMSA-N 1 0 367.471 2.280 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000425051894 559685376 /nfs/dbraw/zinc/68/53/76/559685376.db2.gz UKOVRPQJFIVSQP-SWLSCSKDSA-N 1 0 363.414 2.168 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)o2)c1 ZINC000425542362 559708725 /nfs/dbraw/zinc/70/87/25/559708725.db2.gz HHXNUKXLKDPJPY-CYBMUJFWSA-N 1 0 354.370 2.400 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(O)(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000426468964 559735260 /nfs/dbraw/zinc/73/52/60/559735260.db2.gz LAMDXKUJQKZEMS-UHFFFAOYSA-N 1 0 357.357 2.324 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000429511584 559800202 /nfs/dbraw/zinc/80/02/02/559800202.db2.gz WKJXIOPJJZCEJK-LBPRGKRZSA-N 1 0 371.393 2.245 20 5 FEBDRO CCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[NH2+]C1 ZINC000430931740 559830713 /nfs/dbraw/zinc/83/07/13/559830713.db2.gz CKQOXQCTTKWYDJ-CQSZACIVSA-N 1 0 350.419 2.006 20 5 FEBDRO CC(=O)c1cc(NCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431488824 559840090 /nfs/dbraw/zinc/84/00/90/559840090.db2.gz XCJCMIIVXMXUQI-UHFFFAOYSA-N 1 0 362.430 2.202 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000432516018 559860024 /nfs/dbraw/zinc/86/00/24/559860024.db2.gz VIPFUHHVHMWGNV-SKDRFNHKSA-N 1 0 361.320 2.264 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000434711016 559907019 /nfs/dbraw/zinc/90/70/19/559907019.db2.gz LBRJODUFTYQVDQ-JSGCOSHPSA-N 1 0 371.441 2.279 20 5 FEBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909751 559912148 /nfs/dbraw/zinc/91/21/48/559912148.db2.gz PXGKAULAPIMZIR-RBUKOAKNSA-N 1 0 358.442 2.497 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000434983834 559913733 /nfs/dbraw/zinc/91/37/33/559913733.db2.gz UKFWPRKTHYGCHW-UHFFFAOYSA-N 1 0 371.397 2.496 20 5 FEBDRO COc1cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435381316 559921766 /nfs/dbraw/zinc/92/17/66/559921766.db2.gz WAVBLQPLTYTTOT-PHIMTYICSA-N 1 0 359.373 2.430 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435564988 559925201 /nfs/dbraw/zinc/92/52/01/559925201.db2.gz DZQVHCYZOAJXKR-CYBMUJFWSA-N 1 0 361.427 2.164 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000440284012 560008271 /nfs/dbraw/zinc/00/82/71/560008271.db2.gz QPODCMXRAWOZIS-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[S@](=O)c3ccccc3)C2)nc1 ZINC000440502139 560012586 /nfs/dbraw/zinc/01/25/86/560012586.db2.gz GMYOFUKVVFJEKT-PWECECGKSA-N 1 0 360.439 2.284 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000440511748 560013166 /nfs/dbraw/zinc/01/31/66/560013166.db2.gz ZMOQIUCDPHMVJO-LJQANCHMSA-N 1 0 373.384 2.101 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000440516866 560013412 /nfs/dbraw/zinc/01/34/12/560013412.db2.gz RTNXSHVHXMDKIE-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000441277636 560027683 /nfs/dbraw/zinc/02/76/83/560027683.db2.gz NFHQUTCFCMZTPH-PJODQICGSA-N 1 0 351.403 2.478 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441381179 560030498 /nfs/dbraw/zinc/03/04/98/560030498.db2.gz IPKKSQGTTZFDDD-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527444843 562288046 /nfs/dbraw/zinc/28/80/46/562288046.db2.gz RDTWUPXJAHXWPE-IYBDPMFKSA-N 1 0 354.410 2.137 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442554308 560052811 /nfs/dbraw/zinc/05/28/11/560052811.db2.gz UMVKJMNMBSSMKZ-VBQJREDUSA-N 1 0 374.441 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000443376847 560082536 /nfs/dbraw/zinc/08/25/36/560082536.db2.gz WXSWIIPMGYNPPR-TZMCWYRMSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680582 560118252 /nfs/dbraw/zinc/11/82/52/560118252.db2.gz GHAATIHMHJWNEH-KSSFIOAISA-N 1 0 370.413 2.441 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000444922745 560124803 /nfs/dbraw/zinc/12/48/03/560124803.db2.gz PIFRCYQANMZISZ-CQSZACIVSA-N 1 0 366.418 2.082 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445030713 560127036 /nfs/dbraw/zinc/12/70/36/560127036.db2.gz LTAAGWIWDGKYMV-GFCCVEGCSA-N 1 0 360.418 2.002 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446051461 560138691 /nfs/dbraw/zinc/13/86/91/560138691.db2.gz IXSMSNUBPDTMRJ-CYBMUJFWSA-N 1 0 368.865 2.312 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709898 560195677 /nfs/dbraw/zinc/19/56/77/560195677.db2.gz RVECXYBLSINJSB-YOEHRIQHSA-N 1 0 355.398 2.342 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000449093845 560215663 /nfs/dbraw/zinc/21/56/63/560215663.db2.gz PUWUSEUQCCFDAB-MAUKXSAKSA-N 1 0 365.499 2.323 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1-c1ccccc1 ZINC000449308441 560224539 /nfs/dbraw/zinc/22/45/39/560224539.db2.gz XGYTXLPFQAMUQD-CQSZACIVSA-N 1 0 352.398 2.334 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000449568352 560233798 /nfs/dbraw/zinc/23/37/98/560233798.db2.gz AZMUBEUCYKSNJB-LBPRGKRZSA-N 1 0 359.430 2.314 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1OC ZINC000449716705 560237933 /nfs/dbraw/zinc/23/79/33/560237933.db2.gz HAAVJAAVAVFWBQ-LBPRGKRZSA-N 1 0 365.308 2.012 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449721323 560238050 /nfs/dbraw/zinc/23/80/50/560238050.db2.gz OJSMQQYJEZWFBX-HQJQHLMTSA-N 1 0 369.727 2.411 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000449722574 560238153 /nfs/dbraw/zinc/23/81/53/560238153.db2.gz DMDMUWVVDMTJOX-NSHDSACASA-N 1 0 369.727 2.413 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450022134 560248199 /nfs/dbraw/zinc/24/81/99/560248199.db2.gz KCRUDKMOJXOWLN-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451027169 560283228 /nfs/dbraw/zinc/28/32/28/560283228.db2.gz AGWVELLPWDVEDW-IBGZPJMESA-N 1 0 373.409 2.435 20 5 FEBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000451366079 560302790 /nfs/dbraw/zinc/30/27/90/560302790.db2.gz ZHPPZYXMKOXZIB-VIFPVBQESA-N 1 0 374.235 2.387 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000451381124 560303482 /nfs/dbraw/zinc/30/34/82/560303482.db2.gz YZCOOIIDJLMRRO-KRWDZBQOSA-N 1 0 357.414 2.397 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@](O)(C(F)F)C3)o2)c1 ZINC000451433782 560306855 /nfs/dbraw/zinc/30/68/55/560306855.db2.gz PFXDWTXONNJHJJ-INIZCTEOSA-N 1 0 353.325 2.494 20 5 FEBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484798 560309786 /nfs/dbraw/zinc/30/97/86/560309786.db2.gz XSUAELLIGKTBTB-IRXDYDNUSA-N 1 0 359.426 2.421 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000451488710 560310043 /nfs/dbraw/zinc/31/00/43/560310043.db2.gz GPARFJMQJYJCPL-CABCVRRESA-N 1 0 351.403 2.335 20 5 FEBDRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549677 560314179 /nfs/dbraw/zinc/31/41/79/560314179.db2.gz QBTIQQSGQLOMRH-ZBFHGGJFSA-N 1 0 367.471 2.056 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451593917 560316543 /nfs/dbraw/zinc/31/65/43/560316543.db2.gz IUZPIZLYCQFICM-KDOFPFPSSA-N 1 0 367.446 2.421 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000451692574 560322191 /nfs/dbraw/zinc/32/21/91/560322191.db2.gz UPFVNASKULMDKX-CQSZACIVSA-N 1 0 364.427 2.409 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882285 560334272 /nfs/dbraw/zinc/33/42/72/560334272.db2.gz CMUPSPDAHFIIGL-QMTHXVAHSA-N 1 0 361.320 2.169 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902929 560335926 /nfs/dbraw/zinc/33/59/26/560335926.db2.gz IOECPUIPBIQTDV-QMTHXVAHSA-N 1 0 364.320 2.227 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000455030520 560467963 /nfs/dbraw/zinc/46/79/63/560467963.db2.gz DFLKCQWOWKMXBZ-OAHLLOKOSA-N 1 0 369.425 2.398 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000455653136 560490652 /nfs/dbraw/zinc/49/06/52/560490652.db2.gz DLKSFKVTZDKUKU-UHFFFAOYSA-N 1 0 360.418 2.410 20 5 FEBDRO CNc1nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000224 560503918 /nfs/dbraw/zinc/50/39/18/560503918.db2.gz QVMBWRYMORTWFD-DOMZBBRYSA-N 1 0 359.430 2.120 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000457062435 560546271 /nfs/dbraw/zinc/54/62/71/560546271.db2.gz VCJPGDRNSOUFEI-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457117760 560550488 /nfs/dbraw/zinc/55/04/88/560550488.db2.gz MLGFSCTWAVBROZ-GFCCVEGCSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000457386887 560564470 /nfs/dbraw/zinc/56/44/70/560564470.db2.gz UGIJUZNSIRSZRB-RDJZCZTQSA-N 1 0 358.373 2.394 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000458219137 560609689 /nfs/dbraw/zinc/60/96/89/560609689.db2.gz OPCDLMFPLCAGAW-CYBMUJFWSA-N 1 0 367.471 2.141 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)n1 ZINC000458222070 560609750 /nfs/dbraw/zinc/60/97/50/560609750.db2.gz VEYKUCDWYDGSJN-UHFFFAOYSA-N 1 0 361.402 2.312 20 5 FEBDRO Cn1c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000458329278 560615150 /nfs/dbraw/zinc/61/51/50/560615150.db2.gz XAWQWGSUVNINKH-UHFFFAOYSA-N 1 0 350.350 2.265 20 5 FEBDRO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514620 560628673 /nfs/dbraw/zinc/62/86/73/560628673.db2.gz RDSLLUHZOHEBQD-DLBZAZTESA-N 1 0 364.446 2.192 20 5 FEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000462008940 560792135 /nfs/dbraw/zinc/79/21/35/560792135.db2.gz KPZQXOBRPJALNO-ZDUSSCGKSA-N 1 0 350.419 2.096 20 5 FEBDRO C[C@@H]1COCCN1CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463888041 560827940 /nfs/dbraw/zinc/82/79/40/560827940.db2.gz LUVTTZIWQXFIKP-SNVBAGLBSA-N 1 0 361.320 2.064 20 5 FEBDRO COCCCN(C(=O)c1cccc([N+](=O)[O-])c1OC)C1CC[NH+](C)CC1 ZINC000464721772 560849085 /nfs/dbraw/zinc/84/90/85/560849085.db2.gz ZNEWCZKZXBLPJS-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724299 560915963 /nfs/dbraw/zinc/91/59/63/560915963.db2.gz RWHCHRDSYYAAOE-YOEHRIQHSA-N 1 0 372.469 2.410 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000469057720 560945991 /nfs/dbraw/zinc/94/59/91/560945991.db2.gz UHKUIRSBWROVNH-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470124848 560974832 /nfs/dbraw/zinc/97/48/32/560974832.db2.gz JPPOUFLBAIZZLL-UHFFFAOYSA-N 1 0 367.425 2.272 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000470133316 560975028 /nfs/dbraw/zinc/97/50/28/560975028.db2.gz AXNQWQPTIVRKIK-HZPDHXFCSA-N 1 0 366.393 2.233 20 5 FEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471525688 561006431 /nfs/dbraw/zinc/00/64/31/561006431.db2.gz AHRQZZGISBKWAH-VIFPVBQESA-N 1 0 354.823 2.338 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472712049 561033536 /nfs/dbraw/zinc/03/35/36/561033536.db2.gz GRAMUWLXDOEUHC-UHFFFAOYSA-N 1 0 366.393 2.005 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472732952 561034064 /nfs/dbraw/zinc/03/40/64/561034064.db2.gz UKDSAYUJOIPCOW-GFCCVEGCSA-N 1 0 366.393 2.053 20 5 FEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000473786398 561057639 /nfs/dbraw/zinc/05/76/39/561057639.db2.gz RYPBHRRLPWRNRV-IAGOWNOFSA-N 1 0 362.430 2.403 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000473908965 561060479 /nfs/dbraw/zinc/06/04/79/561060479.db2.gz HPFKHBNWGFIZPI-INIZCTEOSA-N 1 0 355.460 2.384 20 5 FEBDRO CCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000474231546 561068956 /nfs/dbraw/zinc/06/89/56/561068956.db2.gz MJVFLAATCUUAMS-UHFFFAOYSA-N 1 0 351.403 2.376 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000474352867 561071789 /nfs/dbraw/zinc/07/17/89/561071789.db2.gz IPZRJEDHJZQMTF-UKRRQHHQSA-N 1 0 352.387 2.194 20 5 FEBDRO COc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000474418969 561073667 /nfs/dbraw/zinc/07/36/67/561073667.db2.gz XNHGTZOBKFNITJ-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000474583920 561077424 /nfs/dbraw/zinc/07/74/24/561077424.db2.gz RRUBNUZSQDTRJT-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000475046558 561088743 /nfs/dbraw/zinc/08/87/43/561088743.db2.gz DVODVBGOVNQGGT-HOCLYGCPSA-N 1 0 365.384 2.170 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475097278 561090378 /nfs/dbraw/zinc/09/03/78/561090378.db2.gz YUKSSYMNGBJKGQ-GOEBONIOSA-N 1 0 366.414 2.130 20 5 FEBDRO COc1c(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000475758323 561104478 /nfs/dbraw/zinc/10/44/78/561104478.db2.gz LPPXWNVGGRGELK-UHFFFAOYSA-N 1 0 358.398 2.202 20 5 FEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(C2CC2)C1 ZINC000533440829 562508742 /nfs/dbraw/zinc/50/87/42/562508742.db2.gz JQLQCTJEPXBMON-HNNXBMFYSA-N 1 0 360.414 2.061 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000533447331 562509067 /nfs/dbraw/zinc/50/90/67/562509067.db2.gz JSCSWVLUYUHFAY-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CCNc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000534491976 562535073 /nfs/dbraw/zinc/53/50/73/562535073.db2.gz CTDUETQUMZLTDO-UHFFFAOYSA-N 1 0 373.413 2.002 20 5 FEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000536536694 562578160 /nfs/dbraw/zinc/57/81/60/562578160.db2.gz LAXZDGYJVQAOEU-LLVKDONJSA-N 1 0 371.426 2.232 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000536805918 562580736 /nfs/dbraw/zinc/58/07/36/562580736.db2.gz JSGCOTIIXMWFHM-INIZCTEOSA-N 1 0 371.441 2.141 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000536828074 562581183 /nfs/dbraw/zinc/58/11/83/562581183.db2.gz QDYQHPNSGSCAHY-GJZGRUSLSA-N 1 0 367.471 2.432 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(CCCO)CC1 ZINC000541129581 562603967 /nfs/dbraw/zinc/60/39/67/562603967.db2.gz JUDIQPXQLCXKMT-UHFFFAOYSA-N 1 0 363.414 2.377 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000541315762 562608779 /nfs/dbraw/zinc/60/87/79/562608779.db2.gz QGIKKHLQNBXISQ-CYBMUJFWSA-N 1 0 350.419 2.133 20 5 FEBDRO C[NH+](C)CCCOC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000541576764 562615734 /nfs/dbraw/zinc/61/57/34/562615734.db2.gz QTYSTLDMRCNEMJ-UHFFFAOYSA-N 1 0 359.430 2.475 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000541821383 562620623 /nfs/dbraw/zinc/62/06/23/562620623.db2.gz YTGDJEFTCVGRNI-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000541975388 562624843 /nfs/dbraw/zinc/62/48/43/562624843.db2.gz NKPPOKOVOAIIPB-SFHVURJKSA-N 1 0 373.384 2.231 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000549734611 562638845 /nfs/dbraw/zinc/63/88/45/562638845.db2.gz JIHPNKGBTTULGY-GFCCVEGCSA-N 1 0 371.319 2.369 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000806624411 674383909 /nfs/dbraw/zinc/38/39/09/674383909.db2.gz NGJDPCWOKGMTHE-IRXDYDNUSA-N 1 0 350.802 2.475 20 5 FEBDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601850573 567860178 /nfs/dbraw/zinc/86/01/78/567860178.db2.gz PXNDUWOXSRTARS-INIZCTEOSA-N 1 0 371.441 2.226 20 5 FEBDRO Cc1cc(C(=O)NCc2ccncc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000568338321 568026280 /nfs/dbraw/zinc/02/62/80/568026280.db2.gz BQOWNIRPKYUFFN-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000568503315 568039486 /nfs/dbraw/zinc/03/94/86/568039486.db2.gz OLKHIJJXZDGWRA-ZFWWWQNUSA-N 1 0 369.425 2.089 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000563149678 568300902 /nfs/dbraw/zinc/30/09/02/568300902.db2.gz GRTYRKVSBJRXLC-OAHLLOKOSA-N 1 0 357.414 2.466 20 5 FEBDRO COCC[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000569542788 568406707 /nfs/dbraw/zinc/40/67/07/568406707.db2.gz JQEWZLIOSLXSTM-QGZVFWFLSA-N 1 0 351.403 2.017 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000569709055 568413240 /nfs/dbraw/zinc/41/32/40/568413240.db2.gz ZHQWYBQLIKXPBR-UHFFFAOYSA-N 1 0 366.437 2.491 20 5 FEBDRO CC[NH+](CC)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821189427 607302212 /nfs/dbraw/zinc/30/22/12/607302212.db2.gz LYMMSOKYGQHQII-UHFFFAOYSA-N 1 0 356.390 2.077 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557494482 674451056 /nfs/dbraw/zinc/45/10/56/674451056.db2.gz ZKJRJCCHGIFCSE-YPMHNXCESA-N 1 0 350.419 2.617 20 5 FEBDRO Cc1ccc([C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000822230994 606703370 /nfs/dbraw/zinc/70/33/70/606703370.db2.gz XGVZBXDCGFICAT-CQSZACIVSA-N 1 0 368.401 2.193 20 5 FEBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826052656 607935710 /nfs/dbraw/zinc/93/57/10/607935710.db2.gz RKMMWHWJKYIHAQ-MRXNPFEDSA-N 1 0 351.370 2.374 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824563700 608468398 /nfs/dbraw/zinc/46/83/98/608468398.db2.gz POQWQFHSIXCDBO-LLVKDONJSA-N 1 0 367.369 2.064 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000561130151 674640319 /nfs/dbraw/zinc/64/03/19/674640319.db2.gz NRJFYMUUFAPIMR-UHFFFAOYSA-N 1 0 350.419 2.333 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000561733959 674694494 /nfs/dbraw/zinc/69/44/94/674694494.db2.gz KVHCTOIWDPBLGJ-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)cc1[N+](=O)[O-] ZINC000563445234 674889721 /nfs/dbraw/zinc/88/97/21/674889721.db2.gz AXVMTXFWQKHNPG-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018592 674898653 /nfs/dbraw/zinc/89/86/53/674898653.db2.gz UPFZYDQDAGSIPE-QMMMGPOBSA-N 1 0 353.803 2.006 20 5 FEBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000563859232 674947175 /nfs/dbraw/zinc/94/71/75/674947175.db2.gz XQQVUZPHCYVDBL-GFCCVEGCSA-N 1 0 361.320 2.406 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815595974 674961016 /nfs/dbraw/zinc/96/10/16/674961016.db2.gz HJYLRYSYOZDLKQ-NSHDSACASA-N 1 0 361.423 2.358 20 5 FEBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857745 675069107 /nfs/dbraw/zinc/06/91/07/675069107.db2.gz XXLPJTLFAFBHBM-XHSDSOJGSA-N 1 0 351.447 2.187 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000032663166 670130834 /nfs/dbraw/zinc/13/08/34/670130834.db2.gz SFMYMBHOCBCZAF-LLVKDONJSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047147848 670234998 /nfs/dbraw/zinc/23/49/98/670234998.db2.gz NKGPHDPLRYPRTG-LLVKDONJSA-N 1 0 350.375 2.273 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067393827 670457434 /nfs/dbraw/zinc/45/74/34/670457434.db2.gz WXMXTIKJQYXDIJ-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000068117097 670466510 /nfs/dbraw/zinc/46/65/10/670466510.db2.gz RNUBGSFDYLERHT-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO O=C(CC[NH2+]CCc1cn2c(n1)SCC2)Nc1ccccc1[N+](=O)[O-] ZINC000565359458 675114488 /nfs/dbraw/zinc/11/44/88/675114488.db2.gz ZQMGRVQAHYWBQY-UHFFFAOYSA-N 1 0 361.427 2.058 20 5 FEBDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565427562 675120951 /nfs/dbraw/zinc/12/09/51/675120951.db2.gz QLNFNFUMVHGQIO-SMDDNHRTSA-N 1 0 362.373 2.444 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000817486069 675137645 /nfs/dbraw/zinc/13/76/45/675137645.db2.gz VETHGIGWCVNESY-UHFFFAOYSA-N 1 0 350.375 2.414 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1Cl)C2=O ZINC000571082429 670813754 /nfs/dbraw/zinc/81/37/54/670813754.db2.gz PDRRRNMUWMPTCK-BDJLRTHQSA-N 1 0 366.805 2.188 20 5 FEBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000112916077 670878734 /nfs/dbraw/zinc/87/87/34/670878734.db2.gz CZLICQHHWKZHIZ-UHFFFAOYSA-N 1 0 350.375 2.449 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000573711483 671155150 /nfs/dbraw/zinc/15/51/50/671155150.db2.gz AOIIRXOKHSCWRF-UHFFFAOYSA-N 1 0 354.204 2.325 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000817862272 675183372 /nfs/dbraw/zinc/18/33/72/675183372.db2.gz QLRNZBSIQNPLHK-UHFFFAOYSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000817862638 675183391 /nfs/dbraw/zinc/18/33/91/675183391.db2.gz ZGOGPMPOESRPDI-UHFFFAOYSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1C ZINC000575329449 671309524 /nfs/dbraw/zinc/30/95/24/671309524.db2.gz IERZLIBECQWHSL-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000575429999 671313058 /nfs/dbraw/zinc/31/30/58/671313058.db2.gz KTITWJLEJHTTGU-CYBMUJFWSA-N 1 0 352.410 2.101 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818017888 675191312 /nfs/dbraw/zinc/19/13/12/675191312.db2.gz CFQNTCRBNABVJN-AWEZNQCLSA-N 1 0 354.204 2.325 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000818021367 675191528 /nfs/dbraw/zinc/19/15/28/675191528.db2.gz OJOLTBKRPRKGTE-XVKPBYJWSA-N 1 0 360.183 2.367 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1cccc(F)c1 ZINC000576028992 671338710 /nfs/dbraw/zinc/33/87/10/671338710.db2.gz KBBVYURDLMLABM-CQSZACIVSA-N 1 0 350.346 2.142 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576580861 671379210 /nfs/dbraw/zinc/37/92/10/671379210.db2.gz KACTWEMMENLOTJ-OAGGEKHMSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1nn(CCC(=O)N(CC[NH+](C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000608839552 675905294 /nfs/dbraw/zinc/90/52/94/675905294.db2.gz HODLHGGLVHOHEB-UHFFFAOYSA-N 1 0 351.451 2.131 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000579703302 671754379 /nfs/dbraw/zinc/75/43/79/671754379.db2.gz IPPNZXWDZICYHD-DMDPSCGWSA-N 1 0 350.341 2.111 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000579704160 671754539 /nfs/dbraw/zinc/75/45/39/671754539.db2.gz WXVQWHAESLWDGS-OAHLLOKOSA-N 1 0 369.487 2.079 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000579756108 671758387 /nfs/dbraw/zinc/75/83/87/671758387.db2.gz IPMDWSMAZRVSMC-CYBMUJFWSA-N 1 0 350.346 2.272 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842285 671887927 /nfs/dbraw/zinc/88/79/27/671887927.db2.gz IQMDPNWTBLAFDA-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOC2CCOCC2)n1 ZINC000582466464 672003906 /nfs/dbraw/zinc/00/39/06/672003906.db2.gz XGZLGZSXJLGVBI-HOTGVXAUSA-N 1 0 352.435 2.450 20 5 FEBDRO COC(=O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000610371986 675967997 /nfs/dbraw/zinc/96/79/97/675967997.db2.gz VHDYEYVGOJBQNC-UHFFFAOYSA-N 1 0 352.387 2.018 20 5 FEBDRO Cc1c(C(=O)N2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132579308 672099733 /nfs/dbraw/zinc/09/97/33/672099733.db2.gz RUVDZZUNVUAYQU-UHFFFAOYSA-N 1 0 350.375 2.286 20 5 FEBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000610542495 675978947 /nfs/dbraw/zinc/97/89/47/675978947.db2.gz ZYWIVHAAEBOVFC-OKILXGFUSA-N 1 0 351.451 2.044 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000159933480 672286925 /nfs/dbraw/zinc/28/69/25/672286925.db2.gz RLDATAHWYUVWNH-AWEZNQCLSA-N 1 0 369.487 2.063 20 5 FEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000173089244 672347985 /nfs/dbraw/zinc/34/79/85/672347985.db2.gz RHXGQSAWZBYZDV-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236210 672374507 /nfs/dbraw/zinc/37/45/07/672374507.db2.gz KDJPNPIAFSEQFK-UHFFFAOYSA-N 1 0 353.423 2.123 20 5 FEBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sccc1C(N)=O ZINC000180432197 672413596 /nfs/dbraw/zinc/41/35/96/672413596.db2.gz AOGZPIVUDJYGRE-NXEZZACHSA-N 1 0 362.411 2.433 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000611201666 676024519 /nfs/dbraw/zinc/02/45/19/676024519.db2.gz WTJUFBQJDJQXKT-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205224 676024824 /nfs/dbraw/zinc/02/48/24/676024824.db2.gz OPSSESXCCBBKRK-CHWSQXEVSA-N 1 0 351.403 2.289 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCOC1 ZINC000611205378 676025002 /nfs/dbraw/zinc/02/50/02/676025002.db2.gz ZSPDXQYRCSVJRS-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045376 672556060 /nfs/dbraw/zinc/55/60/60/672556060.db2.gz QEHKSHNBZMFHDX-QMTHXVAHSA-N 1 0 368.231 2.442 20 5 FEBDRO Cc1sc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000590388196 672576697 /nfs/dbraw/zinc/57/66/97/672576697.db2.gz KPNGSEQYVDUHIA-NSHDSACASA-N 1 0 353.444 2.290 20 5 FEBDRO CSc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590398998 672578154 /nfs/dbraw/zinc/57/81/54/672578154.db2.gz BEISQTHAVKJSAJ-ZFWWWQNUSA-N 1 0 365.455 2.252 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c(F)cc1[N+](=O)[O-] ZINC000590589458 672593230 /nfs/dbraw/zinc/59/32/30/672593230.db2.gz WJRAWJAAGQIQIL-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO C[C@H]1CCC[C@H](C)N1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591736059 672706710 /nfs/dbraw/zinc/70/67/10/672706710.db2.gz HQNZUZHSGZJBGT-GJZGRUSLSA-N 1 0 369.487 2.221 20 5 FEBDRO CCOC(=O)Cc1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000591912787 672721073 /nfs/dbraw/zinc/72/10/73/672721073.db2.gz XGQBMECCEBMEHH-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CCO2 ZINC000591991239 672730772 /nfs/dbraw/zinc/73/07/72/672730772.db2.gz HQLLPKVJQNSYQK-UHFFFAOYSA-N 1 0 360.336 2.310 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195232804 672779740 /nfs/dbraw/zinc/77/97/40/672779740.db2.gz QGILHZLVPWSXLS-UHFFFAOYSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000592378408 672794535 /nfs/dbraw/zinc/79/45/35/672794535.db2.gz XZHVDXFIMHCUQT-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592387501 672796315 /nfs/dbraw/zinc/79/63/15/672796315.db2.gz MKFDYLYOJFAECV-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529478 672934935 /nfs/dbraw/zinc/93/49/35/672934935.db2.gz BRWXRNFMHXJOOY-ZIAGYGMSSA-N 1 0 370.475 2.026 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593541334 672937974 /nfs/dbraw/zinc/93/79/74/672937974.db2.gz LQLDMXWXZSMMEO-CYBMUJFWSA-N 1 0 370.475 2.169 20 5 FEBDRO O=C1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000593682069 672978139 /nfs/dbraw/zinc/97/81/39/672978139.db2.gz RLVJDMRMPZKNFK-SNVBAGLBSA-N 1 0 355.341 2.297 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733743 672984857 /nfs/dbraw/zinc/98/48/57/672984857.db2.gz ITTGZJOCJDLPRQ-BXUZGUMPSA-N 1 0 355.460 2.350 20 5 FEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594039561 673024568 /nfs/dbraw/zinc/02/45/68/673024568.db2.gz AFJSPNAMYFLNRY-CVEARBPZSA-N 1 0 356.444 2.306 20 5 FEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594039566 673024922 /nfs/dbraw/zinc/02/49/22/673024922.db2.gz AFJSPNAMYFLNRY-JKSUJKDBSA-N 1 0 356.444 2.306 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000594103058 673031476 /nfs/dbraw/zinc/03/14/76/673031476.db2.gz VACOMKIINOBZSM-JGZJWPJOSA-N 1 0 356.220 2.427 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594476600 673083051 /nfs/dbraw/zinc/08/30/51/673083051.db2.gz UPTCQSUDQLNYMX-PHIMTYICSA-N 1 0 361.851 2.175 20 5 FEBDRO COCC1(C2CCC2)C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594716210 673121810 /nfs/dbraw/zinc/12/18/10/673121810.db2.gz MBHYAKBDDHZLLY-INIZCTEOSA-N 1 0 350.415 2.083 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714665 673121976 /nfs/dbraw/zinc/12/19/76/673121976.db2.gz SCPIGPUPNUDUNV-MRXNPFEDSA-N 1 0 351.447 2.139 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594747990 673127913 /nfs/dbraw/zinc/12/79/13/673127913.db2.gz HKMBYKQZJMBMDG-GFCCVEGCSA-N 1 0 366.443 2.152 20 5 FEBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594781490 673140355 /nfs/dbraw/zinc/14/03/55/673140355.db2.gz QCICASXMDLCGFV-CQSZACIVSA-N 1 0 368.459 2.065 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595112452 673194878 /nfs/dbraw/zinc/19/48/78/673194878.db2.gz ASSKEYIGOCZUGX-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595119340 673196902 /nfs/dbraw/zinc/19/69/02/673196902.db2.gz GSDFTVJWNYVHED-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595119033 673196960 /nfs/dbraw/zinc/19/69/60/673196960.db2.gz YVGBMMWJEWKREM-CHWSQXEVSA-N 1 0 371.459 2.132 20 5 FEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000595120157 673197214 /nfs/dbraw/zinc/19/72/14/673197214.db2.gz OPCDYWAOUAKYDU-UHFFFAOYSA-N 1 0 367.349 2.163 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595121063 673197613 /nfs/dbraw/zinc/19/76/13/673197613.db2.gz USPPSCZQJBXONC-CYBMUJFWSA-N 1 0 353.444 2.110 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1 ZINC000595346746 673228953 /nfs/dbraw/zinc/22/89/53/673228953.db2.gz VSLCOKDLXMMSRU-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595412191 673246059 /nfs/dbraw/zinc/24/60/59/673246059.db2.gz VWTPZAOZURVICH-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000595510462 673259288 /nfs/dbraw/zinc/25/92/88/673259288.db2.gz BRKWTTRXXRISNS-UHFFFAOYSA-N 1 0 357.401 2.446 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462573057 673264144 /nfs/dbraw/zinc/26/41/44/673264144.db2.gz HKRZTJCUFAYADL-OAHLLOKOSA-N 1 0 367.471 2.446 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462706198 673277206 /nfs/dbraw/zinc/27/72/06/673277206.db2.gz RRRSLSVJZYRUMC-GFCCVEGCSA-N 1 0 359.423 2.229 20 5 FEBDRO COc1cc(CN2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000595906994 673337235 /nfs/dbraw/zinc/33/72/35/673337235.db2.gz QGDDEOCIVZFRKR-AWEZNQCLSA-N 1 0 355.410 2.285 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000596074338 673356364 /nfs/dbraw/zinc/35/63/64/673356364.db2.gz RKMKFBCQMLUDMG-HNNXBMFYSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596077326 673356670 /nfs/dbraw/zinc/35/66/70/673356670.db2.gz TWZBEBFIHFQXJR-CYBMUJFWSA-N 1 0 370.475 2.166 20 5 FEBDRO COc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000596267888 673372873 /nfs/dbraw/zinc/37/28/73/673372873.db2.gz BLIXVFFYQGADON-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424788 673384384 /nfs/dbraw/zinc/38/43/84/673384384.db2.gz LNQYPPLXAMWDPD-CYBMUJFWSA-N 1 0 372.491 2.377 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596449392 673385671 /nfs/dbraw/zinc/38/56/71/673385671.db2.gz HQCBSUPTUWWYOJ-LBPRGKRZSA-N 1 0 355.414 2.127 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000733165706 673401420 /nfs/dbraw/zinc/40/14/20/673401420.db2.gz DRSKWDWFUXEHBV-HNNXBMFYSA-N 1 0 351.403 2.088 20 5 FEBDRO C[NH+](C)C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000596665260 673402270 /nfs/dbraw/zinc/40/22/70/673402270.db2.gz AMPSYNWRJXBROR-UHFFFAOYSA-N 1 0 360.336 2.236 20 5 FEBDRO C[C@@H](Cc1ccsc1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537943293 673414742 /nfs/dbraw/zinc/41/47/42/673414742.db2.gz JEKPZVGQTYLXNS-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CCSC1 ZINC000597101148 673448119 /nfs/dbraw/zinc/44/81/19/673448119.db2.gz IXDYZHHEHPYNAS-CQSZACIVSA-N 1 0 373.866 2.389 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)C1 ZINC000734484954 673464618 /nfs/dbraw/zinc/46/46/18/673464618.db2.gz OCMPKZDVQXBKPT-AWEZNQCLSA-N 1 0 361.471 2.421 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693055 673499702 /nfs/dbraw/zinc/49/97/02/673499702.db2.gz ADLSFRBSWQXUGP-CVEARBPZSA-N 1 0 365.455 2.009 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000540471565 673541204 /nfs/dbraw/zinc/54/12/04/673541204.db2.gz MNFIZPXQEDXALB-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542665709 673596009 /nfs/dbraw/zinc/59/60/09/673596009.db2.gz PYKCECMICPZERJ-UHFFFAOYSA-N 1 0 369.487 2.221 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598719404 673603098 /nfs/dbraw/zinc/60/30/98/673603098.db2.gz HVYILCWXUSYNCA-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598985337 673626547 /nfs/dbraw/zinc/62/65/47/673626547.db2.gz OESKHCZIWYJCPI-CQSZACIVSA-N 1 0 350.419 2.005 20 5 FEBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599103276 673633484 /nfs/dbraw/zinc/63/34/84/673633484.db2.gz IDIFHXYJUHTZFX-WPRPVWTQSA-N 1 0 367.349 2.032 20 5 FEBDRO C[C@@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000543400935 673644955 /nfs/dbraw/zinc/64/49/55/673644955.db2.gz PXDTXEUQZXDBFY-JTQLQIEISA-N 1 0 369.365 2.194 20 5 FEBDRO CN(C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000543831002 673672909 /nfs/dbraw/zinc/67/29/09/673672909.db2.gz DNROJEBFZGRMRH-CYBMUJFWSA-N 1 0 355.341 2.362 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000599464948 673679036 /nfs/dbraw/zinc/67/90/36/673679036.db2.gz XXOQYGHMVYMGLF-MRXNPFEDSA-N 1 0 353.444 2.031 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC000544386254 673709322 /nfs/dbraw/zinc/70/93/22/673709322.db2.gz KENSERZJHUNJNE-HZPDHXFCSA-N 1 0 352.456 2.473 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000600212849 673749580 /nfs/dbraw/zinc/74/95/80/673749580.db2.gz IJKMZFWDZWXOEQ-IHWMJMDHSA-N 1 0 367.471 2.259 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])s1 ZINC000601342939 673845337 /nfs/dbraw/zinc/84/53/37/673845337.db2.gz GWWPGXRMDWWHKZ-LBPRGKRZSA-N 1 0 359.473 2.117 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601497007 673870780 /nfs/dbraw/zinc/87/07/80/673870780.db2.gz LVYALECHXFOXSM-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638920 673909131 /nfs/dbraw/zinc/90/91/31/673909131.db2.gz HMJRUFPFBJKXFR-CPCISQLKSA-N 1 0 351.222 2.048 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)cc1[N+](=O)[O-] ZINC000601973186 673900558 /nfs/dbraw/zinc/90/05/58/673900558.db2.gz IYYIRLZHZHISDL-DYVFJYSZSA-N 1 0 365.455 2.095 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000603383532 673928033 /nfs/dbraw/zinc/92/80/33/673928033.db2.gz OPOMRVRCYOEUTA-UHFFFAOYSA-N 1 0 373.862 2.355 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818536174 675224138 /nfs/dbraw/zinc/22/41/38/675224138.db2.gz ZTHNOGBZWVPYRI-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC2(Cl)Cl)cc1 ZINC000818948219 675245382 /nfs/dbraw/zinc/24/53/82/675245382.db2.gz CBNHZKNRWPFOAY-VIFPVBQESA-N 1 0 353.227 2.152 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Cl)nc1 ZINC000819160237 675265383 /nfs/dbraw/zinc/26/53/83/675265383.db2.gz XNVLCLKJUPJHQE-ZDUSSCGKSA-N 1 0 351.790 2.215 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000819197838 675268988 /nfs/dbraw/zinc/26/89/88/675268988.db2.gz MNKWYYQHSSHWOA-AVRGHOLYSA-N 1 0 370.496 2.304 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567378074 675288758 /nfs/dbraw/zinc/28/87/58/675288758.db2.gz OLUAGJALTRPEBV-ZVZYQTTQSA-N 1 0 352.431 2.375 20 5 FEBDRO O=C(C[NH+]1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000822788987 675506917 /nfs/dbraw/zinc/50/69/17/675506917.db2.gz RHVIFQNJXRUCHV-UHFFFAOYSA-N 1 0 368.231 2.338 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825450048 675653578 /nfs/dbraw/zinc/65/35/78/675653578.db2.gz NUWOCCCMTWEYKK-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1(=O)=O ZINC000827165344 675735635 /nfs/dbraw/zinc/73/56/35/675735635.db2.gz XFJJMWADQHDAQS-HIFRSBDPSA-N 1 0 367.471 2.119 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1SC ZINC000827318245 675747733 /nfs/dbraw/zinc/74/77/33/675747733.db2.gz FSRJJYVXJOZLIU-AAEUAGOBSA-N 1 0 365.455 2.492 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCOC2 ZINC000616365672 676247521 /nfs/dbraw/zinc/24/75/21/676247521.db2.gz IBZDWYSGEADCCT-LBPRGKRZSA-N 1 0 363.443 2.377 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000619498493 676381934 /nfs/dbraw/zinc/38/19/34/676381934.db2.gz MRKOBBUYQYPGMK-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C1CCOCC1 ZINC000761524503 680725779 /nfs/dbraw/zinc/72/57/79/680725779.db2.gz DYNXZHLRBIQPNK-CQSZACIVSA-N 1 0 353.806 2.118 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839165471 680742487 /nfs/dbraw/zinc/74/24/87/680742487.db2.gz OOZANQIDHNALDH-UHFFFAOYSA-N 1 0 369.849 2.219 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000765491608 680843853 /nfs/dbraw/zinc/84/38/53/680843853.db2.gz WBVVUGCSEZFVBI-ZFWWWQNUSA-N 1 0 370.247 2.393 20 5 FEBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C[NH+](C)C ZINC000831713905 680030823 /nfs/dbraw/zinc/03/08/23/680030823.db2.gz QXQYEUHNHVKYHC-CQSZACIVSA-N 1 0 353.419 2.079 20 5 FEBDRO Cc1ccc2sc(C[NH2+][C@H]3C[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nc2c1 ZINC001020139947 680101158 /nfs/dbraw/zinc/10/11/58/680101158.db2.gz RIWLKKDGLBSJOZ-HKUMRIAESA-N 1 0 360.439 2.007 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000832644697 680158956 /nfs/dbraw/zinc/15/89/56/680158956.db2.gz AXTIRWILBAYEPR-LBPRGKRZSA-N 1 0 353.423 2.169 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778209 680175609 /nfs/dbraw/zinc/17/56/09/680175609.db2.gz JMJTUNGPINYZPG-AWEZNQCLSA-N 1 0 352.410 2.477 20 5 FEBDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071838 680221952 /nfs/dbraw/zinc/22/19/52/680221952.db2.gz ZDJUJBLGONDEAY-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752255551 680232399 /nfs/dbraw/zinc/23/23/99/680232399.db2.gz RJAAJVHLIFFLJF-MNOVXSKESA-N 1 0 361.851 2.318 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650654 680317829 /nfs/dbraw/zinc/31/78/29/680317829.db2.gz XWSZEHMLDQSLRN-QGMIFYJMSA-N 1 0 355.797 2.129 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000836090272 680419708 /nfs/dbraw/zinc/41/97/08/680419708.db2.gz XGZKBAWPHYHPGP-LBPRGKRZSA-N 1 0 368.821 2.128 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202392 680434814 /nfs/dbraw/zinc/43/48/14/680434814.db2.gz JCVWAUYJCJRBJQ-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001040701303 680483814 /nfs/dbraw/zinc/48/38/14/680483814.db2.gz XXBMDLXXVFOFPZ-ZIAGYGMSSA-N 1 0 357.401 2.011 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC001002787394 680508357 /nfs/dbraw/zinc/50/83/57/680508357.db2.gz JMJDTJRRKHEWLM-GDBMZVCRSA-N 1 0 351.834 2.394 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000836788146 680514259 /nfs/dbraw/zinc/51/42/59/680514259.db2.gz OPSXRIYPPAVDQV-UHFFFAOYSA-N 1 0 368.865 2.312 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC([NH+]2CCCC2)C1 ZINC000912324930 685353317 /nfs/dbraw/zinc/35/33/17/685353317.db2.gz LFOQSQLOQMPUFN-UHFFFAOYSA-N 1 0 353.806 2.324 20 5 FEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837303117 680584846 /nfs/dbraw/zinc/58/48/46/680584846.db2.gz VOKASODMLWUNRL-IONNQARKSA-N 1 0 360.183 2.448 20 5 FEBDRO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842475054 680949275 /nfs/dbraw/zinc/94/92/75/680949275.db2.gz JNNWVMAGFONDDB-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO Cc1nn(CCC(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842833611 680970438 /nfs/dbraw/zinc/97/04/38/680970438.db2.gz MFINVEAFDIPYPA-HNNXBMFYSA-N 1 0 352.435 2.462 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)cc1 ZINC000843116962 680988668 /nfs/dbraw/zinc/98/86/68/680988668.db2.gz XEKQYRIOPLITLR-YVEFUNNKSA-N 1 0 365.817 2.117 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)[NH2+]1 ZINC000843344300 680999177 /nfs/dbraw/zinc/99/91/77/680999177.db2.gz UNRQADFQKDPGJD-OCAPTIKFSA-N 1 0 360.183 2.319 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000843368630 681000173 /nfs/dbraw/zinc/00/01/73/681000173.db2.gz PYBCLIKVIYWPRW-BZNIZROVSA-N 1 0 352.822 2.261 20 5 FEBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843387845 681000826 /nfs/dbraw/zinc/00/08/26/681000826.db2.gz WRDSJHBUUMIOGK-TXEJJXNPSA-N 1 0 352.822 2.118 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000771203601 681046768 /nfs/dbraw/zinc/04/67/68/681046768.db2.gz HNJJGEGSRBPQDC-LBPRGKRZSA-N 1 0 352.410 2.323 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844372810 681055048 /nfs/dbraw/zinc/05/50/48/681055048.db2.gz FOYRXPFOCKTYSU-MRXNPFEDSA-N 1 0 350.806 2.428 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000932150694 681184308 /nfs/dbraw/zinc/18/43/08/681184308.db2.gz FELKVIQYSXVZLV-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1C[NH+]2CCC1CC2 ZINC000932538337 681261647 /nfs/dbraw/zinc/26/16/47/681261647.db2.gz IBOUEBGLTBRYKR-LLVKDONJSA-N 1 0 356.785 2.136 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000847183459 681341740 /nfs/dbraw/zinc/34/17/40/681341740.db2.gz LMFGIQLDIGZCBW-JGZJWPJOSA-N 1 0 356.220 2.427 20 5 FEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000933485375 681419725 /nfs/dbraw/zinc/41/97/25/681419725.db2.gz CDUMPCRSLJEOMR-SNVBAGLBSA-N 1 0 371.235 2.106 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933872239 681477460 /nfs/dbraw/zinc/47/74/60/681477460.db2.gz MDUSGIFGUMRUPN-WMLDXEAASA-N 1 0 350.415 2.416 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352523 681528019 /nfs/dbraw/zinc/52/80/19/681528019.db2.gz QHSYCRUUUQBSHO-WCQYABFASA-N 1 0 361.427 2.346 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848580595 681581863 /nfs/dbraw/zinc/58/18/63/681581863.db2.gz AFJUHKUJPZRKSM-UHFFFAOYSA-N 1 0 357.357 2.367 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848586703 681584476 /nfs/dbraw/zinc/58/44/76/681584476.db2.gz CDYBRVDKAUNVLY-LBPRGKRZSA-N 1 0 357.357 2.367 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912914629 685466606 /nfs/dbraw/zinc/46/66/06/685466606.db2.gz BWYJRFVKTXDASE-SNVBAGLBSA-N 1 0 372.194 2.417 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849411486 681719949 /nfs/dbraw/zinc/71/99/49/681719949.db2.gz LFPVJRBIVUAZKH-LBPRGKRZSA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849468034 681751118 /nfs/dbraw/zinc/75/11/18/681751118.db2.gz CCDMYHUWGLBAJH-GFCCVEGCSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000935481360 681759686 /nfs/dbraw/zinc/75/96/86/681759686.db2.gz JZGGJSVFWAVBMI-STQMWFEESA-N 1 0 369.849 2.094 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000935481357 681760053 /nfs/dbraw/zinc/76/00/53/681760053.db2.gz JZGGJSVFWAVBMI-CHWSQXEVSA-N 1 0 369.849 2.094 20 5 FEBDRO COc1cc(CN2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000780302180 681813050 /nfs/dbraw/zinc/81/30/50/681813050.db2.gz PISBMKSMVTXUPY-NSHDSACASA-N 1 0 359.373 2.383 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850505250 681909776 /nfs/dbraw/zinc/90/97/76/681909776.db2.gz PYHHPODYSPVRTA-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850507607 681909923 /nfs/dbraw/zinc/90/99/23/681909923.db2.gz OXUUPABESYKMJI-JTQLQIEISA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000781629655 681954275 /nfs/dbraw/zinc/95/42/75/681954275.db2.gz XWKZPKQFEUBHCF-LLVKDONJSA-N 1 0 350.375 2.035 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000783317914 682134386 /nfs/dbraw/zinc/13/43/86/682134386.db2.gz XJXIERFWUKXFBW-LLVKDONJSA-N 1 0 368.821 2.033 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000783651298 682163048 /nfs/dbraw/zinc/16/30/48/682163048.db2.gz CBHODVMBYRIDBR-DOMZBBRYSA-N 1 0 374.846 2.074 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000917061851 685529365 /nfs/dbraw/zinc/52/93/65/685529365.db2.gz AOGJZGQBHJLHCG-NSHDSACASA-N 1 0 350.375 2.200 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000917656175 685533569 /nfs/dbraw/zinc/53/35/69/685533569.db2.gz XOSXWZVGGJKKOP-RYUDHWBXSA-N 1 0 373.862 2.462 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000918351743 685538549 /nfs/dbraw/zinc/53/85/49/685538549.db2.gz NNNBOSSNAVYKKR-HUUCEWRRSA-N 1 0 373.862 2.211 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000917909471 685535657 /nfs/dbraw/zinc/53/56/57/685535657.db2.gz UCYDCVWMIWITMA-MNOVXSKESA-N 1 0 359.835 2.153 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)nn1 ZINC000853015815 682364141 /nfs/dbraw/zinc/36/41/41/682364141.db2.gz GCCJFDUFJGUGFD-JTQLQIEISA-N 1 0 354.773 2.279 20 5 FEBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853131643 682380292 /nfs/dbraw/zinc/38/02/92/682380292.db2.gz SMAXHZCIKBBSAX-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO COC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000788428419 682529430 /nfs/dbraw/zinc/52/94/30/682529430.db2.gz DXWPQSDGOMQULB-ZIAGYGMSSA-N 1 0 351.407 2.095 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855160144 682634073 /nfs/dbraw/zinc/63/40/73/682634073.db2.gz OJHMZEVUSCQKFI-LLVKDONJSA-N 1 0 350.375 2.353 20 5 FEBDRO Cc1cc(F)cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000856429547 682781231 /nfs/dbraw/zinc/78/12/31/682781231.db2.gz KVJIZRHROQWUOY-CQSZACIVSA-N 1 0 353.394 2.225 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857085157 682852762 /nfs/dbraw/zinc/85/27/62/682852762.db2.gz ABUVVGYNBAIVGQ-OHUAYANFSA-N 1 0 352.822 2.388 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000858620229 682986235 /nfs/dbraw/zinc/98/62/35/682986235.db2.gz UUNWXJOMECAJHK-CYBMUJFWSA-N 1 0 359.835 2.120 20 5 FEBDRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000925904294 683049985 /nfs/dbraw/zinc/04/99/85/683049985.db2.gz JDXBKOANRLSTFL-UHFFFAOYSA-N 1 0 369.853 2.445 20 5 FEBDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@@H]1C(C)C ZINC000926263153 683100158 /nfs/dbraw/zinc/10/01/58/683100158.db2.gz OQAKSPLTIVDRBQ-BKBUGSPTSA-N 1 0 367.471 2.256 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093616 683382463 /nfs/dbraw/zinc/38/24/63/683382463.db2.gz DITRSSMMFDLOJY-GOEBONIOSA-N 1 0 360.439 2.386 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093146 683382557 /nfs/dbraw/zinc/38/25/57/683382557.db2.gz LHLGNXMNNHDKFN-SWLSCSKDSA-N 1 0 360.439 2.386 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928100794 683391940 /nfs/dbraw/zinc/39/19/40/683391940.db2.gz ZPHPTTFULYVRAV-ZBFHGGJFSA-N 1 0 364.471 2.093 20 5 FEBDRO C[C@@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000921365740 683442570 /nfs/dbraw/zinc/44/25/70/683442570.db2.gz SWKSTLSENHZCAS-CJNGLKHVSA-N 1 0 353.444 2.061 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000929832716 683644504 /nfs/dbraw/zinc/64/45/04/683644504.db2.gz DZBSSPGTYLUKGR-JOYOIKCWSA-N 1 0 356.329 2.364 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000862960442 683656195 /nfs/dbraw/zinc/65/61/95/683656195.db2.gz KSYJEXWZMBYRHN-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930684692 683771080 /nfs/dbraw/zinc/77/10/80/683771080.db2.gz QDBGELFJGCQIOY-LSDHHAIUSA-N 1 0 357.451 2.047 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866820845 684160863 /nfs/dbraw/zinc/16/08/63/684160863.db2.gz WVKVOJJWNCKPBJ-DGCLKSJQSA-N 1 0 373.862 2.319 20 5 FEBDRO C[N@@H+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931311153 684259429 /nfs/dbraw/zinc/25/94/29/684259429.db2.gz OETGWLDNWZPCDP-CALCHBBNSA-N 1 0 366.849 2.460 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867621534 684334472 /nfs/dbraw/zinc/33/44/72/684334472.db2.gz VBILCXHENYWQPJ-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867812314 684397001 /nfs/dbraw/zinc/39/70/01/684397001.db2.gz JORMSFLECSCYMW-AAEUAGOBSA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000924798198 684494008 /nfs/dbraw/zinc/49/40/08/684494008.db2.gz LPDNTBTZCZRKKM-OLZOCXBDSA-N 1 0 355.460 2.306 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925237362 684543446 /nfs/dbraw/zinc/54/34/46/684543446.db2.gz JMZGXWQQBDRVLE-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691600 684578687 /nfs/dbraw/zinc/57/86/87/684578687.db2.gz IURQXXYHDXAEER-STQMWFEESA-N 1 0 355.460 2.306 20 5 FEBDRO CC[C@@H](C[NH+](C)C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000870552391 684729693 /nfs/dbraw/zinc/72/96/93/684729693.db2.gz VMYYWMYAYVQBLB-NWDGAFQWSA-N 1 0 369.443 2.144 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000872085890 684918600 /nfs/dbraw/zinc/91/86/00/684918600.db2.gz RSUYUULCOBNHKB-LRDDRELGSA-N 1 0 356.444 2.135 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000872662595 685000214 /nfs/dbraw/zinc/00/02/14/685000214.db2.gz JCSDVNVIMXZIOK-HUUCEWRRSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665110 685001140 /nfs/dbraw/zinc/00/11/40/685001140.db2.gz OVZHHLKBYKZEDN-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cn1 ZINC000911475106 685214939 /nfs/dbraw/zinc/21/49/39/685214939.db2.gz QSOJWIXWWXQYTN-UHFFFAOYSA-N 1 0 350.325 2.260 20 5 FEBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876654265 686237671 /nfs/dbraw/zinc/23/76/71/686237671.db2.gz ARLFRRCLBVBFKM-CQSZACIVSA-N 1 0 351.451 2.237 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877280838 686347609 /nfs/dbraw/zinc/34/76/09/686347609.db2.gz JGHWFWVZALTLLV-ZIAGYGMSSA-N 1 0 365.455 2.190 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877371773 686368032 /nfs/dbraw/zinc/36/80/32/686368032.db2.gz VNPUWEQBSZOFHJ-XVKPBYJWSA-N 1 0 351.712 2.457 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154485 686531165 /nfs/dbraw/zinc/53/11/65/686531165.db2.gz VRDAGGHERXACLX-ZDUSSCGKSA-N 1 0 353.423 2.041 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878458703 686589584 /nfs/dbraw/zinc/58/95/84/686589584.db2.gz SPNPWMBYFIZXEZ-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@](CO)([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273605 686784735 /nfs/dbraw/zinc/78/47/35/686784735.db2.gz WRBQXNVPFZLSCS-IAGOWNOFSA-N 1 0 350.415 2.120 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000879575056 686860545 /nfs/dbraw/zinc/86/05/45/686860545.db2.gz ILCZEUOIKSWDFM-XHDPSFHLSA-N 1 0 352.822 2.213 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881469010 687136519 /nfs/dbraw/zinc/13/65/19/687136519.db2.gz GMJDGFOHDGATHV-ZDUSSCGKSA-N 1 0 351.378 2.107 20 5 FEBDRO COc1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000882508991 687381565 /nfs/dbraw/zinc/38/15/65/687381565.db2.gz WUAQUMGAYLCKAG-UHFFFAOYSA-N 1 0 351.378 2.443 20 5 FEBDRO COc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000882725908 687457578 /nfs/dbraw/zinc/45/75/78/687457578.db2.gz DXTIAKFFIRZTQX-ZDUSSCGKSA-N 1 0 353.394 2.480 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000885875052 688175701 /nfs/dbraw/zinc/17/57/01/688175701.db2.gz DVCYFDDZADSUEE-LBPRGKRZSA-N 1 0 353.806 2.231 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564337 688275460 /nfs/dbraw/zinc/27/54/60/688275460.db2.gz SZPDZENZRLPXGK-UTUOFQBUSA-N 1 0 351.428 2.225 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887930388 688522162 /nfs/dbraw/zinc/52/21/62/688522162.db2.gz GOXHTWMZDQVSPG-ABAIWWIYSA-N 1 0 368.231 2.381 20 5 FEBDRO COc1c(O)ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135211 689302051 /nfs/dbraw/zinc/30/20/51/689302051.db2.gz NQBDDTISBBFVAB-BLLLJJGKSA-N 1 0 354.428 2.453 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000895246672 689683967 /nfs/dbraw/zinc/68/39/67/689683967.db2.gz OZZMNIMGCSWMQH-IINYFYTJSA-N 1 0 370.837 2.081 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000895928775 689795127 /nfs/dbraw/zinc/79/51/27/689795127.db2.gz VEDPSUFXPQEDHR-GXTWGEPZSA-N 1 0 352.387 2.146 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000900595510 690536279 /nfs/dbraw/zinc/53/62/79/690536279.db2.gz HAEOMPLTCOXHCF-JTQLQIEISA-N 1 0 366.219 2.464 20 5 FEBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc([N+](=O)[O-])c1 ZINC000903117701 690846725 /nfs/dbraw/zinc/84/67/25/690846725.db2.gz FMMXGAGIQBYRJV-NOZJJQNGSA-N 1 0 361.320 2.417 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000905433523 691118584 /nfs/dbraw/zinc/11/85/84/691118584.db2.gz YBFKHYWXYLFNLO-ZDUSSCGKSA-N 1 0 351.790 2.481 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+](C)C ZINC000906373397 691259578 /nfs/dbraw/zinc/25/95/78/691259578.db2.gz TYRREHYMLBPAQJ-LLVKDONJSA-N 1 0 374.235 2.054 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000907853987 691570759 /nfs/dbraw/zinc/57/07/59/691570759.db2.gz RNTFRPDUWXNOHX-UHFFFAOYSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000908503990 691690739 /nfs/dbraw/zinc/69/07/39/691690739.db2.gz RTXXSDKDDHRMOL-SNVBAGLBSA-N 1 0 352.822 2.387 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910295115 691912975 /nfs/dbraw/zinc/91/29/75/691912975.db2.gz VBXONQGDBYGFET-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164905978 721562416 /nfs/dbraw/zinc/56/24/16/721562416.db2.gz IHQXKDWKIAGPRW-ZBFHGGJFSA-N 1 0 373.388 2.174 20 5 FEBDRO COc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001165048252 721970072 /nfs/dbraw/zinc/97/00/72/721970072.db2.gz NFDYGTGIUKZRTK-CYBMUJFWSA-N 1 0 365.434 2.247 20 5 FEBDRO O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c2c1 ZINC001165053189 722012165 /nfs/dbraw/zinc/01/21/65/722012165.db2.gz AKXDTCHBHCLEDH-UHFFFAOYSA-N 1 0 364.409 2.298 20 5 FEBDRO O=[N+]([O-])c1ccc2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2c1 ZINC001164966822 722070562 /nfs/dbraw/zinc/07/05/62/722070562.db2.gz DRRDDDNBBMYUMR-CALCHBBNSA-N 1 0 354.410 2.442 20 5 FEBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485393939 852139690 /nfs/dbraw/zinc/13/96/90/852139690.db2.gz DSQKNIWCPHDOOW-OAHLLOKOSA-N 1 0 359.405 2.454 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000008055696 539475530 /nfs/dbraw/zinc/47/55/30/539475530.db2.gz NOKYFBZAXLVLAK-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000018898850 539650004 /nfs/dbraw/zinc/65/00/04/539650004.db2.gz YIUWZOQPCYNGSS-UHFFFAOYSA-N 1 0 354.410 2.324 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000026153374 539778197 /nfs/dbraw/zinc/77/81/97/539778197.db2.gz NPSJFDMMFLQRBG-LJQANCHMSA-N 1 0 368.437 2.313 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027581183 539810943 /nfs/dbraw/zinc/81/09/43/539810943.db2.gz NBDSRVVDDOAZFZ-QGZVFWFLSA-N 1 0 357.410 2.263 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032441074 539939015 /nfs/dbraw/zinc/93/90/15/539939015.db2.gz GIVICHSIPYKUAU-KGLIPLIRSA-N 1 0 355.460 2.444 20 5 FEBDRO CCOc1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032297018 539933560 /nfs/dbraw/zinc/93/35/60/539933560.db2.gz HXJVWKRQQWATKG-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000042687059 540073817 /nfs/dbraw/zinc/07/38/17/540073817.db2.gz YJDGBEHPFQCQHS-UHFFFAOYSA-N 1 0 362.430 2.162 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000045279556 540208683 /nfs/dbraw/zinc/20/86/83/540208683.db2.gz DSRHHELHIAGDCO-OAHLLOKOSA-N 1 0 367.409 2.374 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046878848 540275047 /nfs/dbraw/zinc/27/50/47/540275047.db2.gz UQAKYURZJDPGER-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047105124 540289582 /nfs/dbraw/zinc/28/95/82/540289582.db2.gz CICUXGWQCOUCMR-JKSUJKDBSA-N 1 0 373.457 2.053 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000047923189 540334444 /nfs/dbraw/zinc/33/44/44/540334444.db2.gz LSOGMDYQVYJARX-CQSZACIVSA-N 1 0 351.403 2.072 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048669096 540369371 /nfs/dbraw/zinc/36/93/71/540369371.db2.gz LKANVFKJZSJYAE-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000052936974 540501109 /nfs/dbraw/zinc/50/11/09/540501109.db2.gz QXKADTRINMKYBA-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)nc2)CC1 ZINC000056849551 540750546 /nfs/dbraw/zinc/75/05/46/540750546.db2.gz IBVUMWSZRYWHQF-UHFFFAOYSA-N 1 0 359.361 2.133 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000063865470 541190085 /nfs/dbraw/zinc/19/00/85/541190085.db2.gz KSHHUDVANZQXNA-ZDUSSCGKSA-N 1 0 363.414 2.233 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039490 541224105 /nfs/dbraw/zinc/22/41/05/541224105.db2.gz XYHIZBNODBTCCE-UHFFFAOYSA-N 1 0 361.442 2.239 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@@H+]1CCCC[C@H]1C ZINC000066307297 541299805 /nfs/dbraw/zinc/29/98/05/541299805.db2.gz PUBPGLMJKCZJSZ-OLZOCXBDSA-N 1 0 363.414 2.359 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067269572 541438524 /nfs/dbraw/zinc/43/85/24/541438524.db2.gz JYURSRQZTBIWAC-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067206558 541433047 /nfs/dbraw/zinc/43/30/47/541433047.db2.gz ALGIFJVPLJFLJF-HNNXBMFYSA-N 1 0 357.414 2.009 20 5 FEBDRO CCCCN(C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000067949542 541532307 /nfs/dbraw/zinc/53/23/07/541532307.db2.gz WWJNOFFBHNUBQO-UHFFFAOYSA-N 1 0 372.491 2.061 20 5 FEBDRO COc1cccc(OC)c1OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000067976872 541535207 /nfs/dbraw/zinc/53/52/07/541535207.db2.gz CVCKUELQDCEKLC-OAHLLOKOSA-N 1 0 362.382 2.142 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068310187 541574993 /nfs/dbraw/zinc/57/49/93/541574993.db2.gz UCYKLTBYBHFHJS-CQSZACIVSA-N 1 0 359.430 2.173 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000068525234 541603891 /nfs/dbraw/zinc/60/38/91/541603891.db2.gz GWIIXGZFFAITMS-OAHLLOKOSA-N 1 0 363.462 2.403 20 5 FEBDRO Cn1cc(C[NH2+]CCOC[C@@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068993160 541646785 /nfs/dbraw/zinc/64/67/85/541646785.db2.gz SBFZOUNCYYJONO-CQSZACIVSA-N 1 0 360.414 2.138 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)C[C@@H](C)O1 ZINC000071952674 541776538 /nfs/dbraw/zinc/77/65/38/541776538.db2.gz KVBKYHNBRGCOTO-CHWSQXEVSA-N 1 0 372.429 2.188 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000071898731 541775029 /nfs/dbraw/zinc/77/50/29/541775029.db2.gz UHJZIMYMRCOIJT-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000072914646 541893894 /nfs/dbraw/zinc/89/38/94/541893894.db2.gz XSADCXIPQFJWFV-KRWDZBQOSA-N 1 0 360.414 2.040 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078207800 542448613 /nfs/dbraw/zinc/44/86/13/542448613.db2.gz HKTKMMICEROVGL-APHBMKBZSA-N 1 0 360.370 2.059 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000080544388 542594076 /nfs/dbraw/zinc/59/40/76/542594076.db2.gz DOGAUZFJRVOORJ-UHFFFAOYSA-N 1 0 356.430 2.317 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081032598 542626326 /nfs/dbraw/zinc/62/63/26/542626326.db2.gz NZEQVSGFCUMIFY-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000081364188 542651075 /nfs/dbraw/zinc/65/10/75/542651075.db2.gz HNCIQTHVRJTDLN-CYBMUJFWSA-N 1 0 353.394 2.303 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081634704 542670045 /nfs/dbraw/zinc/67/00/45/542670045.db2.gz QWGNMOXVFLTRSJ-QFBILLFUSA-N 1 0 372.469 2.364 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932839 542775864 /nfs/dbraw/zinc/77/58/64/542775864.db2.gz TVSLTQCTWGMTNF-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCn1cnnc1C1CC1 ZINC000090033830 542780996 /nfs/dbraw/zinc/78/09/96/542780996.db2.gz FCHKBBWYHNFEAT-GFCCVEGCSA-N 1 0 358.402 2.071 20 5 FEBDRO CCc1nn(C)c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000091744172 542823213 /nfs/dbraw/zinc/82/32/13/542823213.db2.gz RSEWEDXZQUBDFA-GJZGRUSLSA-N 1 0 351.451 2.071 20 5 FEBDRO COC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092643656 542876675 /nfs/dbraw/zinc/87/66/75/542876675.db2.gz FTULDKOZCHAURB-AWEZNQCLSA-N 1 0 358.398 2.380 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490132 543071936 /nfs/dbraw/zinc/07/19/36/543071936.db2.gz VRACQCOPYUGLDV-KBPBESRZSA-N 1 0 365.478 2.399 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285313 543101223 /nfs/dbraw/zinc/10/12/23/543101223.db2.gz SVVBULWKLPMHLG-ZJUUUORDSA-N 1 0 373.356 2.291 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000104733272 543140287 /nfs/dbraw/zinc/14/02/87/543140287.db2.gz SEGKNEZYTJSKGV-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000109786304 543338449 /nfs/dbraw/zinc/33/84/49/543338449.db2.gz RXUWVIVULANHTH-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000110490477 543359427 /nfs/dbraw/zinc/35/94/27/543359427.db2.gz XBBBOTLJMZUPOO-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113305702 543483661 /nfs/dbraw/zinc/48/36/61/543483661.db2.gz DEMVOHUDEJORMD-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000116126587 543599745 /nfs/dbraw/zinc/59/97/45/543599745.db2.gz IWKCJOXSFFVRBB-MRXNPFEDSA-N 1 0 374.445 2.272 20 5 FEBDRO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123796461 543783469 /nfs/dbraw/zinc/78/34/69/543783469.db2.gz YLUIBPVBJBUCJQ-LLVKDONJSA-N 1 0 359.473 2.260 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123957548 543793525 /nfs/dbraw/zinc/79/35/25/543793525.db2.gz FMLBXBKUQLXJSQ-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125573037 543889358 /nfs/dbraw/zinc/88/93/58/543889358.db2.gz UNHHDUWUDRTBKR-PBHICJAKSA-N 1 0 374.441 2.222 20 5 FEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CC1 ZINC000126108108 543918482 /nfs/dbraw/zinc/91/84/82/543918482.db2.gz NGGBQTCFPCOMLM-UHFFFAOYSA-N 1 0 363.462 2.301 20 5 FEBDRO CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)NCC[NH+](C)C ZINC000129494062 544115853 /nfs/dbraw/zinc/11/58/53/544115853.db2.gz ACBBCRSLCQNUAI-ZDUSSCGKSA-N 1 0 357.842 2.148 20 5 FEBDRO Cc1nccn1CCC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130488732 544152925 /nfs/dbraw/zinc/15/29/25/544152925.db2.gz NQTUUMMHSBMBGA-UHFFFAOYSA-N 1 0 373.413 2.420 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131457846 544191049 /nfs/dbraw/zinc/19/10/49/544191049.db2.gz FVOPTILTMJOWLU-HNNXBMFYSA-N 1 0 366.849 2.162 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000131270830 544183215 /nfs/dbraw/zinc/18/32/15/544183215.db2.gz HINQGRRLFUBSTC-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131665867 544200961 /nfs/dbraw/zinc/20/09/61/544200961.db2.gz HBQPEWXRGVQPMJ-HNNXBMFYSA-N 1 0 367.471 2.040 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000133530845 544274188 /nfs/dbraw/zinc/27/41/88/544274188.db2.gz MAYVGVOJETWHGP-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO CC[C@@H](C)[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000135300741 544340937 /nfs/dbraw/zinc/34/09/37/544340937.db2.gz OYDYULKNYVKCRB-OLZOCXBDSA-N 1 0 372.491 2.281 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000137175184 544385856 /nfs/dbraw/zinc/38/58/56/544385856.db2.gz LANZJOJLOAYTCQ-BBRMVZONSA-N 1 0 362.430 2.229 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141604991 544413737 /nfs/dbraw/zinc/41/37/37/544413737.db2.gz JCQPJWZGXSNZID-INIZCTEOSA-N 1 0 355.398 2.091 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000153333925 544762069 /nfs/dbraw/zinc/76/20/69/544762069.db2.gz PXJYBHRAMGERPA-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153738298 544816108 /nfs/dbraw/zinc/81/61/08/544816108.db2.gz JNVAJHDHCILSAJ-AWEZNQCLSA-N 1 0 353.854 2.250 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000154109927 544864639 /nfs/dbraw/zinc/86/46/39/544864639.db2.gz SKPUNDGLPANRLN-CYBMUJFWSA-N 1 0 367.471 2.405 20 5 FEBDRO O=C(CN1CC[C@@H](Oc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120360 544866883 /nfs/dbraw/zinc/86/68/83/544866883.db2.gz DDZPSQLOUPMEJE-QGZVFWFLSA-N 1 0 368.393 2.032 20 5 FEBDRO C[NH+](C)C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000155262483 545006432 /nfs/dbraw/zinc/00/64/32/545006432.db2.gz MDFCQDFALPLNTQ-INIZCTEOSA-N 1 0 360.414 2.055 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000552906249 674229469 /nfs/dbraw/zinc/22/94/69/674229469.db2.gz SXJOIVMQKSJRDF-AWEZNQCLSA-N 1 0 350.419 2.617 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179525983 327648016 /nfs/dbraw/zinc/64/80/16/327648016.db2.gz WODLEXGGUMHMTD-INIZCTEOSA-N 1 0 367.471 2.027 20 5 FEBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181667355 327741154 /nfs/dbraw/zinc/74/11/54/327741154.db2.gz FODUVPIKWNQGGI-DLBZAZTESA-N 1 0 350.394 2.148 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929434 327753276 /nfs/dbraw/zinc/75/32/76/327753276.db2.gz RXUIJWCXOHVXAP-OAHLLOKOSA-N 1 0 369.487 2.032 20 5 FEBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007849 327756648 /nfs/dbraw/zinc/75/66/48/327756648.db2.gz LVJZGGLSTAEOEJ-IUODEOHRSA-N 1 0 362.430 2.336 20 5 FEBDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000182677883 327784340 /nfs/dbraw/zinc/78/43/40/327784340.db2.gz YFWWQNWUMWENTL-GFCCVEGCSA-N 1 0 370.837 2.279 20 5 FEBDRO CN(C)c1cc[nH+]cc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000183398474 327815338 /nfs/dbraw/zinc/81/53/38/327815338.db2.gz MTOROJHWKCFZOK-UHFFFAOYSA-N 1 0 355.398 2.018 20 5 FEBDRO CC1CC[NH+](CCCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000183786780 327836157 /nfs/dbraw/zinc/83/61/57/327836157.db2.gz DPYVFVCAVNVAJJ-UHFFFAOYSA-N 1 0 370.475 2.166 20 5 FEBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000186721097 327978309 /nfs/dbraw/zinc/97/83/09/327978309.db2.gz SIDBCQLQDURTHU-KRWDZBQOSA-N 1 0 351.403 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC1([NH+](C)C)CCC1 ZINC000187001575 327996261 /nfs/dbraw/zinc/99/62/61/327996261.db2.gz SRZPTXAXDDKJPT-ZDUSSCGKSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023930 328060918 /nfs/dbraw/zinc/06/09/18/328060918.db2.gz BSFQBLSDCBQJBX-YVEFUNNKSA-N 1 0 351.403 2.025 20 5 FEBDRO CCN(CC(N)=O)Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188069349 328063640 /nfs/dbraw/zinc/06/36/40/328063640.db2.gz RWWCXDIHRSTZNO-UHFFFAOYSA-N 1 0 373.409 2.490 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188214896 328073756 /nfs/dbraw/zinc/07/37/56/328073756.db2.gz DPKCKWJFMBKIEO-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000188255776 328076152 /nfs/dbraw/zinc/07/61/52/328076152.db2.gz MLTOSXAOVNNEBP-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000189110854 328129203 /nfs/dbraw/zinc/12/92/03/328129203.db2.gz ZXBIBNGBWKCEQD-MRXNPFEDSA-N 1 0 357.476 2.381 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000189129435 328130097 /nfs/dbraw/zinc/13/00/97/328130097.db2.gz MZYBDEMCJJZFMD-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1(O)CCOCC1 ZINC000189792379 328168314 /nfs/dbraw/zinc/16/83/14/328168314.db2.gz GDYIALHFNUSQPP-NSHDSACASA-N 1 0 371.821 2.049 20 5 FEBDRO Cc1c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190046052 328184263 /nfs/dbraw/zinc/18/42/63/328184263.db2.gz GLDWJBDYVCEFRB-GFCCVEGCSA-N 1 0 350.419 2.212 20 5 FEBDRO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201368 328253720 /nfs/dbraw/zinc/25/37/20/328253720.db2.gz QLXOSSODZBHFSB-XNRPHZJLSA-N 1 0 372.381 2.418 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000191645759 328275583 /nfs/dbraw/zinc/27/55/83/328275583.db2.gz XYXFPRVUGDRXFS-INIZCTEOSA-N 1 0 371.441 2.405 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000191759959 328280239 /nfs/dbraw/zinc/28/02/39/328280239.db2.gz JGDZUZLQUCYOQB-HNNXBMFYSA-N 1 0 357.414 2.378 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191829759 328283832 /nfs/dbraw/zinc/28/38/32/328283832.db2.gz UUWLIFXJTDZYNH-UKRRQHHQSA-N 1 0 363.414 2.363 20 5 FEBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000192038006 328296005 /nfs/dbraw/zinc/29/60/05/328296005.db2.gz FVFPSAFJVIUOJH-QWRGUYRKSA-N 1 0 374.363 2.246 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000192519150 328323392 /nfs/dbraw/zinc/32/33/92/328323392.db2.gz SRLZYMLADOHNGT-UHFFFAOYSA-N 1 0 359.430 2.393 20 5 FEBDRO CCN(CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000192708228 328334451 /nfs/dbraw/zinc/33/44/51/328334451.db2.gz SGDHYJHOSZBDBV-INIZCTEOSA-N 1 0 355.460 2.233 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193414113 328373928 /nfs/dbraw/zinc/37/39/28/328373928.db2.gz RSMQWAXHMPTMSJ-UHFFFAOYSA-N 1 0 370.409 2.132 20 5 FEBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)N1 ZINC000193475928 328377771 /nfs/dbraw/zinc/37/77/71/328377771.db2.gz OHGNSRUCJMLXFQ-GOSISDBHSA-N 1 0 370.365 2.029 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195459614 328478521 /nfs/dbraw/zinc/47/85/21/328478521.db2.gz GTAMTTNPMHYDFG-ZIAGYGMSSA-N 1 0 366.487 2.287 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080152456 325120249 /nfs/dbraw/zinc/12/02/49/325120249.db2.gz LIJRDFYRJWWVFK-UHFFFAOYSA-N 1 0 352.435 2.097 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000081333611 325170662 /nfs/dbraw/zinc/17/06/62/325170662.db2.gz FBCXEOXUSGEQOX-LBPRGKRZSA-N 1 0 350.375 2.307 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015307 325351538 /nfs/dbraw/zinc/35/15/38/325351538.db2.gz WTFDKJFDJNKUFT-GFCCVEGCSA-N 1 0 353.400 2.125 20 5 FEBDRO Cn1cc(C(=O)NCC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000104092294 325532224 /nfs/dbraw/zinc/53/22/24/325532224.db2.gz SPIRLIJYIBWODE-UHFFFAOYSA-N 1 0 371.441 2.013 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104730427 325544091 /nfs/dbraw/zinc/54/40/91/325544091.db2.gz IELCOZPHUYQJIL-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO CN(C)C(=O)COc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448072 325567401 /nfs/dbraw/zinc/56/74/01/325567401.db2.gz BMUHDEBGTQEHPD-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000107389661 325627172 /nfs/dbraw/zinc/62/71/72/325627172.db2.gz FUWQOJHFFYOSRJ-UHFFFAOYSA-N 1 0 371.441 2.306 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108401510 325641551 /nfs/dbraw/zinc/64/15/51/325641551.db2.gz HBKLJKKMRNCLPA-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000116922585 326042256 /nfs/dbraw/zinc/04/22/56/326042256.db2.gz LVVZIJNPXKELIS-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118998920 326116952 /nfs/dbraw/zinc/11/69/52/326116952.db2.gz VPRYIPKTLMXFLJ-CQSZACIVSA-N 1 0 352.866 2.460 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119228170 326139495 /nfs/dbraw/zinc/13/94/95/326139495.db2.gz NHZVMMMTBXKHFP-OAHLLOKOSA-N 1 0 351.403 2.167 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119597696 326179180 /nfs/dbraw/zinc/17/91/80/326179180.db2.gz CHZGWCLVNVELTR-HNNXBMFYSA-N 1 0 371.441 2.488 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1C ZINC000120385562 326254163 /nfs/dbraw/zinc/25/41/63/326254163.db2.gz DKGYPTKQARNZBE-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[NH2+]CCCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000121226824 326323283 /nfs/dbraw/zinc/32/32/83/326323283.db2.gz HUXXSSZVIMHSNM-UHFFFAOYSA-N 1 0 372.212 2.427 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122913291 326413620 /nfs/dbraw/zinc/41/36/20/326413620.db2.gz LBVKDOHTTKTZAL-ZDUSSCGKSA-N 1 0 355.460 2.450 20 5 FEBDRO Cc1c(CC(=O)NCc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000124331511 326451911 /nfs/dbraw/zinc/45/19/11/326451911.db2.gz OTELYPMVFSNLJS-UHFFFAOYSA-N 1 0 372.425 2.098 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000124728989 326459083 /nfs/dbraw/zinc/45/90/83/326459083.db2.gz HBYVQWUDUHGCFU-CYBMUJFWSA-N 1 0 373.500 2.461 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000125157491 326466389 /nfs/dbraw/zinc/46/63/89/326466389.db2.gz RXVPHXYMQPHFHD-CHWSQXEVSA-N 1 0 350.419 2.183 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000126775455 326495010 /nfs/dbraw/zinc/49/50/10/326495010.db2.gz YYHKCNZTCZFBAS-INIZCTEOSA-N 1 0 373.409 2.457 20 5 FEBDRO CC[C@@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000135300705 326638996 /nfs/dbraw/zinc/63/89/96/326638996.db2.gz OYDYULKNYVKCRB-CHWSQXEVSA-N 1 0 372.491 2.281 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000136157161 326650276 /nfs/dbraw/zinc/65/02/76/326650276.db2.gz GHJXBTPIUHGYLH-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000150816157 326668654 /nfs/dbraw/zinc/66/86/54/326668654.db2.gz RTTHEEOJUOOQRC-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000151979388 326696201 /nfs/dbraw/zinc/69/62/01/326696201.db2.gz JYOGTDBGNYTJFE-KBPBESRZSA-N 1 0 364.446 2.256 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155108311 326778105 /nfs/dbraw/zinc/77/81/05/326778105.db2.gz MTVNBFIEHLSVTQ-HNNXBMFYSA-N 1 0 355.460 2.088 20 5 FEBDRO CC[NH+](CC)CCn1c(NC(=O)c2n[nH]cc2[N+](=O)[O-])nc2ccccc21 ZINC000159471327 326932556 /nfs/dbraw/zinc/93/25/56/326932556.db2.gz RRNWWMAGEMFMFH-UHFFFAOYSA-N 1 0 371.401 2.262 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160218472 326957557 /nfs/dbraw/zinc/95/75/57/326957557.db2.gz ISJMHUJCFFQIJO-ZFWWWQNUSA-N 1 0 367.471 2.038 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160606916 326971233 /nfs/dbraw/zinc/97/12/33/326971233.db2.gz NRWIFOYZSUXIPW-NVXWUHKLSA-N 1 0 365.405 2.232 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000161854742 327010732 /nfs/dbraw/zinc/01/07/32/327010732.db2.gz UHUDVONELVTNQF-UHFFFAOYSA-N 1 0 350.448 2.377 20 5 FEBDRO CCOc1cc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000161915020 327012382 /nfs/dbraw/zinc/01/23/82/327012382.db2.gz BZDNENKOWMXMLL-ZDUSSCGKSA-N 1 0 353.419 2.448 20 5 FEBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000162136670 327017990 /nfs/dbraw/zinc/01/79/90/327017990.db2.gz NFFAMLWOLPUVBE-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170743552 327096484 /nfs/dbraw/zinc/09/64/84/327096484.db2.gz JUZLPDFNYXESHF-AWEZNQCLSA-N 1 0 362.430 2.102 20 5 FEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173265776 327245141 /nfs/dbraw/zinc/24/51/41/327245141.db2.gz DKUHADAJOAAHQM-JQWIXIFHSA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000173272580 327245504 /nfs/dbraw/zinc/24/55/04/327245504.db2.gz QCDWLSLJCZGTEW-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000173526447 327264055 /nfs/dbraw/zinc/26/40/55/327264055.db2.gz AXNMJPHXUKCDBT-UHFFFAOYSA-N 1 0 373.475 2.391 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000173903737 327293038 /nfs/dbraw/zinc/29/30/38/327293038.db2.gz OZUCYVRFCZTGLK-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173955997 327297413 /nfs/dbraw/zinc/29/74/13/327297413.db2.gz DOSZHVXGWQXMPJ-GFCCVEGCSA-N 1 0 359.423 2.086 20 5 FEBDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105452 327306625 /nfs/dbraw/zinc/30/66/25/327306625.db2.gz NESXSZRSCOPVPC-WMLDXEAASA-N 1 0 364.446 2.408 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000174467385 327328641 /nfs/dbraw/zinc/32/86/41/327328641.db2.gz CTQXTRFNLBJEFS-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000174639084 327340596 /nfs/dbraw/zinc/34/05/96/327340596.db2.gz KFTGNDNJRXLFRU-WMLDXEAASA-N 1 0 355.398 2.089 20 5 FEBDRO Cc1c(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000175303039 327385990 /nfs/dbraw/zinc/38/59/90/327385990.db2.gz IRSPNBNKQAATFG-CYBMUJFWSA-N 1 0 364.446 2.460 20 5 FEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175746659 327410450 /nfs/dbraw/zinc/41/04/50/327410450.db2.gz RWTKYWMDIXSZQC-UHFFFAOYSA-N 1 0 369.425 2.490 20 5 FEBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175934570 327422577 /nfs/dbraw/zinc/42/25/77/327422577.db2.gz HHDSARNNRSCIFA-HNNXBMFYSA-N 1 0 361.442 2.287 20 5 FEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176237247 327442896 /nfs/dbraw/zinc/44/28/96/327442896.db2.gz CVOUKVXCGUDDDM-UHFFFAOYSA-N 1 0 371.397 2.320 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261663085 328809788 /nfs/dbraw/zinc/80/97/88/328809788.db2.gz BCLDUJAFCMASFI-MRXNPFEDSA-N 1 0 359.430 2.262 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000262466105 328867568 /nfs/dbraw/zinc/86/75/68/328867568.db2.gz XTACTMVYLMVPCP-HNNXBMFYSA-N 1 0 371.393 2.229 20 5 FEBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000264231689 329002782 /nfs/dbraw/zinc/00/27/82/329002782.db2.gz JVHFAIUSFOLWIO-UHFFFAOYSA-N 1 0 367.356 2.109 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264572724 329036837 /nfs/dbraw/zinc/03/68/37/329036837.db2.gz VSCIUEUIMQBMQO-HNNXBMFYSA-N 1 0 372.429 2.148 20 5 FEBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875059 329069911 /nfs/dbraw/zinc/06/99/11/329069911.db2.gz PPSPXIYMBCGXAB-QWRGUYRKSA-N 1 0 351.794 2.450 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000266959691 329276890 /nfs/dbraw/zinc/27/68/90/329276890.db2.gz HPZSLAYXIMUTCV-UHFFFAOYSA-N 1 0 365.430 2.428 20 5 FEBDRO CC[C@@H](NC(=O)NCC[N@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000267353850 329317968 /nfs/dbraw/zinc/31/79/68/329317968.db2.gz IGXRJCPLAWYKFK-MRXNPFEDSA-N 1 0 352.435 2.313 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000267946701 329370684 /nfs/dbraw/zinc/37/06/84/329370684.db2.gz IGXIDFPYQXBLJY-QGZVFWFLSA-N 1 0 366.462 2.260 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000268516362 329429809 /nfs/dbraw/zinc/42/98/09/329429809.db2.gz YVMRUJDHYVULEC-UHFFFAOYSA-N 1 0 369.849 2.142 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270283915 329588082 /nfs/dbraw/zinc/58/80/82/329588082.db2.gz XGBQUIBPESCJSU-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000271760357 329722773 /nfs/dbraw/zinc/72/27/73/329722773.db2.gz HOJSYERXHWDMJA-PKOBYXMFSA-N 1 0 360.410 2.438 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000274071504 329913207 /nfs/dbraw/zinc/91/32/07/329913207.db2.gz CDERJFZAFCFULK-CQSZACIVSA-N 1 0 372.194 2.322 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055208 330211868 /nfs/dbraw/zinc/21/18/68/330211868.db2.gz OIDJJBCRCGQDOJ-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000371458483 330244204 /nfs/dbraw/zinc/24/42/04/330244204.db2.gz KTMLABUIIYZXSR-FYCOFBDGSA-N 1 0 372.469 2.235 20 5 FEBDRO CN1CCN(C(=O)CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433173055 330274648 /nfs/dbraw/zinc/27/46/48/330274648.db2.gz IVAHNYGNYBIJBU-QGZVFWFLSA-N 1 0 360.458 2.071 20 5 FEBDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000554108521 674304260 /nfs/dbraw/zinc/30/42/60/674304260.db2.gz FSESRSASBKWQBF-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000178689017 518187503 /nfs/dbraw/zinc/18/75/03/518187503.db2.gz LTIMIIMYJXTHAN-ZFWWWQNUSA-N 1 0 357.414 2.401 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000155320922 545510430 /nfs/dbraw/zinc/51/04/30/545510430.db2.gz NPWJZQDFHDLEFU-MAUKXSAKSA-N 1 0 362.474 2.497 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000155731756 545563195 /nfs/dbraw/zinc/56/31/95/545563195.db2.gz XWFPKTIFYCGGLM-MRXNPFEDSA-N 1 0 358.398 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157233571 545716089 /nfs/dbraw/zinc/71/60/89/545716089.db2.gz CFBNYWZKXQXYAV-FUHWJXTLSA-N 1 0 363.458 2.285 20 5 FEBDRO COc1ccc([C@H]2[C@@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000159797662 545981024 /nfs/dbraw/zinc/98/10/24/545981024.db2.gz AGFQXKIVIJOOPJ-DYVFJYSZSA-N 1 0 373.413 2.139 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160165443 546013667 /nfs/dbraw/zinc/01/36/67/546013667.db2.gz UMXCGPQQMCFILK-AWEZNQCLSA-N 1 0 353.444 2.234 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161310535 546119346 /nfs/dbraw/zinc/11/93/46/546119346.db2.gz XQUCLAIPNJLWQT-UHFFFAOYSA-N 1 0 355.398 2.059 20 5 FEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162086298 546136261 /nfs/dbraw/zinc/13/62/61/546136261.db2.gz IHADVXQUSKJWTL-WDEREUQCSA-N 1 0 356.220 2.286 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000172015842 546233003 /nfs/dbraw/zinc/23/30/03/546233003.db2.gz VCCYUVLNMMWHNH-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479539569 561191590 /nfs/dbraw/zinc/19/15/90/561191590.db2.gz KCYYIVYFMPABQW-RHSMWYFYSA-N 1 0 367.471 2.455 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000479870782 561198479 /nfs/dbraw/zinc/19/84/79/561198479.db2.gz FRPPFHWQRHUHQP-UHFFFAOYSA-N 1 0 360.414 2.329 20 5 FEBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000175934381 546375544 /nfs/dbraw/zinc/37/55/44/546375544.db2.gz OPEGJXPIOPLNAN-CYBMUJFWSA-N 1 0 354.410 2.354 20 5 FEBDRO C[N@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000177045651 546530693 /nfs/dbraw/zinc/53/06/93/546530693.db2.gz KIEGOZPRYVINFI-UHFFFAOYSA-N 1 0 361.373 2.361 20 5 FEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000177744808 546678382 /nfs/dbraw/zinc/67/83/82/546678382.db2.gz IBSDXYAHNFVIBB-MQVJKMGUSA-N 1 0 358.442 2.164 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177763760 546682183 /nfs/dbraw/zinc/68/21/83/546682183.db2.gz UJLMRMOWAGNAQV-OLZOCXBDSA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000178006767 546722190 /nfs/dbraw/zinc/72/21/90/546722190.db2.gz GRAVQRDXCDQOEH-LBPRGKRZSA-N 1 0 353.400 2.125 20 5 FEBDRO C[NH2+]CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178510334 546804779 /nfs/dbraw/zinc/80/47/79/546804779.db2.gz POVHLLSGRXZXHZ-UHFFFAOYSA-N 1 0 374.363 2.262 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000178688935 546832578 /nfs/dbraw/zinc/83/25/78/546832578.db2.gz GKVOORZCMZVIQK-HIFRSBDPSA-N 1 0 357.414 2.483 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000481892263 561244786 /nfs/dbraw/zinc/24/47/86/561244786.db2.gz VPMQWOCAIWPROD-UHFFFAOYSA-N 1 0 358.402 2.087 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000180108223 547053516 /nfs/dbraw/zinc/05/35/16/547053516.db2.gz LEEHGDUYROXINT-UHFFFAOYSA-N 1 0 372.491 2.013 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180410253 547104155 /nfs/dbraw/zinc/10/41/55/547104155.db2.gz RNPAHYMQHKFQDY-ZIAGYGMSSA-N 1 0 374.441 2.303 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000180537699 547125490 /nfs/dbraw/zinc/12/54/90/547125490.db2.gz CKPWIGAXDQIRGM-UHFFFAOYSA-N 1 0 357.414 2.344 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000483142008 561268636 /nfs/dbraw/zinc/26/86/36/561268636.db2.gz TXHBFQQPYXZPAB-ZDUSSCGKSA-N 1 0 365.430 2.415 20 5 FEBDRO CN(C)CCN(Cc1ccco1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181530144 547328850 /nfs/dbraw/zinc/32/88/50/547328850.db2.gz NVDSPFBMWZNSTF-UHFFFAOYSA-N 1 0 373.456 2.221 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000483407320 561276245 /nfs/dbraw/zinc/27/62/45/561276245.db2.gz MXVHAGDZXWNZLV-HUUCEWRRSA-N 1 0 353.419 2.386 20 5 FEBDRO CNC(=O)C[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000483411505 561276383 /nfs/dbraw/zinc/27/63/83/561276383.db2.gz ABDXGZAQDVBNKM-MRXNPFEDSA-N 1 0 373.409 2.449 20 5 FEBDRO C[N@H+](CCOc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190778 547450370 /nfs/dbraw/zinc/45/03/70/547450370.db2.gz FRFHGGTZEQIIEA-CQSZACIVSA-N 1 0 364.373 2.484 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183459522 547664047 /nfs/dbraw/zinc/66/40/47/547664047.db2.gz FAADADJSJVLLFB-QWRGUYRKSA-N 1 0 361.402 2.323 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000183662914 547697197 /nfs/dbraw/zinc/69/71/97/547697197.db2.gz GXHKEYCGQIYEAF-LLVKDONJSA-N 1 0 361.851 2.129 20 5 FEBDRO CS[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000484615986 561301239 /nfs/dbraw/zinc/30/12/39/561301239.db2.gz ISDDOEHJMZGIQM-SJORKVTESA-N 1 0 351.472 2.485 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000184204566 547787179 /nfs/dbraw/zinc/78/71/79/547787179.db2.gz ZFMNPLFQBNAYDY-UHFFFAOYSA-N 1 0 362.474 2.060 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184370445 547814378 /nfs/dbraw/zinc/81/43/78/547814378.db2.gz BOUAMNGESNFUQS-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000184879295 547892686 /nfs/dbraw/zinc/89/26/86/547892686.db2.gz DYRBJVBEWXRXDQ-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000184916227 547900317 /nfs/dbraw/zinc/90/03/17/547900317.db2.gz HQHYJDQETZLAOD-PWSUYJOCSA-N 1 0 359.423 2.146 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000185047677 547923514 /nfs/dbraw/zinc/92/35/14/547923514.db2.gz NCQZSFBRXASKMC-ZKYQVNSYSA-N 1 0 368.231 2.096 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000185112809 547934673 /nfs/dbraw/zinc/93/46/73/547934673.db2.gz UEHFHDIDCAGCPL-CYZMBNFOSA-N 1 0 353.806 2.213 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)nc1-c1ccc(F)cc1 ZINC000485420860 561318789 /nfs/dbraw/zinc/31/87/89/561318789.db2.gz YASFEDWAIWOCEL-UHFFFAOYSA-N 1 0 360.389 2.300 20 5 FEBDRO C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185469784 547988750 /nfs/dbraw/zinc/98/87/50/547988750.db2.gz QNXJVJDUAKHTMX-UONOGXRCSA-N 1 0 365.405 2.018 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186314078 548117820 /nfs/dbraw/zinc/11/78/20/548117820.db2.gz ASSDLFWIRCZCQS-UHFFFAOYSA-N 1 0 369.487 2.131 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095802 561338025 /nfs/dbraw/zinc/33/80/25/561338025.db2.gz XTJSNQQBTPNNAO-JOQOYGCGSA-N 1 0 368.430 2.465 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000192813122 548373256 /nfs/dbraw/zinc/37/32/56/548373256.db2.gz HXXYOSGPNNAMIS-LBPRGKRZSA-N 1 0 354.370 2.317 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194384141 548473815 /nfs/dbraw/zinc/47/38/15/548473815.db2.gz ADZVDKRAZFEHII-UHFFFAOYSA-N 1 0 371.441 2.279 20 5 FEBDRO CSc1cccc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000194771470 548530190 /nfs/dbraw/zinc/53/01/90/548530190.db2.gz RCCTZGKEBFTDCG-BETUJISGSA-N 1 0 367.471 2.498 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237241061 548811335 /nfs/dbraw/zinc/81/13/35/548811335.db2.gz BYVNVSUVNHWIFP-PBWFPOADSA-N 1 0 353.444 2.115 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H](C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000237636216 548841823 /nfs/dbraw/zinc/84/18/23/548841823.db2.gz TTXAMWWOHKJCET-INIZCTEOSA-N 1 0 371.441 2.267 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440758 548921565 /nfs/dbraw/zinc/92/15/65/548921565.db2.gz UWFYOGDQETUCJM-XJKSGUPXSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488072880 561382805 /nfs/dbraw/zinc/38/28/05/561382805.db2.gz GDKCTEMQKMIDJM-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000245734376 548984768 /nfs/dbraw/zinc/98/47/68/548984768.db2.gz BCSFBTQYTKLMRD-KBRIMQKVSA-N 1 0 368.393 2.468 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246269215 549092697 /nfs/dbraw/zinc/09/26/97/549092697.db2.gz UVJGBTBJCCHEMD-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246464063 549139308 /nfs/dbraw/zinc/13/93/08/549139308.db2.gz NJORPOSYNYVOLY-CZUORRHYSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000246842615 549226317 /nfs/dbraw/zinc/22/63/17/549226317.db2.gz VHHUQTONEIYHFG-HUUCEWRRSA-N 1 0 372.429 2.234 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@H](C)O ZINC000246952580 549250741 /nfs/dbraw/zinc/25/07/41/549250741.db2.gz IBWGYLOABXOEAL-KBPBESRZSA-N 1 0 350.419 2.212 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000247132139 549288777 /nfs/dbraw/zinc/28/87/77/549288777.db2.gz ASTXOAVSQOWLIL-KBXCAEBGSA-N 1 0 369.425 2.337 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247174288 549294892 /nfs/dbraw/zinc/29/48/92/549294892.db2.gz KVCFPHXOYOYIDN-IUODEOHRSA-N 1 0 353.444 2.014 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000247367122 549324538 /nfs/dbraw/zinc/32/45/38/549324538.db2.gz HOBYMHOBUZAEHF-SUMWQHHRSA-N 1 0 373.413 2.322 20 5 FEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249065806 549544982 /nfs/dbraw/zinc/54/49/82/549544982.db2.gz KDTRXIGZLUGBJS-AEFFLSMTSA-N 1 0 352.431 2.208 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000249166208 549564102 /nfs/dbraw/zinc/56/41/02/549564102.db2.gz KDGZULDMNVQOPX-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C ZINC000262807115 549851690 /nfs/dbraw/zinc/85/16/90/549851690.db2.gz QHNLSYVOAOXKTE-ZJUUUORDSA-N 1 0 356.220 2.109 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269164578 550163172 /nfs/dbraw/zinc/16/31/72/550163172.db2.gz CORVKOJZKHHZQW-ZJUUUORDSA-N 1 0 373.356 2.323 20 5 FEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269196727 550166662 /nfs/dbraw/zinc/16/66/62/550166662.db2.gz RYOMYVQHDZMRIC-UHFFFAOYSA-N 1 0 363.414 2.408 20 5 FEBDRO CC[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000493935602 561459635 /nfs/dbraw/zinc/45/96/35/561459635.db2.gz VETVPSIXMUFRPM-HNNXBMFYSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494039914 561461299 /nfs/dbraw/zinc/46/12/99/561461299.db2.gz VZWHJVJZYUAASD-WFASDCNBSA-N 1 0 356.382 2.088 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(CCC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000270986974 550328799 /nfs/dbraw/zinc/32/87/99/550328799.db2.gz AQZWXVSEMOWHGC-UHFFFAOYSA-N 1 0 362.430 2.209 20 5 FEBDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271121870 550342347 /nfs/dbraw/zinc/34/23/47/550342347.db2.gz FKAZLPCHRYZMQU-JKNJVXJCSA-N 1 0 352.431 2.342 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295016 550435278 /nfs/dbraw/zinc/43/52/78/550435278.db2.gz HSFJEUWCZJLNAS-ZANVPECISA-N 1 0 355.341 2.409 20 5 FEBDRO COCCCOCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000272399500 550444025 /nfs/dbraw/zinc/44/40/25/550444025.db2.gz WQPFKBIAHMIQNV-UHFFFAOYSA-N 1 0 362.430 2.480 20 5 FEBDRO CC[C@@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000494494492 561470614 /nfs/dbraw/zinc/47/06/14/561470614.db2.gz LJOIVAZRJQWKDQ-WMLDXEAASA-N 1 0 364.446 2.012 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273522390 550501647 /nfs/dbraw/zinc/50/16/47/550501647.db2.gz YTXSVNVRFGINAE-UHFFFAOYSA-N 1 0 367.425 2.224 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000274120958 550524161 /nfs/dbraw/zinc/52/41/61/550524161.db2.gz WZKUUKKXFAIMJW-VXGBXAGGSA-N 1 0 367.402 2.109 20 5 FEBDRO CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274847386 550559146 /nfs/dbraw/zinc/55/91/46/550559146.db2.gz AICDPGJTOPLUIS-RYUDHWBXSA-N 1 0 367.475 2.093 20 5 FEBDRO COc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000276671062 550583849 /nfs/dbraw/zinc/58/38/49/550583849.db2.gz DDFVEEYJJDYOPM-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000276906383 550609654 /nfs/dbraw/zinc/60/96/54/550609654.db2.gz FADFNKYPSJAEGK-UKRRQHHQSA-N 1 0 351.403 2.479 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000277294432 550652905 /nfs/dbraw/zinc/65/29/05/550652905.db2.gz OMYWTQCAMRHHGU-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000277607555 550691049 /nfs/dbraw/zinc/69/10/49/550691049.db2.gz ANHHBOYIKCKTLC-UHFFFAOYSA-N 1 0 353.444 2.285 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000277754015 550710140 /nfs/dbraw/zinc/71/01/40/550710140.db2.gz QLOKTRLESSQULF-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278188449 550758801 /nfs/dbraw/zinc/75/88/01/550758801.db2.gz BWULIMZYVZUVGF-NSHDSACASA-N 1 0 372.294 2.368 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000278334498 550774467 /nfs/dbraw/zinc/77/44/67/550774467.db2.gz WPHUDEKRVCXLMO-RKDXNWHRSA-N 1 0 359.329 2.075 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278505681 550793463 /nfs/dbraw/zinc/79/34/63/550793463.db2.gz LUNCOXYKUDUWFW-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000278519058 550794655 /nfs/dbraw/zinc/79/46/55/550794655.db2.gz MQVNBIUIDCVVGH-CQSZACIVSA-N 1 0 372.425 2.374 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000278887924 550832719 /nfs/dbraw/zinc/83/27/19/550832719.db2.gz PVZJTPIELBPCFK-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000495444952 561488113 /nfs/dbraw/zinc/48/81/13/561488113.db2.gz OHFHMXBXASSASK-UHFFFAOYSA-N 1 0 355.778 2.262 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000280248438 550974331 /nfs/dbraw/zinc/97/43/31/550974331.db2.gz BHBADQDCKNEZES-ZDUSSCGKSA-N 1 0 365.430 2.415 20 5 FEBDRO CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000495713774 561490508 /nfs/dbraw/zinc/49/05/08/561490508.db2.gz RXVMDWNUCWCWIS-CABCVRRESA-N 1 0 351.472 2.376 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280943240 551048071 /nfs/dbraw/zinc/04/80/71/551048071.db2.gz IBDCGLLHXRUYNE-MJGOQNOKSA-N 1 0 373.409 2.021 20 5 FEBDRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000281316302 551084020 /nfs/dbraw/zinc/08/40/20/551084020.db2.gz ZLQFMEGENWRBHE-PXAZEXFGSA-N 1 0 369.425 2.120 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282087710 551178819 /nfs/dbraw/zinc/17/88/19/551178819.db2.gz OKQPFFGIMAWASJ-INIZCTEOSA-N 1 0 363.414 2.481 20 5 FEBDRO CN(CC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390048 561499990 /nfs/dbraw/zinc/49/99/90/561499990.db2.gz YNRPBGKBNVZBDU-DLBZAZTESA-N 1 0 368.437 2.245 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497534554 561503423 /nfs/dbraw/zinc/50/34/23/561503423.db2.gz RDSNNFZHQFJZMB-CQSZACIVSA-N 1 0 367.471 2.166 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295491 551343622 /nfs/dbraw/zinc/34/36/22/551343622.db2.gz MZKUTHMEIBOVKS-LSDHHAIUSA-N 1 0 351.428 2.130 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000283380469 551356767 /nfs/dbraw/zinc/35/67/67/551356767.db2.gz DEZJDWYMBBAWNC-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000283610192 551396372 /nfs/dbraw/zinc/39/63/72/551396372.db2.gz ZKIHCSDGLHKOLM-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497957988 561512389 /nfs/dbraw/zinc/51/23/89/561512389.db2.gz GGARNHZXIAUNIA-HIFRSBDPSA-N 1 0 370.409 2.336 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000498102657 561516108 /nfs/dbraw/zinc/51/61/08/561516108.db2.gz VPQFZAIJYKEISA-LBPRGKRZSA-N 1 0 363.414 2.216 20 5 FEBDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC(=O)N1C1CC1 ZINC000284401119 551541817 /nfs/dbraw/zinc/54/18/17/551541817.db2.gz BDLHNBCFUHRJTM-VQIMIIECSA-N 1 0 369.425 2.313 20 5 FEBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000284593154 551585428 /nfs/dbraw/zinc/58/54/28/551585428.db2.gz ZTKZMLDGOYHZFS-MRXNPFEDSA-N 1 0 373.409 2.401 20 5 FEBDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000284939188 551672256 /nfs/dbraw/zinc/67/22/56/551672256.db2.gz BBXFCQGJWCBFLA-PNFOFYCQSA-N 1 0 360.458 2.329 20 5 FEBDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1O2 ZINC000284948742 551674771 /nfs/dbraw/zinc/67/47/71/551674771.db2.gz ADRZWYDGYBXELM-CQSZACIVSA-N 1 0 371.397 2.036 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1SC ZINC000498711008 561532461 /nfs/dbraw/zinc/53/24/61/561532461.db2.gz RXZQUWWDBYEPSB-LLVKDONJSA-N 1 0 353.444 2.492 20 5 FEBDRO Cc1cc(=O)n(CCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000285301530 551734369 /nfs/dbraw/zinc/73/43/69/551734369.db2.gz WDRPIDGHPLDZAS-UHFFFAOYSA-N 1 0 356.426 2.277 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285493874 551765366 /nfs/dbraw/zinc/76/53/66/551765366.db2.gz IWLDOBMQHUBKCB-PBHICJAKSA-N 1 0 358.442 2.043 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000285556461 551774307 /nfs/dbraw/zinc/77/43/07/551774307.db2.gz RYUXXBPHQWUBCQ-YFCVBGDOSA-N 1 0 365.455 2.154 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285574181 551777028 /nfs/dbraw/zinc/77/70/28/551777028.db2.gz NZCXNTFXXIYOLN-ZFWWWQNUSA-N 1 0 362.430 2.101 20 5 FEBDRO C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860686 551819886 /nfs/dbraw/zinc/81/98/86/551819886.db2.gz PQRAJPBNWHBZRH-CZUORRHYSA-N 1 0 374.441 2.104 20 5 FEBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000285860690 551819901 /nfs/dbraw/zinc/81/99/01/551819901.db2.gz PQRAJPBNWHBZRH-XJKSGUPXSA-N 1 0 374.441 2.104 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286031202 551840535 /nfs/dbraw/zinc/84/05/35/551840535.db2.gz QJMKXHIBTZHMAV-GUDVDZBRSA-N 1 0 369.421 2.261 20 5 FEBDRO COc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000286323753 551874593 /nfs/dbraw/zinc/87/45/93/551874593.db2.gz AAXYELAOOSOEJO-DZGCQCFKSA-N 1 0 362.430 2.372 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000286366418 551879088 /nfs/dbraw/zinc/87/90/88/551879088.db2.gz CJJBCGURGTXLEO-CZUORRHYSA-N 1 0 362.430 2.372 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000286651135 551910760 /nfs/dbraw/zinc/91/07/60/551910760.db2.gz DQDGADNKNUQJBE-UHFFFAOYSA-N 1 0 350.375 2.451 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286738561 551920595 /nfs/dbraw/zinc/92/05/95/551920595.db2.gz OJBQXNHTWXJXOV-JSGCOSHPSA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000287219939 551977761 /nfs/dbraw/zinc/97/77/61/551977761.db2.gz QFCRIOUFYYJUDZ-IUODEOHRSA-N 1 0 351.378 2.198 20 5 FEBDRO COC(=O)c1cc(C)nc(N(CC[NH+](C)C)Cc2ccco2)c1[N+](=O)[O-] ZINC000288087601 552088777 /nfs/dbraw/zinc/08/87/77/552088777.db2.gz ZTOUDHVOENKKNV-UHFFFAOYSA-N 1 0 362.386 2.246 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000288128229 552096426 /nfs/dbraw/zinc/09/64/26/552096426.db2.gz KMXHUZOMBXQMLH-GOEBONIOSA-N 1 0 374.441 2.235 20 5 FEBDRO [NH3+][C@H]1CCc2nc(NC(=O)CCOc3ccccc3[N+](=O)[O-])sc2C1 ZINC000288858641 552225715 /nfs/dbraw/zinc/22/57/15/552225715.db2.gz XLWPUIAXDNAJJA-JTQLQIEISA-N 1 0 362.411 2.275 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000500118117 561566393 /nfs/dbraw/zinc/56/63/93/561566393.db2.gz CTXPXYDXSOCFER-VXGBXAGGSA-N 1 0 351.403 2.167 20 5 FEBDRO C[NH+](C)CCOC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000500293817 561569719 /nfs/dbraw/zinc/56/97/19/561569719.db2.gz UJLLFALLFQWVQK-UHFFFAOYSA-N 1 0 373.251 2.299 20 5 FEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000289899274 552396343 /nfs/dbraw/zinc/39/63/43/552396343.db2.gz MZSYKZDWNAHKFR-NSHDSACASA-N 1 0 362.167 2.420 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCN(C)CC2(C)C)cc1[N+](=O)[O-] ZINC000500495569 561575079 /nfs/dbraw/zinc/57/50/79/561575079.db2.gz SPHPQPDIGYGMOE-UHFFFAOYSA-N 1 0 367.471 2.389 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000290007870 552413113 /nfs/dbraw/zinc/41/31/13/552413113.db2.gz SDKZOIWAAFRBPG-HXUWFJFHSA-N 1 0 372.469 2.413 20 5 FEBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290178467 552439043 /nfs/dbraw/zinc/43/90/43/552439043.db2.gz NNJSHMJACCAGEY-WMHQRMGPSA-N 1 0 352.456 2.329 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000291304648 552612574 /nfs/dbraw/zinc/61/25/74/552612574.db2.gz NLWKIRXXAHYFBS-UHFFFAOYSA-N 1 0 362.430 2.040 20 5 FEBDRO CC(C)(NC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000291577387 552639466 /nfs/dbraw/zinc/63/94/66/552639466.db2.gz FQRPOBNFEFPCAM-UHFFFAOYSA-N 1 0 364.446 2.242 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1SC ZINC000293509903 552831150 /nfs/dbraw/zinc/83/11/50/552831150.db2.gz SXKPFGRTWATHMN-PWSUYJOCSA-N 1 0 351.428 2.149 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OCCO ZINC000293733332 552851252 /nfs/dbraw/zinc/85/12/52/552851252.db2.gz MZZYCIKEXUALEM-LBPRGKRZSA-N 1 0 361.398 2.408 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000293902959 552866481 /nfs/dbraw/zinc/86/64/81/552866481.db2.gz NBBRFVUGPHIBPB-DLBZAZTESA-N 1 0 370.409 2.078 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000294751429 552931657 /nfs/dbraw/zinc/93/16/57/552931657.db2.gz ANCVQOHNTLYPPN-UHFFFAOYSA-N 1 0 352.410 2.214 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295368570 552995288 /nfs/dbraw/zinc/99/52/88/552995288.db2.gz PBPZJAQIKHLZGS-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000295555176 553025502 /nfs/dbraw/zinc/02/55/02/553025502.db2.gz PUTZKJWWZSBFRF-GDBMZVCRSA-N 1 0 365.455 2.062 20 5 FEBDRO C[C@@H]1[C@H](N2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749864 553053982 /nfs/dbraw/zinc/05/39/82/553053982.db2.gz ZPKXGPBMZPFGIV-TZMCWYRMSA-N 1 0 353.444 2.061 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000296012664 553089251 /nfs/dbraw/zinc/08/92/51/553089251.db2.gz LHGXYFKSMSUMPE-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1OC ZINC000296015360 553089734 /nfs/dbraw/zinc/08/97/34/553089734.db2.gz MWGLYPRTAAEYGM-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296049332 553095883 /nfs/dbraw/zinc/09/58/83/553095883.db2.gz NOHMYDHUEKGPNE-AWEZNQCLSA-N 1 0 365.430 2.415 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])n3C)CCCC2)CC1 ZINC000502510641 561620211 /nfs/dbraw/zinc/62/02/11/561620211.db2.gz NIYMBQYDSPBFSE-UHFFFAOYSA-N 1 0 364.446 2.087 20 5 FEBDRO C[C@@H]1CN(CCN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000296478151 553166899 /nfs/dbraw/zinc/16/68/99/553166899.db2.gz YEMONGFKTPCAFS-TXEJJXNPSA-N 1 0 355.822 2.429 20 5 FEBDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000296551887 553178448 /nfs/dbraw/zinc/17/84/48/553178448.db2.gz MYEVXZMABWWZKX-OAHLLOKOSA-N 1 0 351.403 2.320 20 5 FEBDRO Cc1cc(F)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296613133 553187684 /nfs/dbraw/zinc/18/76/84/553187684.db2.gz AXRHOWJGTRUMPP-GFCCVEGCSA-N 1 0 368.409 2.351 20 5 FEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296692196 553198732 /nfs/dbraw/zinc/19/87/32/553198732.db2.gz LZMASNDSPUKDJD-GFCCVEGCSA-N 1 0 357.382 2.051 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000296892722 553225941 /nfs/dbraw/zinc/22/59/41/553225941.db2.gz GSNUKFVVDZZTOF-YHWZYXNKSA-N 1 0 363.414 2.357 20 5 FEBDRO Nc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297344634 553281088 /nfs/dbraw/zinc/28/10/88/553281088.db2.gz YQDZWOJLOAQWIR-GDBMZVCRSA-N 1 0 358.373 2.273 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000297768954 553336790 /nfs/dbraw/zinc/33/67/90/553336790.db2.gz LWEMOEKDNCUAMO-SMDDNHRTSA-N 1 0 351.378 2.299 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000298117501 553386228 /nfs/dbraw/zinc/38/62/28/553386228.db2.gz JYXIQZAENNGNKZ-HNNXBMFYSA-N 1 0 351.403 2.073 20 5 FEBDRO C[C@@H]1C[C@]1([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382528 561640357 /nfs/dbraw/zinc/64/03/57/561640357.db2.gz IMKPTDPHNKTRII-HFBAOOFYSA-N 1 0 350.806 2.331 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503927 561643059 /nfs/dbraw/zinc/64/30/59/561643059.db2.gz JRFXBSKUZCKXQK-GASCZTMLSA-N 1 0 369.487 2.320 20 5 FEBDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298602507 553447237 /nfs/dbraw/zinc/44/72/37/553447237.db2.gz SKQUCDVMAXCSMT-KRWDZBQOSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000298820716 553477177 /nfs/dbraw/zinc/47/71/77/553477177.db2.gz BJZUMONRGVIKHI-GOEBONIOSA-N 1 0 374.441 2.235 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000298892244 553485656 /nfs/dbraw/zinc/48/56/56/553485656.db2.gz LKCRGVINPZLAQI-QZTJIDSGSA-N 1 0 363.414 2.479 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298999703 553501413 /nfs/dbraw/zinc/50/14/13/553501413.db2.gz JVDQRUDBTBKHJB-AWEZNQCLSA-N 1 0 373.457 2.080 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255054 553537436 /nfs/dbraw/zinc/53/74/36/553537436.db2.gz JXGNTAAUKYMKQG-SCLBCKFNSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000299284376 553542139 /nfs/dbraw/zinc/54/21/39/553542139.db2.gz DWNQALRTYVRUNI-UHFFFAOYSA-N 1 0 359.430 2.256 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000299296886 553544015 /nfs/dbraw/zinc/54/40/15/553544015.db2.gz MRBNZYOSDBUDQF-GOEBONIOSA-N 1 0 374.441 2.235 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299372199 553554567 /nfs/dbraw/zinc/55/45/67/553554567.db2.gz QFQYBAHVOCKCNG-CYBMUJFWSA-N 1 0 350.419 2.078 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000299429470 553562137 /nfs/dbraw/zinc/56/21/37/553562137.db2.gz XMAUJTZKMGUATO-HOCLYGCPSA-N 1 0 374.441 2.093 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299446916 553564464 /nfs/dbraw/zinc/56/44/64/553564464.db2.gz WHKBFMHBFVPWIQ-LLVKDONJSA-N 1 0 370.837 2.423 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000301058046 553617993 /nfs/dbraw/zinc/61/79/93/553617993.db2.gz BCBJZIAKMGUSFB-LBPRGKRZSA-N 1 0 350.375 2.193 20 5 FEBDRO C[C@@](O)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CN1CCOCC1 ZINC000301738081 553676098 /nfs/dbraw/zinc/67/60/98/553676098.db2.gz CJQAWNXPEPVDMT-CQSZACIVSA-N 1 0 363.336 2.109 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302136063 553706124 /nfs/dbraw/zinc/70/61/24/553706124.db2.gz MKWYKDAKHBCZOM-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302194940 553709771 /nfs/dbraw/zinc/70/97/71/553709771.db2.gz SFULHJSXMGGFGU-CQSZACIVSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302284557 553714049 /nfs/dbraw/zinc/71/40/49/553714049.db2.gz VMYFQKMULZLKFX-NSHDSACASA-N 1 0 372.267 2.190 20 5 FEBDRO Cc1cccc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1[N+](=O)[O-] ZINC000302488158 553718381 /nfs/dbraw/zinc/71/83/81/553718381.db2.gz IZGQIAZIMWCJFI-KRWDZBQOSA-N 1 0 362.474 2.134 20 5 FEBDRO Cc1cc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc[nH+]1 ZINC000302667676 553724748 /nfs/dbraw/zinc/72/47/48/553724748.db2.gz CNKYWRSLMOTXEC-UHFFFAOYSA-N 1 0 350.400 2.226 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000507771336 561740410 /nfs/dbraw/zinc/74/04/10/561740410.db2.gz DTIZDVPSJNPVFS-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO C[C@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507891375 561744956 /nfs/dbraw/zinc/74/49/56/561744956.db2.gz SMKWFFAKLMWLER-KBPBESRZSA-N 1 0 355.460 2.289 20 5 FEBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952535 561747102 /nfs/dbraw/zinc/74/71/02/561747102.db2.gz SAXBVXAXSSIJMV-ZIAGYGMSSA-N 1 0 355.460 2.289 20 5 FEBDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330606542 554145223 /nfs/dbraw/zinc/14/52/23/554145223.db2.gz KRBKSQYGNGOYLE-KGLIPLIRSA-N 1 0 361.851 2.198 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509070288 561783850 /nfs/dbraw/zinc/78/38/50/561783850.db2.gz RFFULTFGQBUPFL-HNNXBMFYSA-N 1 0 370.457 2.144 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331855621 554332077 /nfs/dbraw/zinc/33/20/77/554332077.db2.gz DQRKRJPPSRNILE-CJNGLKHVSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331951353 554351564 /nfs/dbraw/zinc/35/15/64/554351564.db2.gz SPMZLAGBIBLRKF-HOCLYGCPSA-N 1 0 367.471 2.364 20 5 FEBDRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000609270139 554354406 /nfs/dbraw/zinc/35/44/06/554354406.db2.gz FRFPRSBFZXDFOR-UHFFFAOYSA-N 1 0 370.413 2.122 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066182 554373102 /nfs/dbraw/zinc/37/31/02/554373102.db2.gz RXYOUINKONYEKF-ZBFHGGJFSA-N 1 0 360.458 2.289 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066179 554373150 /nfs/dbraw/zinc/37/31/50/554373150.db2.gz RXYOUINKONYEKF-GDBMZVCRSA-N 1 0 360.458 2.289 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332075840 554375184 /nfs/dbraw/zinc/37/51/84/554375184.db2.gz FYOSERRNAMHHPK-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000332080176 554375619 /nfs/dbraw/zinc/37/56/19/554375619.db2.gz JIOGUEBGUBQVKU-HUUCEWRRSA-N 1 0 353.419 2.386 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000332080174 554375714 /nfs/dbraw/zinc/37/57/14/554375714.db2.gz JIOGUEBGUBQVKU-CABCVRRESA-N 1 0 353.419 2.386 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[N+](=O)[O-] ZINC000332085526 554377228 /nfs/dbraw/zinc/37/72/28/554377228.db2.gz QPLJJSVZPZDPKT-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@H]2CCCSC2)c2c(c1)COCO2 ZINC000332317864 554423608 /nfs/dbraw/zinc/42/36/08/554423608.db2.gz HTDIVPBQLJIPMK-AWEZNQCLSA-N 1 0 354.428 2.151 20 5 FEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000332381722 554435714 /nfs/dbraw/zinc/43/57/14/554435714.db2.gz HEPIGTYIOOJQNC-RDTXWAMCSA-N 1 0 350.438 2.192 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000332631219 554487140 /nfs/dbraw/zinc/48/71/40/554487140.db2.gz UZTQIRGNXPOBMC-MEDUHNTESA-N 1 0 353.369 2.358 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510523269 561837649 /nfs/dbraw/zinc/83/76/49/561837649.db2.gz LLPSPFZUMUCXAA-FZKQIMNGSA-N 1 0 359.430 2.216 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000510539994 561838388 /nfs/dbraw/zinc/83/83/88/561838388.db2.gz UBSUIYPBDIMUKW-CJNGLKHVSA-N 1 0 367.471 2.405 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510668676 561842873 /nfs/dbraw/zinc/84/28/73/561842873.db2.gz SWFVLDFJZKBVAA-HZPDHXFCSA-N 1 0 353.444 2.041 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361026803 554901144 /nfs/dbraw/zinc/90/11/44/554901144.db2.gz CDVULCZZYZFKAG-ZNMIVQPWSA-N 1 0 365.455 2.008 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000361503830 554922303 /nfs/dbraw/zinc/92/23/03/554922303.db2.gz PYYZDMYATWKMCJ-JQFCIGGWSA-N 1 0 374.441 2.350 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361584352 554926247 /nfs/dbraw/zinc/92/62/47/554926247.db2.gz YUFXXJDQZBREMW-SFHVURJKSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362022779 554944826 /nfs/dbraw/zinc/94/48/26/554944826.db2.gz MSFKEDDPYMYREX-SMDDNHRTSA-N 1 0 373.862 2.271 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000362429388 554971958 /nfs/dbraw/zinc/97/19/58/554971958.db2.gz NGENRKMCCDHCFU-UHFFFAOYSA-N 1 0 369.425 2.446 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362863659 554994199 /nfs/dbraw/zinc/99/41/99/554994199.db2.gz VXAACCWDEPNJBP-IMJJTQAJSA-N 1 0 362.430 2.127 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363193836 555050546 /nfs/dbraw/zinc/05/05/46/555050546.db2.gz ZVZFWUBCDAMSPT-DZGCQCFKSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363193838 555050586 /nfs/dbraw/zinc/05/05/86/555050586.db2.gz ZVZFWUBCDAMSPT-UKRRQHHQSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458201 555110976 /nfs/dbraw/zinc/11/09/76/555110976.db2.gz ZAWUNTMONOLGTD-NEPJUHHUSA-N 1 0 354.794 2.233 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C1 ZINC000363585036 555142001 /nfs/dbraw/zinc/14/20/01/555142001.db2.gz GBSCOQVFKUFJEA-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000364071436 555244576 /nfs/dbraw/zinc/24/45/76/555244576.db2.gz FOHGGCIVDCNHJK-WBVHZDCISA-N 1 0 362.430 2.275 20 5 FEBDRO COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764095 555396483 /nfs/dbraw/zinc/39/64/83/555396483.db2.gz KJLPLIXAOXZJRS-QWHCGFSZSA-N 1 0 363.414 2.361 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000365057907 555475532 /nfs/dbraw/zinc/47/55/32/555475532.db2.gz CTIVIZRVKLSZQX-TZMCWYRMSA-N 1 0 359.835 2.140 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365059371 555475855 /nfs/dbraw/zinc/47/58/55/555475855.db2.gz XBGPEHCCCUJQAZ-GJZGRUSLSA-N 1 0 373.862 2.449 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187253 555505797 /nfs/dbraw/zinc/50/57/97/555505797.db2.gz RGOINJBKBULRAH-NWDGAFQWSA-N 1 0 354.794 2.233 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000365219042 555513687 /nfs/dbraw/zinc/51/36/87/555513687.db2.gz HLOMIHDYTGXHPW-QINHECLXSA-N 1 0 372.421 2.220 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365477966 555586262 /nfs/dbraw/zinc/58/62/62/555586262.db2.gz PGFGYHCJNXYEHM-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000365679459 555638486 /nfs/dbraw/zinc/63/84/86/555638486.db2.gz QVKIHFLTQYUHSC-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO O=[N+]([O-])c1ccc(CNCc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 ZINC000365791554 555668436 /nfs/dbraw/zinc/66/84/36/555668436.db2.gz ABFFUKVLQUVDRX-UHFFFAOYSA-N 1 0 354.326 2.374 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000366172516 555771925 /nfs/dbraw/zinc/77/19/25/555771925.db2.gz ZXEMVRSIRUVTRR-ZDUSSCGKSA-N 1 0 356.382 2.146 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513881791 561953155 /nfs/dbraw/zinc/95/31/55/561953155.db2.gz WFWDRZQVMGRUDR-HNNXBMFYSA-N 1 0 355.460 2.087 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc([N+](=O)[O-])c1F ZINC000366493323 555859771 /nfs/dbraw/zinc/85/97/71/555859771.db2.gz WDNBCNXZZBHSNR-GXTWGEPZSA-N 1 0 371.434 2.195 20 5 FEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366578922 555881987 /nfs/dbraw/zinc/88/19/87/555881987.db2.gz QKFDSSAGIKXIGI-KDOFPFPSSA-N 1 0 363.414 2.193 20 5 FEBDRO Cc1cc(OCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366584796 555883114 /nfs/dbraw/zinc/88/31/14/555883114.db2.gz SYUGYPJNVBWWJN-ZVZYQTTQSA-N 1 0 359.426 2.225 20 5 FEBDRO Cc1cc(OCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366584795 555883184 /nfs/dbraw/zinc/88/31/84/555883184.db2.gz SYUGYPJNVBWWJN-YXJHDRRASA-N 1 0 359.426 2.225 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000366609839 555889640 /nfs/dbraw/zinc/88/96/40/555889640.db2.gz QIZRYNOUAMKDAT-SFHVURJKSA-N 1 0 362.474 2.205 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244660 561965417 /nfs/dbraw/zinc/96/54/17/561965417.db2.gz LTMKNDWVLPLRLM-IJLUTSLNSA-N 1 0 367.402 2.108 20 5 FEBDRO Nc1nccc([C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000366983769 555989212 /nfs/dbraw/zinc/98/92/12/555989212.db2.gz SOCLGYSTLZGRHJ-LLVKDONJSA-N 1 0 354.370 2.488 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000367457714 556055603 /nfs/dbraw/zinc/05/56/03/556055603.db2.gz HPGDLEQPTSVCNT-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367473826 556060306 /nfs/dbraw/zinc/06/03/06/556060306.db2.gz JCPNJSJWVIWDEP-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000367476746 556061018 /nfs/dbraw/zinc/06/10/18/556061018.db2.gz XGTJIAHFIKSRFJ-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000367642064 556103438 /nfs/dbraw/zinc/10/34/38/556103438.db2.gz GSAZRSSMWSCIDJ-CRAIPNDOSA-N 1 0 370.409 2.061 20 5 FEBDRO CC(C)c1ccc(C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000367682839 556113371 /nfs/dbraw/zinc/11/33/71/556113371.db2.gz HDBIBSVERUXSDW-UHFFFAOYSA-N 1 0 360.414 2.234 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367924796 556174117 /nfs/dbraw/zinc/17/41/17/556174117.db2.gz BXXWYBGDRGJHKC-KSSFIOAISA-N 1 0 360.458 2.260 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N[C@H]1CC12CC[NH2+]CC2 ZINC000368140631 556228726 /nfs/dbraw/zinc/22/87/26/556228726.db2.gz BPWZCGVNJHMMKI-IBGZPJMESA-N 1 0 361.445 2.413 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000368417938 556303139 /nfs/dbraw/zinc/30/31/39/556303139.db2.gz VGRJZHLTBKNOAK-DLBZAZTESA-N 1 0 359.357 2.066 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000368594798 556356993 /nfs/dbraw/zinc/35/69/93/556356993.db2.gz XLTBHYVPQMSGHP-BZNIZROVSA-N 1 0 356.382 2.015 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000516096486 562030539 /nfs/dbraw/zinc/03/05/39/562030539.db2.gz BRVCNHXBEYGLQG-LLVKDONJSA-N 1 0 361.354 2.098 20 5 FEBDRO CC(C)(C)c1cccc(OCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000516175409 562034237 /nfs/dbraw/zinc/03/42/37/562034237.db2.gz NTENOFBSDQJXHV-INIZCTEOSA-N 1 0 362.430 2.118 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369530332 556622146 /nfs/dbraw/zinc/62/21/46/556622146.db2.gz GUACASWSOFVVFA-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369535339 556623831 /nfs/dbraw/zinc/62/38/31/556623831.db2.gz ACTSTPZYFAFMGU-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369657439 556661034 /nfs/dbraw/zinc/66/10/34/556661034.db2.gz BKOXKSQXZGNLGR-BHYGNILZSA-N 1 0 374.441 2.229 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000369664015 556662528 /nfs/dbraw/zinc/66/25/28/556662528.db2.gz NQGKPHZHCAAZFO-UHFFFAOYSA-N 1 0 361.358 2.415 20 5 FEBDRO O=C(CC[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369684960 556668486 /nfs/dbraw/zinc/66/84/86/556668486.db2.gz YXCLHGKEPJOMHZ-UHFFFAOYSA-N 1 0 371.397 2.257 20 5 FEBDRO CN(CC1CCCCC1)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369692838 556670208 /nfs/dbraw/zinc/67/02/08/556670208.db2.gz OVEQPINUERODGW-UHFFFAOYSA-N 1 0 363.462 2.467 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000369721936 556677587 /nfs/dbraw/zinc/67/75/87/556677587.db2.gz PRLDQEUHVODZHA-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3F)C2)c1 ZINC000369974991 556746500 /nfs/dbraw/zinc/74/65/00/556746500.db2.gz QVXWXGYAIXCKCI-DZGCQCFKSA-N 1 0 364.377 2.007 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000370502918 556892655 /nfs/dbraw/zinc/89/26/55/556892655.db2.gz LZPTWJBEKLUCSG-MRXNPFEDSA-N 1 0 355.394 2.493 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000370827197 556981026 /nfs/dbraw/zinc/98/10/26/556981026.db2.gz QSWUTXNORWKDHM-XFBWCDHKSA-N 1 0 351.378 2.058 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370864872 556995124 /nfs/dbraw/zinc/99/51/24/556995124.db2.gz IXSMLZBRZUMXIE-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370951753 557025911 /nfs/dbraw/zinc/02/59/11/557025911.db2.gz AQJQJAVFTQAARX-ZDUSSCGKSA-N 1 0 364.427 2.264 20 5 FEBDRO CN1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371091582 557072422 /nfs/dbraw/zinc/07/24/22/557072422.db2.gz ZYXUUEKBWNSMMQ-KRWDZBQOSA-N 1 0 361.423 2.201 20 5 FEBDRO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000517219996 562080231 /nfs/dbraw/zinc/08/02/31/562080231.db2.gz GGHZMDATNMKDLY-YOEHRIQHSA-N 1 0 358.398 2.247 20 5 FEBDRO O=C([C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-])N1CCSCC1 ZINC000371585210 557230148 /nfs/dbraw/zinc/23/01/48/557230148.db2.gz OJVUYGAFJXKLKT-OAHLLOKOSA-N 1 0 353.419 2.274 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713799 557271952 /nfs/dbraw/zinc/27/19/52/557271952.db2.gz DRBOVXQIMPMDSF-QZTJIDSGSA-N 1 0 363.414 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000371842492 557309206 /nfs/dbraw/zinc/30/92/06/557309206.db2.gz YLJLHYQYLQXTQZ-HNNXBMFYSA-N 1 0 353.444 2.234 20 5 FEBDRO CC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047412 557365629 /nfs/dbraw/zinc/36/56/29/557365629.db2.gz QNIPERXCKYSECA-HKUYNNGSSA-N 1 0 362.474 2.042 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000372497309 557486146 /nfs/dbraw/zinc/48/61/46/557486146.db2.gz PQNQXHUOYGJRAX-SFHVURJKSA-N 1 0 357.414 2.113 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000372543535 557498908 /nfs/dbraw/zinc/49/89/08/557498908.db2.gz FAAGCDCHHFTNLC-ZSOGYDGISA-N 1 0 365.434 2.311 20 5 FEBDRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372617774 557522347 /nfs/dbraw/zinc/52/23/47/557522347.db2.gz QXGSHRABTYFLTC-ZDUSSCGKSA-N 1 0 352.822 2.357 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000372660347 557532022 /nfs/dbraw/zinc/53/20/22/557532022.db2.gz OHPPYTRHJRLOSG-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000373524010 557710894 /nfs/dbraw/zinc/71/08/94/557710894.db2.gz XDPNEOCNGUYHHW-AWEZNQCLSA-N 1 0 361.423 2.377 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929127 557789190 /nfs/dbraw/zinc/78/91/90/557789190.db2.gz LPRXCZYLDDCZSM-ZIAGYGMSSA-N 1 0 355.398 2.137 20 5 FEBDRO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000374022341 557809339 /nfs/dbraw/zinc/80/93/39/557809339.db2.gz PFPMWINCOIEFKX-BZPMIXESSA-N 1 0 353.444 2.370 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000374204914 557843166 /nfs/dbraw/zinc/84/31/66/557843166.db2.gz MFJULDKMCNNBNU-UHFFFAOYSA-N 1 0 363.462 2.262 20 5 FEBDRO C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000374260479 557853822 /nfs/dbraw/zinc/85/38/22/557853822.db2.gz WBIGUEVPSLXRBF-INIZCTEOSA-N 1 0 362.474 2.074 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000374390369 557877340 /nfs/dbraw/zinc/87/73/40/557877340.db2.gz VMZDPGPXYLHEMT-INIZCTEOSA-N 1 0 374.328 2.429 20 5 FEBDRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000374434089 557883551 /nfs/dbraw/zinc/88/35/51/557883551.db2.gz DTWRBRWRMMRHCC-CYBMUJFWSA-N 1 0 364.427 2.264 20 5 FEBDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000374473282 557888446 /nfs/dbraw/zinc/88/84/46/557888446.db2.gz UFTZMJKDTLACCH-INIZCTEOSA-N 1 0 360.414 2.397 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000374505716 557892461 /nfs/dbraw/zinc/89/24/61/557892461.db2.gz OGJJSIXQPRWABF-KCXAZCMYSA-N 1 0 360.414 2.055 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374597697 557904499 /nfs/dbraw/zinc/90/44/99/557904499.db2.gz WBUWZPMNSGQOEY-OAHLLOKOSA-N 1 0 362.474 2.204 20 5 FEBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000374644215 557911302 /nfs/dbraw/zinc/91/13/02/557911302.db2.gz GSUIDJBXPWDUMQ-KBXCAEBGSA-N 1 0 362.382 2.236 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000374917078 557950807 /nfs/dbraw/zinc/95/08/07/557950807.db2.gz XWYWZBUTPQETGE-GWCFXTLKSA-N 1 0 355.341 2.362 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@H]21 ZINC000375050316 557969969 /nfs/dbraw/zinc/96/99/69/557969969.db2.gz QIGUPNDMKMDDNF-KBXCAEBGSA-N 1 0 358.442 2.361 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000375051526 557970066 /nfs/dbraw/zinc/97/00/66/557970066.db2.gz WIWXHOPGOUBYSO-OALUTQOASA-N 1 0 369.421 2.408 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000521426438 562176018 /nfs/dbraw/zinc/17/60/18/562176018.db2.gz AMCSHVJWCMXFTB-INIZCTEOSA-N 1 0 358.394 2.102 20 5 FEBDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000375517747 558042075 /nfs/dbraw/zinc/04/20/75/558042075.db2.gz ZTRXUCDSZPCITR-GPMSIDNRSA-N 1 0 369.425 2.315 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000376013254 558113616 /nfs/dbraw/zinc/11/36/16/558113616.db2.gz HCVUWAFAQOIWHT-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c([N+](=O)[O-])cc1OC ZINC000521611669 562180124 /nfs/dbraw/zinc/18/01/24/562180124.db2.gz SYIJXZWYDFQCFA-LLVKDONJSA-N 1 0 372.381 2.075 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000521633465 562180842 /nfs/dbraw/zinc/18/08/42/562180842.db2.gz BVHGLIQOQRXSDV-UHFFFAOYSA-N 1 0 363.462 2.476 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000376418453 558170628 /nfs/dbraw/zinc/17/06/28/558170628.db2.gz XUAFHWBAQPROIZ-VIFPVBQESA-N 1 0 359.329 2.077 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451851 558175095 /nfs/dbraw/zinc/17/50/95/558175095.db2.gz XIRZQDCBLLTREX-KBXCAEBGSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000377168180 558280724 /nfs/dbraw/zinc/28/07/24/558280724.db2.gz JPKCRNMXXGKTRW-XYPHTWIQSA-N 1 0 374.441 2.350 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377841406 558433001 /nfs/dbraw/zinc/43/30/01/558433001.db2.gz AREMPJDNTHOCJG-NSHDSACASA-N 1 0 356.810 2.169 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378236340 558508342 /nfs/dbraw/zinc/50/83/42/558508342.db2.gz XNVWOOGMGSUWKQ-MLGOLLRUSA-N 1 0 370.409 2.453 20 5 FEBDRO Nc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000378512237 558572699 /nfs/dbraw/zinc/57/26/99/558572699.db2.gz DTJURNZGBGIZTF-GOEBONIOSA-N 1 0 358.373 2.192 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000378644737 558600058 /nfs/dbraw/zinc/60/00/58/558600058.db2.gz ABLDWHRMYRFNKO-UHFFFAOYSA-N 1 0 369.487 2.032 20 5 FEBDRO C[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000409647646 558710625 /nfs/dbraw/zinc/71/06/25/558710625.db2.gz CKFPYOLVSKBGDK-JSGCOSHPSA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524780777 562234605 /nfs/dbraw/zinc/23/46/05/562234605.db2.gz NAAUPNAYQNUFEF-ZFWWWQNUSA-N 1 0 350.419 2.098 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000411243058 558859254 /nfs/dbraw/zinc/85/92/54/558859254.db2.gz FHIMLNVMMKJMQF-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424710 558892591 /nfs/dbraw/zinc/89/25/91/558892591.db2.gz LLTMVTUZTDKJTL-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428585 558893474 /nfs/dbraw/zinc/89/34/74/558893474.db2.gz QAGJFUNJJAGMLD-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411453366 558897634 /nfs/dbraw/zinc/89/76/34/558897634.db2.gz HWJKQBSTVLJAGQ-UHFFFAOYSA-N 1 0 364.446 2.340 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000411473572 558901176 /nfs/dbraw/zinc/90/11/76/558901176.db2.gz OZRKWIGPIJBIEU-NEPJUHHUSA-N 1 0 351.378 2.028 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000411484174 558902697 /nfs/dbraw/zinc/90/26/97/558902697.db2.gz OPWNPXOJFVQLIJ-OAHLLOKOSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000411755317 558957154 /nfs/dbraw/zinc/95/71/54/558957154.db2.gz IKGVXSZKRIZIJH-SCLBCKFNSA-N 1 0 370.409 2.171 20 5 FEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776765 558960637 /nfs/dbraw/zinc/96/06/37/558960637.db2.gz XOHSFVWOSFBBEQ-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525809897 562255845 /nfs/dbraw/zinc/25/58/45/562255845.db2.gz YSJANGBJMOGNDP-OAHLLOKOSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858296 558977547 /nfs/dbraw/zinc/97/75/47/558977547.db2.gz CQAVTBGXCIRQNU-CQSZACIVSA-N 1 0 364.446 2.347 20 5 FEBDRO O=C(C[NH2+]C1(CO)C2CC3CC(C2)CC1C3)Nc1ccccc1[N+](=O)[O-] ZINC000412003633 559001377 /nfs/dbraw/zinc/00/13/77/559001377.db2.gz QOGBHVHFESHEHN-UHFFFAOYSA-N 1 0 359.426 2.310 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000413193471 559087475 /nfs/dbraw/zinc/08/74/75/559087475.db2.gz ACXZIONXIQVHBJ-UHFFFAOYSA-N 1 0 351.426 2.124 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000414457858 559165242 /nfs/dbraw/zinc/16/52/42/559165242.db2.gz GVIXXBXJQDNUOJ-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@H](C)C[NH2+]C)c([N+](=O)[O-])cc1OCC ZINC000414759439 559185797 /nfs/dbraw/zinc/18/57/97/559185797.db2.gz OHZVBQXDWMDKKR-LLVKDONJSA-N 1 0 354.407 2.369 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415422697 559234064 /nfs/dbraw/zinc/23/40/64/559234064.db2.gz FAUZGIWCCZRMGI-MRXNPFEDSA-N 1 0 362.430 2.120 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000415443553 559237625 /nfs/dbraw/zinc/23/76/25/559237625.db2.gz DINIPVYSCNKCFA-UHFFFAOYSA-N 1 0 362.430 2.270 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415516909 559245691 /nfs/dbraw/zinc/24/56/91/559245691.db2.gz KKQOERSOARXOCS-MRXNPFEDSA-N 1 0 374.441 2.086 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000415598607 559254102 /nfs/dbraw/zinc/25/41/02/559254102.db2.gz KWWMHXGXQSXFLF-UHFFFAOYSA-N 1 0 364.402 2.153 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415597839 559254115 /nfs/dbraw/zinc/25/41/15/559254115.db2.gz JZBHQDGIEZPFOR-KRWDZBQOSA-N 1 0 364.402 2.201 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415863119 559279457 /nfs/dbraw/zinc/27/94/57/559279457.db2.gz QVCDRJAVLLIZLE-MRXNPFEDSA-N 1 0 374.441 2.078 20 5 FEBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000416187166 559297193 /nfs/dbraw/zinc/29/71/93/559297193.db2.gz DYVMGZDYQFODSA-UHFFFAOYSA-N 1 0 366.421 2.323 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000416552741 559321429 /nfs/dbraw/zinc/32/14/29/559321429.db2.gz HYWUPNNXQGCNBF-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416884520 559336581 /nfs/dbraw/zinc/33/65/81/559336581.db2.gz KWGMRELLRNEEED-RKDXNWHRSA-N 1 0 363.340 2.060 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417198224 559352612 /nfs/dbraw/zinc/35/26/12/559352612.db2.gz QTJXSCXVWQNQKP-LSDHHAIUSA-N 1 0 362.430 2.135 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000417202677 559352709 /nfs/dbraw/zinc/35/27/09/559352709.db2.gz XULZWRKFCZEAGN-UHFFFAOYSA-N 1 0 362.430 2.279 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417996623 559385748 /nfs/dbraw/zinc/38/57/48/559385748.db2.gz SVRLJVMGIZPVTE-JSGCOSHPSA-N 1 0 352.822 2.184 20 5 FEBDRO C[C@H](NC(=O)N1CCC(OCCC[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418231856 559394798 /nfs/dbraw/zinc/39/47/98/559394798.db2.gz LVZYYVKVYYLUME-ZDUSSCGKSA-N 1 0 350.419 2.195 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC000418371393 559399382 /nfs/dbraw/zinc/39/93/82/559399382.db2.gz XLDGBCXROHQBJI-QGZVFWFLSA-N 1 0 362.430 2.275 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000418374462 559399479 /nfs/dbraw/zinc/39/94/79/559399479.db2.gz GUTABEPCTHPPMW-MRXNPFEDSA-N 1 0 362.430 2.406 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418573838 559406788 /nfs/dbraw/zinc/40/67/88/559406788.db2.gz LQTBNCSFRACVFG-DYVFJYSZSA-N 1 0 362.430 2.146 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000418612769 559407837 /nfs/dbraw/zinc/40/78/37/559407837.db2.gz VYJXZPNWXFIZNR-KBPBESRZSA-N 1 0 362.430 2.288 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000418773979 559415366 /nfs/dbraw/zinc/41/53/66/559415366.db2.gz CPTIYEHMSHPZSR-CHWSQXEVSA-N 1 0 370.409 2.108 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000418996201 559424813 /nfs/dbraw/zinc/42/48/13/559424813.db2.gz JTRMIUSIIOORTC-OLZOCXBDSA-N 1 0 360.414 2.043 20 5 FEBDRO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420258406 559477867 /nfs/dbraw/zinc/47/78/67/559477867.db2.gz KZHYIGKQSAQNSK-GFCCVEGCSA-N 1 0 358.364 2.406 20 5 FEBDRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000421357900 559540098 /nfs/dbraw/zinc/54/00/98/559540098.db2.gz AHVDZVQZADTLNG-CTYIDZIISA-N 1 0 371.441 2.377 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000421403821 559541365 /nfs/dbraw/zinc/54/13/65/559541365.db2.gz YASGPXAHZTWLFH-NUEKZKHPSA-N 1 0 356.430 2.287 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000421770277 559552714 /nfs/dbraw/zinc/55/27/14/559552714.db2.gz UJSUGLGTHDWUPY-UHFFFAOYSA-N 1 0 374.485 2.311 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000422232747 559572595 /nfs/dbraw/zinc/57/25/95/559572595.db2.gz BMEHIQPHQFLRQO-UHFFFAOYSA-N 1 0 362.430 2.240 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H](C[NH3+])C1CC1 ZINC000423940732 559647297 /nfs/dbraw/zinc/64/72/97/559647297.db2.gz AZMQZHMPICUDJG-CYBMUJFWSA-N 1 0 356.220 2.096 20 5 FEBDRO CC(C)(C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)n1cc([N+](=O)[O-])cn1 ZINC000423943052 559647443 /nfs/dbraw/zinc/64/74/43/559647443.db2.gz FUFMSLJRSWFKIV-UHFFFAOYSA-N 1 0 364.431 2.089 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423995373 559649659 /nfs/dbraw/zinc/64/96/59/559649659.db2.gz JJAYLNXLUATTLV-ZDUSSCGKSA-N 1 0 373.434 2.464 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424007093 559650453 /nfs/dbraw/zinc/65/04/53/559650453.db2.gz URTRBZUGWASIRM-VQIMIIECSA-N 1 0 361.442 2.191 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424006578 559650499 /nfs/dbraw/zinc/65/04/99/559650499.db2.gz UPCSGBCSGWKBCA-HOTGVXAUSA-N 1 0 351.378 2.092 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000527327347 562285477 /nfs/dbraw/zinc/28/54/77/562285477.db2.gz PPRBXEAWTVHRLV-UHFFFAOYSA-N 1 0 362.430 2.112 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000426128129 559730064 /nfs/dbraw/zinc/73/00/64/559730064.db2.gz OULYETJRMNDEBL-LLVKDONJSA-N 1 0 361.320 2.104 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000426951746 559744780 /nfs/dbraw/zinc/74/47/80/559744780.db2.gz QVAUSONHPRXSAB-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO O=C(NCC1CC[NH2+]CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000428159563 559770715 /nfs/dbraw/zinc/77/07/15/559770715.db2.gz SNOGCSQJARGIMQ-UHFFFAOYSA-N 1 0 361.320 2.265 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428307625 559773190 /nfs/dbraw/zinc/77/31/90/559773190.db2.gz VSMKDMCOBPZIER-CQSZACIVSA-N 1 0 360.418 2.185 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428989239 559787547 /nfs/dbraw/zinc/78/75/47/559787547.db2.gz BYOOMBQYKUDAPO-ZDUSSCGKSA-N 1 0 373.182 2.016 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000429502709 559800031 /nfs/dbraw/zinc/80/00/31/559800031.db2.gz IFPTTWCBZOQRCW-GOEBONIOSA-N 1 0 351.403 2.479 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430586915 559823674 /nfs/dbraw/zinc/82/36/74/559823674.db2.gz UJNZKKUVZIPNPA-AWEZNQCLSA-N 1 0 352.435 2.237 20 5 FEBDRO CC[NH2+]CC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430591533 559823919 /nfs/dbraw/zinc/82/39/19/559823919.db2.gz KIEZEJRHXKUQAW-ZDUSSCGKSA-N 1 0 364.446 2.252 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430617816 559824839 /nfs/dbraw/zinc/82/48/39/559824839.db2.gz PEWOJQKLOYIHCF-HNNXBMFYSA-N 1 0 358.398 2.357 20 5 FEBDRO CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431076602 559833555 /nfs/dbraw/zinc/83/35/55/559833555.db2.gz FXBJAICXQSKGGA-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO O=C(CNc1c(F)cc([N+](=O)[O-])cc1F)NCC[NH+]1CCCCCC1 ZINC000431495012 559840330 /nfs/dbraw/zinc/84/03/30/559840330.db2.gz NOLLGWFNHCKABX-UHFFFAOYSA-N 1 0 356.373 2.277 20 5 FEBDRO Cc1c(CNC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000433456676 559881910 /nfs/dbraw/zinc/88/19/10/559881910.db2.gz NDADHJVULBHPOA-AWEZNQCLSA-N 1 0 364.446 2.203 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000433562538 559884322 /nfs/dbraw/zinc/88/43/22/559884322.db2.gz XFAWAWHHWSYTQA-UHFFFAOYSA-N 1 0 360.458 2.225 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000433999392 559892406 /nfs/dbraw/zinc/89/24/06/559892406.db2.gz NNWBKRUKVBVIDB-PZTPBZSWSA-N 1 0 369.425 2.434 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000434674044 559905580 /nfs/dbraw/zinc/90/55/80/559905580.db2.gz TXTAZBIOPOUAGE-UHFFFAOYSA-N 1 0 371.441 2.328 20 5 FEBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000434791790 559909451 /nfs/dbraw/zinc/90/94/51/559909451.db2.gz BINYNLWPNAJTHJ-JKSUJKDBSA-N 1 0 351.403 2.015 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435247340 559918841 /nfs/dbraw/zinc/91/88/41/559918841.db2.gz WEJXWPRJJKXBPD-GWCFXTLKSA-N 1 0 353.806 2.368 20 5 FEBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000435754762 559929582 /nfs/dbraw/zinc/92/95/82/559929582.db2.gz YKGBNXVHRLSXLD-UHFFFAOYSA-N 1 0 367.402 2.144 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([S@](C)=O)CCC1 ZINC000436301737 559939469 /nfs/dbraw/zinc/93/94/69/559939469.db2.gz NTJTXQUNEOCRJC-MCFWBGNESA-N 1 0 353.444 2.203 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437755375 559969082 /nfs/dbraw/zinc/96/90/82/559969082.db2.gz FQDSEBFSPVZHGO-BMFZPTHFSA-N 1 0 351.378 2.058 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000439485245 559995432 /nfs/dbraw/zinc/99/54/32/559995432.db2.gz IOYIVACSJMOTDT-SFHVURJKSA-N 1 0 366.414 2.265 20 5 FEBDRO CC(C)C[N@@H+](Cc1ccccc1F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441549291 560035458 /nfs/dbraw/zinc/03/54/58/560035458.db2.gz XCYIHLRRMQJMKJ-MRXNPFEDSA-N 1 0 350.394 2.450 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443063236 560068667 /nfs/dbraw/zinc/06/86/67/560068667.db2.gz DBGKMJHICPRHDK-JSGCOSHPSA-N 1 0 352.387 2.146 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000444922744 560124931 /nfs/dbraw/zinc/12/49/31/560124931.db2.gz PIFRCYQANMZISZ-AWEZNQCLSA-N 1 0 366.418 2.082 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445140348 560129614 /nfs/dbraw/zinc/12/96/14/560129614.db2.gz SHJTVCAUXUMWGL-KBPBESRZSA-N 1 0 370.409 2.430 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447939365 560174031 /nfs/dbraw/zinc/17/40/31/560174031.db2.gz KBDJTVGWWNDTBH-OAHLLOKOSA-N 1 0 371.459 2.002 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000447946378 560174338 /nfs/dbraw/zinc/17/43/38/560174338.db2.gz UXCWQZNMDCZUPF-HNNXBMFYSA-N 1 0 355.460 2.135 20 5 FEBDRO CCCNC(=O)CN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449075673 560215177 /nfs/dbraw/zinc/21/51/77/560215177.db2.gz FVXVBDPHQVUSPK-OAHLLOKOSA-N 1 0 362.474 2.106 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000449110584 560216211 /nfs/dbraw/zinc/21/62/11/560216211.db2.gz DZVXJCUYNWPTFN-YJBOKZPZSA-N 1 0 362.474 2.058 20 5 FEBDRO Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449169106 560218731 /nfs/dbraw/zinc/21/87/31/560218731.db2.gz CHMHUDAHCPXAKX-CZUORRHYSA-N 1 0 371.441 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000449398313 560228836 /nfs/dbraw/zinc/22/88/36/560228836.db2.gz XRGISQAEXRGFBR-AWEZNQCLSA-N 1 0 359.373 2.133 20 5 FEBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449463135 560231163 /nfs/dbraw/zinc/23/11/63/560231163.db2.gz WNEXJQBMUCNUHW-YOEHRIQHSA-N 1 0 360.414 2.136 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000449618344 560234950 /nfs/dbraw/zinc/23/49/50/560234950.db2.gz BCPLJYWHQZRVGH-SECBINFHSA-N 1 0 352.135 2.070 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)F ZINC000449630852 560235126 /nfs/dbraw/zinc/23/51/26/560235126.db2.gz VUYKGKFXVWXSSB-SNVBAGLBSA-N 1 0 356.354 2.431 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000449638586 560235233 /nfs/dbraw/zinc/23/52/33/560235233.db2.gz LFWINVQSDXAMLM-RYUDHWBXSA-N 1 0 351.403 2.249 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1SC ZINC000449726517 560238308 /nfs/dbraw/zinc/23/83/08/560238308.db2.gz XQHUSMVAHAYVMA-LLVKDONJSA-N 1 0 367.349 2.335 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054525 560249418 /nfs/dbraw/zinc/24/94/18/560249418.db2.gz YAADDCSUPLKDJA-CVEARBPZSA-N 1 0 369.425 2.479 20 5 FEBDRO COCC[N@@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000450313092 560258137 /nfs/dbraw/zinc/25/81/37/560258137.db2.gz OXMGFIOUXZFEJQ-ZDUSSCGKSA-N 1 0 360.414 2.309 20 5 FEBDRO COc1ccc(C[C@](C)([NH3+])CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000450405545 560261470 /nfs/dbraw/zinc/26/14/70/560261470.db2.gz OXBGUAMWJBYARZ-SFHVURJKSA-N 1 0 355.398 2.274 20 5 FEBDRO CCN1CC[NH+](CC(C)(C)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000450923056 560278601 /nfs/dbraw/zinc/27/86/01/560278601.db2.gz PTHNTRTVTFMNJX-UHFFFAOYSA-N 1 0 364.475 2.428 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450927830 560278888 /nfs/dbraw/zinc/27/88/88/560278888.db2.gz DSBVRQSNMKXFKA-OAHLLOKOSA-N 1 0 357.414 2.383 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451292902 560298544 /nfs/dbraw/zinc/29/85/44/560298544.db2.gz BZYMPTPZZMEACB-DRZSPHRISA-N 1 0 350.341 2.253 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000451478928 560309469 /nfs/dbraw/zinc/30/94/69/560309469.db2.gz KNXRFOMDKUPWOF-RKTXRCNFSA-N 1 0 350.415 2.128 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689657 560322147 /nfs/dbraw/zinc/32/21/47/560322147.db2.gz MBISGERQRPIADB-HOCLYGCPSA-N 1 0 369.425 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)CN1CCCC1 ZINC000452096530 560351129 /nfs/dbraw/zinc/35/11/29/560351129.db2.gz NWJDGHLRCXHBHU-UHFFFAOYSA-N 1 0 364.446 2.396 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455245269 560475317 /nfs/dbraw/zinc/47/53/17/560475317.db2.gz LFLQEUBCJRIKJA-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455888616 560499239 /nfs/dbraw/zinc/49/92/39/560499239.db2.gz DSRFYDCQRISIEL-UHFFFAOYSA-N 1 0 373.417 2.055 20 5 FEBDRO CNc1nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000225 560503939 /nfs/dbraw/zinc/50/39/39/560503939.db2.gz QVMBWRYMORTWFD-IUODEOHRSA-N 1 0 359.430 2.120 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000456522321 560523200 /nfs/dbraw/zinc/52/32/00/560523200.db2.gz DAEHBJQSDRBGAW-AWEZNQCLSA-N 1 0 372.425 2.465 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000456551603 560524096 /nfs/dbraw/zinc/52/40/96/560524096.db2.gz LZCJPYPYIFIAND-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000456905444 560537014 /nfs/dbraw/zinc/53/70/14/560537014.db2.gz UBZBCINQCCCYGB-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457055611 560546040 /nfs/dbraw/zinc/54/60/40/560546040.db2.gz SKBIBPGWPOVGKU-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000457929024 560594595 /nfs/dbraw/zinc/59/45/95/560594595.db2.gz MZOPOHZHEVXOON-ZDUSSCGKSA-N 1 0 362.430 2.229 20 5 FEBDRO CC[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514710 560628807 /nfs/dbraw/zinc/62/88/07/560628807.db2.gz RLIWCSKMIAYFGW-RDJZCZTQSA-N 1 0 364.446 2.192 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459278697 560677508 /nfs/dbraw/zinc/67/75/08/560677508.db2.gz BMMMJTIPPMXJRR-CQSZACIVSA-N 1 0 362.430 2.099 20 5 FEBDRO CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459601358 560697031 /nfs/dbraw/zinc/69/70/31/560697031.db2.gz XKKGBYBFUQLHBJ-INIZCTEOSA-N 1 0 362.430 2.226 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)s1 ZINC000459696531 560702876 /nfs/dbraw/zinc/70/28/76/560702876.db2.gz LMKVHSSDPKWNHA-GFCCVEGCSA-N 1 0 359.411 2.066 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@](O)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459717182 560704239 /nfs/dbraw/zinc/70/42/39/560704239.db2.gz MFRJGTZXECVSLG-GOSISDBHSA-N 1 0 362.382 2.183 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781745 560707947 /nfs/dbraw/zinc/70/79/47/560707947.db2.gz MHXAQINMLACWMM-JKSUJKDBSA-N 1 0 364.398 2.194 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000460110907 560735039 /nfs/dbraw/zinc/73/50/39/560735039.db2.gz PKWOLRJPQPLJHF-UHFFFAOYSA-N 1 0 372.381 2.016 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000460953468 560756930 /nfs/dbraw/zinc/75/69/30/560756930.db2.gz SVALXGHQNUOUEY-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461095185 560761368 /nfs/dbraw/zinc/76/13/68/560761368.db2.gz BUZAGJDPTJIAHH-CXAGYDPISA-N 1 0 365.430 2.079 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468320773 560927048 /nfs/dbraw/zinc/92/70/48/560927048.db2.gz AOVNKKSCPSAJCC-OAHLLOKOSA-N 1 0 362.430 2.242 20 5 FEBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000469759062 560963746 /nfs/dbraw/zinc/96/37/46/560963746.db2.gz VSEIPZGVZAMGBW-LBPRGKRZSA-N 1 0 372.381 2.374 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173252 560975948 /nfs/dbraw/zinc/97/59/48/560975948.db2.gz KKXXVYRGWAELOO-OVHOFWQVSA-N 1 0 353.444 2.012 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000470170321 560976019 /nfs/dbraw/zinc/97/60/19/560976019.db2.gz SEFOAJXMCXAJJD-GHRIWEEISA-N 1 0 372.469 2.238 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000470182980 560976371 /nfs/dbraw/zinc/97/63/71/560976371.db2.gz LJSAUMZJVZQDEN-SDNWHVSQSA-N 1 0 367.471 2.354 20 5 FEBDRO COC(=O)c1cn([C@@H]2CC[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208204 560976754 /nfs/dbraw/zinc/97/67/54/560976754.db2.gz GOTDCSGSXBEQNL-LPDYGMJQSA-N 1 0 371.397 2.323 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000474001004 561063165 /nfs/dbraw/zinc/06/31/65/561063165.db2.gz OWPJGPYJEFLQAM-JSGCOSHPSA-N 1 0 352.387 2.051 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCC2)cc1OC ZINC000474102290 561065666 /nfs/dbraw/zinc/06/56/66/561065666.db2.gz ZTHUYWKBGORKOB-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2scnc2C)cc1[N+](=O)[O-] ZINC000474345451 561071713 /nfs/dbraw/zinc/07/17/13/561071713.db2.gz AUBYFRQGFBSENX-UHFFFAOYSA-N 1 0 351.384 2.201 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000474381147 561072776 /nfs/dbraw/zinc/07/27/76/561072776.db2.gz VBZBPSRWGPQYPS-SQWLQELKSA-N 1 0 364.398 2.194 20 5 FEBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475110849 561090698 /nfs/dbraw/zinc/09/06/98/561090698.db2.gz OOKCURKMOGPUML-HNNXBMFYSA-N 1 0 366.414 2.395 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000475131170 561091208 /nfs/dbraw/zinc/09/12/08/561091208.db2.gz TWPSDCJWEXRUAL-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c(C)c2)CC1 ZINC000476060676 561110493 /nfs/dbraw/zinc/11/04/93/561110493.db2.gz FUBMEYJJHSBFIY-UHFFFAOYSA-N 1 0 372.429 2.031 20 5 FEBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476059932 561110534 /nfs/dbraw/zinc/11/05/34/561110534.db2.gz HOYZMKBKBWUUTJ-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000476355962 561117501 /nfs/dbraw/zinc/11/75/01/561117501.db2.gz RKIVHQSPOLOLRI-HNNXBMFYSA-N 1 0 357.414 2.113 20 5 FEBDRO CC(C)(O)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000530701053 562421196 /nfs/dbraw/zinc/42/11/96/562421196.db2.gz XLOAJYQHVNVZEU-UHFFFAOYSA-N 1 0 366.414 2.213 20 5 FEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000533447778 562509080 /nfs/dbraw/zinc/50/90/80/562509080.db2.gz OMEPZMZTNYJUNR-UHFFFAOYSA-N 1 0 372.219 2.407 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)CCSC1 ZINC000533806678 562518609 /nfs/dbraw/zinc/51/86/09/562518609.db2.gz HZFJXKRMNHOSII-KRWDZBQOSA-N 1 0 364.471 2.100 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCN(C)CC1 ZINC000534251850 562528604 /nfs/dbraw/zinc/52/86/04/562528604.db2.gz VFUIPGXBXGHXPJ-KRWDZBQOSA-N 1 0 373.457 2.078 20 5 FEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000537222425 562588014 /nfs/dbraw/zinc/58/80/14/562588014.db2.gz ZSYCDXUQIZXPKQ-CQSZACIVSA-N 1 0 351.403 2.337 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541022355 562600514 /nfs/dbraw/zinc/60/05/14/562600514.db2.gz AHIVZWZDRYTLJP-CQSZACIVSA-N 1 0 371.315 2.099 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CCO)c2ccccc2Br)c1 ZINC000541021322 562600575 /nfs/dbraw/zinc/60/05/75/562600575.db2.gz XODDPFOMXFYIKG-CQSZACIVSA-N 1 0 369.219 2.267 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541022354 562600649 /nfs/dbraw/zinc/60/06/49/562600649.db2.gz AHIVZWZDRYTLJP-AWEZNQCLSA-N 1 0 371.315 2.099 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228009 562606457 /nfs/dbraw/zinc/60/64/57/562606457.db2.gz CRHPKOWRJSNLGJ-CJNGLKHVSA-N 1 0 357.414 2.170 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000541649618 562617166 /nfs/dbraw/zinc/61/71/66/562617166.db2.gz MJAQCWYOTLHRKR-OLZOCXBDSA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542069873 562626326 /nfs/dbraw/zinc/62/63/26/562626326.db2.gz KNHDORBSPTWGMW-LJQANCHMSA-N 1 0 371.393 2.179 20 5 FEBDRO COc1ccc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000545472763 562627695 /nfs/dbraw/zinc/62/76/95/562627695.db2.gz AUUDXKCSDIMRLI-AWEZNQCLSA-N 1 0 363.801 2.443 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000546063832 562633229 /nfs/dbraw/zinc/63/32/29/562633229.db2.gz RDHPSZIMWPGXPX-OAHLLOKOSA-N 1 0 367.471 2.088 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H](CO)Cc3ccccc3)CC2)cn1 ZINC000602523359 567987494 /nfs/dbraw/zinc/98/74/94/567987494.db2.gz GYDZTDSFQVZWNM-KRWDZBQOSA-N 1 0 370.453 2.399 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000569112080 568278009 /nfs/dbraw/zinc/27/80/09/568278009.db2.gz MQWRSQPKLDJGKO-XNRPHZJLSA-N 1 0 350.806 2.341 20 5 FEBDRO C[C@H]1CC2(CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000584714549 568366006 /nfs/dbraw/zinc/36/60/06/568366006.db2.gz GMZXQRRJCGHVIW-NSHDSACASA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000570201638 568460933 /nfs/dbraw/zinc/46/09/33/568460933.db2.gz AIEXKZLSXGDLDM-KRWDZBQOSA-N 1 0 374.393 2.336 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556067 599123805 /nfs/dbraw/zinc/12/38/05/599123805.db2.gz UVEANNXVTSXOEI-GFCCVEGCSA-N 1 0 356.390 2.055 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736239781 598498519 /nfs/dbraw/zinc/49/85/19/598498519.db2.gz XVJWBBUVLKPPFK-UPJWGTAASA-N 1 0 372.433 2.012 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557494480 674450919 /nfs/dbraw/zinc/45/09/19/674450919.db2.gz ZKJRJCCHGIFCSE-WCQYABFASA-N 1 0 350.419 2.617 20 5 FEBDRO C[C@H]1CC[C@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000557727235 674462811 /nfs/dbraw/zinc/46/28/11/674462811.db2.gz GXQCWCUHHUDHIH-GXTWGEPZSA-N 1 0 370.475 2.035 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000738357161 599534496 /nfs/dbraw/zinc/53/44/96/599534496.db2.gz DPVXALLSKLYEHZ-UHFFFAOYSA-N 1 0 357.418 2.230 20 5 FEBDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705147 674506245 /nfs/dbraw/zinc/50/62/45/674506245.db2.gz OVQDBYBLSVXCRX-MEDUHNTESA-N 1 0 366.805 2.201 20 5 FEBDRO [NH3+]CCN(Cc1ncc(C2OCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809734451 674507819 /nfs/dbraw/zinc/50/78/19/674507819.db2.gz DVEPPTNZUZASRX-UHFFFAOYSA-N 1 0 350.400 2.062 20 5 FEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000809821052 674512919 /nfs/dbraw/zinc/51/29/19/674512919.db2.gz HHFQCVBJYICEOP-DTWKUNHWSA-N 1 0 365.814 2.148 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809861193 674518037 /nfs/dbraw/zinc/51/80/37/674518037.db2.gz SJMDHGWDRCRRNL-VIFPVBQESA-N 1 0 367.830 2.394 20 5 FEBDRO COc1cc(C[N@H+](CCNC(C)=O)C2CCSCC2)ccc1[N+](=O)[O-] ZINC000558864700 674518533 /nfs/dbraw/zinc/51/85/33/674518533.db2.gz ZWVMJWARUJYYGV-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810441054 674544956 /nfs/dbraw/zinc/54/49/56/674544956.db2.gz BIFJHXIYIXKEIF-JTQLQIEISA-N 1 0 356.810 2.032 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000559588594 674548906 /nfs/dbraw/zinc/54/89/06/674548906.db2.gz PBKYJNIVUYMRRF-LBPRGKRZSA-N 1 0 364.427 2.861 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029197 608379610 /nfs/dbraw/zinc/37/96/10/608379610.db2.gz QIOVXQQRXWSIFL-NSHDSACASA-N 1 0 368.401 2.077 20 5 FEBDRO COCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581279291 671880887 /nfs/dbraw/zinc/88/08/87/671880887.db2.gz VWFDCTJRUXHNJG-UHFFFAOYSA-N 1 0 350.156 2.278 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811600641 674616380 /nfs/dbraw/zinc/61/63/80/674616380.db2.gz JPNAJKNYVDNICU-LBPRGKRZSA-N 1 0 352.391 2.281 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811938852 674641001 /nfs/dbraw/zinc/64/10/01/674641001.db2.gz JPNAJKNYVDNICU-GFCCVEGCSA-N 1 0 352.391 2.281 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C(CO)CO)cc1 ZINC000561522309 674674975 /nfs/dbraw/zinc/67/49/75/674674975.db2.gz AEPUGWJCCZPXCH-UHFFFAOYSA-N 1 0 352.774 2.483 20 5 FEBDRO COc1cc(CC[NH2+]C[C@@](C)(O)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000561582843 674681986 /nfs/dbraw/zinc/68/19/86/674681986.db2.gz USTNKTXDJQGLDK-CYBMUJFWSA-N 1 0 352.309 2.057 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000563115402 674848399 /nfs/dbraw/zinc/84/83/99/674848399.db2.gz BCPNTDMHCIHYSW-LBPRGKRZSA-N 1 0 368.365 2.445 20 5 FEBDRO CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814972507 674891035 /nfs/dbraw/zinc/89/10/35/674891035.db2.gz IGOMNEUDRRDRLA-UHFFFAOYSA-N 1 0 353.803 2.007 20 5 FEBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC1 ZINC000815041744 674905889 /nfs/dbraw/zinc/90/58/89/674905889.db2.gz SCGISUIXAKVEBA-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO O=C(CNCc1ccc([N+](=O)[O-])c(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000816620662 675068986 /nfs/dbraw/zinc/06/89/86/675068986.db2.gz FQAGDHVFCIXCQD-UHFFFAOYSA-N 1 0 368.865 2.330 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000816950188 675090038 /nfs/dbraw/zinc/09/00/38/675090038.db2.gz MZKFCBOCARPTIF-PELKAZGASA-N 1 0 372.194 2.273 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000061241306 670393354 /nfs/dbraw/zinc/39/33/54/670393354.db2.gz UBJWBKAMYUCCBT-UHFFFAOYSA-N 1 0 350.375 2.355 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000074394726 670518568 /nfs/dbraw/zinc/51/85/68/670518568.db2.gz SVMVKTHPAFXRFA-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000077667551 670571190 /nfs/dbraw/zinc/57/11/90/670571190.db2.gz UZDDDVTVVWBBSO-LLVKDONJSA-N 1 0 350.375 2.273 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565417162 675119795 /nfs/dbraw/zinc/11/97/95/675119795.db2.gz OWYVMPZTJGOZKQ-HNNXBMFYSA-N 1 0 369.487 2.079 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1C ZINC000565539463 675130739 /nfs/dbraw/zinc/13/07/39/675130739.db2.gz OYWNNTNCBJVOTD-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO C[C@H]1C[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570446998 670714760 /nfs/dbraw/zinc/71/47/60/670714760.db2.gz NWZJBOWWKNIHJF-KBPBESRZSA-N 1 0 356.444 2.163 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000572585748 671019987 /nfs/dbraw/zinc/01/99/87/671019987.db2.gz OTGLKIHWVAHVCD-UHFFFAOYSA-N 1 0 350.419 2.005 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000573010879 671071398 /nfs/dbraw/zinc/07/13/98/671071398.db2.gz VTQRPBFKDRQOSS-AWEZNQCLSA-N 1 0 357.476 2.177 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000573167115 671089970 /nfs/dbraw/zinc/08/99/70/671089970.db2.gz WXCXAXMBPNOUQT-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000817880520 675184759 /nfs/dbraw/zinc/18/47/59/675184759.db2.gz XUXMHANAKPGYNO-GRYCIOLGSA-N 1 0 354.838 2.492 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000575097279 671298120 /nfs/dbraw/zinc/29/81/20/671298120.db2.gz CKUSQCCFINYMQA-VHSXEESVSA-N 1 0 354.204 2.039 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000818033479 675192288 /nfs/dbraw/zinc/19/22/88/675192288.db2.gz ICWJZTJWDOSFAB-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000576585275 671379333 /nfs/dbraw/zinc/37/93/33/671379333.db2.gz ZJICCYIUEJKLEA-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000608813260 675904664 /nfs/dbraw/zinc/90/46/64/675904664.db2.gz IAEWJSFPCPZVFR-UHFFFAOYSA-N 1 0 351.451 2.105 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000609269209 675916348 /nfs/dbraw/zinc/91/63/48/675916348.db2.gz NEOWCCVTQVMLSD-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000578009292 671634252 /nfs/dbraw/zinc/63/42/52/671634252.db2.gz NWDMYPIZXWJZKB-LSDHHAIUSA-N 1 0 353.444 2.062 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000578669763 671681581 /nfs/dbraw/zinc/68/15/81/671681581.db2.gz SPKAGJDFORROIN-QWRGUYRKSA-N 1 0 358.236 2.497 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000580186479 671788671 /nfs/dbraw/zinc/78/86/71/671788671.db2.gz WBAZOLSRGLKTQE-CQSZACIVSA-N 1 0 367.471 2.452 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000580631322 671822047 /nfs/dbraw/zinc/82/20/47/671822047.db2.gz ZDDALICYADPTBO-UHFFFAOYSA-N 1 0 351.451 2.296 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000580902072 671845037 /nfs/dbraw/zinc/84/50/37/671845037.db2.gz GJYWJFSOPIMPQF-GFCCVEGCSA-N 1 0 355.460 2.139 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000581070782 671860799 /nfs/dbraw/zinc/86/07/99/671860799.db2.gz BYISJLJOEDIRPK-LLVKDONJSA-N 1 0 353.806 2.076 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119393252 671898578 /nfs/dbraw/zinc/89/85/78/671898578.db2.gz NQGDZVONXXJRGD-UHFFFAOYSA-N 1 0 361.439 2.476 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000610135309 675956214 /nfs/dbraw/zinc/95/62/14/675956214.db2.gz PLMNXMXWPUCKQE-VXGBXAGGSA-N 1 0 359.423 2.227 20 5 FEBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583410606 672091755 /nfs/dbraw/zinc/09/17/55/672091755.db2.gz WXLHLBWYQLGKMA-VXGBXAGGSA-N 1 0 362.167 2.466 20 5 FEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 ZINC000583871300 672133864 /nfs/dbraw/zinc/13/38/64/672133864.db2.gz ZHHGVIZIJATSBA-GOEBONIOSA-N 1 0 351.378 2.092 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000583991869 672145367 /nfs/dbraw/zinc/14/53/67/672145367.db2.gz ANSMDVZIPWHZDD-RHSMWYFYSA-N 1 0 368.455 2.260 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000584071041 672153005 /nfs/dbraw/zinc/15/30/05/672153005.db2.gz MJCONBMCDPWOJC-INIZCTEOSA-N 1 0 355.341 2.364 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000584071042 672153158 /nfs/dbraw/zinc/15/31/58/672153158.db2.gz MJCONBMCDPWOJC-MRXNPFEDSA-N 1 0 355.341 2.364 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153771984 672204525 /nfs/dbraw/zinc/20/45/25/672204525.db2.gz VSYDDMZOVFLTPH-UHFFFAOYSA-N 1 0 368.865 2.234 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000179188305 672399544 /nfs/dbraw/zinc/39/95/44/672399544.db2.gz UQOVBFUCMBOGKH-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000589930767 672548772 /nfs/dbraw/zinc/54/87/72/672548772.db2.gz IOWVEDNXOKZCHZ-CYBMUJFWSA-N 1 0 367.471 2.398 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400456 672578854 /nfs/dbraw/zinc/57/88/54/672578854.db2.gz USAMLCQTXZVJBI-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000590590314 672593218 /nfs/dbraw/zinc/59/32/18/672593218.db2.gz DPLCPWPGVSGNIP-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+]C2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000611463014 676038779 /nfs/dbraw/zinc/03/87/79/676038779.db2.gz MEURYEXUVGSLMH-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000591297629 672666751 /nfs/dbraw/zinc/66/67/51/672666751.db2.gz NJDCWGIMEXLERK-QPUJVOFHSA-N 1 0 362.308 2.194 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591586674 672692288 /nfs/dbraw/zinc/69/22/88/672692288.db2.gz HARIRFXHBLKSTI-ZDUSSCGKSA-N 1 0 365.455 2.348 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000591667314 672699176 /nfs/dbraw/zinc/69/91/76/672699176.db2.gz KOAUIKWDPQFGFD-ZDUSSCGKSA-N 1 0 353.444 2.056 20 5 FEBDRO CC[C@H]1CCCCN1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740878 672707034 /nfs/dbraw/zinc/70/70/34/672707034.db2.gz BRLKKXPBRYROOK-DOTOQJQBSA-N 1 0 351.447 2.189 20 5 FEBDRO CC[C@@H]1CCCCN1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740881 672707207 /nfs/dbraw/zinc/70/72/07/672707207.db2.gz BRLKKXPBRYROOK-WBVHZDCISA-N 1 0 351.447 2.189 20 5 FEBDRO C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182714 672768213 /nfs/dbraw/zinc/76/82/13/672768213.db2.gz QGCRLLFZNWMLQW-GDBMZVCRSA-N 1 0 350.415 2.226 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592375399 672794004 /nfs/dbraw/zinc/79/40/04/672794004.db2.gz RNVXILXSJOQVOD-HOCLYGCPSA-N 1 0 367.471 2.310 20 5 FEBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@]1(O)CCOC1 ZINC000592396130 672797206 /nfs/dbraw/zinc/79/72/06/672797206.db2.gz HNZKITVGRGXKEP-KEYYUXOJSA-N 1 0 352.435 2.042 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592392879 672797241 /nfs/dbraw/zinc/79/72/41/672797241.db2.gz BQKBQDBUHWOLAA-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593212123 672893601 /nfs/dbraw/zinc/89/36/01/672893601.db2.gz SHTBSQOSGJVQDR-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593599387 672954849 /nfs/dbraw/zinc/95/48/49/672954849.db2.gz WIFUPHPUVGPQTR-HOTGVXAUSA-N 1 0 355.460 2.432 20 5 FEBDRO COC[C@@H](CC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593615093 672958653 /nfs/dbraw/zinc/95/86/53/672958653.db2.gz IWAFDXREFICDNS-CYBMUJFWSA-N 1 0 358.460 2.409 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000593666275 672974315 /nfs/dbraw/zinc/97/43/15/672974315.db2.gz OWDCFDSVPMGICG-UHFFFAOYSA-N 1 0 355.460 2.264 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1C ZINC000593667421 672974720 /nfs/dbraw/zinc/97/47/20/672974720.db2.gz ZEFZZVDZARAABD-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593918846 673008312 /nfs/dbraw/zinc/00/83/12/673008312.db2.gz KQGAHFVHUXSULW-BZPMIXESSA-N 1 0 353.444 2.466 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000612634395 676091269 /nfs/dbraw/zinc/09/12/69/676091269.db2.gz XHUBBHGROCJWFA-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594483699 673087015 /nfs/dbraw/zinc/08/70/15/673087015.db2.gz NZTDJNVTORWAFA-GDBMZVCRSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484742 673088367 /nfs/dbraw/zinc/08/83/67/673088367.db2.gz TVWSLQUFODHXHE-GJZGRUSLSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000725374245 673089168 /nfs/dbraw/zinc/08/91/68/673089168.db2.gz LMQFUGINLQHTRJ-AWEZNQCLSA-N 1 0 367.471 2.385 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000594544583 673096369 /nfs/dbraw/zinc/09/63/69/673096369.db2.gz APDUNIKPAAYMCR-UHFFFAOYSA-N 1 0 352.410 2.101 20 5 FEBDRO CC[N@H+](CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594797655 673146369 /nfs/dbraw/zinc/14/63/69/673146369.db2.gz XJOMWBWDXOTVED-UHFFFAOYSA-N 1 0 370.475 2.313 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594799817 673147133 /nfs/dbraw/zinc/14/71/33/673147133.db2.gz SBARVDQADIENBO-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)c1 ZINC000372005493 673150750 /nfs/dbraw/zinc/15/07/50/673150750.db2.gz AHTNINIFDBYDQV-QGZVFWFLSA-N 1 0 369.849 2.219 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000594820297 673152389 /nfs/dbraw/zinc/15/23/89/673152389.db2.gz ANHQRILQRKYDOK-VIFPVBQESA-N 1 0 369.365 2.232 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595004512 673185261 /nfs/dbraw/zinc/18/52/61/673185261.db2.gz AOTCBOVBASNNOX-SNVBAGLBSA-N 1 0 365.402 2.143 20 5 FEBDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595008806 673186040 /nfs/dbraw/zinc/18/60/40/673186040.db2.gz TVNJOILYSASZDY-PMPSAXMXSA-N 1 0 367.471 2.287 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000595051736 673189618 /nfs/dbraw/zinc/18/96/18/673189618.db2.gz WBZQCEXZBVFENG-TZMCWYRMSA-N 1 0 371.459 2.068 20 5 FEBDRO CNS(=O)(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000595485549 673257294 /nfs/dbraw/zinc/25/72/94/673257294.db2.gz VLOQEUNUHNGVTL-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO CCOC(=O)CC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595874312 673333086 /nfs/dbraw/zinc/33/30/86/673333086.db2.gz PVDQYHDDWGNDOS-UHFFFAOYSA-N 1 0 352.387 2.066 20 5 FEBDRO COCC1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCCC1 ZINC000595908123 673337636 /nfs/dbraw/zinc/33/76/36/673337636.db2.gz GDKRMSPWTDUBKG-UHFFFAOYSA-N 1 0 351.403 2.481 20 5 FEBDRO NS(=O)(=O)c1ccc(NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000596120225 673360490 /nfs/dbraw/zinc/36/04/90/673360490.db2.gz PGVRNUDILFDSCU-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c([N+](=O)[O-])s1 ZINC000596229087 673370083 /nfs/dbraw/zinc/37/00/83/673370083.db2.gz AUHQYZSLFYGOKW-YHWZYXNKSA-N 1 0 352.460 2.460 20 5 FEBDRO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596479733 673388814 /nfs/dbraw/zinc/38/88/14/673388814.db2.gz PHRPCWRUVOFXFS-GFCCVEGCSA-N 1 0 368.459 2.061 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000597941662 673521886 /nfs/dbraw/zinc/52/18/86/673521886.db2.gz CRHWEZXPVQIBBV-ZDUSSCGKSA-N 1 0 370.881 2.179 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598598616 673587752 /nfs/dbraw/zinc/58/77/52/673587752.db2.gz GNPXLKGFINRCIZ-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855288 673610495 /nfs/dbraw/zinc/61/04/95/673610495.db2.gz COWWBDOGJUDUAM-SKDRFNHKSA-N 1 0 355.341 2.409 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000543423373 673646450 /nfs/dbraw/zinc/64/64/50/673646450.db2.gz STXFDHZFKXLISE-RDBSUJKOSA-N 1 0 355.460 2.287 20 5 FEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000599302221 673655922 /nfs/dbraw/zinc/65/59/22/673655922.db2.gz AWZPTVUUYBRASA-HNNXBMFYSA-N 1 0 350.415 2.104 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626576 673699240 /nfs/dbraw/zinc/69/92/40/673699240.db2.gz RYCNZJUOGHLYOY-VZTWBHMWSA-N 1 0 351.403 2.332 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599787482 673717287 /nfs/dbraw/zinc/71/72/87/673717287.db2.gz UXJVNFNZGAPLFX-ZDUSSCGKSA-N 1 0 350.419 2.080 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000544677140 673725579 /nfs/dbraw/zinc/72/55/79/673725579.db2.gz YYMHNXZDPVYUEG-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000599916866 673727554 /nfs/dbraw/zinc/72/75/54/673727554.db2.gz GPCDURPKVGLUPL-CALCHBBNSA-N 1 0 366.849 2.432 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599965982 673730978 /nfs/dbraw/zinc/73/09/78/673730978.db2.gz JDUAJIIETCQYDS-CABZTGNLSA-N 1 0 354.204 2.133 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000599966459 673731018 /nfs/dbraw/zinc/73/10/18/673731018.db2.gz JDUAJIIETCQYDS-SKDRFNHKSA-N 1 0 354.204 2.133 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000546657043 673809433 /nfs/dbraw/zinc/80/94/33/673809433.db2.gz DRMFMMATTUHQOZ-BPUTZDHNSA-N 1 0 352.456 2.473 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779235 673817982 /nfs/dbraw/zinc/81/79/82/673817982.db2.gz ZPGIUANJCLKGRM-OKILXGFUSA-N 1 0 355.460 2.277 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000601341640 673845148 /nfs/dbraw/zinc/84/51/48/673845148.db2.gz HTEZFLJCUCPULX-KGLIPLIRSA-N 1 0 371.434 2.338 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601408060 673857278 /nfs/dbraw/zinc/85/72/78/673857278.db2.gz KKRMMXGOWVWXJP-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000601437884 673862391 /nfs/dbraw/zinc/86/23/91/673862391.db2.gz WOKRHNYNWQMYOZ-KGLIPLIRSA-N 1 0 353.419 2.386 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000746559913 673883912 /nfs/dbraw/zinc/88/39/12/673883912.db2.gz YXENASHHVNMAHE-OWCLPIDISA-N 1 0 364.471 2.475 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000746571282 673884332 /nfs/dbraw/zinc/88/43/32/673884332.db2.gz VVSWJJGFJYRYAH-AWEZNQCLSA-N 1 0 353.394 2.307 20 5 FEBDRO CN(Cc1cn(C)nc1[N+](=O)[O-])[C@H](CO)c1cccc(Br)c1 ZINC000602483555 673906659 /nfs/dbraw/zinc/90/66/59/673906659.db2.gz SEUPEDPIDWOTSQ-CYBMUJFWSA-N 1 0 369.219 2.256 20 5 FEBDRO CC1(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000602487177 673906942 /nfs/dbraw/zinc/90/69/42/673906942.db2.gz VQSDYAFMKGAEGW-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000602511805 673907028 /nfs/dbraw/zinc/90/70/28/673907028.db2.gz RHWVMRJSVRVCHX-IUODEOHRSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602509683 673907110 /nfs/dbraw/zinc/90/71/10/673907110.db2.gz HPZCCTAOBJSUEB-CJNGLKHVSA-N 1 0 351.378 2.092 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]1SC ZINC000602697365 673909677 /nfs/dbraw/zinc/90/96/77/673909677.db2.gz OTLSWCYVIQWDRH-INMHGKMJSA-N 1 0 366.487 2.457 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000602805474 673911424 /nfs/dbraw/zinc/91/14/24/673911424.db2.gz KERUERVVJBRHIR-ZDUSSCGKSA-N 1 0 358.320 2.442 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602846452 673911688 /nfs/dbraw/zinc/91/16/88/673911688.db2.gz OPTVDZMCGRLPIB-TZMCWYRMSA-N 1 0 352.435 2.399 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602888709 673912572 /nfs/dbraw/zinc/91/25/72/673912572.db2.gz AYYODEXRFVCCHW-SJORKVTESA-N 1 0 350.415 2.403 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CCO)(CCO)CC2)cc1 ZINC000602965871 673914959 /nfs/dbraw/zinc/91/49/59/673914959.db2.gz PWMGJRVDLPMXCT-UHFFFAOYSA-N 1 0 352.431 2.211 20 5 FEBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548085166 673921533 /nfs/dbraw/zinc/92/15/33/673921533.db2.gz UZTCSHQPTUHBOK-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000603386755 673928575 /nfs/dbraw/zinc/92/85/75/673928575.db2.gz YXOYDHMBOAIPFA-UHFFFAOYSA-N 1 0 359.473 2.071 20 5 FEBDRO CNc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000548188486 673931655 /nfs/dbraw/zinc/93/16/55/673931655.db2.gz HQUSRRHGOJFWHU-HOTGVXAUSA-N 1 0 364.471 2.288 20 5 FEBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818430062 675218973 /nfs/dbraw/zinc/21/89/73/675218973.db2.gz LASRFJINYDSDBF-LLVKDONJSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1c(Br)c(N[C@H](C)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000566646389 675231419 /nfs/dbraw/zinc/23/14/19/675231419.db2.gz RXTSJOWMYIUYCF-SNVBAGLBSA-N 1 0 372.267 2.109 20 5 FEBDRO Cc1cnc([C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000566792601 675243179 /nfs/dbraw/zinc/24/31/79/675243179.db2.gz GKCHIDFJFFYSRH-DGCLKSJQSA-N 1 0 351.428 2.493 20 5 FEBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000567451899 675294118 /nfs/dbraw/zinc/29/41/18/675294118.db2.gz HYXAXPNQNBXRBR-INMHGKMJSA-N 1 0 351.447 2.187 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000615698444 676224611 /nfs/dbraw/zinc/22/46/11/676224611.db2.gz DMCCMFIQNIFUSN-UHFFFAOYSA-N 1 0 359.367 2.323 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567771251 675320672 /nfs/dbraw/zinc/32/06/72/675320672.db2.gz WQIQEKIKZFHWQD-WFASDCNBSA-N 1 0 355.460 2.118 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN1C(=O)OC(C)(C)C ZINC000822463876 675486540 /nfs/dbraw/zinc/48/65/40/675486540.db2.gz JZXPJRACESBXOC-OLZOCXBDSA-N 1 0 353.423 2.169 20 5 FEBDRO CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000822606822 675495089 /nfs/dbraw/zinc/49/50/89/675495089.db2.gz USSAIDCVDDLSGG-LBPRGKRZSA-N 1 0 356.220 2.458 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000825480877 675655302 /nfs/dbraw/zinc/65/53/02/675655302.db2.gz AGADFVSELGCZKP-RYUDHWBXSA-N 1 0 350.394 2.157 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825797523 675669419 /nfs/dbraw/zinc/66/94/19/675669419.db2.gz YVPLDWZNFJCHQO-LBPRGKRZSA-N 1 0 352.410 2.404 20 5 FEBDRO CCOC(=O)Cc1ccc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825876496 675672141 /nfs/dbraw/zinc/67/21/41/675672141.db2.gz HCJNGJXZAMXWRN-HZPDHXFCSA-N 1 0 367.471 2.182 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825877767 675672460 /nfs/dbraw/zinc/67/24/60/675672460.db2.gz PEZLJHWZFFRTHU-SNVBAGLBSA-N 1 0 371.235 2.357 20 5 FEBDRO CC(C)(CCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[N+](=O)[O-] ZINC000826747286 675703184 /nfs/dbraw/zinc/70/31/84/675703184.db2.gz QCDPTFGFOGBEIF-UHFFFAOYSA-N 1 0 355.479 2.221 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1C ZINC000827660828 675771175 /nfs/dbraw/zinc/77/11/75/675771175.db2.gz BCRGUAQRJOEZOJ-OLZOCXBDSA-N 1 0 355.460 2.307 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000603424496 675799129 /nfs/dbraw/zinc/79/91/29/675799129.db2.gz YOBBMENGLVANAE-CQSZACIVSA-N 1 0 368.865 2.457 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000603630283 675800358 /nfs/dbraw/zinc/80/03/58/675800358.db2.gz GKBYEBBUSRPTTA-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000603640549 675800550 /nfs/dbraw/zinc/80/05/50/675800550.db2.gz YFXKMVVJWSVZLN-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1cc(N2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000829352378 675876995 /nfs/dbraw/zinc/87/69/95/675876995.db2.gz ITHFWIRWLKWRPY-CYBMUJFWSA-N 1 0 366.849 2.347 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000616071357 676238311 /nfs/dbraw/zinc/23/83/11/676238311.db2.gz YPUWUCFFVYWABN-GFCCVEGCSA-N 1 0 361.489 2.445 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619499150 676381867 /nfs/dbraw/zinc/38/18/67/676381867.db2.gz BGDYFMKHTMLDBE-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO C[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000839487197 680755972 /nfs/dbraw/zinc/75/59/72/680755972.db2.gz XQBBIMULCBVFTL-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)ccc1Br ZINC000839651753 680769103 /nfs/dbraw/zinc/76/91/03/680769103.db2.gz QRFPGUOMUXFFKR-YPMHNXCESA-N 1 0 359.220 2.234 20 5 FEBDRO CCO[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831723030 680032634 /nfs/dbraw/zinc/03/26/34/680032634.db2.gz CTHZCDDYZQYIIE-NSHDSACASA-N 1 0 361.801 2.013 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000832909686 680183990 /nfs/dbraw/zinc/18/39/90/680183990.db2.gz ZGUZBNXKBUGXKO-SNVBAGLBSA-N 1 0 354.382 2.151 20 5 FEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000834648463 680253212 /nfs/dbraw/zinc/25/32/12/680253212.db2.gz VFHFSBGXIJRNRX-WCQYABFASA-N 1 0 350.375 2.319 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(Cl)c1 ZINC000983655140 680318424 /nfs/dbraw/zinc/31/84/24/680318424.db2.gz QICZAANUGARFDH-XKVFNRALSA-N 1 0 351.834 2.298 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000996428827 680332350 /nfs/dbraw/zinc/33/23/50/680332350.db2.gz ILKSDJFOJAYQJF-HZPDHXFCSA-N 1 0 351.834 2.128 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000996428460 680332414 /nfs/dbraw/zinc/33/24/14/680332414.db2.gz FDLZNHBVIDZIKH-UKRRQHHQSA-N 1 0 355.797 2.225 20 5 FEBDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000754251372 680345550 /nfs/dbraw/zinc/34/55/50/680345550.db2.gz RYGXLXNXWQOIJX-MRXNPFEDSA-N 1 0 363.801 2.301 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000842721989 680962079 /nfs/dbraw/zinc/96/20/79/680962079.db2.gz NJXRKROSNQPFSM-NOZJJQNGSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000842827606 680969969 /nfs/dbraw/zinc/96/99/69/680969969.db2.gz MNZFCCIHQHOBBN-AWEZNQCLSA-N 1 0 361.851 2.225 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000842837977 680970715 /nfs/dbraw/zinc/97/07/15/680970715.db2.gz CXRMRCRDUWFWOB-LLVKDONJSA-N 1 0 361.851 2.306 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000842849582 680971102 /nfs/dbraw/zinc/97/11/02/680971102.db2.gz BIIYAVIALNRCPF-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1F ZINC000842892917 680974047 /nfs/dbraw/zinc/97/40/47/680974047.db2.gz IMYIRSUDXTUDPC-QWHCGFSZSA-N 1 0 371.434 2.053 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000769905412 680999937 /nfs/dbraw/zinc/99/99/37/680999937.db2.gz JHRBAVLEVMSMTG-JTQLQIEISA-N 1 0 361.851 2.177 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000843369066 681000234 /nfs/dbraw/zinc/00/02/34/681000234.db2.gz VQHOKVGYLFBGAB-ZKYQVNSYSA-N 1 0 352.822 2.246 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000843388407 681000842 /nfs/dbraw/zinc/00/08/42/681000842.db2.gz YAWWRCKUDGUGRQ-ZUZCIYMTSA-N 1 0 358.801 2.209 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846016374 681173568 /nfs/dbraw/zinc/17/35/68/681173568.db2.gz UPENIDUSNBMNEW-UHFFFAOYSA-N 1 0 370.837 2.281 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774357929 681181040 /nfs/dbraw/zinc/18/10/40/681181040.db2.gz VGCKCXZVDINNNA-MELADBBJSA-N 1 0 351.407 2.095 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000846234390 681207251 /nfs/dbraw/zinc/20/72/51/681207251.db2.gz FEMLVRHXCVPPSD-UHFFFAOYSA-N 1 0 361.851 2.306 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000846647254 681271605 /nfs/dbraw/zinc/27/16/05/681271605.db2.gz KSPLIEOXOQFPSD-UHFFFAOYSA-N 1 0 358.192 2.113 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846747080 681285136 /nfs/dbraw/zinc/28/51/36/681285136.db2.gz KTWAIYVXPXJRIQ-QMTHXVAHSA-N 1 0 350.375 2.401 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000932704427 681292278 /nfs/dbraw/zinc/29/22/78/681292278.db2.gz UXRWOXXILASXDR-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO CN(CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000776598530 681413467 /nfs/dbraw/zinc/41/34/67/681413467.db2.gz PUQCWOCTUSENND-HNNXBMFYSA-N 1 0 353.419 2.427 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933678173 681450174 /nfs/dbraw/zinc/45/01/74/681450174.db2.gz YOERLUVHUACELG-DOTOQJQBSA-N 1 0 350.415 2.491 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738907 681460562 /nfs/dbraw/zinc/46/05/62/681460562.db2.gz PEYMUOJKFKJRGX-BWACUDIHSA-N 1 0 366.849 2.459 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000933996621 681495097 /nfs/dbraw/zinc/49/50/97/681495097.db2.gz XQWQPDXOGRDAAP-CQSZACIVSA-N 1 0 365.821 2.172 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000848303299 681510783 /nfs/dbraw/zinc/51/07/83/681510783.db2.gz UUIUFNQFKZDZOK-UHFFFAOYSA-N 1 0 353.394 2.446 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000848591896 681585451 /nfs/dbraw/zinc/58/54/51/681585451.db2.gz ZQIBCARRFUNKHH-HNNXBMFYSA-N 1 0 355.341 2.121 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000934736428 681617913 /nfs/dbraw/zinc/61/79/13/681617913.db2.gz OJNOINHETDERFO-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO C[N@H+](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000913385228 685476117 /nfs/dbraw/zinc/47/61/17/685476117.db2.gz UDVCUILMQZLETL-JTQLQIEISA-N 1 0 361.826 2.441 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780866077 681879461 /nfs/dbraw/zinc/87/94/61/681879461.db2.gz IFKLWSMQIWSYIN-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000850830452 681965204 /nfs/dbraw/zinc/96/52/04/681965204.db2.gz IDKUYSZCTBQQJW-UHFFFAOYSA-N 1 0 350.419 2.027 20 5 FEBDRO C[NH2+]C[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000851682157 682104834 /nfs/dbraw/zinc/10/48/34/682104834.db2.gz SLIANSMQPPPVMC-VIFPVBQESA-N 1 0 371.235 2.033 20 5 FEBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609350 682159283 /nfs/dbraw/zinc/15/92/83/682159283.db2.gz WBVBFCFSCWTRAO-MRXNPFEDSA-N 1 0 368.865 2.281 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000783908730 682185749 /nfs/dbraw/zinc/18/57/49/682185749.db2.gz AHVMOLRMOZCVKI-ZBFHGGJFSA-N 1 0 366.801 2.311 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000917654433 685533529 /nfs/dbraw/zinc/53/35/29/685533529.db2.gz HBSQUDUNXVAQJH-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852345706 682264261 /nfs/dbraw/zinc/26/42/61/682264261.db2.gz VMMDXHHGGUESHQ-NTZNESFSSA-N 1 0 353.806 2.280 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3ccc(F)c(F)c3)CC2)n1 ZINC000785867090 682332883 /nfs/dbraw/zinc/33/28/83/682332883.db2.gz QAMGVTBONTXNPA-HNNXBMFYSA-N 1 0 352.341 2.440 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000854412285 682547850 /nfs/dbraw/zinc/54/78/50/682547850.db2.gz FNAMOCSSQYDPNA-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000855490926 682676129 /nfs/dbraw/zinc/67/61/29/682676129.db2.gz MFQVBVNQQSITIY-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855898237 682723356 /nfs/dbraw/zinc/72/33/56/682723356.db2.gz LMLMVDSXJLYHBT-NSHDSACASA-N 1 0 363.443 2.450 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000791198953 682727717 /nfs/dbraw/zinc/72/77/17/682727717.db2.gz GTKHWTUFZLPZJG-UHFFFAOYSA-N 1 0 352.410 2.406 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856073405 682739437 /nfs/dbraw/zinc/73/94/37/682739437.db2.gz PFIZHHQLHPDYOQ-CYBMUJFWSA-N 1 0 350.375 2.036 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CCO1 ZINC000856428440 682780832 /nfs/dbraw/zinc/78/08/32/682780832.db2.gz AYNDWTRRMWTZHQ-LLVKDONJSA-N 1 0 357.357 2.056 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000856728801 682799349 /nfs/dbraw/zinc/79/93/49/682799349.db2.gz IRNCTBZEASZWLV-OCCSQVGLSA-N 1 0 370.247 2.393 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856731447 682800171 /nfs/dbraw/zinc/80/01/71/682800171.db2.gz ZUEFSJGVQGBYLS-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000793282843 682877766 /nfs/dbraw/zinc/87/77/66/682877766.db2.gz ZOAFEFIBJMSLSW-UHFFFAOYSA-N 1 0 367.471 2.121 20 5 FEBDRO CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000857764192 682910854 /nfs/dbraw/zinc/91/08/54/682910854.db2.gz LCKYRLKRTJCNFW-QYJAPNMZSA-N 1 0 355.341 2.308 20 5 FEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766637 682911030 /nfs/dbraw/zinc/91/10/30/682911030.db2.gz SSCKQQOQEMPAJQ-GRYCIOLGSA-N 1 0 355.341 2.071 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000858252602 682949627 /nfs/dbraw/zinc/94/96/27/682949627.db2.gz MFDTWDUPNPDZSJ-ZIAGYGMSSA-N 1 0 361.851 2.198 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000858764217 682999762 /nfs/dbraw/zinc/99/97/62/682999762.db2.gz MYCAODCSYHDQFC-UHFFFAOYSA-N 1 0 350.375 2.194 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000926151471 683083412 /nfs/dbraw/zinc/08/34/12/683083412.db2.gz WFMBOFVLZDYAFC-YOEHRIQHSA-N 1 0 368.455 2.163 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000859348251 683089950 /nfs/dbraw/zinc/08/99/50/683089950.db2.gz NKROQURZWFEMIH-ZDUSSCGKSA-N 1 0 371.434 2.338 20 5 FEBDRO COc1c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000796707240 683188035 /nfs/dbraw/zinc/18/80/35/683188035.db2.gz BZHMHYAIQORVNK-CYBMUJFWSA-N 1 0 352.387 2.117 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000797604186 683261175 /nfs/dbraw/zinc/26/11/75/683261175.db2.gz ASJZPKNQIXUGPJ-AWEZNQCLSA-N 1 0 356.220 2.315 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094197 683384116 /nfs/dbraw/zinc/38/41/16/683384116.db2.gz AMAKRRMCNPEVAD-DOMZBBRYSA-N 1 0 360.439 2.386 20 5 FEBDRO O=[N+]([O-])c1cc(F)cc(F)c1OS(=O)(=O)CCC[NH+]1CCCC1 ZINC000921511276 683489001 /nfs/dbraw/zinc/48/90/01/683489001.db2.gz CZKAMVHJGLQNEB-UHFFFAOYSA-N 1 0 350.343 2.068 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000862792966 683634854 /nfs/dbraw/zinc/63/48/54/683634854.db2.gz GUBSWEMUZZDHJE-SNVBAGLBSA-N 1 0 371.235 2.214 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000863498084 683734903 /nfs/dbraw/zinc/73/49/03/683734903.db2.gz CXDDVFLKPACMGJ-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000922819020 683787706 /nfs/dbraw/zinc/78/77/06/683787706.db2.gz IGWDYWWIMDBDMZ-QGZVFWFLSA-N 1 0 352.387 2.195 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000930863548 683794021 /nfs/dbraw/zinc/79/40/21/683794021.db2.gz OUYVCLZDUXSWAR-CQSZACIVSA-N 1 0 350.419 2.396 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000922984355 683814760 /nfs/dbraw/zinc/81/47/60/683814760.db2.gz RGJIXBBZZXLHHI-UHFFFAOYSA-N 1 0 371.235 2.251 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000866863672 684170338 /nfs/dbraw/zinc/17/03/38/684170338.db2.gz RWQRKONUMXBTIT-TZMCWYRMSA-N 1 0 373.450 2.393 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893890 684175945 /nfs/dbraw/zinc/17/59/45/684175945.db2.gz UQJWCILCEUFVIT-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000866985656 684191436 /nfs/dbraw/zinc/19/14/36/684191436.db2.gz KBRRPOSEHZSREH-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000867381034 684264268 /nfs/dbraw/zinc/26/42/68/684264268.db2.gz AMVNARONPACVDF-CABCVRRESA-N 1 0 367.446 2.315 20 5 FEBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931607893 684312322 /nfs/dbraw/zinc/31/23/22/684312322.db2.gz OPLGLZSNQRJBFX-OCCSQVGLSA-N 1 0 354.407 2.435 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923731136 684341488 /nfs/dbraw/zinc/34/14/88/684341488.db2.gz KLUKZDRGAITJAS-CQSZACIVSA-N 1 0 359.835 2.155 20 5 FEBDRO Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000923909580 684366146 /nfs/dbraw/zinc/36/61/46/684366146.db2.gz HEFGXXJXQBKPLI-GDBMZVCRSA-N 1 0 364.471 2.282 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867812315 684396851 /nfs/dbraw/zinc/39/68/51/684396851.db2.gz JORMSFLECSCYMW-DGCLKSJQSA-N 1 0 373.862 2.271 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872061772 684917718 /nfs/dbraw/zinc/91/77/18/684917718.db2.gz GTTSLYQVEBKEAY-LBPRGKRZSA-N 1 0 373.450 2.446 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872061769 684917783 /nfs/dbraw/zinc/91/77/83/684917783.db2.gz GTTSLYQVEBKEAY-GFCCVEGCSA-N 1 0 373.450 2.446 20 5 FEBDRO COC(=O)c1ccc(OC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000875556064 686037716 /nfs/dbraw/zinc/03/77/16/686037716.db2.gz KCQRHNYAHQHRKM-UHFFFAOYSA-N 1 0 350.371 2.407 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CCCF)cc([N+](=O)[O-])c2)CC1 ZINC000876227377 686159337 /nfs/dbraw/zinc/15/93/37/686159337.db2.gz CJZRUNCTAOXVLN-UHFFFAOYSA-N 1 0 352.410 2.449 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CSC)cc([N+](=O)[O-])c2)CC1 ZINC000876229215 686161061 /nfs/dbraw/zinc/16/10/61/686161061.db2.gz ARFPMZIRHAPBTK-UHFFFAOYSA-N 1 0 352.460 2.063 20 5 FEBDRO CC(C)(C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877364185 686364595 /nfs/dbraw/zinc/36/45/95/686364595.db2.gz LDMIMMUYQPFWRA-ZWNOBZJWSA-N 1 0 359.348 2.468 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC000877368509 686366662 /nfs/dbraw/zinc/36/66/62/686366662.db2.gz UVVXFAMNCJOMAD-OIBJUYFYSA-N 1 0 351.712 2.457 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877396382 686371584 /nfs/dbraw/zinc/37/15/84/686371584.db2.gz WGNCNUSEDOPTHN-RDJZCZTQSA-N 1 0 365.455 2.237 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877740125 686447946 /nfs/dbraw/zinc/44/79/46/686447946.db2.gz VBNKRGVPXDOVQF-KBPBESRZSA-N 1 0 366.439 2.332 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878458702 686589354 /nfs/dbraw/zinc/58/93/54/686589354.db2.gz SPNPWMBYFIZXEZ-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@](CO)([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273604 686784581 /nfs/dbraw/zinc/78/45/81/686784581.db2.gz WRBQXNVPFZLSCS-DLBZAZTESA-N 1 0 350.415 2.120 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133974 687003970 /nfs/dbraw/zinc/00/39/70/687003970.db2.gz KJQFZGRDYTWYHA-KBPBESRZSA-N 1 0 352.822 2.355 20 5 FEBDRO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136980 687004639 /nfs/dbraw/zinc/00/46/39/687004639.db2.gz VUAXSQODBMTBBT-CVEARBPZSA-N 1 0 350.394 2.231 20 5 FEBDRO C[NH2+]C[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000883449492 687632891 /nfs/dbraw/zinc/63/28/91/687632891.db2.gz UCFOTNCSNUHSCN-CQSZACIVSA-N 1 0 350.419 2.006 20 5 FEBDRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000883458894 687634927 /nfs/dbraw/zinc/63/49/27/687634927.db2.gz ATRICXKDPBWDRW-UHFFFAOYSA-N 1 0 352.822 2.405 20 5 FEBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000884716926 687911332 /nfs/dbraw/zinc/91/13/32/687911332.db2.gz NFQLHNCXVXKCOC-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000884951545 687972414 /nfs/dbraw/zinc/97/24/14/687972414.db2.gz FUBPLRLGNDKAEF-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884953476 687973027 /nfs/dbraw/zinc/97/30/27/687973027.db2.gz ZJNODITXSJTOOC-NWDGAFQWSA-N 1 0 373.862 2.462 20 5 FEBDRO CO[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886062663 688198891 /nfs/dbraw/zinc/19/88/91/688198891.db2.gz UHSBXGFGMKUBBA-DZGCQCFKSA-N 1 0 356.444 2.306 20 5 FEBDRO C[NH+](C)CC1(O)CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000894954614 689628109 /nfs/dbraw/zinc/62/81/09/689628109.db2.gz MZCULQLYUGHUKJ-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895248744 689683812 /nfs/dbraw/zinc/68/38/12/689683812.db2.gz MYPVXAYVPOJWBY-XHDPSFHLSA-N 1 0 363.849 2.265 20 5 FEBDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000895708094 689757614 /nfs/dbraw/zinc/75/76/14/689757614.db2.gz PBDAJMCAUDIFSM-QGZVFWFLSA-N 1 0 362.407 2.433 20 5 FEBDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)O2)[C@H]1C ZINC000895819895 689775440 /nfs/dbraw/zinc/77/54/40/689775440.db2.gz LKSLTACWRFERFD-OKRBYLGOSA-N 1 0 350.419 2.057 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOC3CCSCC3)CC2)cn1 ZINC000898441848 690185258 /nfs/dbraw/zinc/18/52/58/690185258.db2.gz YJWOCTDIWYQTDG-UHFFFAOYSA-N 1 0 366.487 2.460 20 5 FEBDRO O=C(Nc1ccc(Br)cc1)N1CCC([NH2+]CC[N+](=O)[O-])CC1 ZINC000899890967 690435099 /nfs/dbraw/zinc/43/50/99/690435099.db2.gz FECNGQYKGZYGAM-UHFFFAOYSA-N 1 0 371.235 2.312 20 5 FEBDRO C[NH+](C)CCc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595697 690536301 /nfs/dbraw/zinc/53/63/01/690536301.db2.gz LRFBYTJYMJSMMB-UHFFFAOYSA-N 1 0 354.208 2.101 20 5 FEBDRO C[N@@H+]1CCC[C@](O)(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837398 690571801 /nfs/dbraw/zinc/57/18/01/690571801.db2.gz GICOIBBJOLIYRX-IRXDYDNUSA-N 1 0 365.455 2.016 20 5 FEBDRO CO[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000903309179 690880688 /nfs/dbraw/zinc/88/06/88/690880688.db2.gz CTDFCUVPPBYDMU-MLGOLLRUSA-N 1 0 353.444 2.424 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903596360 690935424 /nfs/dbraw/zinc/93/54/24/690935424.db2.gz QJDLLVZLPUAOMC-CQSZACIVSA-N 1 0 359.835 2.073 20 5 FEBDRO CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1(C[NH3+])CCOCC1 ZINC000903810151 690974915 /nfs/dbraw/zinc/97/49/15/690974915.db2.gz ZKZOFZKDRWTUOX-UHFFFAOYSA-N 1 0 358.236 2.297 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811018 720072632 /nfs/dbraw/zinc/07/26/32/720072632.db2.gz NAMFEHMGNKLUSM-LPHOPBHVSA-N 1 0 360.458 2.483 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814832 720099704 /nfs/dbraw/zinc/09/97/04/720099704.db2.gz WZSFYKJDROZJGN-RDTXWAMCSA-N 1 0 364.421 2.314 20 5 FEBDRO Cc1nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1[N+](=O)[O-] ZINC001164734371 720551143 /nfs/dbraw/zinc/55/11/43/720551143.db2.gz ZZHCWEZHAARACK-UHFFFAOYSA-N 1 0 356.430 2.153 20 5 FEBDRO Cc1c(C)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ncc1[N+](=O)[O-] ZINC001164729505 720570132 /nfs/dbraw/zinc/57/01/32/720570132.db2.gz PVCMEBPXRNAPME-UHFFFAOYSA-N 1 0 370.457 2.462 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000023673034 539718486 /nfs/dbraw/zinc/71/84/86/539718486.db2.gz IWPPIBYLJIVPKC-KBPBESRZSA-N 1 0 367.471 2.302 20 5 FEBDRO Cc1c(C(=O)NCC[NH+]2CCCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076249587 542250303 /nfs/dbraw/zinc/25/03/03/542250303.db2.gz ZBXLWVWDYXNEKE-UHFFFAOYSA-N 1 0 372.429 2.090 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2CCCC2)c([N+](=O)[O-])c1 ZINC000025504315 539760843 /nfs/dbraw/zinc/76/08/43/539760843.db2.gz FPCWQNRIBXTLOX-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000026852814 539794861 /nfs/dbraw/zinc/79/48/61/539794861.db2.gz FCNZXZPLIWREBM-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO Cc1ccccc1C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000027358849 539805552 /nfs/dbraw/zinc/80/55/52/539805552.db2.gz QADMSPIIBBZIGR-UHFFFAOYSA-N 1 0 368.437 2.320 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535760 539884533 /nfs/dbraw/zinc/88/45/33/539884533.db2.gz ZYSDEBDPBQMWEO-IUODEOHRSA-N 1 0 360.366 2.414 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000031464896 539908146 /nfs/dbraw/zinc/90/81/46/539908146.db2.gz SFZIUAAZACPYHO-UHFFFAOYSA-N 1 0 370.409 2.447 20 5 FEBDRO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000032244849 539931833 /nfs/dbraw/zinc/93/18/33/539931833.db2.gz UIEKHMSCIMADCJ-UHFFFAOYSA-N 1 0 353.419 2.461 20 5 FEBDRO CCOc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000032297022 539933308 /nfs/dbraw/zinc/93/33/08/539933308.db2.gz HXJVWKRQQWATKG-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000041823304 540035510 /nfs/dbraw/zinc/03/55/10/540035510.db2.gz UYGINODUFVXLRX-AWEZNQCLSA-N 1 0 360.414 2.163 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C[C@H](C)O1 ZINC000047587817 540319157 /nfs/dbraw/zinc/31/91/57/540319157.db2.gz LQUOMNMYVKWYTG-OKILXGFUSA-N 1 0 372.425 2.462 20 5 FEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043267 540420176 /nfs/dbraw/zinc/42/01/76/540420176.db2.gz YKSBQICWSVTXNL-CQSZACIVSA-N 1 0 362.430 2.162 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000054281580 540580367 /nfs/dbraw/zinc/58/03/67/540580367.db2.gz WTLOHYRAAPJKDM-UHFFFAOYSA-N 1 0 371.393 2.243 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990603 540563392 /nfs/dbraw/zinc/56/33/92/540563392.db2.gz XAHBPFIQBZWRBG-UHFFFAOYSA-N 1 0 355.398 2.088 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000060441843 541112480 /nfs/dbraw/zinc/11/24/80/541112480.db2.gz YXNYDUWKWSOKQO-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000060498542 541114993 /nfs/dbraw/zinc/11/49/93/541114993.db2.gz RCYXTVUAQFSFQP-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1cc(OCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000063727990 541182170 /nfs/dbraw/zinc/18/21/70/541182170.db2.gz XUQVMXYUIKHFQI-UHFFFAOYSA-N 1 0 365.430 2.315 20 5 FEBDRO CCC[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000064692040 541214868 /nfs/dbraw/zinc/21/48/68/541214868.db2.gz SCNRVPALZRERPQ-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066106095 541282567 /nfs/dbraw/zinc/28/25/67/541282567.db2.gz DKDHOFZDCWAXJY-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000066614311 541346323 /nfs/dbraw/zinc/34/63/23/541346323.db2.gz NZTYZPMOXMLUQV-OLZOCXBDSA-N 1 0 363.414 2.216 20 5 FEBDRO C[NH+]1CCN(C[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068024658 541540194 /nfs/dbraw/zinc/54/01/94/541540194.db2.gz KPMOOGNBORMBHA-GOSISDBHSA-N 1 0 368.437 2.313 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068310190 541575511 /nfs/dbraw/zinc/57/55/11/541575511.db2.gz UCYKLTBYBHFHJS-AWEZNQCLSA-N 1 0 359.430 2.173 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069072598 541653956 /nfs/dbraw/zinc/65/39/56/541653956.db2.gz WCQIVPMOVGZBKL-UHFFFAOYSA-N 1 0 364.446 2.393 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072796357 541866024 /nfs/dbraw/zinc/86/60/24/541866024.db2.gz JRMHHBLBHAOSKQ-HNNXBMFYSA-N 1 0 365.430 2.217 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000801541743 674133875 /nfs/dbraw/zinc/13/38/75/674133875.db2.gz VBUCPGMJSRNEDO-NXEZZACHSA-N 1 0 357.794 2.364 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076802251 542322897 /nfs/dbraw/zinc/32/28/97/542322897.db2.gz ZNZBFOBFUXONIF-OAHLLOKOSA-N 1 0 368.437 2.400 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247419485 549331609 /nfs/dbraw/zinc/33/16/09/549331609.db2.gz KDDJIMQZJFBVFS-UONOGXRCSA-N 1 0 353.444 2.008 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000081364231 542651409 /nfs/dbraw/zinc/65/14/09/542651409.db2.gz CTCAZSNHICQHEK-ZDUSSCGKSA-N 1 0 363.414 2.170 20 5 FEBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000089681938 542769202 /nfs/dbraw/zinc/76/92/02/542769202.db2.gz CIBAGQLKNJUDSS-MSOLQXFVSA-N 1 0 370.409 2.352 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089963369 542779395 /nfs/dbraw/zinc/77/93/95/542779395.db2.gz WDJPRCKQLRMRLC-QZTJIDSGSA-N 1 0 369.421 2.268 20 5 FEBDRO CCC(=O)N1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092186834 542847649 /nfs/dbraw/zinc/84/76/49/542847649.db2.gz GZIZUHPKZIVUHO-UHFFFAOYSA-N 1 0 371.441 2.440 20 5 FEBDRO CCC(=O)N[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092705147 542882981 /nfs/dbraw/zinc/88/29/81/542882981.db2.gz WHYSMQDCQMMTTJ-INIZCTEOSA-N 1 0 371.441 2.486 20 5 FEBDRO COc1ccc(-c2ccc(C[N@H+](CCO)CCCO)o2)c([N+](=O)[O-])c1 ZINC000093324001 542927152 /nfs/dbraw/zinc/92/71/52/542927152.db2.gz RPZFXWXKUNPZEX-UHFFFAOYSA-N 1 0 350.371 2.040 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000101569463 543034039 /nfs/dbraw/zinc/03/40/39/543034039.db2.gz WHEGMVMLKIAAIE-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000106891625 543252875 /nfs/dbraw/zinc/25/28/75/543252875.db2.gz OVNGKHHEWZZPKE-NSHDSACASA-N 1 0 357.407 2.029 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000112851479 543465160 /nfs/dbraw/zinc/46/51/60/543465160.db2.gz JTYVNBDYDPIJRF-ZBFHGGJFSA-N 1 0 374.441 2.175 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000112851486 543465289 /nfs/dbraw/zinc/46/52/89/543465289.db2.gz KAAFBOIETJKBFS-GDBMZVCRSA-N 1 0 374.441 2.175 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112922738 543469095 /nfs/dbraw/zinc/46/90/95/543469095.db2.gz MEEGAQNDVFYXPY-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO C[NH+](C)CCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000117259360 543625140 /nfs/dbraw/zinc/62/51/40/543625140.db2.gz LPEKPEFKIZLOJE-UHFFFAOYSA-N 1 0 372.425 2.383 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000117646743 543636518 /nfs/dbraw/zinc/63/65/18/543636518.db2.gz HBEPNVXWEYEHEH-UHFFFAOYSA-N 1 0 351.794 2.188 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)CCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000119646250 543669815 /nfs/dbraw/zinc/66/98/15/543669815.db2.gz PEZWSUOJULYIEG-VIFPVBQESA-N 1 0 352.309 2.405 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123754439 543781241 /nfs/dbraw/zinc/78/12/41/543781241.db2.gz WRBWJESJEUFQQP-UHFFFAOYSA-N 1 0 373.450 2.475 20 5 FEBDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000123472834 543763492 /nfs/dbraw/zinc/76/34/92/543763492.db2.gz PSACPFYJVQRQMR-LBPRGKRZSA-N 1 0 355.398 2.428 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000124407501 543819340 /nfs/dbraw/zinc/81/93/40/543819340.db2.gz OWVNHCURBOAARH-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000124667124 543836365 /nfs/dbraw/zinc/83/63/65/543836365.db2.gz CHYVQKBAHWVQJZ-SUMWQHHRSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000126187191 543922617 /nfs/dbraw/zinc/92/26/17/543922617.db2.gz VSEHDTBPTLECAM-GOSISDBHSA-N 1 0 358.442 2.118 20 5 FEBDRO O=[N+]([O-])c1cnn(CCN2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1 ZINC000127550547 544000300 /nfs/dbraw/zinc/00/03/00/544000300.db2.gz NIASDCTUBDYBGG-HNNXBMFYSA-N 1 0 368.340 2.466 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128649717 544065201 /nfs/dbraw/zinc/06/52/01/544065201.db2.gz RXHPZDYJRFUQQV-SJORKVTESA-N 1 0 369.425 2.454 20 5 FEBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000128385214 544049726 /nfs/dbraw/zinc/04/97/26/544049726.db2.gz JLAXHNOFVQMDBU-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000131796336 544207318 /nfs/dbraw/zinc/20/73/18/544207318.db2.gz WEYJTVOTZWSRGR-RHSMWYFYSA-N 1 0 371.441 2.127 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000133318135 544264587 /nfs/dbraw/zinc/26/45/87/544264587.db2.gz BBVVQEWEZLNYII-VIFPVBQESA-N 1 0 359.329 2.029 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000134677820 544317703 /nfs/dbraw/zinc/31/77/03/544317703.db2.gz KFBRGDDLVKKVLG-OAHLLOKOSA-N 1 0 372.469 2.433 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000150999840 544494435 /nfs/dbraw/zinc/49/44/35/544494435.db2.gz NFNUXNAXCCBRCG-UHFFFAOYSA-N 1 0 370.413 2.255 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814537 544475449 /nfs/dbraw/zinc/47/54/49/544475449.db2.gz YJRXBLDUPYSJJE-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000151637336 544565429 /nfs/dbraw/zinc/56/54/29/544565429.db2.gz IJPYKWBCSQBOOH-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151979307 544602291 /nfs/dbraw/zinc/60/22/91/544602291.db2.gz JYOGTDBGNYTJFE-OKILXGFUSA-N 1 0 364.446 2.256 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000152172071 544621119 /nfs/dbraw/zinc/62/11/19/544621119.db2.gz HSICFEUOECTMNN-LBPRGKRZSA-N 1 0 355.822 2.215 20 5 FEBDRO O=c1[nH]cnc2cc(N3CC[NH+](C4CCCCC4)CC3)c([N+](=O)[O-])cc12 ZINC000152437098 544652479 /nfs/dbraw/zinc/65/24/79/544652479.db2.gz VLGZPHGFCJWQFL-UHFFFAOYSA-N 1 0 357.414 2.286 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000152671821 544681893 /nfs/dbraw/zinc/68/18/93/544681893.db2.gz CPRHNWGYUAGZHP-LBPRGKRZSA-N 1 0 351.403 2.122 20 5 FEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C2CC2)c1 ZINC000153272421 544755079 /nfs/dbraw/zinc/75/50/79/544755079.db2.gz PDWUADNYYCOCRT-ROUUACIJSA-N 1 0 350.415 2.116 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000153294836 544757090 /nfs/dbraw/zinc/75/70/90/544757090.db2.gz DAPQQWSLORXHGD-QWHCGFSZSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000153689399 544809126 /nfs/dbraw/zinc/80/91/26/544809126.db2.gz VWRNAGRWHOCJAR-UHFFFAOYSA-N 1 0 363.462 2.393 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000154319549 544890248 /nfs/dbraw/zinc/89/02/48/544890248.db2.gz RUSJSGHWRONSGN-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000154321999 544891523 /nfs/dbraw/zinc/89/15/23/544891523.db2.gz WFEGZEAVHIVVIV-UHFFFAOYSA-N 1 0 372.429 2.020 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000155073989 544985155 /nfs/dbraw/zinc/98/51/55/544985155.db2.gz KEOCBNKJHLFAFG-INIZCTEOSA-N 1 0 367.471 2.279 20 5 FEBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186763465 327980873 /nfs/dbraw/zinc/98/08/73/327980873.db2.gz FQUDZSPWUUBWPG-MRXNPFEDSA-N 1 0 356.382 2.262 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000186812564 327984444 /nfs/dbraw/zinc/98/44/44/327984444.db2.gz PJEHBQWZAXLJRO-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186892341 327988734 /nfs/dbraw/zinc/98/87/34/327988734.db2.gz AUAOHHRACQMZII-NSHDSACASA-N 1 0 356.785 2.470 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000188447626 328087527 /nfs/dbraw/zinc/08/75/27/328087527.db2.gz BGJSQZORLNKFFX-UHFFFAOYSA-N 1 0 358.398 2.087 20 5 FEBDRO O=C(NCCCC[NH+]1CCCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188632883 328100110 /nfs/dbraw/zinc/10/01/10/328100110.db2.gz LNJAKCKGKPROQM-UHFFFAOYSA-N 1 0 362.430 2.243 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c1C ZINC000189132250 328130443 /nfs/dbraw/zinc/13/04/43/328130443.db2.gz QAEQAPZQWFKGHZ-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO O=C(CC[NH2+][C@H](CCO)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189586081 328156624 /nfs/dbraw/zinc/15/66/24/328156624.db2.gz XYKQKIHDJFNMJZ-CYBMUJFWSA-N 1 0 351.334 2.369 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000189867664 328172513 /nfs/dbraw/zinc/17/25/13/328172513.db2.gz VAXLUSXYDFYINE-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000189957870 328178703 /nfs/dbraw/zinc/17/87/03/328178703.db2.gz KWWFZDHTBTYJFE-LBPRGKRZSA-N 1 0 355.410 2.020 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191971708 328291116 /nfs/dbraw/zinc/29/11/16/328291116.db2.gz ONTCIAYCTFWWRS-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000192054409 328297359 /nfs/dbraw/zinc/29/73/59/328297359.db2.gz ZWYSJLWFCFYQME-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000192146423 328302541 /nfs/dbraw/zinc/30/25/41/328302541.db2.gz XWRPNHGTSQLUHF-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193037883 328353477 /nfs/dbraw/zinc/35/34/77/328353477.db2.gz VZFUEACQLPAYCN-IINYFYTJSA-N 1 0 361.851 2.434 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000193316260 328368307 /nfs/dbraw/zinc/36/83/07/328368307.db2.gz LEJLHRKEZVFRPL-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000193316628 328368375 /nfs/dbraw/zinc/36/83/75/328368375.db2.gz FCJODDQRKWYOEH-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000193383112 328371993 /nfs/dbraw/zinc/37/19/93/328371993.db2.gz XUAAZALPCCAMGF-UHFFFAOYSA-N 1 0 356.220 2.158 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000193430266 328374931 /nfs/dbraw/zinc/37/49/31/328374931.db2.gz JEMKHEJJWQJGHC-UHFFFAOYSA-N 1 0 361.423 2.239 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193641445 328386976 /nfs/dbraw/zinc/38/69/76/328386976.db2.gz HCBUEFNXHNIWCS-UTUOFQBUSA-N 1 0 352.822 2.069 20 5 FEBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000193689482 328389805 /nfs/dbraw/zinc/38/98/05/328389805.db2.gz CMHUYOGERVBHPS-OAHLLOKOSA-N 1 0 351.790 2.387 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000194938081 328447942 /nfs/dbraw/zinc/44/79/42/328447942.db2.gz WYATZCPYYBPBRB-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000022683362 324399838 /nfs/dbraw/zinc/39/98/38/324399838.db2.gz QWDVXTYMLXQKPF-QGZVFWFLSA-N 1 0 373.409 2.401 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077656839 325002487 /nfs/dbraw/zinc/00/24/87/325002487.db2.gz LYOPAFFGDYYEAE-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077656836 325002777 /nfs/dbraw/zinc/00/27/77/325002777.db2.gz LYOPAFFGDYYEAE-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO CN(CC(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000080132469 325119550 /nfs/dbraw/zinc/11/95/50/325119550.db2.gz KEWJUAHDTSBRJT-UHFFFAOYSA-N 1 0 371.441 2.016 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080504564 325134168 /nfs/dbraw/zinc/13/41/68/325134168.db2.gz BTNICGHZFWZNFF-QGZVFWFLSA-N 1 0 371.441 2.223 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000080619134 325137642 /nfs/dbraw/zinc/13/76/42/325137642.db2.gz MVSOSZMQEYQJIR-HIFRSBDPSA-N 1 0 353.444 2.014 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081031894 325155288 /nfs/dbraw/zinc/15/52/88/325155288.db2.gz YRRWYPWSIDXIOY-UHFFFAOYSA-N 1 0 365.455 2.010 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237639704 328523416 /nfs/dbraw/zinc/52/34/16/328523416.db2.gz CZUQKQGSIWKEMO-DLBZAZTESA-N 1 0 371.441 2.314 20 5 FEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088463691 325294841 /nfs/dbraw/zinc/29/48/41/325294841.db2.gz ZMRDZSYRROUEML-GOSISDBHSA-N 1 0 361.442 2.273 20 5 FEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000237859220 328531926 /nfs/dbraw/zinc/53/19/26/328531926.db2.gz CLBAJYKGPMRKDV-SNVBAGLBSA-N 1 0 361.320 2.347 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089906425 325341127 /nfs/dbraw/zinc/34/11/27/325341127.db2.gz KUALJFVJGQJZGY-INIZCTEOSA-N 1 0 360.414 2.138 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000090015514 325351509 /nfs/dbraw/zinc/35/15/09/325351509.db2.gz VPPIBSXRGQEPPY-LLVKDONJSA-N 1 0 355.441 2.285 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000090551814 325362928 /nfs/dbraw/zinc/36/29/28/325362928.db2.gz FNSSRFBNHSMLJZ-GOSISDBHSA-N 1 0 357.410 2.128 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090552777 325363212 /nfs/dbraw/zinc/36/32/12/325363212.db2.gz YELPLABMDQPSSW-UHFFFAOYSA-N 1 0 358.354 2.329 20 5 FEBDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000091069795 325372168 /nfs/dbraw/zinc/37/21/68/325372168.db2.gz SUTHEFFYWJUKQA-UHFFFAOYSA-N 1 0 365.411 2.135 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+]2CCCC2)o1 ZINC000101678676 325476957 /nfs/dbraw/zinc/47/69/57/325476957.db2.gz KPERUALHOYODFM-CQSZACIVSA-N 1 0 360.370 2.164 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107708628 325633722 /nfs/dbraw/zinc/63/37/22/325633722.db2.gz WZDWMSVQCGPNML-CQSZACIVSA-N 1 0 353.444 2.234 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000245434283 328549219 /nfs/dbraw/zinc/54/92/19/328549219.db2.gz CFHUPYKHXDWQCJ-HIFRSBDPSA-N 1 0 364.446 2.347 20 5 FEBDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000109787678 325677103 /nfs/dbraw/zinc/67/71/03/325677103.db2.gz UTMXJVPXMWKUAK-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117242202 326053357 /nfs/dbraw/zinc/05/33/57/326053357.db2.gz OPXYBXJGESBXCN-UHFFFAOYSA-N 1 0 372.425 2.383 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118843816 326107738 /nfs/dbraw/zinc/10/77/38/326107738.db2.gz FFRIUHVCHAXCSX-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000120249905 326243717 /nfs/dbraw/zinc/24/37/17/326243717.db2.gz XJXGIWMCBMYCCR-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000120252492 326243983 /nfs/dbraw/zinc/24/39/83/326243983.db2.gz HEQXCZYKEMIXGC-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120324676 326249728 /nfs/dbraw/zinc/24/97/28/326249728.db2.gz KAMWWAKGFYFWMM-INIZCTEOSA-N 1 0 369.487 2.382 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000120670152 326277375 /nfs/dbraw/zinc/27/73/75/326277375.db2.gz WVKVRQKQNUNRNU-QWRGUYRKSA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000120923043 326299187 /nfs/dbraw/zinc/29/91/87/326299187.db2.gz MPTNNNHZGMPQHD-AWEZNQCLSA-N 1 0 364.446 2.243 20 5 FEBDRO COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000121795801 326367953 /nfs/dbraw/zinc/36/79/53/326367953.db2.gz YBAJEMLMWJOELI-SKDZVZGDSA-N 1 0 360.414 2.244 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000122004233 326380220 /nfs/dbraw/zinc/38/02/20/326380220.db2.gz FFYBISXBHLHBKI-QZTJIDSGSA-N 1 0 361.442 2.021 20 5 FEBDRO Cc1c(CC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000124525412 326455620 /nfs/dbraw/zinc/45/56/20/326455620.db2.gz ADJLPZBQSDKWJB-UHFFFAOYSA-N 1 0 370.409 2.245 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000126404775 326488336 /nfs/dbraw/zinc/48/83/36/326488336.db2.gz FDIFORCQGNCJCX-UHFFFAOYSA-N 1 0 365.459 2.374 20 5 FEBDRO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130774605 326563024 /nfs/dbraw/zinc/56/30/24/326563024.db2.gz ZRBNXXXEWWYINB-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130977276 326566846 /nfs/dbraw/zinc/56/68/46/326566846.db2.gz TWVDAJPHPZWXTL-CABCVRRESA-N 1 0 358.398 2.426 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000136981981 326656859 /nfs/dbraw/zinc/65/68/59/326656859.db2.gz NZQKUYWDYVDRKE-HNNXBMFYSA-N 1 0 367.471 2.403 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160165586 326955529 /nfs/dbraw/zinc/95/55/29/326955529.db2.gz UMXCGPQQMCFILK-CQSZACIVSA-N 1 0 353.444 2.234 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000162460446 327026219 /nfs/dbraw/zinc/02/62/19/327026219.db2.gz LVWBPSYDENFEKZ-LJQANCHMSA-N 1 0 368.437 2.376 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000162797891 327035138 /nfs/dbraw/zinc/03/51/38/327035138.db2.gz PMFKFRVOWMVIHA-UHFFFAOYSA-N 1 0 364.446 2.196 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000163567327 327054268 /nfs/dbraw/zinc/05/42/68/327054268.db2.gz RUMGRZMJYQSVLX-INIZCTEOSA-N 1 0 365.478 2.282 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000170787064 327099268 /nfs/dbraw/zinc/09/92/68/327099268.db2.gz RNWIWAKIPWSLOS-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO CNC(=O)C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170906757 327106856 /nfs/dbraw/zinc/10/68/56/327106856.db2.gz NZOBTYVVRRADBN-UHFFFAOYSA-N 1 0 358.398 2.250 20 5 FEBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171050844 327114480 /nfs/dbraw/zinc/11/44/80/327114480.db2.gz INRMYENOSFPOID-ZDUSSCGKSA-N 1 0 357.414 2.096 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172245210 327189464 /nfs/dbraw/zinc/18/94/64/327189464.db2.gz RURZNZJVGJCOCG-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000173053818 327232616 /nfs/dbraw/zinc/23/26/16/327232616.db2.gz APXWFYVOGFYBBV-LLVKDONJSA-N 1 0 353.419 2.318 20 5 FEBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(C)(C)C[NH+](C)C ZINC000173057418 327232848 /nfs/dbraw/zinc/23/28/48/327232848.db2.gz LPCKPVDFRWBLNQ-CYBMUJFWSA-N 1 0 359.430 2.487 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173277697 327246175 /nfs/dbraw/zinc/24/61/75/327246175.db2.gz PZYIRHAYDQFOOP-PWSUYJOCSA-N 1 0 361.851 2.351 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173995290 327300329 /nfs/dbraw/zinc/30/03/29/327300329.db2.gz ONNNGOVUPXSXQZ-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO COc1ccc(CSCC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174022070 327302200 /nfs/dbraw/zinc/30/22/00/327302200.db2.gz XZCKCHMHUYKQDN-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000174105296 327306545 /nfs/dbraw/zinc/30/65/45/327306545.db2.gz CGRIUQYNJDCLCS-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO Nc1c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000174554070 327334666 /nfs/dbraw/zinc/33/46/66/327334666.db2.gz LIYWMZVYJHYLRO-GFCCVEGCSA-N 1 0 350.394 2.264 20 5 FEBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727957 327346539 /nfs/dbraw/zinc/34/65/39/327346539.db2.gz ZXKHPZDSDSFNAE-JSGCOSHPSA-N 1 0 370.356 2.495 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087045 327372950 /nfs/dbraw/zinc/37/29/50/327372950.db2.gz XMXQSQUUCUOSEJ-QWRGUYRKSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000175130611 327375895 /nfs/dbraw/zinc/37/58/95/327375895.db2.gz JHLKFLMAMMEMHR-ZFWWWQNUSA-N 1 0 355.460 2.172 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175149290 327376856 /nfs/dbraw/zinc/37/68/56/327376856.db2.gz SYNGDZYEKMEROM-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000175217127 327380559 /nfs/dbraw/zinc/38/05/59/327380559.db2.gz RYJYUJZRMZMUNM-MRXNPFEDSA-N 1 0 373.457 2.361 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178686185 327600448 /nfs/dbraw/zinc/60/04/48/327600448.db2.gz IMVKHQOORBXYGE-BBRMVZONSA-N 1 0 357.414 2.483 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262762933 328887474 /nfs/dbraw/zinc/88/74/74/328887474.db2.gz ANHJBOLCABLTAV-AAEUAGOBSA-N 1 0 353.444 2.093 20 5 FEBDRO O=[N+]([O-])c1c(NCC2([NH+]3CCCC3)CCOCC2)nc2sccn21 ZINC000264305196 329008843 /nfs/dbraw/zinc/00/88/43/329008843.db2.gz RZRJRHMBWATKKI-UHFFFAOYSA-N 1 0 351.432 2.361 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264683159 329048018 /nfs/dbraw/zinc/04/80/18/329048018.db2.gz VLWMHRPHNJOAPS-SNVBAGLBSA-N 1 0 363.386 2.122 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C)CC1 ZINC000264944250 329077037 /nfs/dbraw/zinc/07/70/37/329077037.db2.gz WPURFSAOFNKQTH-INIZCTEOSA-N 1 0 374.441 2.343 20 5 FEBDRO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000264945445 329077189 /nfs/dbraw/zinc/07/71/89/329077189.db2.gz JKMMGYHLINOZTM-KGLIPLIRSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1nn(C)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)c1[N+](=O)[O-] ZINC000265488455 329132248 /nfs/dbraw/zinc/13/22/48/329132248.db2.gz VHIMWUYCKFCWJU-LLVKDONJSA-N 1 0 365.463 2.427 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000265628002 329144446 /nfs/dbraw/zinc/14/44/46/329144446.db2.gz RYFANYBDNWLZPF-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO CC(C)(C(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265840556 329165693 /nfs/dbraw/zinc/16/56/93/329165693.db2.gz VNADLPALCNFITH-UHFFFAOYSA-N 1 0 374.485 2.112 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920579 329172800 /nfs/dbraw/zinc/17/28/00/329172800.db2.gz CAQIJLIYKIAPRA-DGCLKSJQSA-N 1 0 351.403 2.167 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266207071 329200624 /nfs/dbraw/zinc/20/06/24/329200624.db2.gz LLBZIFDJWSQSQM-CYBMUJFWSA-N 1 0 355.460 2.166 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864747 329266947 /nfs/dbraw/zinc/26/69/47/329266947.db2.gz LXMMODGKLJRKJC-SWLSCSKDSA-N 1 0 360.366 2.414 20 5 FEBDRO C[NH+](C)[C@@]1(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CCSC1 ZINC000267101013 329291844 /nfs/dbraw/zinc/29/18/44/329291844.db2.gz OWRLMWCLPDNFGP-QGZVFWFLSA-N 1 0 364.471 2.336 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267853156 329363218 /nfs/dbraw/zinc/36/32/18/329363218.db2.gz NOYBBQMGYWAUOR-CABCVRRESA-N 1 0 362.430 2.372 20 5 FEBDRO CNC(=O)c1ccc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912095 329367721 /nfs/dbraw/zinc/36/77/21/329367721.db2.gz GHMMLNFOJFFKMC-OKILXGFUSA-N 1 0 364.446 2.256 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000268011366 329376483 /nfs/dbraw/zinc/37/64/83/329376483.db2.gz USYPVTYVHUSLCQ-INIZCTEOSA-N 1 0 362.430 2.023 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000269470729 329523298 /nfs/dbraw/zinc/52/32/98/329523298.db2.gz YSRIEDPSDBLSQR-QGZVFWFLSA-N 1 0 369.425 2.311 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270648817 329618397 /nfs/dbraw/zinc/61/83/97/329618397.db2.gz LIKWDQWFXTUCDP-JRPNMDOOSA-N 1 0 354.838 2.457 20 5 FEBDRO CCOC(=O)CCCNC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271806103 329727041 /nfs/dbraw/zinc/72/70/41/329727041.db2.gz QIFAFLCZCYPMAH-OAHLLOKOSA-N 1 0 351.403 2.095 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)n1 ZINC000272114656 329753310 /nfs/dbraw/zinc/75/33/10/329753310.db2.gz OJZFOAGRZIXYGW-UHFFFAOYSA-N 1 0 372.429 2.111 20 5 FEBDRO COc1cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272340899 329771874 /nfs/dbraw/zinc/77/18/74/329771874.db2.gz YQFWOJHWWFDVGD-WCQYABFASA-N 1 0 371.384 2.431 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000273950581 329904949 /nfs/dbraw/zinc/90/49/49/329904949.db2.gz STRCXEXGMDOPBA-UHFFFAOYSA-N 1 0 372.385 2.138 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000275471318 330052540 /nfs/dbraw/zinc/05/25/40/330052540.db2.gz IKXXKBXTXSWCQN-LLVKDONJSA-N 1 0 354.382 2.043 20 5 FEBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827038 330093572 /nfs/dbraw/zinc/09/35/72/330093572.db2.gz SUVPNAWIVGXCFQ-XJKSGUPXSA-N 1 0 355.822 2.397 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217311 330231520 /nfs/dbraw/zinc/23/15/20/330231520.db2.gz LVXWBBMKWJGRME-OLMNPRSZSA-N 1 0 358.442 2.259 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000369332047 330240724 /nfs/dbraw/zinc/24/07/24/330240724.db2.gz SCOQBFAJACMODY-KSSFIOAISA-N 1 0 367.413 2.162 20 5 FEBDRO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786741 330251578 /nfs/dbraw/zinc/25/15/78/330251578.db2.gz FKYDSGAAOKOQLG-NVXWUHKLSA-N 1 0 363.414 2.464 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C[NH+]2CCCCC2)c1F ZINC000411385345 330256703 /nfs/dbraw/zinc/25/67/03/330256703.db2.gz KDSVYLUQGGCHAZ-LBPRGKRZSA-N 1 0 353.394 2.276 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000555413002 674359952 /nfs/dbraw/zinc/35/99/52/674359952.db2.gz BFBHCUOBDFNYOG-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155480058 545531239 /nfs/dbraw/zinc/53/12/39/545531239.db2.gz QWZRTPXDVKDNKI-DYVFJYSZSA-N 1 0 363.414 2.433 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156356459 545620754 /nfs/dbraw/zinc/62/07/54/545620754.db2.gz PLWPXUDVFQXNEG-OAHLLOKOSA-N 1 0 362.430 2.032 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477961504 561157162 /nfs/dbraw/zinc/15/71/62/561157162.db2.gz FCDNBZMYGUVQLT-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO CN(CCn1ccc([N+](=O)[O-])n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000478037951 561158726 /nfs/dbraw/zinc/15/87/26/561158726.db2.gz TYKOTBLZTQTSPZ-KRWDZBQOSA-N 1 0 358.377 2.385 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158773101 545893574 /nfs/dbraw/zinc/89/35/74/545893574.db2.gz KTUXRFDSSKHZJM-LJQANCHMSA-N 1 0 358.442 2.411 20 5 FEBDRO CNc1c(C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)cccc1[N+](=O)[O-] ZINC000478445126 561167074 /nfs/dbraw/zinc/16/70/74/561167074.db2.gz HCXFXNYBXRAKKP-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000478463855 561167571 /nfs/dbraw/zinc/16/75/71/561167571.db2.gz PTWIUAFXLWUGLI-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000160198646 546017060 /nfs/dbraw/zinc/01/70/60/546017060.db2.gz ZIFHHFWILYTBBI-OAHLLOKOSA-N 1 0 363.458 2.469 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000161099344 546099906 /nfs/dbraw/zinc/09/99/06/546099906.db2.gz HKBBIEOQJKWIDY-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000161386543 546125888 /nfs/dbraw/zinc/12/58/88/546125888.db2.gz WKMXKZKNIRULEC-KRWDZBQOSA-N 1 0 374.416 2.435 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000162734828 546141340 /nfs/dbraw/zinc/14/13/40/546141340.db2.gz PMCAVUOVOJCLJO-NXEZZACHSA-N 1 0 372.219 2.310 20 5 FEBDRO Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000173103996 546273012 /nfs/dbraw/zinc/27/30/12/546273012.db2.gz CTWJTWQOUVLJCZ-UHFFFAOYSA-N 1 0 356.382 2.316 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000479600886 561193110 /nfs/dbraw/zinc/19/31/10/561193110.db2.gz MUVLFHFJGPPSJV-FNORWQNLSA-N 1 0 358.398 2.062 20 5 FEBDRO C[C@H](CN1CCOCC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176228763 546422212 /nfs/dbraw/zinc/42/22/12/546422212.db2.gz RBSQKFWKRBQXLU-QGZVFWFLSA-N 1 0 373.457 2.014 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000176622322 546468057 /nfs/dbraw/zinc/46/80/57/546468057.db2.gz CLJRQAARDXVBHL-UHFFFAOYSA-N 1 0 372.429 2.060 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)nc1 ZINC000177199391 546568277 /nfs/dbraw/zinc/56/82/77/546568277.db2.gz VDQMYDHQRUKQIR-OAHLLOKOSA-N 1 0 365.397 2.257 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177307829 546590582 /nfs/dbraw/zinc/59/05/82/546590582.db2.gz AKWBPHCXLBIMBP-HIFRSBDPSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1csc([N+](=O)[O-])c1 ZINC000178132670 546743447 /nfs/dbraw/zinc/74/34/47/546743447.db2.gz JIQZTURSFHBOHJ-ZIAGYGMSSA-N 1 0 353.444 2.154 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178686145 546833309 /nfs/dbraw/zinc/83/33/09/546833309.db2.gz IMVKHQOORBXYGE-CZUORRHYSA-N 1 0 357.414 2.483 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000178730359 546840288 /nfs/dbraw/zinc/84/02/88/546840288.db2.gz DEYNORYCFAAXEN-GFCCVEGCSA-N 1 0 354.370 2.430 20 5 FEBDRO COc1cc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000481703672 561239058 /nfs/dbraw/zinc/23/90/58/561239058.db2.gz LNHPFGIJPAKFAC-MRXNPFEDSA-N 1 0 358.394 2.401 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179449216 546955183 /nfs/dbraw/zinc/95/51/83/546955183.db2.gz JXKPAPVZRBOKIF-UHFFFAOYSA-N 1 0 363.439 2.477 20 5 FEBDRO COc1cc(C)c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000179619132 546986899 /nfs/dbraw/zinc/98/68/99/546986899.db2.gz XUMTYDGEGQTPEQ-CYBMUJFWSA-N 1 0 361.398 2.433 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000179643731 546990620 /nfs/dbraw/zinc/99/06/20/546990620.db2.gz YGWGDBSBYQSYPS-GDBMZVCRSA-N 1 0 363.458 2.437 20 5 FEBDRO NC(=O)c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000180046518 547042970 /nfs/dbraw/zinc/04/29/70/547042970.db2.gz OZRKGQXGMIEQIW-UHFFFAOYSA-N 1 0 355.398 2.417 20 5 FEBDRO O=C(NCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000180221191 547068789 /nfs/dbraw/zinc/06/87/89/547068789.db2.gz XULRVWKEAMTIPD-SFHVURJKSA-N 1 0 365.393 2.427 20 5 FEBDRO Nc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000180295172 547080351 /nfs/dbraw/zinc/08/03/51/547080351.db2.gz CNMQCQGWPRJOTE-UHFFFAOYSA-N 1 0 373.388 2.358 20 5 FEBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482645618 561257488 /nfs/dbraw/zinc/25/74/88/561257488.db2.gz XEDBYJPFNXGASN-INIZCTEOSA-N 1 0 369.487 2.177 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000180899386 547205108 /nfs/dbraw/zinc/20/51/08/547205108.db2.gz UOWDTCIHXHWAPS-UHFFFAOYSA-N 1 0 357.366 2.185 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cn2)CC1 ZINC000181259005 547280971 /nfs/dbraw/zinc/28/09/71/547280971.db2.gz MCKHRLLUFMHGFP-UHFFFAOYSA-N 1 0 371.397 2.297 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181424876 547312955 /nfs/dbraw/zinc/31/29/55/547312955.db2.gz HUVUHOBDDVFFHP-BBRMVZONSA-N 1 0 365.430 2.415 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2ccn3ccnc3c2)s1 ZINC000181530572 547329345 /nfs/dbraw/zinc/32/93/45/547329345.db2.gz GXHVRYWGVONNSI-UHFFFAOYSA-N 1 0 352.397 2.320 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000181825977 547386583 /nfs/dbraw/zinc/38/65/83/547386583.db2.gz YYJFSKSQANAWKE-LBPRGKRZSA-N 1 0 360.370 2.173 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000181937079 547408572 /nfs/dbraw/zinc/40/85/72/547408572.db2.gz AZUDJRSGMLEJJK-BBWFWOEESA-N 1 0 363.458 2.282 20 5 FEBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996509 547419408 /nfs/dbraw/zinc/41/94/08/547419408.db2.gz OZTXVFWGJZYEPW-CQSZACIVSA-N 1 0 353.806 2.458 20 5 FEBDRO C[C@@H](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182234004 547458227 /nfs/dbraw/zinc/45/82/27/547458227.db2.gz AGZGJVLHOULGEF-AWEZNQCLSA-N 1 0 363.414 2.167 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367083 547480253 /nfs/dbraw/zinc/48/02/53/547480253.db2.gz SGWWRGLCQVPLET-XJKSGUPXSA-N 1 0 351.403 2.479 20 5 FEBDRO CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000183463877 547665117 /nfs/dbraw/zinc/66/51/17/547665117.db2.gz KBGADVULYCLOFS-BQFCYCMXSA-N 1 0 361.442 2.141 20 5 FEBDRO C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000183525740 547675575 /nfs/dbraw/zinc/67/55/75/547675575.db2.gz WLZVOSRCSBUUIY-CYBMUJFWSA-N 1 0 367.421 2.143 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000183573354 547683245 /nfs/dbraw/zinc/68/32/45/547683245.db2.gz HPLSUXYIBAPODK-HNNXBMFYSA-N 1 0 369.487 2.177 20 5 FEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183592495 547686021 /nfs/dbraw/zinc/68/60/21/547686021.db2.gz KCFUXWHOESJILT-UHFFFAOYSA-N 1 0 357.414 2.342 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000183633253 547693567 /nfs/dbraw/zinc/69/35/67/547693567.db2.gz XCDWSPSIAJWYSP-ZIAGYGMSSA-N 1 0 365.434 2.248 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184588700 547850397 /nfs/dbraw/zinc/85/03/97/547850397.db2.gz VTAOPZMHWGNWLL-OAHLLOKOSA-N 1 0 355.460 2.231 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1SC ZINC000185028779 547919112 /nfs/dbraw/zinc/91/91/12/547919112.db2.gz CAZZXQNGENWTIU-WCQGTBRESA-N 1 0 351.428 2.135 20 5 FEBDRO C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158701 547943608 /nfs/dbraw/zinc/94/36/08/547943608.db2.gz KAPMFRAAHZZARG-HIFRSBDPSA-N 1 0 367.421 2.407 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000185344892 547973581 /nfs/dbraw/zinc/97/35/81/547973581.db2.gz RWFARACNUKXBQS-UHFFFAOYSA-N 1 0 373.450 2.441 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000185440241 547985670 /nfs/dbraw/zinc/98/56/70/547985670.db2.gz ACAXRMYHNNERAJ-CYBMUJFWSA-N 1 0 363.414 2.376 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185599847 548007056 /nfs/dbraw/zinc/00/70/56/548007056.db2.gz VCSSGSADSCAMPF-LBPRGKRZSA-N 1 0 366.443 2.152 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000485858294 561330208 /nfs/dbraw/zinc/33/02/08/561330208.db2.gz MRVUKCCUBYVYOY-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000186524422 548147805 /nfs/dbraw/zinc/14/78/05/548147805.db2.gz XZOKOUAFGBHOQJ-JTQLQIEISA-N 1 0 352.309 2.405 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186769656 548188633 /nfs/dbraw/zinc/18/86/33/548188633.db2.gz JHCUSAJITHJQKY-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186932446 548222367 /nfs/dbraw/zinc/22/23/67/548222367.db2.gz UEMGSZKEFCYCKA-UHFFFAOYSA-N 1 0 358.398 2.466 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000193210198 548382699 /nfs/dbraw/zinc/38/26/99/548382699.db2.gz KXRBHECZIWPGCW-HNNXBMFYSA-N 1 0 355.460 2.384 20 5 FEBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194441667 548482576 /nfs/dbraw/zinc/48/25/76/548482576.db2.gz KRXOJSCJMOOAPP-AWEZNQCLSA-N 1 0 363.439 2.266 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000227537449 548752124 /nfs/dbraw/zinc/75/21/24/548752124.db2.gz HOXQGZRYBXRNLX-NXEZZACHSA-N 1 0 357.208 2.027 20 5 FEBDRO Cn1cc(CNc2cnn(CC[NH+](C)C)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237004780 548793457 /nfs/dbraw/zinc/79/34/57/548793457.db2.gz LVYDIBONKXUKTK-UHFFFAOYSA-N 1 0 369.429 2.366 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237073918 548798116 /nfs/dbraw/zinc/79/81/16/548798116.db2.gz JFIASHYHLZQLJE-UHFFFAOYSA-N 1 0 357.414 2.067 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000237207600 548809017 /nfs/dbraw/zinc/80/90/17/548809017.db2.gz BHKRQPABZAZOIF-NSHDSACASA-N 1 0 361.851 2.177 20 5 FEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000237935492 548866304 /nfs/dbraw/zinc/86/63/04/548866304.db2.gz KGMFUZBLELPDSU-ZDUSSCGKSA-N 1 0 361.851 2.434 20 5 FEBDRO [NH3+]CC1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000238034314 548873874 /nfs/dbraw/zinc/87/38/74/548873874.db2.gz SWTGQWMBHZNWRZ-UHFFFAOYSA-N 1 0 361.320 2.347 20 5 FEBDRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245467436 548928408 /nfs/dbraw/zinc/92/84/08/548928408.db2.gz ZMASOWQBIFZISJ-HUUCEWRRSA-N 1 0 365.430 2.215 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245869061 549006170 /nfs/dbraw/zinc/00/61/70/549006170.db2.gz GPWUFZHDHALEOS-HOCLYGCPSA-N 1 0 369.487 2.129 20 5 FEBDRO CCC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000245930627 549022254 /nfs/dbraw/zinc/02/22/54/549022254.db2.gz PFINSQCGGXGBSM-QZTJIDSGSA-N 1 0 351.447 2.061 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000246028500 549039044 /nfs/dbraw/zinc/03/90/44/549039044.db2.gz AAKBMMJSKXQFMR-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246164068 549067842 /nfs/dbraw/zinc/06/78/42/549067842.db2.gz OJOGLGULLPDYFY-KBPBESRZSA-N 1 0 364.446 2.204 20 5 FEBDRO CCNC(=O)C1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000488471011 561390442 /nfs/dbraw/zinc/39/04/42/561390442.db2.gz CEQUBYAQDRBDPA-CYBMUJFWSA-N 1 0 362.430 2.208 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246693338 549189611 /nfs/dbraw/zinc/18/96/11/549189611.db2.gz YYQBTQJRTRWEFV-ZFWWWQNUSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248393198 549427005 /nfs/dbraw/zinc/42/70/05/549427005.db2.gz GKTXUDVWWLXEBG-ZLKJLUDKSA-N 1 0 359.386 2.340 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248859680 549515668 /nfs/dbraw/zinc/51/56/68/549515668.db2.gz SDHSGHFQWPWMNP-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1c(NC(=O)CCN2CC[NH2+]C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000261629628 549736412 /nfs/dbraw/zinc/73/64/12/549736412.db2.gz DTGOCKOBNORMET-GOSISDBHSA-N 1 0 369.425 2.273 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261687695 549743562 /nfs/dbraw/zinc/74/35/62/549743562.db2.gz DUBXXWJOCQCOKV-UHFFFAOYSA-N 1 0 356.426 2.345 20 5 FEBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000262029333 549782177 /nfs/dbraw/zinc/78/21/77/549782177.db2.gz NVRXXNAFUCWSFQ-VIFPVBQESA-N 1 0 368.242 2.274 20 5 FEBDRO COC(=O)c1cc(NCCN2CCC([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268517310 550080213 /nfs/dbraw/zinc/08/02/13/550080213.db2.gz YTJTXHVSEXFVDP-UHFFFAOYSA-N 1 0 364.446 2.128 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269238092 550171035 /nfs/dbraw/zinc/17/10/35/550171035.db2.gz XMOLCLBJKRJWTE-WPRPVWTQSA-N 1 0 359.329 2.014 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269652853 550214179 /nfs/dbraw/zinc/21/41/79/550214179.db2.gz GYIOCPHRUBKEBH-SFHVURJKSA-N 1 0 355.394 2.392 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1=O ZINC000270232799 550255379 /nfs/dbraw/zinc/25/53/79/550255379.db2.gz OBQGSWFNCDMHFT-UHFFFAOYSA-N 1 0 372.425 2.234 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000270835145 550312032 /nfs/dbraw/zinc/31/20/32/550312032.db2.gz DECCIQUXFMSZPW-UHFFFAOYSA-N 1 0 366.487 2.287 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859339 550314870 /nfs/dbraw/zinc/31/48/70/550314870.db2.gz ZORJQXFFFDTDLJ-INIZCTEOSA-N 1 0 371.441 2.313 20 5 FEBDRO CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271114841 550341864 /nfs/dbraw/zinc/34/18/64/550341864.db2.gz QNRVDCCDFFKNIG-GHMZBOCLSA-N 1 0 361.265 2.234 20 5 FEBDRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486020 550452699 /nfs/dbraw/zinc/45/26/99/550452699.db2.gz RMEKRDNZRBGWET-UKRRQHHQSA-N 1 0 355.398 2.085 20 5 FEBDRO CCOC(=O)CC[N@@H+](Cc1cccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274146571 550524965 /nfs/dbraw/zinc/52/49/65/550524965.db2.gz HTDDKORWWLFUGF-GOSISDBHSA-N 1 0 373.409 2.479 20 5 FEBDRO COc1cc(C(=O)N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000274573782 550544664 /nfs/dbraw/zinc/54/46/64/550544664.db2.gz MWHGWMZQUMFZAN-UHFFFAOYSA-N 1 0 373.356 2.371 20 5 FEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274619859 550546523 /nfs/dbraw/zinc/54/65/23/550546523.db2.gz FLHIMOMFGNHXLF-HNNXBMFYSA-N 1 0 359.430 2.215 20 5 FEBDRO Cc1nnc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000274799821 550555329 /nfs/dbraw/zinc/55/53/29/550555329.db2.gz DYWSQLCALKBQAP-UHFFFAOYSA-N 1 0 373.442 2.343 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000276692176 550586066 /nfs/dbraw/zinc/58/60/66/550586066.db2.gz MVMYGNMDAATDLU-UHFFFAOYSA-N 1 0 359.423 2.230 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC2=CC[N@H+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277249360 550647656 /nfs/dbraw/zinc/64/76/56/550647656.db2.gz PSLRBTFDOJLBPO-UHFFFAOYSA-N 1 0 362.386 2.073 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000277253129 550647934 /nfs/dbraw/zinc/64/79/34/550647934.db2.gz KOOJRSFLCFSAHU-HNNXBMFYSA-N 1 0 363.414 2.328 20 5 FEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277490383 550677112 /nfs/dbraw/zinc/67/71/12/550677112.db2.gz NSZNMWAGBBOYDA-JGVFFNPUSA-N 1 0 360.183 2.319 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000277601503 550690176 /nfs/dbraw/zinc/69/01/76/550690176.db2.gz ORVVUGJBCNOGAU-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO COc1cc(CNCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701419 550703696 /nfs/dbraw/zinc/70/36/96/550703696.db2.gz IBJILPPEYITTIE-CQSZACIVSA-N 1 0 367.446 2.203 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733776 550708009 /nfs/dbraw/zinc/70/80/09/550708009.db2.gz OHJFJZVUQFIQLR-STQMWFEESA-N 1 0 374.445 2.391 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277739172 550708400 /nfs/dbraw/zinc/70/84/00/550708400.db2.gz YBOODGWFHHNMTC-OIBJUYFYSA-N 1 0 360.183 2.224 20 5 FEBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278045236 550742629 /nfs/dbraw/zinc/74/26/29/550742629.db2.gz LKOWUSIJLRLCJW-UKRRQHHQSA-N 1 0 370.409 2.336 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000278513171 550794014 /nfs/dbraw/zinc/79/40/14/550794014.db2.gz PBCTYXOXVVRLJR-OAHLLOKOSA-N 1 0 361.442 2.239 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000278559658 550798888 /nfs/dbraw/zinc/79/88/88/550798888.db2.gz QISGUAXVRIYUMR-UHFFFAOYSA-N 1 0 370.409 2.453 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000278632090 550806153 /nfs/dbraw/zinc/80/61/53/550806153.db2.gz OGTYKEJZQQXTJH-GHMZBOCLSA-N 1 0 356.810 2.167 20 5 FEBDRO O=C1C[C@@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000278915038 550835408 /nfs/dbraw/zinc/83/54/08/550835408.db2.gz QUWXSEPRUUIRPF-SFHVURJKSA-N 1 0 356.382 2.004 20 5 FEBDRO CNC(=O)CN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279204820 550864604 /nfs/dbraw/zinc/86/46/04/550864604.db2.gz XOIMTNNZMGUXIM-QGZVFWFLSA-N 1 0 360.458 2.117 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000495471499 561488632 /nfs/dbraw/zinc/48/86/32/561488632.db2.gz YJLVLJNERPWBDK-OIISXLGYSA-N 1 0 352.431 2.063 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Br)cn1 ZINC000280289661 550976914 /nfs/dbraw/zinc/97/69/14/550976914.db2.gz FBOWPCWIFMIXBV-JTQLQIEISA-N 1 0 367.203 2.265 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280337148 550982456 /nfs/dbraw/zinc/98/24/56/550982456.db2.gz HNJCKNCIHNATEP-KSSFIOAISA-N 1 0 363.414 2.112 20 5 FEBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC ZINC000281191485 551072475 /nfs/dbraw/zinc/07/24/75/551072475.db2.gz BSYVVUCPERMFFX-NSHDSACASA-N 1 0 355.366 2.336 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281540825 551110938 /nfs/dbraw/zinc/11/09/38/551110938.db2.gz KIPBHXLCBBDTGU-OAHLLOKOSA-N 1 0 367.446 2.145 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000281684908 551130424 /nfs/dbraw/zinc/13/04/24/551130424.db2.gz FPLFISINVJJSBD-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000281883036 551152550 /nfs/dbraw/zinc/15/25/50/551152550.db2.gz AJXHIZNEIKCGMW-RHSMWYFYSA-N 1 0 350.415 2.273 20 5 FEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000282803426 551272174 /nfs/dbraw/zinc/27/21/74/551272174.db2.gz QWELMBAGUCEXJS-AEDCBLDQSA-N 1 0 363.414 2.361 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1[N+](=O)[O-] ZINC000282965899 551290810 /nfs/dbraw/zinc/29/08/10/551290810.db2.gz YSCGHVIWLYOXFM-YOEHRIQHSA-N 1 0 350.415 2.261 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801934 561509199 /nfs/dbraw/zinc/50/91/99/561509199.db2.gz DZUDCVXMJGIVTM-NVXWUHKLSA-N 1 0 365.393 2.299 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000284112805 551486088 /nfs/dbraw/zinc/48/60/88/551486088.db2.gz UKBPJDNFXROZCD-GFCCVEGCSA-N 1 0 350.394 2.407 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765343 551627699 /nfs/dbraw/zinc/62/76/99/551627699.db2.gz MOGDCHLMKNSEMO-PMACEKPBSA-N 1 0 355.438 2.487 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285578440 551777582 /nfs/dbraw/zinc/77/75/82/551777582.db2.gz OFEPLZYPBCZZMA-RHSMWYFYSA-N 1 0 358.442 2.043 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000286381828 551881362 /nfs/dbraw/zinc/88/13/62/551881362.db2.gz NFDOGYYKUGHBQX-UHFFFAOYSA-N 1 0 355.410 2.298 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000287219946 551977819 /nfs/dbraw/zinc/97/78/19/551977819.db2.gz QFCRIOUFYYJUDZ-WFASDCNBSA-N 1 0 351.378 2.198 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275298 551984082 /nfs/dbraw/zinc/98/40/82/551984082.db2.gz SMHOVQVXXRMKKK-GDBMZVCRSA-N 1 0 369.425 2.479 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccncc1OCCC[NH+](C)C ZINC000288127791 552096339 /nfs/dbraw/zinc/09/63/39/552096339.db2.gz DLEWWIFORCWIEO-UHFFFAOYSA-N 1 0 362.434 2.457 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000499828964 561559451 /nfs/dbraw/zinc/55/94/51/561559451.db2.gz NNVBVNPYDXDEDT-LLVKDONJSA-N 1 0 364.402 2.248 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000288631095 552188583 /nfs/dbraw/zinc/18/85/83/552188583.db2.gz BAGUBMVRRXHPTE-UHFFFAOYSA-N 1 0 372.425 2.179 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000289350282 552305651 /nfs/dbraw/zinc/30/56/51/552305651.db2.gz JBRIIVKGHBOKCZ-AWEZNQCLSA-N 1 0 355.460 2.007 20 5 FEBDRO CC[C@@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289402012 552315391 /nfs/dbraw/zinc/31/53/91/552315391.db2.gz AKJOJDHBRUSWKL-GFCCVEGCSA-N 1 0 364.183 2.450 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000289855068 552389617 /nfs/dbraw/zinc/38/96/17/552389617.db2.gz QSDZGRGGRGRMRY-UHFFFAOYSA-N 1 0 350.419 2.390 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289868880 552392195 /nfs/dbraw/zinc/39/21/95/552392195.db2.gz RDVXWFQENNUMSN-RRQGHBQHSA-N 1 0 350.415 2.224 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000289903489 552396912 /nfs/dbraw/zinc/39/69/12/552396912.db2.gz UQQHDYYGWHSPEC-UHFFFAOYSA-N 1 0 363.462 2.305 20 5 FEBDRO CCc1ccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000289974455 552408413 /nfs/dbraw/zinc/40/84/13/552408413.db2.gz CKVZJAVANGICJW-UHFFFAOYSA-N 1 0 350.463 2.113 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290179458 552438907 /nfs/dbraw/zinc/43/89/07/552438907.db2.gz PMCWOCDRGUIEKJ-MRXNPFEDSA-N 1 0 369.425 2.242 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290190266 552440744 /nfs/dbraw/zinc/44/07/44/552440744.db2.gz QHGGCKXYXNFWHY-BDAKNGLRSA-N 1 0 372.194 2.178 20 5 FEBDRO NC(=O)c1ccnc(NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000290578442 552501775 /nfs/dbraw/zinc/50/17/75/552501775.db2.gz VJVDFMDDAXBFNX-UHFFFAOYSA-N 1 0 369.425 2.208 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808868 552542047 /nfs/dbraw/zinc/54/20/47/552542047.db2.gz QXUROIIBLIMMFF-CJNGLKHVSA-N 1 0 369.425 2.411 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000501159653 561591677 /nfs/dbraw/zinc/59/16/77/561591677.db2.gz YFKIAFVXGZYNKX-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1C ZINC000501164643 561591722 /nfs/dbraw/zinc/59/17/22/561591722.db2.gz PIPWJQNXLHKORU-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO COC(=O)c1cn(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])nn1 ZINC000291455167 552626218 /nfs/dbraw/zinc/62/62/18/552626218.db2.gz CSNMJHJKYRIAIH-UHFFFAOYSA-N 1 0 374.184 2.070 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292703291 552750911 /nfs/dbraw/zinc/75/09/11/552750911.db2.gz DLVLENLVLZFJFO-INIZCTEOSA-N 1 0 371.434 2.149 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@H](O)C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000292782321 552757961 /nfs/dbraw/zinc/75/79/61/552757961.db2.gz QARUJRDRQIOKQW-OAHLLOKOSA-N 1 0 351.378 2.442 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292878658 552767879 /nfs/dbraw/zinc/76/78/79/552767879.db2.gz FCHDFYOCBPYKJR-UHFFFAOYSA-N 1 0 352.435 2.097 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293568146 552836085 /nfs/dbraw/zinc/83/60/85/552836085.db2.gz XWFSVQJSNIVKHP-RNCFNFMXSA-N 1 0 354.204 2.181 20 5 FEBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000293955849 552870674 /nfs/dbraw/zinc/87/06/74/552870674.db2.gz PDTGRSKRVPQILZ-UHFFFAOYSA-N 1 0 363.414 2.362 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000293970327 552871968 /nfs/dbraw/zinc/87/19/68/552871968.db2.gz UOPQTYVKYIPJGL-LJQANCHMSA-N 1 0 358.442 2.363 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294823093 552936888 /nfs/dbraw/zinc/93/68/88/552936888.db2.gz CUHDSOPNCYGSHK-CYBMUJFWSA-N 1 0 357.414 2.399 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)c1ccccc1Br ZINC000295364708 552994976 /nfs/dbraw/zinc/99/49/76/552994976.db2.gz PFFAJIKXUKNTJO-AWEZNQCLSA-N 1 0 369.219 2.219 20 5 FEBDRO CN(C)C(=O)O[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295743821 553053079 /nfs/dbraw/zinc/05/30/79/553053079.db2.gz WSRUZQRLOUPRHP-ZDUSSCGKSA-N 1 0 364.402 2.086 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000296220518 553124694 /nfs/dbraw/zinc/12/46/94/553124694.db2.gz MSXKLSXJIWSCKZ-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000502740202 561624320 /nfs/dbraw/zinc/62/43/20/561624320.db2.gz UPGBNQQMSWAEEY-JKSUJKDBSA-N 1 0 358.398 2.011 20 5 FEBDRO Cc1cc(F)c(NC(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000296644955 553192370 /nfs/dbraw/zinc/19/23/70/553192370.db2.gz DRWFYTKBGOOZDM-UHFFFAOYSA-N 1 0 355.414 2.047 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297525512 553304382 /nfs/dbraw/zinc/30/43/82/553304382.db2.gz HWHBKKCQMKPLNL-GJZGRUSLSA-N 1 0 362.430 2.020 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000297768943 553336684 /nfs/dbraw/zinc/33/66/84/553336684.db2.gz LWEMOEKDNCUAMO-BXUZGUMPSA-N 1 0 351.378 2.299 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000298098713 553383625 /nfs/dbraw/zinc/38/36/25/553383625.db2.gz LFQVLAWBLCNLBN-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H]1C[C@]1([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382531 561640324 /nfs/dbraw/zinc/64/03/24/561640324.db2.gz IMKPTDPHNKTRII-XFBWCDHKSA-N 1 0 350.806 2.331 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000503424072 561641054 /nfs/dbraw/zinc/64/10/54/561641054.db2.gz FJIBUMIEGSSMCU-CABCVRRESA-N 1 0 369.487 2.320 20 5 FEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1CCc2sccc2C1 ZINC000298297895 553409392 /nfs/dbraw/zinc/40/93/92/553409392.db2.gz LASZLTOOWPKPQD-SNVBAGLBSA-N 1 0 361.427 2.009 20 5 FEBDRO Cc1c(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000298393239 553419983 /nfs/dbraw/zinc/41/99/83/553419983.db2.gz MDTSMBHPLVOEJR-QGZVFWFLSA-N 1 0 363.462 2.297 20 5 FEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298507016 553433856 /nfs/dbraw/zinc/43/38/56/553433856.db2.gz KLQARWFTZHPCJB-QGZVFWFLSA-N 1 0 351.403 2.169 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000298892253 553485701 /nfs/dbraw/zinc/48/57/01/553485701.db2.gz LKCRGVINPZLAQI-ZWKOTPCHSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000298909098 553488144 /nfs/dbraw/zinc/48/81/44/553488144.db2.gz NADIMBYTPYFCKJ-HNNXBMFYSA-N 1 0 353.419 2.319 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000299343027 553550691 /nfs/dbraw/zinc/55/06/91/553550691.db2.gz OVMFOOOKWYCTPD-ACJLOTCBSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)COc2ccc([N+](=O)[O-])cc2)o1 ZINC000504010865 561651917 /nfs/dbraw/zinc/65/19/17/561651917.db2.gz QBVGRKBFFSKXHO-UHFFFAOYSA-N 1 0 361.398 2.465 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CCO)c1ccco1 ZINC000299410999 553559707 /nfs/dbraw/zinc/55/97/07/553559707.db2.gz SYJRZOJKTWZLNV-CYBMUJFWSA-N 1 0 363.370 2.238 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000299536154 553577785 /nfs/dbraw/zinc/57/77/85/553577785.db2.gz SOCLWWRCJKBSAX-MRXNPFEDSA-N 1 0 359.430 2.217 20 5 FEBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC000504207321 561654450 /nfs/dbraw/zinc/65/44/50/561654450.db2.gz GZRXGJNFPBNHMH-UHFFFAOYSA-N 1 0 372.429 2.111 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000299598344 553586635 /nfs/dbraw/zinc/58/66/35/553586635.db2.gz GXQOAURDDXIFQO-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000299730187 553608951 /nfs/dbraw/zinc/60/89/51/553608951.db2.gz WQYGJMGVWAPHSQ-UONOGXRCSA-N 1 0 362.430 2.091 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300127803 553617448 /nfs/dbraw/zinc/61/74/48/553617448.db2.gz HOXQGZRYBXRNLX-UWVGGRQHSA-N 1 0 357.208 2.027 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000504657383 561660800 /nfs/dbraw/zinc/66/08/00/561660800.db2.gz DRRICPIWLPBXNU-LJQANCHMSA-N 1 0 371.437 2.151 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301475832 553654151 /nfs/dbraw/zinc/65/41/51/553654151.db2.gz NXSHMVXPAQEBKG-AWEZNQCLSA-N 1 0 363.805 2.457 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C)n3)cn2)CC1 ZINC000301637877 553667587 /nfs/dbraw/zinc/66/75/87/553667587.db2.gz LHNNBLMJWJOESW-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO C[NH+](C)C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCOCC1 ZINC000301673806 553670840 /nfs/dbraw/zinc/67/08/40/553670840.db2.gz GMNKMYUWBOROLV-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301960663 553694627 /nfs/dbraw/zinc/69/46/27/553694627.db2.gz MLDVETANRPFFOK-AWEZNQCLSA-N 1 0 366.849 2.475 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302113798 553704949 /nfs/dbraw/zinc/70/49/49/553704949.db2.gz BRVHRWSLCJAGQC-GFCCVEGCSA-N 1 0 370.475 2.165 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cn2)CC1 ZINC000302860495 553737121 /nfs/dbraw/zinc/73/71/21/553737121.db2.gz UQCZNCZAYHROQF-UHFFFAOYSA-N 1 0 368.441 2.322 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000312610996 553756370 /nfs/dbraw/zinc/75/63/70/553756370.db2.gz GTXJHRZHCOXKNT-OAHLLOKOSA-N 1 0 369.425 2.214 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000326570121 553781666 /nfs/dbraw/zinc/78/16/66/553781666.db2.gz VXFBPCSFPNQXOB-STQMWFEESA-N 1 0 357.407 2.029 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506452225 561699232 /nfs/dbraw/zinc/69/92/32/561699232.db2.gz OAOKRMJJOHWHBE-CYBMUJFWSA-N 1 0 357.414 2.480 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994083 561713437 /nfs/dbraw/zinc/71/34/37/561713437.db2.gz DWGSFDNSMFPAQV-TZMCWYRMSA-N 1 0 355.398 2.336 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000330422674 554119578 /nfs/dbraw/zinc/11/95/78/554119578.db2.gz SJEVUJKRSJKHGC-CQSZACIVSA-N 1 0 355.460 2.304 20 5 FEBDRO CCOc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000331129149 554218000 /nfs/dbraw/zinc/21/80/00/554218000.db2.gz INVDSCFPLKQNLU-HNNXBMFYSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331222108 554232987 /nfs/dbraw/zinc/23/29/87/554232987.db2.gz CKLZLFGMYGWDLH-GFCCVEGCSA-N 1 0 359.423 2.193 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000332075359 554374822 /nfs/dbraw/zinc/37/48/22/554374822.db2.gz FRDRMJHSQMRGEF-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332186608 554396678 /nfs/dbraw/zinc/39/66/78/554396678.db2.gz VXEOXMMFZDHIPJ-ZDUSSCGKSA-N 1 0 363.414 2.074 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332206993 554401372 /nfs/dbraw/zinc/40/13/72/554401372.db2.gz FECNJJFHGXSKAY-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253160 554410322 /nfs/dbraw/zinc/41/03/22/554410322.db2.gz MILHXGSESGUVKZ-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000332562100 554471851 /nfs/dbraw/zinc/47/18/51/554471851.db2.gz XEQUJCZWTKNXAR-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[C@H]1O ZINC000511602938 561874224 /nfs/dbraw/zinc/87/42/24/561874224.db2.gz DPGULEPZMPWPGR-CHWSQXEVSA-N 1 0 372.219 2.141 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1cccs1 ZINC000361390545 554920458 /nfs/dbraw/zinc/92/04/58/554920458.db2.gz GVEOTMPGYCIAAA-YGRLFVJLSA-N 1 0 362.411 2.180 20 5 FEBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337124 554964962 /nfs/dbraw/zinc/96/49/62/554964962.db2.gz SRTJGQJKQHNCKI-SWLSCSKDSA-N 1 0 361.450 2.119 20 5 FEBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000363170461 555045005 /nfs/dbraw/zinc/04/50/05/555045005.db2.gz IIPWIEHYTDRELV-ZDUSSCGKSA-N 1 0 368.397 2.443 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363272600 555068629 /nfs/dbraw/zinc/06/86/29/555068629.db2.gz GYRVDTDQPFSSGV-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1ccccc1[N+](=O)[O-] ZINC000363532948 555130478 /nfs/dbraw/zinc/13/04/78/555130478.db2.gz FVDCSKOFAMSDPK-UHFFFAOYSA-N 1 0 372.473 2.068 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000512083913 561891490 /nfs/dbraw/zinc/89/14/90/561891490.db2.gz STHCTIFHYPHWQQ-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1=CC[N@H+](C)CC1 ZINC000512142834 561893868 /nfs/dbraw/zinc/89/38/68/561893868.db2.gz OEXFLUOOVNGJON-CYBMUJFWSA-N 1 0 370.409 2.288 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427816 555312148 /nfs/dbraw/zinc/31/21/48/555312148.db2.gz SAVGPPMHWONYPW-XNRPHZJLSA-N 1 0 365.405 2.353 20 5 FEBDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593334 555347706 /nfs/dbraw/zinc/34/77/06/555347706.db2.gz YMXADXWWIKBGDV-HOTGVXAUSA-N 1 0 373.409 2.191 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653933 555364172 /nfs/dbraw/zinc/36/41/72/555364172.db2.gz WFPXIWUJQIKYEQ-BXUZGUMPSA-N 1 0 363.443 2.121 20 5 FEBDRO CC(=O)c1ccc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000364664212 555367283 /nfs/dbraw/zinc/36/72/83/555367283.db2.gz UZLOTZGHLVVSSH-INIZCTEOSA-N 1 0 360.458 2.261 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512851097 561917809 /nfs/dbraw/zinc/91/78/09/561917809.db2.gz MNIJGXZZISWQQM-CABCVRRESA-N 1 0 355.460 2.101 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000365048968 555473147 /nfs/dbraw/zinc/47/31/47/555473147.db2.gz XGAFCKYUPNHYSV-JKSUJKDBSA-N 1 0 350.415 2.083 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365059370 555475876 /nfs/dbraw/zinc/47/58/76/555475876.db2.gz XBGPEHCCCUJQAZ-CABCVRRESA-N 1 0 373.862 2.449 20 5 FEBDRO Cn1nccc1[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163021 555499155 /nfs/dbraw/zinc/49/91/55/555499155.db2.gz NBLOSKRXFXPBPB-RDTXWAMCSA-N 1 0 369.425 2.313 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365207161 555511164 /nfs/dbraw/zinc/51/11/64/555511164.db2.gz KNUDSVLLHYSFSA-CQSZACIVSA-N 1 0 366.487 2.064 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000365340357 555548441 /nfs/dbraw/zinc/54/84/41/555548441.db2.gz AXNQYNVDVZLGLP-LLVKDONJSA-N 1 0 369.368 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000365403411 555566220 /nfs/dbraw/zinc/56/62/20/555566220.db2.gz GEESJHBKTBKPHX-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365550001 555606672 /nfs/dbraw/zinc/60/66/72/555606672.db2.gz SNKBPUVQYFMSOF-KYJSFNMBSA-N 1 0 358.442 2.258 20 5 FEBDRO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000365834288 555678795 /nfs/dbraw/zinc/67/87/95/555678795.db2.gz GPTUWKDBPJOSBP-QGZVFWFLSA-N 1 0 363.462 2.294 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000366200882 555779709 /nfs/dbraw/zinc/77/97/09/555779709.db2.gz KBLOUMPFFXGWJV-HFTRVMKXSA-N 1 0 352.394 2.365 20 5 FEBDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388814 555830638 /nfs/dbraw/zinc/83/06/38/555830638.db2.gz LLKQFWASGNFVQD-BDJLRTHQSA-N 1 0 366.805 2.058 20 5 FEBDRO CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366567398 555878038 /nfs/dbraw/zinc/87/80/38/555878038.db2.gz CQUUFOUFSDCCMG-KBXCAEBGSA-N 1 0 366.414 2.252 20 5 FEBDRO COC(=O)[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000366669835 555903993 /nfs/dbraw/zinc/90/39/93/555903993.db2.gz PGKCRZMMADEVBW-ZDUSSCGKSA-N 1 0 360.370 2.276 20 5 FEBDRO C[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366672666 555905056 /nfs/dbraw/zinc/90/50/56/555905056.db2.gz FBZQYCJSTZUNIV-ZDUSSCGKSA-N 1 0 367.421 2.143 20 5 FEBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366733730 555920902 /nfs/dbraw/zinc/92/09/02/555920902.db2.gz BSNKKXCKYDEGAJ-IBGZPJMESA-N 1 0 363.458 2.203 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000367642066 556103452 /nfs/dbraw/zinc/10/34/52/556103452.db2.gz GSAZRSSMWSCIDJ-QAPCUYQASA-N 1 0 370.409 2.061 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651925 556105563 /nfs/dbraw/zinc/10/55/63/556105563.db2.gz YDEAFMHIPPKOAK-WMLDXEAASA-N 1 0 369.425 2.479 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000367793923 556141073 /nfs/dbraw/zinc/14/10/73/556141073.db2.gz PZRQLVFYQYEQFD-CVEARBPZSA-N 1 0 358.442 2.022 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000368540890 556339582 /nfs/dbraw/zinc/33/95/82/556339582.db2.gz VOVJXFNMBXAIKH-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ncccc1Cl ZINC000515415123 562009825 /nfs/dbraw/zinc/00/98/25/562009825.db2.gz QEBHAYXSFWICJC-GFCCVEGCSA-N 1 0 367.789 2.052 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000368989721 556469051 /nfs/dbraw/zinc/46/90/51/556469051.db2.gz KDZUOBVZGZRALV-HIFRSBDPSA-N 1 0 357.414 2.218 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000369079170 556499302 /nfs/dbraw/zinc/49/93/02/556499302.db2.gz RTWLYGVYNYMSLD-HZPDHXFCSA-N 1 0 353.444 2.104 20 5 FEBDRO COC(=O)c1ccccc1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369494849 556611294 /nfs/dbraw/zinc/61/12/94/556611294.db2.gz VEQVISNGQSULGK-UHFFFAOYSA-N 1 0 358.398 2.458 20 5 FEBDRO CC(C)[NH+](CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000370091017 556778122 /nfs/dbraw/zinc/77/81/22/556778122.db2.gz AEYNKCZOAFANBF-UHFFFAOYSA-N 1 0 366.466 2.257 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000370198404 556808166 /nfs/dbraw/zinc/80/81/66/556808166.db2.gz SDELRRWILXLKEA-INIZCTEOSA-N 1 0 371.441 2.074 20 5 FEBDRO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352411 556847701 /nfs/dbraw/zinc/84/77/01/556847701.db2.gz YSPKKLVLEFDESM-HUUCEWRRSA-N 1 0 360.414 2.246 20 5 FEBDRO CC[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000516761494 562056728 /nfs/dbraw/zinc/05/67/28/562056728.db2.gz GTLCEGUBBWNXLQ-ZIAGYGMSSA-N 1 0 368.821 2.253 20 5 FEBDRO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000516794142 562058239 /nfs/dbraw/zinc/05/82/39/562058239.db2.gz UDHWSGVCLLQBDC-UHFFFAOYSA-N 1 0 364.446 2.335 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000370827196 556981303 /nfs/dbraw/zinc/98/13/03/556981303.db2.gz QSWUTXNORWKDHM-RLCCDNCMSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000517029952 562072439 /nfs/dbraw/zinc/07/24/39/562072439.db2.gz KDRGIAQXLSPTBT-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000371277063 557128614 /nfs/dbraw/zinc/12/86/14/557128614.db2.gz DSJSOYSGYKJOED-SFHVURJKSA-N 1 0 365.393 2.058 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000371281769 557130025 /nfs/dbraw/zinc/13/00/25/557130025.db2.gz DOSOJFSDIJYJNN-FOLVSLTJSA-N 1 0 369.425 2.131 20 5 FEBDRO CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284768 557131294 /nfs/dbraw/zinc/13/12/94/557131294.db2.gz UTMBYGBYNAOSHG-OAHLLOKOSA-N 1 0 359.430 2.241 20 5 FEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336588 557151787 /nfs/dbraw/zinc/15/17/87/557151787.db2.gz RVHVUXYQHNIRAE-WBVHZDCISA-N 1 0 360.414 2.295 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371506307 557203468 /nfs/dbraw/zinc/20/34/68/557203468.db2.gz QHVKGBMMCGUNMZ-RISCZKNCSA-N 1 0 373.862 2.271 20 5 FEBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000371755964 557284648 /nfs/dbraw/zinc/28/46/48/557284648.db2.gz RIXUONMTRVPOPM-UHFFFAOYSA-N 1 0 361.442 2.239 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000371963728 557341093 /nfs/dbraw/zinc/34/10/93/557341093.db2.gz XBWOCNGXKKAFCY-CYBMUJFWSA-N 1 0 353.854 2.248 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286409 557430167 /nfs/dbraw/zinc/43/01/67/557430167.db2.gz ANZXENKUPKBPQE-FUHWJXTLSA-N 1 0 374.441 2.485 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372313761 557437026 /nfs/dbraw/zinc/43/70/26/557437026.db2.gz RVAIOAKWVQVNDY-RHSMWYFYSA-N 1 0 361.446 2.085 20 5 FEBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000372387499 557456843 /nfs/dbraw/zinc/45/68/43/557456843.db2.gz QOGRWLWHBDRKSH-XAYKYTGQSA-N 1 0 357.414 2.199 20 5 FEBDRO C[N@H+](CCNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000372803498 557565370 /nfs/dbraw/zinc/56/53/70/557565370.db2.gz PGFZPQULOOTEJL-OAHLLOKOSA-N 1 0 364.450 2.012 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000373081715 557624325 /nfs/dbraw/zinc/62/43/25/557624325.db2.gz SGSRVDHOSSMQBL-KBXCAEBGSA-N 1 0 371.441 2.450 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000519822795 562145491 /nfs/dbraw/zinc/14/54/91/562145491.db2.gz KTBWZCQFGNTQBN-DLBZAZTESA-N 1 0 355.394 2.479 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000519900682 562147484 /nfs/dbraw/zinc/14/74/84/562147484.db2.gz DTUWFZVJRPEKFY-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO COc1cc(CN2CC[NH+]([C@H]3CCSC3)CC2)c([N+](=O)[O-])cc1F ZINC000373322224 557671929 /nfs/dbraw/zinc/67/19/29/557671929.db2.gz AQBQRZMOIHZBLR-ZDUSSCGKSA-N 1 0 355.435 2.366 20 5 FEBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000373528458 557711550 /nfs/dbraw/zinc/71/15/50/557711550.db2.gz IFAOFSAJJVJCCY-AWEZNQCLSA-N 1 0 350.438 2.334 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(F)cc3)C2)c1 ZINC000373585156 557723402 /nfs/dbraw/zinc/72/34/02/557723402.db2.gz NCPZIGSZYOTGEA-ZBFHGGJFSA-N 1 0 364.377 2.007 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000373762471 557753873 /nfs/dbraw/zinc/75/38/73/557753873.db2.gz XAYHHVBONZEGDH-DOTOQJQBSA-N 1 0 360.414 2.425 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000374092056 557821998 /nfs/dbraw/zinc/82/19/98/557821998.db2.gz CFHAHEUMONFKQG-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](c2ccccc2)C1 ZINC000374315863 557864085 /nfs/dbraw/zinc/86/40/85/557864085.db2.gz ZTSHPEASARICOT-WBVHZDCISA-N 1 0 373.384 2.327 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374319343 557864931 /nfs/dbraw/zinc/86/49/31/557864931.db2.gz XQBGOMLWAGOAKR-HZPDHXFCSA-N 1 0 355.394 2.188 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374433330 557883499 /nfs/dbraw/zinc/88/34/99/557883499.db2.gz AOYHVMYBUBVWOZ-CABCVRRESA-N 1 0 356.382 2.279 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1OC ZINC000374437133 557883910 /nfs/dbraw/zinc/88/39/10/557883910.db2.gz MHQZLLXIQYLLOH-LBPRGKRZSA-N 1 0 374.397 2.424 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000374852602 557941226 /nfs/dbraw/zinc/94/12/26/557941226.db2.gz CQPRMLMXGVKMBP-GFCCVEGCSA-N 1 0 350.394 2.407 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010348 557963856 /nfs/dbraw/zinc/96/38/56/557963856.db2.gz APZYLWIHIHNSGP-XYJFISCASA-N 1 0 364.442 2.473 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375032743 557967341 /nfs/dbraw/zinc/96/73/41/557967341.db2.gz SVHYDYILPMEYNI-XHDPSFHLSA-N 1 0 352.822 2.213 20 5 FEBDRO O=C(C[N@@H+]1CCCC2(CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375887422 558093827 /nfs/dbraw/zinc/09/38/27/558093827.db2.gz BTOZPVRIXDUHFJ-UHFFFAOYSA-N 1 0 359.426 2.377 20 5 FEBDRO CN(C)c1noc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000375892561 558095125 /nfs/dbraw/zinc/09/51/25/558095125.db2.gz QMSDMKBVMAQRBD-UHFFFAOYSA-N 1 0 361.402 2.302 20 5 FEBDRO COc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000521870723 562185284 /nfs/dbraw/zinc/18/52/84/562185284.db2.gz JHNDMHJSTDMEIK-KRWDZBQOSA-N 1 0 370.409 2.371 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000377149216 558276577 /nfs/dbraw/zinc/27/65/77/558276577.db2.gz KMYOJVLHWIRRDU-QGZVFWFLSA-N 1 0 360.458 2.404 20 5 FEBDRO CC(C)(C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000522476216 562199070 /nfs/dbraw/zinc/19/90/70/562199070.db2.gz ZVPNZGROBLASAE-UHFFFAOYSA-N 1 0 371.441 2.261 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000522596502 562200116 /nfs/dbraw/zinc/20/01/16/562200116.db2.gz HAMPMQIUTHRVOX-UHFFFAOYSA-N 1 0 351.451 2.131 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377750304 558411073 /nfs/dbraw/zinc/41/10/73/558411073.db2.gz MGJRIAODVLHRTR-HNNXBMFYSA-N 1 0 369.425 2.242 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760043 558413686 /nfs/dbraw/zinc/41/36/86/558413686.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 1 0 355.442 2.245 20 5 FEBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378073177 558475020 /nfs/dbraw/zinc/47/50/20/558475020.db2.gz FRYMABGIXKFSIT-IBGZPJMESA-N 1 0 374.485 2.154 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378230556 558506934 /nfs/dbraw/zinc/50/69/34/558506934.db2.gz QNBREUXEVHUQMF-GDBMZVCRSA-N 1 0 367.471 2.310 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378236339 558508302 /nfs/dbraw/zinc/50/83/02/558508302.db2.gz XNVWOOGMGSUWKQ-LRDDRELGSA-N 1 0 370.409 2.453 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000523480590 562213828 /nfs/dbraw/zinc/21/38/28/562213828.db2.gz ZBRDCBKPQIZANS-HNNXBMFYSA-N 1 0 350.419 2.085 20 5 FEBDRO CN(C(=O)[C@H]1CC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000378510522 558572484 /nfs/dbraw/zinc/57/24/84/558572484.db2.gz WYRQWJXRKDMXBG-QZTJIDSGSA-N 1 0 373.453 2.351 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@H](c3ccco3)C2)cc1 ZINC000378648773 558600344 /nfs/dbraw/zinc/60/03/44/558600344.db2.gz JEBSDKYRPCALDX-ZDUSSCGKSA-N 1 0 350.396 2.451 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000408448473 558678110 /nfs/dbraw/zinc/67/81/10/558678110.db2.gz VLRGRSGVZLGUHA-MPTYRVRUSA-N 1 0 350.419 2.203 20 5 FEBDRO C[C@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000409647645 558710795 /nfs/dbraw/zinc/71/07/95/558710795.db2.gz CKFPYOLVSKBGDK-GXTWGEPZSA-N 1 0 370.475 2.035 20 5 FEBDRO COc1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945429 562238028 /nfs/dbraw/zinc/23/80/28/562238028.db2.gz VJJZRYWSAUYPJK-FQEVSTJZSA-N 1 0 371.437 2.330 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105000 562240608 /nfs/dbraw/zinc/24/06/08/562240608.db2.gz VCHAPVNQXXSJQC-NWDGAFQWSA-N 1 0 351.403 2.215 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525255443 562244182 /nfs/dbraw/zinc/24/41/82/562244182.db2.gz IRGCSVAAIMAJFB-OAHLLOKOSA-N 1 0 350.419 2.099 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411317743 558875427 /nfs/dbraw/zinc/87/54/27/558875427.db2.gz PDBWZGFXSCDUDD-XJKSGUPXSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH+]2CCCCCC2)c1F ZINC000411397234 558887444 /nfs/dbraw/zinc/88/74/44/558887444.db2.gz YQEXUWCJPFZHFI-UHFFFAOYSA-N 1 0 353.394 2.277 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000411484172 558902633 /nfs/dbraw/zinc/90/26/33/558902633.db2.gz OPWNPXOJFVQLIJ-HNNXBMFYSA-N 1 0 362.430 2.078 20 5 FEBDRO Cn1cccc1[C@@H]1COCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548969 558915023 /nfs/dbraw/zinc/91/50/23/558915023.db2.gz GIMHAJVUVGQQBQ-KRWDZBQOSA-N 1 0 358.398 2.335 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000411715109 558949569 /nfs/dbraw/zinc/94/95/69/558949569.db2.gz AXHVMRXMTCJFTN-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411844995 558975074 /nfs/dbraw/zinc/97/50/74/558975074.db2.gz KFABOPAPFNMQGY-KRWDZBQOSA-N 1 0 363.414 2.433 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412026499 559003636 /nfs/dbraw/zinc/00/36/36/559003636.db2.gz SPXRJXXGGFCVOY-LBPRGKRZSA-N 1 0 351.403 2.479 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000412054953 559007267 /nfs/dbraw/zinc/00/72/67/559007267.db2.gz JXRWIDFYIZDXMN-MRXNPFEDSA-N 1 0 374.441 2.400 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412067656 559009278 /nfs/dbraw/zinc/00/92/78/559009278.db2.gz DWGYNTNCCLMNKV-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412100072 559013454 /nfs/dbraw/zinc/01/34/54/559013454.db2.gz XDSXHAUBJFCUMX-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413535773 559114849 /nfs/dbraw/zinc/11/48/49/559114849.db2.gz UPNHKZMAOTWRQR-AWEZNQCLSA-N 1 0 354.410 2.404 20 5 FEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000413939915 559141836 /nfs/dbraw/zinc/14/18/36/559141836.db2.gz QPVIHYROEQGAPN-UHFFFAOYSA-N 1 0 374.397 2.378 20 5 FEBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000414119315 559149814 /nfs/dbraw/zinc/14/98/14/559149814.db2.gz CVNFFCZZXXAUNL-GOSISDBHSA-N 1 0 371.437 2.249 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414730815 559182879 /nfs/dbraw/zinc/18/28/79/559182879.db2.gz AYLSBOAYRGFSEP-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO COc1cc(CN[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948773 559196561 /nfs/dbraw/zinc/19/65/61/559196561.db2.gz ZBGSQBCJORMJQV-CMPLNLGQSA-N 1 0 359.373 2.335 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000415097431 559205046 /nfs/dbraw/zinc/20/50/46/559205046.db2.gz SGWKMEMRABWJKZ-UHFFFAOYSA-N 1 0 368.393 2.183 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000415372574 559228368 /nfs/dbraw/zinc/22/83/68/559228368.db2.gz RQDHFCZLFKZOKF-UHFFFAOYSA-N 1 0 362.430 2.217 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000415425629 559234950 /nfs/dbraw/zinc/23/49/50/559234950.db2.gz LJRVZPASJCYGIM-CQSZACIVSA-N 1 0 368.821 2.211 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)c([N+](=O)[O-])c1 ZINC000415599112 559254100 /nfs/dbraw/zinc/25/41/00/559254100.db2.gz MAXXBPGZIFOOJN-LLVKDONJSA-N 1 0 364.402 2.281 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415606276 559254771 /nfs/dbraw/zinc/25/47/71/559254771.db2.gz YKBUMDJNIKMRMC-LBPRGKRZSA-N 1 0 364.402 2.201 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415705360 559263862 /nfs/dbraw/zinc/26/38/62/559263862.db2.gz TXLKEZDNKSZUKG-SECBINFHSA-N 1 0 357.208 2.431 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415828435 559275980 /nfs/dbraw/zinc/27/59/80/559275980.db2.gz HVQMYVGCXRDMQO-INIZCTEOSA-N 1 0 370.409 2.438 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000415837917 559276830 /nfs/dbraw/zinc/27/68/30/559276830.db2.gz ZKGFHPYGQPOLET-INIZCTEOSA-N 1 0 370.409 2.438 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415851849 559278709 /nfs/dbraw/zinc/27/87/09/559278709.db2.gz ZOXYMMNFGNBVNS-MRXNPFEDSA-N 1 0 370.409 2.220 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000415865428 559279781 /nfs/dbraw/zinc/27/97/81/559279781.db2.gz IRYNPFYIIWMUCC-UHFFFAOYSA-N 1 0 362.430 2.089 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416665349 559328462 /nfs/dbraw/zinc/32/84/62/559328462.db2.gz UXCROTNSTCGUTE-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325277 559357811 /nfs/dbraw/zinc/35/78/11/559357811.db2.gz BOZOPNGKBYDCFK-XJKSGUPXSA-N 1 0 355.460 2.280 20 5 FEBDRO CCCN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000417715582 559373723 /nfs/dbraw/zinc/37/37/23/559373723.db2.gz KDRFFNNYZBVIIE-OAHLLOKOSA-N 1 0 363.462 2.489 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417719489 559373899 /nfs/dbraw/zinc/37/38/99/559373899.db2.gz QBYKTFVXJKBZIS-UHFFFAOYSA-N 1 0 363.462 2.394 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417990120 559385489 /nfs/dbraw/zinc/38/54/89/559385489.db2.gz MAJPXYXOVHIVKF-MRXNPFEDSA-N 1 0 352.822 2.186 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418559607 559406127 /nfs/dbraw/zinc/40/61/27/559406127.db2.gz VTHXFQAUGDRDRT-UHFFFAOYSA-N 1 0 352.394 2.466 20 5 FEBDRO COC[C@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCC[NH2+]1 ZINC000418635767 559408851 /nfs/dbraw/zinc/40/88/51/559408851.db2.gz LCYMDMFVHSYWHQ-GOSISDBHSA-N 1 0 364.446 2.283 20 5 FEBDRO COC[C@]1(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCC[NH2+]1 ZINC000418660294 559410203 /nfs/dbraw/zinc/41/02/03/559410203.db2.gz XCNPCBPQZUMXLM-GOSISDBHSA-N 1 0 362.430 2.037 20 5 FEBDRO C[C@@H](CCC[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418709977 559411888 /nfs/dbraw/zinc/41/18/88/559411888.db2.gz SILVWRWQUWCTMH-ZDUSSCGKSA-N 1 0 350.419 2.275 20 5 FEBDRO C[C@H](CCC[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418709976 559411953 /nfs/dbraw/zinc/41/19/53/559411953.db2.gz SILVWRWQUWCTMH-CYBMUJFWSA-N 1 0 350.419 2.275 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000420044914 559469981 /nfs/dbraw/zinc/46/99/81/559469981.db2.gz QGBOSSLHSNAJOA-MRXNPFEDSA-N 1 0 351.428 2.242 20 5 FEBDRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420338026 559481648 /nfs/dbraw/zinc/48/16/48/559481648.db2.gz NNNRTVYQTLYPTQ-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420344559 559482123 /nfs/dbraw/zinc/48/21/23/559482123.db2.gz UDDLQAJGCWJZFW-OAHLLOKOSA-N 1 0 362.430 2.006 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420391301 559484949 /nfs/dbraw/zinc/48/49/49/559484949.db2.gz RXUDIGSSWQPCHE-PZPSRYQVSA-N 1 0 372.400 2.488 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000421684118 559549282 /nfs/dbraw/zinc/54/92/82/559549282.db2.gz IJYPDTJUNYLZMK-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1C ZINC000422552833 559594629 /nfs/dbraw/zinc/59/46/29/559594629.db2.gz IIODRIZUVXRKHR-OBJOEFQTSA-N 1 0 355.460 2.206 20 5 FEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000422713189 559604000 /nfs/dbraw/zinc/60/40/00/559604000.db2.gz OYXNXUZYZBWULE-GFCCVEGCSA-N 1 0 357.360 2.393 20 5 FEBDRO Cn1ccnc1[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423430614 559629035 /nfs/dbraw/zinc/62/90/35/559629035.db2.gz HZSCAKNZKQCHES-RCCFBDPRSA-N 1 0 355.442 2.395 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000423694013 559636197 /nfs/dbraw/zinc/63/61/97/559636197.db2.gz FMEAVOIITSNUGW-DOMZBBRYSA-N 1 0 353.806 2.217 20 5 FEBDRO CC(C)CCSc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423986199 559649107 /nfs/dbraw/zinc/64/91/07/559649107.db2.gz FINMYNWTFOSVOA-CQSZACIVSA-N 1 0 367.471 2.451 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1SC ZINC000424009149 559650704 /nfs/dbraw/zinc/65/07/04/559650704.db2.gz HRKYUUYYFNKICT-MNOVXSKESA-N 1 0 353.444 2.382 20 5 FEBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000424021004 559651486 /nfs/dbraw/zinc/65/14/86/559651486.db2.gz SVKRMQSFMCTXFF-HNNXBMFYSA-N 1 0 372.429 2.246 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1SC ZINC000424057994 559652932 /nfs/dbraw/zinc/65/29/32/559652932.db2.gz UKCBVEDNPKXYPN-UHFFFAOYSA-N 1 0 351.428 2.293 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000424064851 559653188 /nfs/dbraw/zinc/65/31/88/559653188.db2.gz DPXNFEOAZCTEDT-MCIONIFRSA-N 1 0 357.414 2.226 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000424075656 559653908 /nfs/dbraw/zinc/65/39/08/559653908.db2.gz PMCBVJWEZVIVAY-IJLUTSLNSA-N 1 0 358.398 2.294 20 5 FEBDRO Cn1cc([C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]2[NH3+])cn1 ZINC000424222197 559658417 /nfs/dbraw/zinc/65/84/17/559658417.db2.gz DBWJFGNDTYNLEW-UONOGXRCSA-N 1 0 371.422 2.110 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425049251 559685202 /nfs/dbraw/zinc/68/52/02/559685202.db2.gz PKMKZZKUHWPYBV-MAUKXSAKSA-N 1 0 358.442 2.361 20 5 FEBDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)Cn3cc([N+](=O)[O-])cn3)sc2C1 ZINC000425088082 559686730 /nfs/dbraw/zinc/68/67/30/559686730.db2.gz VNLKOLJNOMXYGD-UHFFFAOYSA-N 1 0 364.431 2.043 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000425540790 559708679 /nfs/dbraw/zinc/70/86/79/559708679.db2.gz MHLATGNUCPVZCZ-AWEZNQCLSA-N 1 0 364.446 2.408 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000428976934 559787169 /nfs/dbraw/zinc/78/71/69/559787169.db2.gz IFOKKOILPYZLGS-RYUDHWBXSA-N 1 0 351.403 2.120 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429236831 559793467 /nfs/dbraw/zinc/79/34/67/559793467.db2.gz MSGQXQOUHDULMK-AAEUAGOBSA-N 1 0 371.393 2.393 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429482607 559799569 /nfs/dbraw/zinc/79/95/69/559799569.db2.gz UOJKHCVZVYRGST-XHDPSFHLSA-N 1 0 374.445 2.163 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769265 559805215 /nfs/dbraw/zinc/80/52/15/559805215.db2.gz CAEQJJGJCGLZQZ-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774801 559805384 /nfs/dbraw/zinc/80/53/84/559805384.db2.gz VAQZHRJAQZAXHD-ZLKJLUDKSA-N 1 0 359.386 2.210 20 5 FEBDRO O=C(C[C@@H]1CCC[NH2+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429792417 559805848 /nfs/dbraw/zinc/80/58/48/559805848.db2.gz KOMSBZCPVMIIJO-NSHDSACASA-N 1 0 360.336 2.284 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH2+]CC2CC2)CC1 ZINC000430591332 559823886 /nfs/dbraw/zinc/82/38/86/559823886.db2.gz FAJLJVJVKPHQNW-UHFFFAOYSA-N 1 0 362.430 2.006 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000430591775 559824039 /nfs/dbraw/zinc/82/40/39/559824039.db2.gz FWWGXYBOEKUJCJ-GXTWGEPZSA-N 1 0 352.435 2.236 20 5 FEBDRO O=C(CN1CC[NH2+]CC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000431093202 559833889 /nfs/dbraw/zinc/83/38/89/559833889.db2.gz ILIQTAPHDMJAPK-UHFFFAOYSA-N 1 0 358.442 2.092 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000436717337 559949876 /nfs/dbraw/zinc/94/98/76/559949876.db2.gz BSCJCLQWYWNFQB-MRXNPFEDSA-N 1 0 371.441 2.399 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000439479657 559995191 /nfs/dbraw/zinc/99/51/91/559995191.db2.gz ANTMJAPPXAIMRY-SFHVURJKSA-N 1 0 366.414 2.395 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000440074571 560004165 /nfs/dbraw/zinc/00/41/65/560004165.db2.gz HBPITQOFEWPZIA-KRWDZBQOSA-N 1 0 371.503 2.423 20 5 FEBDRO COc1ccc(OCCN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318719 560028496 /nfs/dbraw/zinc/02/84/96/560028496.db2.gz QBHUXYNAJYBQAE-BXUZGUMPSA-N 1 0 364.320 2.370 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@@]3(CCO)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000447073130 560156015 /nfs/dbraw/zinc/15/60/15/560156015.db2.gz RNPZKRPUBSPWPQ-SFHVURJKSA-N 1 0 362.382 2.495 20 5 FEBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447242065 560158536 /nfs/dbraw/zinc/15/85/36/560158536.db2.gz FDUOCYYLURYNMV-JGVFFNPUSA-N 1 0 368.242 2.259 20 5 FEBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447530546 560164067 /nfs/dbraw/zinc/16/40/67/560164067.db2.gz OLIPESUVGYETQK-INIZCTEOSA-N 1 0 355.460 2.233 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000447807448 560169599 /nfs/dbraw/zinc/16/95/99/560169599.db2.gz ROBVXLRIEMPJGV-IRXDYDNUSA-N 1 0 360.458 2.466 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447929525 560173332 /nfs/dbraw/zinc/17/33/32/560173332.db2.gz IGOPBIGJUWQOHK-HNNXBMFYSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448820305 560200889 /nfs/dbraw/zinc/20/08/89/560200889.db2.gz BALNHWNKCDPTHT-CYBMUJFWSA-N 1 0 357.414 2.447 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000449096542 560215709 /nfs/dbraw/zinc/21/57/09/560215709.db2.gz INOBUFFCSQIECV-ZFWWWQNUSA-N 1 0 374.393 2.284 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000449148372 560218302 /nfs/dbraw/zinc/21/83/02/560218302.db2.gz KCWHBIUYERMTJW-INIZCTEOSA-N 1 0 374.485 2.060 20 5 FEBDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449167011 560218711 /nfs/dbraw/zinc/21/87/11/560218711.db2.gz HOXCYWAVTAGEFT-AWEZNQCLSA-N 1 0 369.487 2.318 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1OC ZINC000449205206 560219994 /nfs/dbraw/zinc/21/99/94/560219994.db2.gz NJYIYHQEILSHHC-OLZOCXBDSA-N 1 0 363.414 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c(F)c1 ZINC000449358883 560226770 /nfs/dbraw/zinc/22/67/70/560226770.db2.gz PCLBWKLVRMJMLC-GFCCVEGCSA-N 1 0 350.371 2.395 20 5 FEBDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231671 /nfs/dbraw/zinc/23/16/71/560231671.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 1 0 374.485 2.361 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449727266 560238415 /nfs/dbraw/zinc/23/84/15/560238415.db2.gz PCEKASJCEPMZDN-ONGXEEELSA-N 1 0 356.220 2.143 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449956782 560246365 /nfs/dbraw/zinc/24/63/65/560246365.db2.gz AXKDMDSGLSLUTB-KRWDZBQOSA-N 1 0 357.414 2.397 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054526 560249455 /nfs/dbraw/zinc/24/94/55/560249455.db2.gz YAADDCSUPLKDJA-HOTGVXAUSA-N 1 0 369.425 2.479 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450107733 560250805 /nfs/dbraw/zinc/25/08/05/560250805.db2.gz YKEBCLJXYBGDJR-HNNXBMFYSA-N 1 0 371.441 2.488 20 5 FEBDRO Cc1cc(NC[C@H]2CCCC[N@@H+]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450617505 560268120 /nfs/dbraw/zinc/26/81/20/560268120.db2.gz RDBTZDZSCOYJDN-QGZVFWFLSA-N 1 0 371.441 2.041 20 5 FEBDRO CC/C=C/CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000450699957 560270671 /nfs/dbraw/zinc/27/06/71/560270671.db2.gz YWSABJUPFBURQG-AATRIKPKSA-N 1 0 370.475 2.203 20 5 FEBDRO O=C1[C@H]([NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606513 560317132 /nfs/dbraw/zinc/31/71/32/560317132.db2.gz LSCFIZFZICQXPT-KSZLIROESA-N 1 0 359.426 2.087 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691013 560322283 /nfs/dbraw/zinc/32/22/83/560322283.db2.gz BCXXHBPCWHAJGF-KJWYOANISA-N 1 0 359.426 2.183 20 5 FEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451773581 560327820 /nfs/dbraw/zinc/32/78/20/560327820.db2.gz CTHCTCBKWYPVOO-PMPSAXMXSA-N 1 0 361.398 2.022 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000452082962 560350026 /nfs/dbraw/zinc/35/00/26/560350026.db2.gz KXRQGUNIFCRNIS-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCOc1ccc(NC(=O)CNC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000452096146 560350836 /nfs/dbraw/zinc/35/08/36/560350836.db2.gz NAZBYNBRBOKAKT-UHFFFAOYSA-N 1 0 364.446 2.396 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452785124 560374012 /nfs/dbraw/zinc/37/40/12/560374012.db2.gz QPBNUFRQWBDBDR-OAHLLOKOSA-N 1 0 363.458 2.469 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000453038635 560381970 /nfs/dbraw/zinc/38/19/70/560381970.db2.gz QCQQKJCZJWKJIG-DOMZBBRYSA-N 1 0 358.423 2.494 20 5 FEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453151160 560383924 /nfs/dbraw/zinc/38/39/24/560383924.db2.gz VPNBPANHPFDROQ-AWEZNQCLSA-N 1 0 364.427 2.009 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000456368127 560517803 /nfs/dbraw/zinc/51/78/03/560517803.db2.gz DULGHDOPJWVENI-ZDUSSCGKSA-N 1 0 351.403 2.168 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000456530390 560523423 /nfs/dbraw/zinc/52/34/23/560523423.db2.gz YHVFIBAOPMGBPF-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457055549 560546207 /nfs/dbraw/zinc/54/62/07/560546207.db2.gz SCLNVLYZPSFRDH-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092914 560548410 /nfs/dbraw/zinc/54/84/10/560548410.db2.gz XNUPLNDJKRCZFU-OAHLLOKOSA-N 1 0 363.414 2.326 20 5 FEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000457356698 560563617 /nfs/dbraw/zinc/56/36/17/560563617.db2.gz GOUMKUXOQFDXBU-BXKDBHETSA-N 1 0 361.320 2.488 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000457374495 560564236 /nfs/dbraw/zinc/56/42/36/560564236.db2.gz WSFZWRKOXVOXNP-PRXAMGSTSA-N 1 0 367.471 2.421 20 5 FEBDRO COc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000457912644 560593719 /nfs/dbraw/zinc/59/37/19/560593719.db2.gz BJSJNHVOPJRXEM-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO CC(C)(C)C1CC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000459390850 560683962 /nfs/dbraw/zinc/68/39/62/560683962.db2.gz TXASVZJYAIWTMO-UHFFFAOYSA-N 1 0 355.460 2.287 20 5 FEBDRO CCOC(=O)CC(C)(C)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459514165 560691241 /nfs/dbraw/zinc/69/12/41/560691241.db2.gz SDMAGZFQOIPXQQ-UHFFFAOYSA-N 1 0 364.446 2.481 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000461185789 560762973 /nfs/dbraw/zinc/76/29/73/560762973.db2.gz DZWUYGDFYMFNKV-UHFFFAOYSA-N 1 0 374.445 2.370 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000463741561 560822817 /nfs/dbraw/zinc/82/28/17/560822817.db2.gz LWBHUQIDBXKLOL-MCIONIFRSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465136701 560858861 /nfs/dbraw/zinc/85/88/61/560858861.db2.gz SHZFMSPVKWOSJG-UHFFFAOYSA-N 1 0 365.430 2.147 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466017120 560878036 /nfs/dbraw/zinc/87/80/36/560878036.db2.gz CMLIKXCSJCJPEW-AWEZNQCLSA-N 1 0 374.441 2.384 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000467068650 560902825 /nfs/dbraw/zinc/90/28/25/560902825.db2.gz MCDMDFPAEIPTKB-JTQLQIEISA-N 1 0 361.489 2.316 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000467134510 560904417 /nfs/dbraw/zinc/90/44/17/560904417.db2.gz XJZSQEOYGGYPIS-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000469057787 560946005 /nfs/dbraw/zinc/94/60/05/560946005.db2.gz UHKUIRSBWROVNH-OLZOCXBDSA-N 1 0 371.459 2.145 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000469163427 560948794 /nfs/dbraw/zinc/94/87/94/560948794.db2.gz IEHCNACNZXFLCH-STQMWFEESA-N 1 0 371.459 2.097 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000470126068 560974802 /nfs/dbraw/zinc/97/48/02/560974802.db2.gz XVCYOWVQKQLITK-AWEZNQCLSA-N 1 0 354.382 2.308 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173254 560975985 /nfs/dbraw/zinc/97/59/85/560975985.db2.gz KKXXVYRGWAELOO-WQMJKPAKSA-N 1 0 353.444 2.012 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000470684793 560987483 /nfs/dbraw/zinc/98/74/83/560987483.db2.gz VNMYTWTZVZRDRO-UHFFFAOYSA-N 1 0 351.403 2.185 20 5 FEBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)CC1 ZINC000471645918 561009580 /nfs/dbraw/zinc/00/95/80/561009580.db2.gz JUBAVYVDOKYQFY-UHFFFAOYSA-N 1 0 357.414 2.328 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CO)c1ccsc1 ZINC000473163816 561043095 /nfs/dbraw/zinc/04/30/95/561043095.db2.gz JQKASEJFAUPETA-CYBMUJFWSA-N 1 0 363.395 2.278 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473999621 561063204 /nfs/dbraw/zinc/06/32/04/561063204.db2.gz GACKVHQWLITACM-GXTWGEPZSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473999462 561063222 /nfs/dbraw/zinc/06/32/22/561063222.db2.gz FIYMKYHPPHACTG-KBPBESRZSA-N 1 0 366.414 2.441 20 5 FEBDRO CCC[NH+]1CCC(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000474339708 561071565 /nfs/dbraw/zinc/07/15/65/561071565.db2.gz BWJIJKNLAHQRCO-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000474371492 561072448 /nfs/dbraw/zinc/07/24/48/561072448.db2.gz LLJGSSWLCIFRFB-UHFFFAOYSA-N 1 0 352.387 2.053 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475706399 561102793 /nfs/dbraw/zinc/10/27/93/561102793.db2.gz PBWDYBPYVHMAGH-GJZGRUSLSA-N 1 0 364.398 2.148 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722716 561103379 /nfs/dbraw/zinc/10/33/79/561103379.db2.gz STDDJWULRFRNRM-CABCVRRESA-N 1 0 364.398 2.005 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000476377828 561117907 /nfs/dbraw/zinc/11/79/07/561117907.db2.gz XDFIPCKELYLGEO-QGZVFWFLSA-N 1 0 371.441 2.141 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000476634028 561124960 /nfs/dbraw/zinc/12/49/60/561124960.db2.gz RPUVNLUZULIWGO-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CNc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000530619544 562418009 /nfs/dbraw/zinc/41/80/09/562418009.db2.gz GVTAHMXCACUPSJ-UHFFFAOYSA-N 1 0 364.446 2.256 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000532376814 562475713 /nfs/dbraw/zinc/47/57/13/562475713.db2.gz QQDCMWDQIJISFK-UHFFFAOYSA-N 1 0 369.468 2.341 20 5 FEBDRO Cn1c2ccccc2nc1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532750609 562487498 /nfs/dbraw/zinc/48/74/98/562487498.db2.gz TVJIVYLCEVAWIO-UHFFFAOYSA-N 1 0 366.425 2.241 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000533309685 562504955 /nfs/dbraw/zinc/50/49/55/562504955.db2.gz VAFIFZSWMLAAOI-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000534272287 562529216 /nfs/dbraw/zinc/52/92/16/562529216.db2.gz UUFXZVOHPYDZMR-AWEZNQCLSA-N 1 0 357.414 2.241 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](NC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000535808148 562568439 /nfs/dbraw/zinc/56/84/39/562568439.db2.gz SPYGRIUBKHOVKP-NSHDSACASA-N 1 0 360.370 2.106 20 5 FEBDRO COC(=O)c1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000536995809 562583861 /nfs/dbraw/zinc/58/38/61/562583861.db2.gz KVIUYMTZYPRQAD-KBPBESRZSA-N 1 0 353.444 2.172 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000541282496 562607868 /nfs/dbraw/zinc/60/78/68/562607868.db2.gz QODJWMUUZOVWOY-OWCLPIDISA-N 1 0 350.415 2.083 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908373 562623017 /nfs/dbraw/zinc/62/30/17/562623017.db2.gz KXWWCQZXWRPBBX-UKRRQHHQSA-N 1 0 355.398 2.369 20 5 FEBDRO Cc1cccc2ncc(C[NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n21 ZINC000541784698 567820928 /nfs/dbraw/zinc/82/09/28/567820928.db2.gz VAYQWRUMFITYQE-UHFFFAOYSA-N 1 0 374.422 2.114 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568149269 567947135 /nfs/dbraw/zinc/94/71/35/567947135.db2.gz HAZRAOSJXXHVOY-ZDUSSCGKSA-N 1 0 367.471 2.302 20 5 FEBDRO CCN1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602714309 568019728 /nfs/dbraw/zinc/01/97/28/568019728.db2.gz ZDHOWFNCTSFMNV-MRVPVSSYSA-N 1 0 362.249 2.377 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569111678 568277877 /nfs/dbraw/zinc/27/78/77/568277877.db2.gz WBCNUSPCFGMADY-KBPBESRZSA-N 1 0 362.430 2.160 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000569503290 568403880 /nfs/dbraw/zinc/40/38/80/568403880.db2.gz NHJVUWHEXNFNIH-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO Cn1nc(Br)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734453 674507740 /nfs/dbraw/zinc/50/77/40/674507740.db2.gz DZRSQIJMCOROTA-UHFFFAOYSA-N 1 0 354.208 2.056 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000888 606224583 /nfs/dbraw/zinc/22/45/83/606224583.db2.gz KXJSUPHBZCBIBA-TZMCWYRMSA-N 1 0 357.418 2.228 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823640128 607037684 /nfs/dbraw/zinc/03/76/84/607037684.db2.gz UPVQXNSYPDCQDW-UHFFFAOYSA-N 1 0 357.418 2.230 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000562224506 674730496 /nfs/dbraw/zinc/73/04/96/674730496.db2.gz ZLFIPANTKQYEBM-LBPRGKRZSA-N 1 0 351.403 2.232 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000562547038 674768368 /nfs/dbraw/zinc/76/83/68/674768368.db2.gz OZTXJGPCVJGJHV-AWEZNQCLSA-N 1 0 364.789 2.382 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000041669604 670148864 /nfs/dbraw/zinc/14/88/64/670148864.db2.gz DWMVUEFQLPSSJR-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000041669611 670149148 /nfs/dbraw/zinc/14/91/48/670149148.db2.gz DWMVUEFQLPSSJR-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047144432 670235103 /nfs/dbraw/zinc/23/51/03/670235103.db2.gz NGSKSFLKVOKSRF-NSHDSACASA-N 1 0 350.375 2.416 20 5 FEBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000817297858 675119065 /nfs/dbraw/zinc/11/90/65/675119065.db2.gz WNWLKHLEUKBAGB-LLVKDONJSA-N 1 0 371.821 2.360 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000570625289 670741561 /nfs/dbraw/zinc/74/15/61/670741561.db2.gz MISSSKRDVAXYGC-DGCLKSJQSA-N 1 0 351.403 2.344 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000093018648 670747809 /nfs/dbraw/zinc/74/78/09/670747809.db2.gz MKQOVBMTSWIBPH-NSHDSACASA-N 1 0 361.439 2.297 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000101573143 670769298 /nfs/dbraw/zinc/76/92/98/670769298.db2.gz OXYTXDADDBFBSJ-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817491343 675138629 /nfs/dbraw/zinc/13/86/29/675138629.db2.gz OJIJFXHKZWBSBL-LBPRGKRZSA-N 1 0 350.375 2.286 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000571282975 670849015 /nfs/dbraw/zinc/84/90/15/670849015.db2.gz CFWOYXFKWURXNI-BDAKNGLRSA-N 1 0 359.329 2.062 20 5 FEBDRO C[C@@](C[NH3+])(NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000572833772 671049905 /nfs/dbraw/zinc/04/99/05/671049905.db2.gz KXEKSYSRGPKTCD-AWEZNQCLSA-N 1 0 361.320 2.393 20 5 FEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000573834083 671170598 /nfs/dbraw/zinc/17/05/98/671170598.db2.gz LOOXSUKKAOZZQN-VYDXJSESSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000817879852 675184769 /nfs/dbraw/zinc/18/47/69/675184769.db2.gz HHXDBULFMZWJQT-WOPDTQHZSA-N 1 0 354.838 2.492 20 5 FEBDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000576345650 671362309 /nfs/dbraw/zinc/36/23/09/671362309.db2.gz MOSRUYCBFCNWAC-SWLSCSKDSA-N 1 0 362.407 2.480 20 5 FEBDRO CC1CC[NH+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000608812486 675904620 /nfs/dbraw/zinc/90/46/20/675904620.db2.gz TZWLSYWNLSOLRY-UHFFFAOYSA-N 1 0 351.451 2.155 20 5 FEBDRO Cc1nn(CCC(=O)NCC2([NH+](C)C)CCCCC2)c(C)c1[N+](=O)[O-] ZINC000608802208 675904379 /nfs/dbraw/zinc/90/43/79/675904379.db2.gz YHGXQSWKISWPRN-UHFFFAOYSA-N 1 0 351.451 2.179 20 5 FEBDRO COc1ncc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000578350514 671658803 /nfs/dbraw/zinc/65/88/03/671658803.db2.gz PMENMYRUAJCWKL-ZDUSSCGKSA-N 1 0 367.789 2.181 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000609674026 675932021 /nfs/dbraw/zinc/93/20/21/675932021.db2.gz SQFYWOZPNSMDAC-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000579948237 671772283 /nfs/dbraw/zinc/77/22/83/671772283.db2.gz WCXQURUZBLUJEL-OGVSOVDVSA-N 1 0 368.796 2.423 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000580541728 671816513 /nfs/dbraw/zinc/81/65/13/671816513.db2.gz YUMSWQVJSUNVES-NEPJUHHUSA-N 1 0 351.432 2.027 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000581248833 671878148 /nfs/dbraw/zinc/87/81/48/671878148.db2.gz PSWOCURZMXQFMB-KGLIPLIRSA-N 1 0 353.444 2.014 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000610135417 675956384 /nfs/dbraw/zinc/95/63/84/675956384.db2.gz RPNIGPWYNYLVOO-KBPBESRZSA-N 1 0 355.460 2.397 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000582158180 671973385 /nfs/dbraw/zinc/97/33/85/671973385.db2.gz ZFRPGXDTDNYSIQ-CYBMUJFWSA-N 1 0 365.821 2.497 20 5 FEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582300004 671987632 /nfs/dbraw/zinc/98/76/32/671987632.db2.gz UZVZNIIERVZOMW-STQMWFEESA-N 1 0 350.419 2.273 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000123934846 671987856 /nfs/dbraw/zinc/98/78/56/671987856.db2.gz CFHBQOPNPNGMPB-SNVBAGLBSA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)s1 ZINC000582306429 671988318 /nfs/dbraw/zinc/98/83/18/671988318.db2.gz ORDCLHQQJNVRES-LBPRGKRZSA-N 1 0 363.443 2.282 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)cn1 ZINC000582372429 671995724 /nfs/dbraw/zinc/99/57/24/671995724.db2.gz WVVFQBANRNGZBL-KRWDZBQOSA-N 1 0 350.419 2.045 20 5 FEBDRO COC(=O)C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCOC1 ZINC000582799301 672035129 /nfs/dbraw/zinc/03/51/29/672035129.db2.gz RZEGKAYZSSUUSO-AWEZNQCLSA-N 1 0 362.304 2.425 20 5 FEBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000610447915 675972305 /nfs/dbraw/zinc/97/23/05/675972305.db2.gz PXYHEHIAEZQUKS-AWEZNQCLSA-N 1 0 358.320 2.307 20 5 FEBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000583410604 672091904 /nfs/dbraw/zinc/09/19/04/672091904.db2.gz WXLHLBWYQLGKMA-NWDGAFQWSA-N 1 0 362.167 2.466 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000138486838 672144389 /nfs/dbraw/zinc/14/43/89/672144389.db2.gz PZKBRDMHLZMCMW-MRXNPFEDSA-N 1 0 353.423 2.074 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139101178 672145546 /nfs/dbraw/zinc/14/55/46/672145546.db2.gz GDIGFECXTQHICT-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000152156558 672176152 /nfs/dbraw/zinc/17/61/52/672176152.db2.gz RHEBCIBUBXWBMC-CQSZACIVSA-N 1 0 353.394 2.009 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000154302108 672214099 /nfs/dbraw/zinc/21/40/99/672214099.db2.gz BBJRLNHKKBNTSD-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172178777 672340084 /nfs/dbraw/zinc/34/00/84/672340084.db2.gz BBCYRXJAKUWZEL-UHFFFAOYSA-N 1 0 368.865 2.234 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175084214 672365311 /nfs/dbraw/zinc/36/53/11/672365311.db2.gz VYYCLOWYLLRZEM-VXGBXAGGSA-N 1 0 361.851 2.399 20 5 FEBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204939 676024546 /nfs/dbraw/zinc/02/45/46/676024546.db2.gz BUCLDBPVDICVHY-STQMWFEESA-N 1 0 351.403 2.289 20 5 FEBDRO COC(=O)CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611260673 676028684 /nfs/dbraw/zinc/02/86/84/676028684.db2.gz QHJFWFOTHXLVFL-UHFFFAOYSA-N 1 0 352.387 2.387 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590043742 672555399 /nfs/dbraw/zinc/55/53/99/672555399.db2.gz FLFNMYFYBYJWPG-DOMZBBRYSA-N 1 0 358.423 2.494 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590445077 672583362 /nfs/dbraw/zinc/58/33/62/672583362.db2.gz QEBYRVMGRWEFPW-IUODEOHRSA-N 1 0 365.455 2.109 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590444957 672583635 /nfs/dbraw/zinc/58/36/35/672583635.db2.gz OLQDDGVOEWUURK-TVQRCGJNSA-N 1 0 354.204 2.133 20 5 FEBDRO CS(=O)(=O)C[C@@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590758815 672612465 /nfs/dbraw/zinc/61/24/65/672612465.db2.gz PAQFQTWTUSBSKJ-HNNXBMFYSA-N 1 0 356.444 2.263 20 5 FEBDRO Cc1c(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000591305274 672667550 /nfs/dbraw/zinc/66/75/50/672667550.db2.gz YTXGIVYMWTUEBF-AOOOYVTPSA-N 1 0 369.219 2.349 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000591676539 672700573 /nfs/dbraw/zinc/70/05/73/672700573.db2.gz VSJKHURUPFTZNI-BXUZGUMPSA-N 1 0 351.403 2.202 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000591728168 672705310 /nfs/dbraw/zinc/70/53/10/672705310.db2.gz MHRKPHXQZPAQBO-CQSZACIVSA-N 1 0 363.805 2.119 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591749736 672707597 /nfs/dbraw/zinc/70/75/97/672707597.db2.gz JINCSHDINHILOH-MYQIYSQDSA-N 1 0 370.471 2.004 20 5 FEBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591984338 672729176 /nfs/dbraw/zinc/72/91/76/672729176.db2.gz FANXFGBWFFNFEV-JTQLQIEISA-N 1 0 360.336 2.170 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592242914 672776202 /nfs/dbraw/zinc/77/62/02/672776202.db2.gz AOMMCTDIABUYLC-CABZTGNLSA-N 1 0 354.204 2.181 20 5 FEBDRO Cc1ccc(C)c(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000195250039 672780167 /nfs/dbraw/zinc/78/01/67/672780167.db2.gz CYJNPJVVAUMOED-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391177 672796836 /nfs/dbraw/zinc/79/68/36/672796836.db2.gz ZDWMDDPWWRVUID-JKSUJKDBSA-N 1 0 367.471 2.136 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000592543785 672812825 /nfs/dbraw/zinc/81/28/25/672812825.db2.gz JRCRWOPQIMXINL-CQSZACIVSA-N 1 0 370.247 2.356 20 5 FEBDRO CC[C@@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592544692 672813217 /nfs/dbraw/zinc/81/32/17/672813217.db2.gz HKRGZPIXWNPXKU-KGLIPLIRSA-N 1 0 367.471 2.422 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592900093 672852666 /nfs/dbraw/zinc/85/26/66/672852666.db2.gz XUDPCSUBVVNVOP-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066560 672871249 /nfs/dbraw/zinc/87/12/49/672871249.db2.gz NOYJIQAJPJWYMC-WBMJQRKESA-N 1 0 364.833 2.467 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261844440 672904129 /nfs/dbraw/zinc/90/41/29/672904129.db2.gz ZDOGPQOGOCCQKW-NSHDSACASA-N 1 0 361.851 2.306 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730571 672984020 /nfs/dbraw/zinc/98/40/20/672984020.db2.gz LDROQKMRDCCOMS-ZYHUDNBSSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593731089 672984461 /nfs/dbraw/zinc/98/44/61/672984461.db2.gz RBJGVVSLWXRFGX-IAQYHMDHSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733746 672984837 /nfs/dbraw/zinc/98/48/37/672984837.db2.gz ITTGZJOCJDLPRQ-SMDDNHRTSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484745 673088745 /nfs/dbraw/zinc/08/87/45/673088745.db2.gz TVWSLQUFODHXHE-LSDHHAIUSA-N 1 0 353.444 2.198 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000725821456 673092505 /nfs/dbraw/zinc/09/25/05/673092505.db2.gz CIHLCZLFBCAIIN-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO COCc1csc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000594733081 673125807 /nfs/dbraw/zinc/12/58/07/673125807.db2.gz QVZAMWMAPMDOSQ-CYBMUJFWSA-N 1 0 352.412 2.332 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594792313 673144119 /nfs/dbraw/zinc/14/41/19/673144119.db2.gz PHDNTDACLDTIAQ-CQSZACIVSA-N 1 0 369.487 2.177 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](Cc4cccs4)CC3)nn21 ZINC000367215347 673146560 /nfs/dbraw/zinc/14/65/60/673146560.db2.gz FDTZJYMDJUIOIC-UHFFFAOYSA-N 1 0 358.427 2.776 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727078005 673153751 /nfs/dbraw/zinc/15/37/51/673153751.db2.gz ATFQDDMVKMHHEF-UHFFFAOYSA-N 1 0 354.476 2.155 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854182 673164826 /nfs/dbraw/zinc/16/48/26/673164826.db2.gz FHIKZJCEJLXZMT-LBPRGKRZSA-N 1 0 371.434 2.419 20 5 FEBDRO C[C@H](CSCCF)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595034506 673188102 /nfs/dbraw/zinc/18/81/02/673188102.db2.gz WHUHAZAEOZVFMV-LLVKDONJSA-N 1 0 350.437 2.049 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000595042723 673188908 /nfs/dbraw/zinc/18/89/08/673188908.db2.gz AZMSEZJIVORZOR-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO CC(C)[C@H]([NH3+])CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000595119940 673197245 /nfs/dbraw/zinc/19/72/45/673197245.db2.gz BHMNEVMUQGLOLI-LLVKDONJSA-N 1 0 369.365 2.265 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1F ZINC000595274113 673215933 /nfs/dbraw/zinc/21/59/33/673215933.db2.gz OBFVXHZNWNFCCC-VXGBXAGGSA-N 1 0 364.299 2.194 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595344155 673228111 /nfs/dbraw/zinc/22/81/11/673228111.db2.gz AOAKQMOPTJAYOJ-OAHLLOKOSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595471752 673255402 /nfs/dbraw/zinc/25/54/02/673255402.db2.gz PONQHWQTAMPNEK-CYBMUJFWSA-N 1 0 350.419 2.275 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595498776 673258488 /nfs/dbraw/zinc/25/84/88/673258488.db2.gz AYGNVUHSJFULFL-ZDUSSCGKSA-N 1 0 350.419 2.146 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000595512952 673259621 /nfs/dbraw/zinc/25/96/21/673259621.db2.gz ZNZIARWLCDLBHW-UHFFFAOYSA-N 1 0 351.447 2.046 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1Br ZINC000730807025 673291923 /nfs/dbraw/zinc/29/19/23/673291923.db2.gz MFOXTROJARDSNV-NSHDSACASA-N 1 0 358.240 2.072 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814290 673292118 /nfs/dbraw/zinc/29/21/18/673292118.db2.gz LNVVPZXMDCVLSC-VXGBXAGGSA-N 1 0 359.423 2.275 20 5 FEBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815333 673327346 /nfs/dbraw/zinc/32/73/46/673327346.db2.gz OEQSZMKDAHVZMU-ZBFHGGJFSA-N 1 0 350.415 2.368 20 5 FEBDRO COC(=O)c1cc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000595931641 673341361 /nfs/dbraw/zinc/34/13/61/673341361.db2.gz ZGXBQOVCRFHUHO-UHFFFAOYSA-N 1 0 361.379 2.341 20 5 FEBDRO CCC(CC)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000596070633 673355825 /nfs/dbraw/zinc/35/58/25/673355825.db2.gz HGISYFAYKOJZCQ-CQSZACIVSA-N 1 0 358.464 2.021 20 5 FEBDRO CCC(CC)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+](C)C ZINC000596071684 673356065 /nfs/dbraw/zinc/35/60/65/673356065.db2.gz RRDNTCLVZSCRDE-OAHLLOKOSA-N 1 0 358.464 2.021 20 5 FEBDRO CCC(CC)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+](C)C ZINC000596071683 673356097 /nfs/dbraw/zinc/35/60/97/673356097.db2.gz RRDNTCLVZSCRDE-HNNXBMFYSA-N 1 0 358.464 2.021 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCCCC1 ZINC000596076278 673356411 /nfs/dbraw/zinc/35/64/11/673356411.db2.gz OOPXLDMJKAKYPC-UHFFFAOYSA-N 1 0 370.475 2.181 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596097826 673358402 /nfs/dbraw/zinc/35/84/02/673358402.db2.gz GVHWVSFWTTZGSO-AWEZNQCLSA-N 1 0 370.475 2.309 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732223588 673359303 /nfs/dbraw/zinc/35/93/03/673359303.db2.gz IOSBTXGKIVFGEF-GFCCVEGCSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[C@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C1CC1 ZINC000596484787 673388936 /nfs/dbraw/zinc/38/89/36/673388936.db2.gz ATVZYNKHZZHHDO-AWEZNQCLSA-N 1 0 370.475 2.035 20 5 FEBDRO CC[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C1CC1 ZINC000596484788 673388994 /nfs/dbraw/zinc/38/89/94/673388994.db2.gz ATVZYNKHZZHHDO-CQSZACIVSA-N 1 0 370.475 2.035 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000537924060 673414109 /nfs/dbraw/zinc/41/41/09/673414109.db2.gz MHBAFIVCLRMHQQ-UKRRQHHQSA-N 1 0 353.444 2.111 20 5 FEBDRO CN(CC1C[NH+](C)C1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000596900534 673424132 /nfs/dbraw/zinc/42/41/32/673424132.db2.gz PUMQLJJZRNCFLO-UHFFFAOYSA-N 1 0 357.208 2.383 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096908 673447178 /nfs/dbraw/zinc/44/71/78/673447178.db2.gz LFBRDPBTQUGUQB-LLVKDONJSA-N 1 0 373.841 2.045 20 5 FEBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCCO1 ZINC000538707297 673453366 /nfs/dbraw/zinc/45/33/66/673453366.db2.gz ROGDJYLOXXZKGK-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597587026 673490132 /nfs/dbraw/zinc/49/01/32/673490132.db2.gz MOLBJQKJVVCRDP-UHFFFAOYSA-N 1 0 365.455 2.037 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000597697211 673500229 /nfs/dbraw/zinc/50/02/29/673500229.db2.gz DSAZLXBDXSNOSH-WFASDCNBSA-N 1 0 367.471 2.498 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000539727917 673503095 /nfs/dbraw/zinc/50/30/95/673503095.db2.gz DBWMQNZAGGIDCE-AEFFLSMTSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598600451 673588235 /nfs/dbraw/zinc/58/82/35/673588235.db2.gz FKKOEMKMTHBRHR-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598669980 673596845 /nfs/dbraw/zinc/59/68/45/673596845.db2.gz PDKXFIADSUISJL-MMPTUQATSA-N 1 0 353.806 2.355 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000542745599 673601214 /nfs/dbraw/zinc/60/12/14/673601214.db2.gz WTCATIIMWYQALY-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598716113 673602895 /nfs/dbraw/zinc/60/28/95/673602895.db2.gz XNCBQXYIJJTZPS-BZPMIXESSA-N 1 0 355.460 2.206 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599071959 673631292 /nfs/dbraw/zinc/63/12/92/673631292.db2.gz CTUZFCGHDYAGDA-GVDBMIGSSA-N 1 0 367.471 2.422 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000543673259 673660616 /nfs/dbraw/zinc/66/06/16/673660616.db2.gz MLWCEKATLYFQAF-JSGCOSHPSA-N 1 0 355.460 2.172 20 5 FEBDRO CC[C@@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000741032422 673667023 /nfs/dbraw/zinc/66/70/23/673667023.db2.gz JTVIGUQZYIRNCG-HNNXBMFYSA-N 1 0 351.403 2.221 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464536 673678787 /nfs/dbraw/zinc/67/87/87/673678787.db2.gz NKGFCAOSKNSGLQ-OAHLLOKOSA-N 1 0 353.444 2.031 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000599672543 673704944 /nfs/dbraw/zinc/70/49/44/673704944.db2.gz FPCSBXUQUORNOG-UHFFFAOYSA-N 1 0 351.403 2.376 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000614445270 676175447 /nfs/dbraw/zinc/17/54/47/676175447.db2.gz XHLIZYREKPLWOV-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO CSc1cccc(C(=O)NCCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000614456932 676175929 /nfs/dbraw/zinc/17/59/29/676175929.db2.gz DLLYUNQUUKNBKS-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC000600000120 673733126 /nfs/dbraw/zinc/73/31/26/673733126.db2.gz OMDPEMHSOMXJCQ-YABSGUDNSA-N 1 0 368.231 2.298 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000600743403 673795978 /nfs/dbraw/zinc/79/59/78/673795978.db2.gz IRZIVPRTIRXCGE-IYBDPMFKSA-N 1 0 352.822 2.118 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000546731645 673814020 /nfs/dbraw/zinc/81/40/20/673814020.db2.gz VZEMGNDBWIVBMN-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601125906 673827458 /nfs/dbraw/zinc/82/74/58/673827458.db2.gz RWEYWUUNHVXCHM-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000601292130 673838788 /nfs/dbraw/zinc/83/87/88/673838788.db2.gz SIRSWAWKNLVJKO-CHWSQXEVSA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000601339744 673844902 /nfs/dbraw/zinc/84/49/02/673844902.db2.gz GQCUJSIKXTVWFN-GFCCVEGCSA-N 1 0 359.473 2.214 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])s1 ZINC000601341319 673845228 /nfs/dbraw/zinc/84/52/28/673845228.db2.gz BFWGXWKOTPSZFS-JTQLQIEISA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601344637 673845777 /nfs/dbraw/zinc/84/57/77/673845777.db2.gz ZCHRZXBJIXMCPL-UHFFFAOYSA-N 1 0 371.434 2.197 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601403787 673856576 /nfs/dbraw/zinc/85/65/76/673856576.db2.gz ADOWIJJYNRLNJY-UHFFFAOYSA-N 1 0 359.473 2.117 20 5 FEBDRO CC(C)(NS(=O)(=O)CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000601419124 673859287 /nfs/dbraw/zinc/85/92/87/673859287.db2.gz HEFVJXHTZSKMLB-UHFFFAOYSA-N 1 0 355.460 2.235 20 5 FEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000601439114 673862518 /nfs/dbraw/zinc/86/25/18/673862518.db2.gz BZBKSAHTJQYMSO-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601469239 673867601 /nfs/dbraw/zinc/86/76/01/673867601.db2.gz NPMCLFIHIJCECS-UHFFFAOYSA-N 1 0 373.500 2.365 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000601502168 673871824 /nfs/dbraw/zinc/87/18/24/673871824.db2.gz MDQOJXHFDGBWLC-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000601501539 673871834 /nfs/dbraw/zinc/87/18/34/673871834.db2.gz CKLSFSFNPYEYJT-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000601502399 673871858 /nfs/dbraw/zinc/87/18/58/673871858.db2.gz POICYMJTNUSTKZ-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000601503862 673872441 /nfs/dbraw/zinc/87/24/41/673872441.db2.gz REXIOVWIZHSOBN-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601976308 673901012 /nfs/dbraw/zinc/90/10/12/673901012.db2.gz VYONBGMNXZSCDF-ABAIWWIYSA-N 1 0 368.231 2.158 20 5 FEBDRO COCCc1ncc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000602474759 673906615 /nfs/dbraw/zinc/90/66/15/673906615.db2.gz RQMBGUNQKITNIP-LBPRGKRZSA-N 1 0 363.443 2.322 20 5 FEBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638923 673908926 /nfs/dbraw/zinc/90/89/26/673908926.db2.gz HMJRUFPFBJKXFR-WRWORJQWSA-N 1 0 351.222 2.048 20 5 FEBDRO COCCN(CC[NH+](C)C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602654447 673908980 /nfs/dbraw/zinc/90/89/80/673908980.db2.gz BRDDEQBWMGIBEE-UHFFFAOYSA-N 1 0 366.281 2.429 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1Br ZINC000602707118 673910090 /nfs/dbraw/zinc/91/00/90/673910090.db2.gz SWGVTFPERFLFDI-LBPRGKRZSA-N 1 0 365.249 2.440 20 5 FEBDRO CCN1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000602714310 673910134 /nfs/dbraw/zinc/91/01/34/673910134.db2.gz ZDHOWFNCTSFMNV-QMMMGPOBSA-N 1 0 362.249 2.377 20 5 FEBDRO CCCCCC(=O)NC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602765202 673910681 /nfs/dbraw/zinc/91/06/81/673910681.db2.gz HYBWEQYALKCRCK-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000603389243 673929095 /nfs/dbraw/zinc/92/90/95/673929095.db2.gz ASFYDVXPCCINON-RYUDHWBXSA-N 1 0 361.489 2.397 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000615189554 676206678 /nfs/dbraw/zinc/20/66/78/676206678.db2.gz CIFUWBRQBRMWII-JTQLQIEISA-N 1 0 368.821 2.033 20 5 FEBDRO COc1ccc([C@@H](C[NH3+])Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000566971454 675256978 /nfs/dbraw/zinc/25/69/78/675256978.db2.gz QAEGFSDYXGOEJN-JTQLQIEISA-N 1 0 355.192 2.305 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000819158879 675265121 /nfs/dbraw/zinc/26/51/21/675265121.db2.gz CDXCMUDPJRKLEE-CQSZACIVSA-N 1 0 351.790 2.215 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(Cl)nc2)c1 ZINC000819158878 675265209 /nfs/dbraw/zinc/26/52/09/675265209.db2.gz CDXCMUDPJRKLEE-AWEZNQCLSA-N 1 0 351.790 2.215 20 5 FEBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819184617 675267473 /nfs/dbraw/zinc/26/74/73/675267473.db2.gz GHTDXODQAXSEMM-SWLSCSKDSA-N 1 0 353.419 2.379 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000819197840 675268926 /nfs/dbraw/zinc/26/89/26/675268926.db2.gz MNKWYYQHSSHWOA-CZPYZCIJSA-N 1 0 370.496 2.304 20 5 FEBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000823253332 675539536 /nfs/dbraw/zinc/53/95/36/675539536.db2.gz KSNNKJIEMATWDH-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO Nc1ccc(NC(=O)NCCN2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000824002958 675579403 /nfs/dbraw/zinc/57/94/03/675579403.db2.gz KCAPKSKRZCORSJ-UHFFFAOYSA-N 1 0 361.427 2.418 20 5 FEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825363805 675648894 /nfs/dbraw/zinc/64/88/94/675648894.db2.gz DTKDRYYNICMNOL-QGZVFWFLSA-N 1 0 351.447 2.455 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603406533 675798096 /nfs/dbraw/zinc/79/80/96/675798096.db2.gz JIFWTZAAJKDSQZ-UHFFFAOYSA-N 1 0 351.451 2.214 20 5 FEBDRO CC1CC[NH+](CCCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603930553 675802371 /nfs/dbraw/zinc/80/23/71/675802371.db2.gz WDIAQFAMDBUALW-UHFFFAOYSA-N 1 0 370.475 2.166 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604505413 675805729 /nfs/dbraw/zinc/80/57/29/675805729.db2.gz ZGHAHPYHRIGYGG-CMPLNLGQSA-N 1 0 353.806 2.368 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000828512533 675826610 /nfs/dbraw/zinc/82/66/10/675826610.db2.gz WBOBMOGXXPENEV-GZMMTYOYSA-N 1 0 356.785 2.136 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000829267586 675872929 /nfs/dbraw/zinc/87/29/29/675872929.db2.gz XNFPNPOPYYNQSR-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829493533 675880941 /nfs/dbraw/zinc/88/09/41/675880941.db2.gz XBBNFDLMLLCBES-UHFFFAOYSA-N 1 0 351.407 2.331 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619480417 676379793 /nfs/dbraw/zinc/37/97/93/676379793.db2.gz LRLKMPFMPFCXPQ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619486217 676380342 /nfs/dbraw/zinc/38/03/42/676380342.db2.gz ZJAQNNQNPCQSQZ-STQMWFEESA-N 1 0 371.459 2.097 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000619488457 676380535 /nfs/dbraw/zinc/38/05/35/676380535.db2.gz DBWOSFJBVHVTIW-UHFFFAOYSA-N 1 0 373.475 2.391 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619871314 676397871 /nfs/dbraw/zinc/39/78/71/676397871.db2.gz BGVABXXJUUPKAB-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO CON1CCC([N@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839617705 680767051 /nfs/dbraw/zinc/76/70/51/680767051.db2.gz ARGKGPBGDMMXCQ-UHFFFAOYSA-N 1 0 356.810 2.144 20 5 FEBDRO C[N@H+](C[C@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653685 680769288 /nfs/dbraw/zinc/76/92/88/680769288.db2.gz BZKKIOBWAWVGFN-YGRLFVJLSA-N 1 0 365.327 2.382 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839715273 680774012 /nfs/dbraw/zinc/77/40/12/680774012.db2.gz CMRPXGYYGDHIFQ-RBDSIQFVSA-N 1 0 355.797 2.253 20 5 FEBDRO C[NH+]1CCC(CNC(=S)NNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000840789362 680842875 /nfs/dbraw/zinc/84/28/75/680842875.db2.gz CLRUMOGEQOBXOQ-UHFFFAOYSA-N 1 0 357.867 2.381 20 5 FEBDRO C[NH+](C)CCNC(=S)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840865072 680847898 /nfs/dbraw/zinc/84/78/98/680847898.db2.gz SEXSQCYZFQEHTN-NSHDSACASA-N 1 0 368.356 2.363 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC000831605855 680010545 /nfs/dbraw/zinc/01/05/45/680010545.db2.gz FSSZBPMBXRGWQA-MRVPVSSYSA-N 1 0 370.258 2.378 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000832742583 680171408 /nfs/dbraw/zinc/17/14/08/680171408.db2.gz KPOPMZVSDFXYOQ-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC1(C)C ZINC000832756394 680173124 /nfs/dbraw/zinc/17/31/24/680173124.db2.gz NIUXSWBWYMVCQZ-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827623 680273806 /nfs/dbraw/zinc/27/38/06/680273806.db2.gz KPXAPFMSLVKQCO-DGCLKSJQSA-N 1 0 361.423 2.399 20 5 FEBDRO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429722 680332431 /nfs/dbraw/zinc/33/24/31/680332431.db2.gz UTHNITLTXSSEIM-HZPDHXFCSA-N 1 0 351.834 2.394 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000996429752 680332443 /nfs/dbraw/zinc/33/24/43/680332443.db2.gz WCCGSGJZFZAVHW-UKRRQHHQSA-N 1 0 355.797 2.225 20 5 FEBDRO O=C(OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842304767 680937664 /nfs/dbraw/zinc/93/76/64/680937664.db2.gz LIXNATPRCDRXOF-DJSGYFEHSA-N 1 0 354.353 2.385 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000842483118 680950028 /nfs/dbraw/zinc/95/00/28/680950028.db2.gz ZFKOFPKMVRNWGT-KBPBESRZSA-N 1 0 371.434 2.338 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842873592 680972877 /nfs/dbraw/zinc/97/28/77/680972877.db2.gz KJSDEZMUHQXKFK-QWHCGFSZSA-N 1 0 371.434 2.134 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769390254 680980502 /nfs/dbraw/zinc/98/05/02/680980502.db2.gz SOTMTCGNVQPGPI-HIFRSBDPSA-N 1 0 351.403 2.227 20 5 FEBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843102484 680987782 /nfs/dbraw/zinc/98/77/82/680987782.db2.gz XBWPTJWPFYRVHQ-XNRPHZJLSA-N 1 0 350.371 2.029 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000843284622 680995572 /nfs/dbraw/zinc/99/55/72/680995572.db2.gz ZGVFXVIQDVAFSI-UHFFFAOYSA-N 1 0 350.444 2.088 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000843759088 681016837 /nfs/dbraw/zinc/01/68/37/681016837.db2.gz GUKIFWUYSRXVLG-RYUDHWBXSA-N 1 0 353.394 2.271 20 5 FEBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640983 681069632 /nfs/dbraw/zinc/06/96/32/681069632.db2.gz MMUUBEXGQFOWJN-JLLWLGSASA-N 1 0 350.375 2.365 20 5 FEBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640982 681069659 /nfs/dbraw/zinc/06/96/59/681069659.db2.gz MMUUBEXGQFOWJN-ADEWGFFLSA-N 1 0 350.375 2.365 20 5 FEBDRO CC[C@@H](CSC)[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000773260621 681133353 /nfs/dbraw/zinc/13/33/53/681133353.db2.gz YMTMLUXJEAHQOC-LBPRGKRZSA-N 1 0 366.443 2.394 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000845768382 681151214 /nfs/dbraw/zinc/15/12/14/681151214.db2.gz MUXDJQCOHGMLFL-UHFFFAOYSA-N 1 0 352.391 2.226 20 5 FEBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774154283 681170635 /nfs/dbraw/zinc/17/06/35/681170635.db2.gz DKXRSFQXOVVGRY-STQMWFEESA-N 1 0 353.423 2.389 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000846015217 681173372 /nfs/dbraw/zinc/17/33/72/681173372.db2.gz YQDYDFFNIGJICS-UHFFFAOYSA-N 1 0 370.837 2.281 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000846232836 681206594 /nfs/dbraw/zinc/20/65/94/681206594.db2.gz YUEFQOWVFJEEHD-NHYWBVRUSA-N 1 0 373.862 2.306 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000846615288 681268271 /nfs/dbraw/zinc/26/82/71/681268271.db2.gz ZLARHVQSZXPTNM-UHFFFAOYSA-N 1 0 352.410 2.358 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000933875798 681477971 /nfs/dbraw/zinc/47/79/71/681477971.db2.gz DURCDESGYLIRTF-WBVHZDCISA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000933996618 681494944 /nfs/dbraw/zinc/49/49/44/681494944.db2.gz XQWQPDXOGRDAAP-AWEZNQCLSA-N 1 0 365.821 2.172 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)(F)F ZINC000848439506 681541508 /nfs/dbraw/zinc/54/15/08/681541508.db2.gz QVZJDSQGWJFLKT-CYBMUJFWSA-N 1 0 360.336 2.205 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1C ZINC000848734439 681612220 /nfs/dbraw/zinc/61/22/20/681612220.db2.gz CTLJDUFRQFCLAK-OKILXGFUSA-N 1 0 352.435 2.322 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000849430097 681731180 /nfs/dbraw/zinc/73/11/80/681731180.db2.gz ZVFJEMIPQCTLTM-MRVPVSSYSA-N 1 0 353.803 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000779872333 681762883 /nfs/dbraw/zinc/76/28/83/681762883.db2.gz AUGIMJHGODDDGE-VXGBXAGGSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(NCC12CC(C1)C[NH2+]2)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850730557 681949702 /nfs/dbraw/zinc/94/97/02/681949702.db2.gz SCCKMPWVIVGJRG-UHFFFAOYSA-N 1 0 355.192 2.231 20 5 FEBDRO C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000914770998 685509598 /nfs/dbraw/zinc/50/95/98/685509598.db2.gz DUBWROSTRHZKFG-MRVPVSSYSA-N 1 0 355.338 2.250 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCC(OC)OC)CC2)ccc1[N+](=O)[O-] ZINC000852002655 682200914 /nfs/dbraw/zinc/20/09/14/682200914.db2.gz QBNXUPCTBHGCFV-UHFFFAOYSA-N 1 0 353.419 2.125 20 5 FEBDRO O=C(CC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852345921 682264753 /nfs/dbraw/zinc/26/47/53/682264753.db2.gz OSHCCWKOCYRQMA-MBNYWOFBSA-N 1 0 351.378 2.155 20 5 FEBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000854571906 682566545 /nfs/dbraw/zinc/56/65/45/682566545.db2.gz ZPKGKYOOERYTLC-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855163116 682634363 /nfs/dbraw/zinc/63/43/63/682634363.db2.gz SPHIJWAOOYVVGF-GFCCVEGCSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000790451439 682678560 /nfs/dbraw/zinc/67/85/60/682678560.db2.gz RUDJXDZAAARQNU-CQSZACIVSA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000856254412 682758405 /nfs/dbraw/zinc/75/84/05/682758405.db2.gz BNAVEGGKDRMGKH-ZDUSSCGKSA-N 1 0 367.833 2.228 20 5 FEBDRO CC1(C)CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000856744247 682803205 /nfs/dbraw/zinc/80/32/05/682803205.db2.gz KXOVSXBRYMOEIF-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857235336 682867562 /nfs/dbraw/zinc/86/75/62/682867562.db2.gz QNUURXHEXAUPPA-IINYFYTJSA-N 1 0 359.835 2.059 20 5 FEBDRO O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766632 682911192 /nfs/dbraw/zinc/91/11/92/682911192.db2.gz RGYRTMXKTPAURM-OAHLLOKOSA-N 1 0 355.341 2.169 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000926493202 683132458 /nfs/dbraw/zinc/13/24/58/683132458.db2.gz PCIZBCSZYXBJJF-QWHCGFSZSA-N 1 0 355.460 2.306 20 5 FEBDRO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796571716 683173024 /nfs/dbraw/zinc/17/30/24/683173024.db2.gz WHYHQHPTPXXPMB-CQSZACIVSA-N 1 0 353.423 2.124 20 5 FEBDRO C[C@H](C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097969 683201709 /nfs/dbraw/zinc/20/17/09/683201709.db2.gz XFAMFPGCJCKJHL-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000919853941 683304024 /nfs/dbraw/zinc/30/40/24/683304024.db2.gz QAAFAIIHJAZNMB-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928093756 683383267 /nfs/dbraw/zinc/38/32/67/683383267.db2.gz NNHJSTCXBSVQOR-HIFRSBDPSA-N 1 0 365.455 2.060 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929212165 683562919 /nfs/dbraw/zinc/56/29/19/683562919.db2.gz NWNONXWUBPYVDR-KGLIPLIRSA-N 1 0 368.821 2.311 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000866804488 684156397 /nfs/dbraw/zinc/15/63/97/684156397.db2.gz YEIADXQGMRFQFQ-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1F ZINC000867262310 684234638 /nfs/dbraw/zinc/23/46/38/684234638.db2.gz TUHCUHQLNILQAV-STQMWFEESA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308593 684244259 /nfs/dbraw/zinc/24/42/59/684244259.db2.gz KTYMABSTNUIMLH-KWQFWETISA-N 1 0 365.814 2.100 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000867743861 684370913 /nfs/dbraw/zinc/37/09/13/684370913.db2.gz ILOFJTKCBDFVHE-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[N@H+]1CC=CCC1 ZINC000867921282 684426481 /nfs/dbraw/zinc/42/64/81/684426481.db2.gz IPOJJSQCVKYGMR-UHFFFAOYSA-N 1 0 368.231 2.278 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000873312707 685108989 /nfs/dbraw/zinc/10/89/89/685108989.db2.gz DXAXEDOBDSKCSF-LKFCYVNXSA-N 1 0 369.219 2.431 20 5 FEBDRO C[C@@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[NH2+]1 ZINC000877050248 686318711 /nfs/dbraw/zinc/31/87/11/686318711.db2.gz GWIRYFBJTXSGLK-APPZFPTMSA-N 1 0 360.183 2.367 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280208 686347819 /nfs/dbraw/zinc/34/78/19/686347819.db2.gz UOIITBZGBOCMSM-QWRGUYRKSA-N 1 0 372.194 2.463 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877278206 686347912 /nfs/dbraw/zinc/34/79/12/686347912.db2.gz RJPPSRZNODJHTN-CHWSQXEVSA-N 1 0 354.204 2.324 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877370141 686367388 /nfs/dbraw/zinc/36/73/88/686367388.db2.gz RCFZVXSFFLDLJU-WDEREUQCSA-N 1 0 361.320 2.203 20 5 FEBDRO COC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000877707399 686441717 /nfs/dbraw/zinc/44/17/17/686441717.db2.gz RWLVVUIQXWUYPA-KRWDZBQOSA-N 1 0 350.371 2.283 20 5 FEBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000879706242 686891950 /nfs/dbraw/zinc/89/19/50/686891950.db2.gz MGEBOYSPAYORCE-UHFFFAOYSA-N 1 0 352.387 2.089 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133975 687004122 /nfs/dbraw/zinc/00/41/22/687004122.db2.gz KJQFZGRDYTWYHA-KGLIPLIRSA-N 1 0 352.822 2.355 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000881784898 687215078 /nfs/dbraw/zinc/21/50/78/687215078.db2.gz QDBCCONFZCNNQQ-LLVKDONJSA-N 1 0 373.862 2.319 20 5 FEBDRO COc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000882726450 687458070 /nfs/dbraw/zinc/45/80/70/687458070.db2.gz VAXGXTCZJJGUMT-CYBMUJFWSA-N 1 0 353.394 2.480 20 5 FEBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000882769298 687480690 /nfs/dbraw/zinc/48/06/90/687480690.db2.gz PVJKRVVTOSSSKA-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1C ZINC000882769370 687481629 /nfs/dbraw/zinc/48/16/29/687481629.db2.gz STCPOKHINKDIHH-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c(C)c1[N+](=O)[O-] ZINC000883479370 687643286 /nfs/dbraw/zinc/64/32/86/687643286.db2.gz VZFZRIMGHUYGCN-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO CN1CC[NH+](CC2CN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])C2)CC1 ZINC000884547461 687889038 /nfs/dbraw/zinc/88/90/38/687889038.db2.gz MCGMFXVIEDUOCD-UHFFFAOYSA-N 1 0 358.364 2.297 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899781 688336541 /nfs/dbraw/zinc/33/65/41/688336541.db2.gz URMHAYGRNYHBKH-HNNXBMFYSA-N 1 0 373.862 2.403 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1SC ZINC000887933218 688522870 /nfs/dbraw/zinc/52/28/70/688522870.db2.gz IBRSCWHSCNSSOS-APPDUMDISA-N 1 0 365.455 2.349 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891757313 689102746 /nfs/dbraw/zinc/10/27/46/689102746.db2.gz HNQLAFLSGWRQLQ-HOCLYGCPSA-N 1 0 352.822 2.375 20 5 FEBDRO O=C(NCCC[NH2+]C1CC1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000891966774 689132957 /nfs/dbraw/zinc/13/29/57/689132957.db2.gz WWUOUXUFRGUZHR-UHFFFAOYSA-N 1 0 371.235 2.299 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000895010153 689639546 /nfs/dbraw/zinc/63/95/46/689639546.db2.gz LXBZZTUQHJCQSV-INIZCTEOSA-N 1 0 350.806 2.299 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526368 689885243 /nfs/dbraw/zinc/88/52/43/689885243.db2.gz WKFVSCZWDROEMS-SNVBAGLBSA-N 1 0 363.340 2.012 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218243 689989603 /nfs/dbraw/zinc/98/96/03/689989603.db2.gz BPFFYISQCWYHAQ-OLZOCXBDSA-N 1 0 360.336 2.044 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)o2)c1 ZINC000897618219 690050181 /nfs/dbraw/zinc/05/01/81/690050181.db2.gz BEQVEUUKQJPMLW-OKILXGFUSA-N 1 0 362.407 2.331 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117887 690130716 /nfs/dbraw/zinc/13/07/16/690130716.db2.gz RECRSERAIPHCCF-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(C3CC[NH2+]CC3)nn2)c1 ZINC000900595683 690536376 /nfs/dbraw/zinc/53/63/76/690536376.db2.gz KWHGARZFWANVEE-UHFFFAOYSA-N 1 0 366.219 2.464 20 5 FEBDRO [NH3+]CCSCc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595887 690536402 /nfs/dbraw/zinc/53/64/02/690536402.db2.gz UBOXEWAVXLNHFW-UHFFFAOYSA-N 1 0 372.248 2.189 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900994349 690598287 /nfs/dbraw/zinc/59/82/87/690598287.db2.gz QCLYAUNQQAXGKF-NSHDSACASA-N 1 0 361.801 2.474 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000902980865 690826763 /nfs/dbraw/zinc/82/67/63/690826763.db2.gz VNMQYEHJUWBEFT-ZDUSSCGKSA-N 1 0 352.366 2.109 20 5 FEBDRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000903484734 690898903 /nfs/dbraw/zinc/89/89/03/690898903.db2.gz CVDNBKGJTWYOBZ-CQSZACIVSA-N 1 0 352.822 2.451 20 5 FEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908261652 691646886 /nfs/dbraw/zinc/64/68/86/691646886.db2.gz LJDCXPOLQYLDPO-LBPRGKRZSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164927597 721858720 /nfs/dbraw/zinc/85/87/20/721858720.db2.gz LNUSJQTVQYUVSL-UONOGXRCSA-N 1 0 353.854 2.166 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000521856961 889578481 /nfs/dbraw/zinc/57/84/81/889578481.db2.gz ZEXAFPVLEPBTEH-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO CC[NH+]1CCC(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000011527076 539529577 /nfs/dbraw/zinc/52/95/77/539529577.db2.gz RFOAFWVRYGOYTM-UHFFFAOYSA-N 1 0 360.458 2.412 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026160259 539779072 /nfs/dbraw/zinc/77/90/72/539779072.db2.gz GXBMJLJTXUNZPK-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 ZINC000028813943 539837720 /nfs/dbraw/zinc/83/77/20/539837720.db2.gz CTZTUGNVMGXFKZ-UHFFFAOYSA-N 1 0 358.398 2.055 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000029167204 539845745 /nfs/dbraw/zinc/84/57/45/539845745.db2.gz RGJDWPHWHSKVOA-MRXNPFEDSA-N 1 0 358.398 2.096 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029966181 539870508 /nfs/dbraw/zinc/87/05/08/539870508.db2.gz DZPCRKWAMXDYPZ-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(OC)c1 ZINC000076267501 542252061 /nfs/dbraw/zinc/25/20/61/542252061.db2.gz MPILJTWLBXKRDJ-AWEZNQCLSA-N 1 0 360.418 2.471 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041604706 540026871 /nfs/dbraw/zinc/02/68/71/540026871.db2.gz ZXUHJXQTWBLIEJ-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000041651455 540029133 /nfs/dbraw/zinc/02/91/33/540029133.db2.gz RVGUJJVWMJRMLO-JSGCOSHPSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000041651437 540029439 /nfs/dbraw/zinc/02/94/39/540029439.db2.gz JUHDRTIKAOMDCG-GXTWGEPZSA-N 1 0 362.430 2.078 20 5 FEBDRO CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000041783889 540032904 /nfs/dbraw/zinc/03/29/04/540032904.db2.gz HQEXCXSWKRIFDA-UHFFFAOYSA-N 1 0 362.430 2.162 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000044582254 540132219 /nfs/dbraw/zinc/13/22/19/540132219.db2.gz RYRRTECLEOBIFK-STQMWFEESA-N 1 0 363.414 2.421 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000046280171 540251220 /nfs/dbraw/zinc/25/12/20/540251220.db2.gz QNDLMROMHBPZTK-OAHLLOKOSA-N 1 0 363.462 2.157 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046811714 540271850 /nfs/dbraw/zinc/27/18/50/540271850.db2.gz AYEQQTWRVZAKJJ-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046980742 540281589 /nfs/dbraw/zinc/28/15/89/540281589.db2.gz OUOIPMZDDZZYLU-HNNXBMFYSA-N 1 0 371.441 2.340 20 5 FEBDRO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057702321 540808903 /nfs/dbraw/zinc/80/89/03/540808903.db2.gz JDCAANZHENSNLX-GFCCVEGCSA-N 1 0 357.414 2.208 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000057713891 540810470 /nfs/dbraw/zinc/81/04/70/540810470.db2.gz GZKNPMOORPRTFD-SECBINFHSA-N 1 0 373.356 2.417 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000058231037 540835107 /nfs/dbraw/zinc/83/51/07/540835107.db2.gz XKOBTQQEWQWGMW-ZIAGYGMSSA-N 1 0 372.429 2.168 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000058610977 540851075 /nfs/dbraw/zinc/85/10/75/540851075.db2.gz WDDSCBTWCMLCMV-MRXNPFEDSA-N 1 0 370.475 2.035 20 5 FEBDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000060089891 540868388 /nfs/dbraw/zinc/86/83/88/540868388.db2.gz AHVJOVQZSKUGLO-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO CC[NH+](CC)Cc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000065769714 541260047 /nfs/dbraw/zinc/26/00/47/541260047.db2.gz MZFRUBAUBXZLHA-UHFFFAOYSA-N 1 0 359.430 2.340 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067133989 541421856 /nfs/dbraw/zinc/42/18/56/541421856.db2.gz ODYOZLIXUOHYSF-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000067717094 541504422 /nfs/dbraw/zinc/50/44/22/541504422.db2.gz USQWBULOGISVJE-UHFFFAOYSA-N 1 0 367.471 2.373 20 5 FEBDRO CC(C)CCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000067949571 541531999 /nfs/dbraw/zinc/53/19/99/541531999.db2.gz XTFBEOCYRPQBOG-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068211438 541563514 /nfs/dbraw/zinc/56/35/14/541563514.db2.gz PSTNWNBKTWHFDM-GRYCIOLGSA-N 1 0 352.410 2.412 20 5 FEBDRO COc1cc(OCC(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000068855958 541635171 /nfs/dbraw/zinc/63/51/71/541635171.db2.gz BAMNKXYGVSMTER-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000068882739 541636442 /nfs/dbraw/zinc/63/64/42/541636442.db2.gz SSHMNGJFSKTKKS-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000068902907 541639554 /nfs/dbraw/zinc/63/95/54/541639554.db2.gz VFYULEMGHGUTMO-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000069139338 541661784 /nfs/dbraw/zinc/66/17/84/541661784.db2.gz WZFGIWNVDOZBIS-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069430946 541686273 /nfs/dbraw/zinc/68/62/73/541686273.db2.gz PRQHSNQMASOCTG-UHFFFAOYSA-N 1 0 350.419 2.005 20 5 FEBDRO CNC(=O)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665164 541847293 /nfs/dbraw/zinc/84/72/93/541847293.db2.gz BOXUVDARVCWMMD-HNNXBMFYSA-N 1 0 355.398 2.036 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072834500 541877467 /nfs/dbraw/zinc/87/74/67/541877467.db2.gz RDJLPYLCZVEZNW-HNNXBMFYSA-N 1 0 362.430 2.309 20 5 FEBDRO C[NH+]1CCN(CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000073002445 541907246 /nfs/dbraw/zinc/90/72/46/541907246.db2.gz ZUWOLTNRQMVREC-UHFFFAOYSA-N 1 0 362.455 2.177 20 5 FEBDRO CCC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000073394364 541948721 /nfs/dbraw/zinc/94/87/21/541948721.db2.gz PMCKDNVDENRFSW-CYBMUJFWSA-N 1 0 372.491 2.425 20 5 FEBDRO C[C@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000075749165 542202904 /nfs/dbraw/zinc/20/29/04/542202904.db2.gz AIUQNMWDVLXJOP-XOKHGSTOSA-N 1 0 362.455 2.331 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000075721183 542201379 /nfs/dbraw/zinc/20/13/79/542201379.db2.gz BMSVIWQSRSJZCM-LJQANCHMSA-N 1 0 374.441 2.081 20 5 FEBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403921 542275239 /nfs/dbraw/zinc/27/52/39/542275239.db2.gz MGTZWUPXPFPDLP-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000076484278 542284219 /nfs/dbraw/zinc/28/42/19/542284219.db2.gz BYWXTIWTSYDTDN-IUODEOHRSA-N 1 0 363.414 2.168 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000077005921 542342437 /nfs/dbraw/zinc/34/24/37/542342437.db2.gz JIFMDNUVOFTTOI-OAHLLOKOSA-N 1 0 355.822 2.071 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 ZINC000078262987 542450977 /nfs/dbraw/zinc/45/09/77/542450977.db2.gz OBBSLJWOCVDGNQ-CQSZACIVSA-N 1 0 370.400 2.412 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000078643751 542473780 /nfs/dbraw/zinc/47/37/80/542473780.db2.gz KRFMTLMPMKOOFY-UHFFFAOYSA-N 1 0 355.460 2.120 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000079817434 542543128 /nfs/dbraw/zinc/54/31/28/542543128.db2.gz DDQKJZJZHCMWPI-UHFFFAOYSA-N 1 0 360.418 2.410 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154526 542569519 /nfs/dbraw/zinc/56/95/19/542569519.db2.gz XVRGIONVYAEPRL-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087356815 542744966 /nfs/dbraw/zinc/74/49/66/542744966.db2.gz CVNPRVWJCCWYKF-JTQLQIEISA-N 1 0 358.236 2.356 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000090910030 542789013 /nfs/dbraw/zinc/78/90/13/542789013.db2.gz HTYXZERLBQOTOQ-ZDUSSCGKSA-N 1 0 363.439 2.396 20 5 FEBDRO COCCCNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092361890 542859872 /nfs/dbraw/zinc/85/98/72/542859872.db2.gz FBPXHLLSDPQQRQ-QPJJXVBHSA-N 1 0 361.442 2.473 20 5 FEBDRO COc1ccc(-c2ccc(C[N@H+](C)CC(C)(CO)CO)o2)c([N+](=O)[O-])c1 ZINC000093502728 542931897 /nfs/dbraw/zinc/93/18/97/542931897.db2.gz OHIDNJPQFSTXNE-UHFFFAOYSA-N 1 0 364.398 2.286 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000102335539 543065613 /nfs/dbraw/zinc/06/56/13/543065613.db2.gz YZMDEHPKPHHOOT-OAHLLOKOSA-N 1 0 363.393 2.085 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCC2)cc1SC ZINC000103115930 543092593 /nfs/dbraw/zinc/09/25/93/543092593.db2.gz LAFBIVGTPVDUHR-UHFFFAOYSA-N 1 0 353.444 2.493 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)c1 ZINC000104518604 543133546 /nfs/dbraw/zinc/13/35/46/543133546.db2.gz QXNRYANDDPPORH-UHFFFAOYSA-N 1 0 362.411 2.331 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106380390 543226599 /nfs/dbraw/zinc/22/65/99/543226599.db2.gz LBNMCKFQBSXJNH-AWEZNQCLSA-N 1 0 357.357 2.149 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000106804236 543248143 /nfs/dbraw/zinc/24/81/43/543248143.db2.gz FVZPVGFWFSEYSR-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891518 543252978 /nfs/dbraw/zinc/25/29/78/543252978.db2.gz CBBYUTQGTYXSDQ-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000107685896 543275777 /nfs/dbraw/zinc/27/57/77/543275777.db2.gz RHASDFGCEBRTAG-UHFFFAOYSA-N 1 0 361.442 2.145 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108401247 543288864 /nfs/dbraw/zinc/28/88/64/543288864.db2.gz CQYLJHNOBZRSIZ-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO CCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)N(C)C ZINC000109103576 543313991 /nfs/dbraw/zinc/31/39/91/543313991.db2.gz DPBJBJDOVLKPII-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109108183 543314050 /nfs/dbraw/zinc/31/40/50/543314050.db2.gz FSWOEFQWGDEJEC-OAHLLOKOSA-N 1 0 363.462 2.411 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000110994976 543378213 /nfs/dbraw/zinc/37/82/13/543378213.db2.gz SKPOIKNLLYFRCO-INIZCTEOSA-N 1 0 372.429 2.088 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292372 543392999 /nfs/dbraw/zinc/39/29/99/543392999.db2.gz WINOFJAFWBJZCI-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112922020 543468455 /nfs/dbraw/zinc/46/84/55/543468455.db2.gz CLPAVSMEAGEFQL-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112921597 543468587 /nfs/dbraw/zinc/46/85/87/543468587.db2.gz MDCKUJFQEIJQNH-UHFFFAOYSA-N 1 0 368.865 2.346 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000116907562 543619299 /nfs/dbraw/zinc/61/92/99/543619299.db2.gz JNIHKUJWLGTUMX-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO Cc1cc(C)cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922643 543619919 /nfs/dbraw/zinc/61/99/19/543619919.db2.gz LCQVXSVIXVHDFE-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121782516 543699351 /nfs/dbraw/zinc/69/93/51/543699351.db2.gz PTIVIUYQKXQMCI-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000123791378 543783488 /nfs/dbraw/zinc/78/34/88/543783488.db2.gz LRASCVSPZHMPLA-GDBMZVCRSA-N 1 0 371.441 2.453 20 5 FEBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000125514089 543886722 /nfs/dbraw/zinc/88/67/22/543886722.db2.gz CVRVQJTZZPBBSP-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO Cn1cc(C[NH+]2CCC3(CC2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126056634 543915732 /nfs/dbraw/zinc/91/57/32/543915732.db2.gz ZDXALXSVZWNSGV-UHFFFAOYSA-N 1 0 358.398 2.334 20 5 FEBDRO C[NH+]1CCN([C@@H]2CCCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000127041336 543969562 /nfs/dbraw/zinc/96/95/62/543969562.db2.gz RMJDIVNKGRNDPM-CYBMUJFWSA-N 1 0 353.854 2.250 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833242 544166871 /nfs/dbraw/zinc/16/68/71/544166871.db2.gz URFCIHIFEJOWQN-WDEREUQCSA-N 1 0 373.356 2.339 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131679150 544201770 /nfs/dbraw/zinc/20/17/70/544201770.db2.gz HTIDBMSTEUPPFU-ZDUSSCGKSA-N 1 0 355.822 2.215 20 5 FEBDRO C[C@](CO)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000133005008 544252276 /nfs/dbraw/zinc/25/22/76/544252276.db2.gz JCPFFBQTXDFKAI-SJLPKXTDSA-N 1 0 352.431 2.255 20 5 FEBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000134512860 544311016 /nfs/dbraw/zinc/31/10/16/544311016.db2.gz GKKSFRYCMWTDLL-OAHLLOKOSA-N 1 0 357.414 2.096 20 5 FEBDRO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452957 544347355 /nfs/dbraw/zinc/34/73/55/544347355.db2.gz WIDZTIIFAUBGKF-CVEARBPZSA-N 1 0 358.398 2.070 20 5 FEBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCN(C)CC1 ZINC000139814014 544405269 /nfs/dbraw/zinc/40/52/69/544405269.db2.gz YMLFFSUCVWQBII-LBPRGKRZSA-N 1 0 369.853 2.253 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137064828 544383891 /nfs/dbraw/zinc/38/38/91/544383891.db2.gz MLLVTUOJBVSUPN-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148949555 544453725 /nfs/dbraw/zinc/45/37/25/544453725.db2.gz DQYBYIKANAQTHK-UHFFFAOYSA-N 1 0 355.398 2.091 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151605190 544561230 /nfs/dbraw/zinc/56/12/30/544561230.db2.gz UEYQPSMEDNTOPT-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000151897279 544593639 /nfs/dbraw/zinc/59/36/39/544593639.db2.gz ZBSGOLFCDJQBEH-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO CC[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000152497839 544661938 /nfs/dbraw/zinc/66/19/38/544661938.db2.gz KNLYKOGZUWCAJP-MRXNPFEDSA-N 1 0 364.446 2.144 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000154459796 544908952 /nfs/dbraw/zinc/90/89/52/544908952.db2.gz PDIFXWCIAFXJJY-YESZJQIVSA-N 1 0 362.382 2.046 20 5 FEBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979171 327619568 /nfs/dbraw/zinc/61/95/68/327619568.db2.gz VVTPSQYFNIDWQL-YGRLFVJLSA-N 1 0 361.851 2.434 20 5 FEBDRO C[NH+](C)CC1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180192783 327675503 /nfs/dbraw/zinc/67/55/03/327675503.db2.gz GAIIMUCXRHNBSB-UHFFFAOYSA-N 1 0 369.487 2.177 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000181028314 327713177 /nfs/dbraw/zinc/71/31/77/327713177.db2.gz OXBGKUXPAUAYNW-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO CC(C)OC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181834796 327748707 /nfs/dbraw/zinc/74/87/07/327748707.db2.gz FHELTKHWEKKIEV-QGZVFWFLSA-N 1 0 373.409 2.429 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000184507579 327870855 /nfs/dbraw/zinc/87/08/55/327870855.db2.gz LIVWQEYCTJYKSU-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185432925 327916250 /nfs/dbraw/zinc/91/62/50/327916250.db2.gz VCMAZEFIEHSGHC-AWEZNQCLSA-N 1 0 365.430 2.363 20 5 FEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000186380335 327959230 /nfs/dbraw/zinc/95/92/30/327959230.db2.gz ZYGOFJCCEWGHAS-UHFFFAOYSA-N 1 0 358.442 2.481 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000188112678 328066977 /nfs/dbraw/zinc/06/69/77/328066977.db2.gz NCPIOSDKPFIEDD-UHFFFAOYSA-N 1 0 372.429 2.124 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188214923 328073897 /nfs/dbraw/zinc/07/38/97/328073897.db2.gz DPKCKWJFMBKIEO-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188622353 328099383 /nfs/dbraw/zinc/09/93/83/328099383.db2.gz KIYZGCYCEGVOTH-AWEZNQCLSA-N 1 0 363.458 2.437 20 5 FEBDRO O=C(CCN1CCC[N@@H+](C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188911419 328117509 /nfs/dbraw/zinc/11/75/09/328117509.db2.gz WHOGNRVRJGONHT-UHFFFAOYSA-N 1 0 350.394 2.233 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000189129472 328130215 /nfs/dbraw/zinc/13/02/15/328130215.db2.gz UNQONJYSOQIDLZ-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO CCOCCOCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190293288 328198739 /nfs/dbraw/zinc/19/87/39/328198739.db2.gz ROYHTUMEJRFQTD-AWEZNQCLSA-N 1 0 353.419 2.215 20 5 FEBDRO [NH3+][C@@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000191324129 328260234 /nfs/dbraw/zinc/26/02/34/328260234.db2.gz UGPXFOQULLYYKG-LLVKDONJSA-N 1 0 360.336 2.365 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000192155083 328303401 /nfs/dbraw/zinc/30/34/01/328303401.db2.gz GSLIUDXVZLZIMB-HOCLYGCPSA-N 1 0 363.805 2.006 20 5 FEBDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940056 328347914 /nfs/dbraw/zinc/34/79/14/328347914.db2.gz TVZCCSLCIPYFNQ-MSOLQXFVSA-N 1 0 361.442 2.445 20 5 FEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n(C)n1 ZINC000193010792 328351888 /nfs/dbraw/zinc/35/18/88/328351888.db2.gz LIEBEKCJKGSWOT-DLBZAZTESA-N 1 0 369.425 2.409 20 5 FEBDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n(C)n1 ZINC000193010751 328351996 /nfs/dbraw/zinc/35/19/96/328351996.db2.gz LIEBEKCJKGSWOT-SJORKVTESA-N 1 0 369.425 2.409 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000193306988 328368096 /nfs/dbraw/zinc/36/80/96/328368096.db2.gz XAHBBSOFFFRVSU-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000195152904 328458405 /nfs/dbraw/zinc/45/84/05/328458405.db2.gz PCNZFQHKCSSOQZ-UHFFFAOYSA-N 1 0 365.821 2.035 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236848620 328495995 /nfs/dbraw/zinc/49/59/95/328495995.db2.gz LRIGCAICZCCBCT-UHFFFAOYSA-N 1 0 371.441 2.457 20 5 FEBDRO COC(=O)c1cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000237089825 328504019 /nfs/dbraw/zinc/50/40/19/328504019.db2.gz JVMKUEQWWYJEBR-INIZCTEOSA-N 1 0 355.350 2.034 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000237205566 328508554 /nfs/dbraw/zinc/50/85/54/328508554.db2.gz ZIRRWHKGUHDYPJ-UHFFFAOYSA-N 1 0 371.459 2.194 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237214877 328508879 /nfs/dbraw/zinc/50/88/79/328508879.db2.gz OYSWGMNBVRRDAI-JSGCOSHPSA-N 1 0 367.471 2.422 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000077821874 325019749 /nfs/dbraw/zinc/01/97/49/325019749.db2.gz JVVZHUAABJWSMC-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237303885 328511549 /nfs/dbraw/zinc/51/15/49/328511549.db2.gz YVXPGFMIMFUZSE-NWDGAFQWSA-N 1 0 355.822 2.474 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078351263 325043267 /nfs/dbraw/zinc/04/32/67/325043267.db2.gz FTBGEOWSNXVDCZ-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000081332585 325170153 /nfs/dbraw/zinc/17/01/53/325170153.db2.gz CBPSXFRDUSYVND-AWEZNQCLSA-N 1 0 365.430 2.173 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000081337220 325170395 /nfs/dbraw/zinc/17/03/95/325170395.db2.gz DPRPVUWYGKPDPY-CYBMUJFWSA-N 1 0 372.425 2.240 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[NH+]1CCCC1 ZINC000087006816 325269169 /nfs/dbraw/zinc/26/91/69/325269169.db2.gz DMTBPJCMWOAFPY-UHFFFAOYSA-N 1 0 356.220 2.112 20 5 FEBDRO [NH3+][C@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237843759 328530847 /nfs/dbraw/zinc/53/08/47/328530847.db2.gz NTDJPBTXPLKKQM-GOEBONIOSA-N 1 0 355.398 2.093 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1C ZINC000237868888 328532085 /nfs/dbraw/zinc/53/20/85/328532085.db2.gz MOZVLRSBWLVYDK-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000090550880 325362561 /nfs/dbraw/zinc/36/25/61/325362561.db2.gz OBXAVXZKZURNRW-KRWDZBQOSA-N 1 0 357.410 2.295 20 5 FEBDRO Cn1cc(C[NH2+]Cc2ccc(C(N)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237931993 328534626 /nfs/dbraw/zinc/53/46/26/328534626.db2.gz XYAVZMIMDFTKGU-UHFFFAOYSA-N 1 0 365.393 2.384 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000116922498 326042212 /nfs/dbraw/zinc/04/22/12/326042212.db2.gz PJWIWIXHUVLEDP-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO Cc1cc(F)ccc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922531 326042293 /nfs/dbraw/zinc/04/22/93/326042293.db2.gz VGISNJQQVODJQP-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000119852470 326205524 /nfs/dbraw/zinc/20/55/24/326205524.db2.gz SKDOLHNTFJSKBI-IUODEOHRSA-N 1 0 362.430 2.030 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000120204525 326240755 /nfs/dbraw/zinc/24/07/55/326240755.db2.gz KJGUWNAWVLWKIH-CQSZACIVSA-N 1 0 355.460 2.241 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000120679598 326278152 /nfs/dbraw/zinc/27/81/52/326278152.db2.gz GDNDYMGDWZEINT-CMPLNLGQSA-N 1 0 368.821 2.128 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)O1 ZINC000121354846 326332053 /nfs/dbraw/zinc/33/20/53/326332053.db2.gz FIKVMFOQROVYPD-ZIAGYGMSSA-N 1 0 372.425 2.372 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000121878691 326373505 /nfs/dbraw/zinc/37/35/05/326373505.db2.gz BOOMKNHKOQUEDJ-UHFFFAOYSA-N 1 0 361.373 2.491 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000121970025 326378890 /nfs/dbraw/zinc/37/88/90/326378890.db2.gz GRBQEERAUDKRSA-ZBFHGGJFSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc([N+](=O)[O-])c1 ZINC000122490687 326398811 /nfs/dbraw/zinc/39/88/11/326398811.db2.gz RBOCENGQEFCCJT-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000124447457 326454121 /nfs/dbraw/zinc/45/41/21/326454121.db2.gz RIPMFAJOMFHOSO-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000132997238 326601412 /nfs/dbraw/zinc/60/14/12/326601412.db2.gz QYVCLNWAZVVQPB-LBPRGKRZSA-N 1 0 366.296 2.246 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151605124 326686700 /nfs/dbraw/zinc/68/67/00/326686700.db2.gz UEYQPSMEDNTOPT-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO O=C(C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000153723219 326740980 /nfs/dbraw/zinc/74/09/80/326740980.db2.gz UMOULFFIKMMJJW-GOSISDBHSA-N 1 0 361.442 2.353 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000156217599 326822218 /nfs/dbraw/zinc/82/22/18/326822218.db2.gz OMECZCVXMCTTET-GXTWGEPZSA-N 1 0 357.414 2.195 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000162460351 327026204 /nfs/dbraw/zinc/02/62/04/327026204.db2.gz LVWBPSYDENFEKZ-IBGZPJMESA-N 1 0 368.437 2.376 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164139957 327065015 /nfs/dbraw/zinc/06/50/15/327065015.db2.gz CFYAMMMPWUHJFW-WFASDCNBSA-N 1 0 362.386 2.368 20 5 FEBDRO CC[C@H]([NH2+]CCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000164297559 327068203 /nfs/dbraw/zinc/06/82/03/327068203.db2.gz HLEIROUPTIEHBH-SFHVURJKSA-N 1 0 370.457 2.248 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000171445866 327139950 /nfs/dbraw/zinc/13/99/50/327139950.db2.gz VUUYNLUCINPDDF-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000171979971 327174141 /nfs/dbraw/zinc/17/41/41/327174141.db2.gz NSKCWMUOLNZUCJ-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000171980471 327174367 /nfs/dbraw/zinc/17/43/67/327174367.db2.gz GEPWYPOIDRPEEA-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000171980458 327174374 /nfs/dbraw/zinc/17/43/74/327174374.db2.gz AYTATYYTMOPKNT-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000172835739 327221636 /nfs/dbraw/zinc/22/16/36/327221636.db2.gz KNRXJWXMOAMBIY-CQSZACIVSA-N 1 0 372.429 2.122 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000173348717 327251143 /nfs/dbraw/zinc/25/11/43/327251143.db2.gz ATVNIGMLHXDZNO-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000173640298 327272975 /nfs/dbraw/zinc/27/29/75/327272975.db2.gz ROXMFMLIEXTCSN-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173827591 327287152 /nfs/dbraw/zinc/28/71/52/327287152.db2.gz POTRJMKWTZFGRQ-CHWSQXEVSA-N 1 0 373.862 2.496 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173883006 327291262 /nfs/dbraw/zinc/29/12/62/327291262.db2.gz SOVQJEUUXUNSKJ-UONOGXRCSA-N 1 0 364.446 2.204 20 5 FEBDRO COC(=O)c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000174172320 327310686 /nfs/dbraw/zinc/31/06/86/327310686.db2.gz FTYASHXMAGPLFW-GOOCMWNKSA-N 1 0 361.398 2.127 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174955358 327363399 /nfs/dbraw/zinc/36/33/99/327363399.db2.gz ZCUNFIDQDZLNHM-INIZCTEOSA-N 1 0 371.441 2.231 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175089659 327373497 /nfs/dbraw/zinc/37/34/97/327373497.db2.gz XCVRLCCGESFSJZ-WDEREUQCSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000175115420 327375133 /nfs/dbraw/zinc/37/51/33/327375133.db2.gz RGTNADHUIYQESY-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000175279818 327383972 /nfs/dbraw/zinc/38/39/72/327383972.db2.gz IKQVSAVFXJFUAI-HIFRSBDPSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000178688971 327600505 /nfs/dbraw/zinc/60/05/05/327600505.db2.gz LTIMIIMYJXTHAN-UKRRQHHQSA-N 1 0 357.414 2.401 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247545881 549354450 /nfs/dbraw/zinc/35/44/50/549354450.db2.gz YILCWGZIQKIPKK-WFASDCNBSA-N 1 0 363.414 2.326 20 5 FEBDRO C[NH2+][C@@H](C)CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000261846115 328823988 /nfs/dbraw/zinc/82/39/88/328823988.db2.gz WUJFAUGTIHMUDI-QMMMGPOBSA-N 1 0 372.212 2.425 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262186563 328849426 /nfs/dbraw/zinc/84/94/26/328849426.db2.gz BXJJDDDTMMQOFP-MRXNPFEDSA-N 1 0 361.423 2.069 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262901565 328898758 /nfs/dbraw/zinc/89/87/58/328898758.db2.gz PSBVZURKDIFBRF-GXSJLCMTSA-N 1 0 356.220 2.157 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000264583928 329037850 /nfs/dbraw/zinc/03/78/50/329037850.db2.gz WGZDVUSTTFDHSZ-GFCCVEGCSA-N 1 0 350.375 2.191 20 5 FEBDRO COC(=O)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000265205507 329102076 /nfs/dbraw/zinc/10/20/76/329102076.db2.gz KPKMQSJCDINFBF-UHFFFAOYSA-N 1 0 367.402 2.206 20 5 FEBDRO CCN(CC)C(=O)CN1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265515660 329135062 /nfs/dbraw/zinc/13/50/62/329135062.db2.gz LIVKXFLBCZSXOI-UHFFFAOYSA-N 1 0 369.853 2.024 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000267615682 329343660 /nfs/dbraw/zinc/34/36/60/329343660.db2.gz XNZDKUSOHHVDGR-OLZOCXBDSA-N 1 0 351.378 2.198 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267988185 329374400 /nfs/dbraw/zinc/37/44/00/329374400.db2.gz ZUMCGQDALGCGSW-MRVPVSSYSA-N 1 0 360.183 2.178 20 5 FEBDRO COc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000268151990 329390752 /nfs/dbraw/zinc/39/07/52/329390752.db2.gz GNUJCIHFZVEBSZ-CQSZACIVSA-N 1 0 366.437 2.349 20 5 FEBDRO Cc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156092 329391332 /nfs/dbraw/zinc/39/13/32/329391332.db2.gz HDOIUUDXJNCSJY-XPTSAGLGSA-N 1 0 362.386 2.332 20 5 FEBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000271154952 329667294 /nfs/dbraw/zinc/66/72/94/329667294.db2.gz AVHPHCMFGBZABF-CYBMUJFWSA-N 1 0 364.398 2.387 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000272485569 329784911 /nfs/dbraw/zinc/78/49/11/329784911.db2.gz JUCTZVILTOECEM-NSHDSACASA-N 1 0 359.423 2.085 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272597574 329795687 /nfs/dbraw/zinc/79/56/87/329795687.db2.gz UTNMZWMUQHZGOB-LBPRGKRZSA-N 1 0 361.427 2.300 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]12 ZINC000273500834 329869670 /nfs/dbraw/zinc/86/96/70/329869670.db2.gz YOGNCUDJFRKCKL-BKDNQFJXSA-N 1 0 372.194 2.306 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273973218 329906340 /nfs/dbraw/zinc/90/63/40/329906340.db2.gz VMDIZRSJEXEWSX-UHFFFAOYSA-N 1 0 372.385 2.138 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000274934212 329994222 /nfs/dbraw/zinc/99/42/22/329994222.db2.gz OYEUFSCAECNYNE-LZLYRXPVSA-N 1 0 360.414 2.277 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275135817 330014192 /nfs/dbraw/zinc/01/41/92/330014192.db2.gz SWGNLXRTXAWFTH-JTQLQIEISA-N 1 0 361.320 2.104 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000275341571 330037434 /nfs/dbraw/zinc/03/74/34/330037434.db2.gz VHWTWPKLWTWEOW-LBPRGKRZSA-N 1 0 354.838 2.384 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000275782831 330088527 /nfs/dbraw/zinc/08/85/27/330088527.db2.gz JSOOWYUDRDUURH-CYBMUJFWSA-N 1 0 368.865 2.312 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000276344735 330143013 /nfs/dbraw/zinc/14/30/13/330143013.db2.gz SVDBOHSSPUIQEM-AWEZNQCLSA-N 1 0 367.471 2.453 20 5 FEBDRO CC(C)c1ccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281828445 330177776 /nfs/dbraw/zinc/17/77/76/330177776.db2.gz RSBPZAMINMXENV-UHFFFAOYSA-N 1 0 362.474 2.474 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000554593907 674325346 /nfs/dbraw/zinc/32/53/46/674325346.db2.gz DRQSZTYXNJDMDK-WBVHZDCISA-N 1 0 365.455 2.289 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000155531789 545538514 /nfs/dbraw/zinc/53/85/14/545538514.db2.gz PWXIEAFLSSFUTB-GOSISDBHSA-N 1 0 371.437 2.459 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157233724 545716161 /nfs/dbraw/zinc/71/61/61/545716161.db2.gz CFBNYWZKXQXYAV-WMZOPIPTSA-N 1 0 363.458 2.285 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158190143 545833393 /nfs/dbraw/zinc/83/33/93/545833393.db2.gz KOUVQLWGVIVPNF-ZBEGNZNMSA-N 1 0 353.806 2.228 20 5 FEBDRO C[NH+](C)CCOc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccn1 ZINC000478042901 561158875 /nfs/dbraw/zinc/15/88/75/561158875.db2.gz UTDIWKAVTOYCSD-UHFFFAOYSA-N 1 0 373.413 2.371 20 5 FEBDRO C[NH+](C)C1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000478087350 561159835 /nfs/dbraw/zinc/15/98/35/561159835.db2.gz YRHVODGTOZKQAS-UHFFFAOYSA-N 1 0 360.336 2.188 20 5 FEBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000158662528 545881610 /nfs/dbraw/zinc/88/16/10/545881610.db2.gz BZTCFVVIWWLIRN-IEBWSBKVSA-N 1 0 369.421 2.208 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159654570 545970276 /nfs/dbraw/zinc/97/02/76/545970276.db2.gz CFADPZRDPCIKON-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC(F)F)cc1 ZINC000159697570 545974476 /nfs/dbraw/zinc/97/44/76/545974476.db2.gz QIACTNWXSVEWPG-UHFFFAOYSA-N 1 0 353.325 2.490 20 5 FEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCCC[C@H]1C ZINC000478583242 561170195 /nfs/dbraw/zinc/17/01/95/561170195.db2.gz GWLQCMAXZSSDMS-CHWSQXEVSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000160156787 546012588 /nfs/dbraw/zinc/01/25/88/546012588.db2.gz ANIAZRNJGVABGM-IRXDYDNUSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160315473 546029175 /nfs/dbraw/zinc/02/91/75/546029175.db2.gz RFRUIOQZRZWIIQ-MSOLQXFVSA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160640041 546059195 /nfs/dbraw/zinc/05/91/95/546059195.db2.gz WFNLZCDKVKZFIO-WCFLWFBJSA-N 1 0 353.806 2.368 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000161449215 546131073 /nfs/dbraw/zinc/13/10/73/546131073.db2.gz WJUCGZXHUZNFTG-OAHLLOKOSA-N 1 0 369.487 2.177 20 5 FEBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000479769066 561196806 /nfs/dbraw/zinc/19/68/06/561196806.db2.gz QJHIYLPSAXPCHH-UHFFFAOYSA-N 1 0 355.441 2.196 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000175777825 546348481 /nfs/dbraw/zinc/34/84/81/546348481.db2.gz KSCZARVQNRREII-UHFFFAOYSA-N 1 0 363.462 2.158 20 5 FEBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000175934363 546375917 /nfs/dbraw/zinc/37/59/17/546375917.db2.gz OPEGJXPIOPLNAN-ZDUSSCGKSA-N 1 0 354.410 2.354 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1C ZINC000480950179 561220983 /nfs/dbraw/zinc/22/09/83/561220983.db2.gz HWFJTXCUIOTWGL-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177540299 546640641 /nfs/dbraw/zinc/64/06/41/546640641.db2.gz ZEMMABGOQVPBID-RYUDHWBXSA-N 1 0 351.403 2.215 20 5 FEBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000177739147 546677837 /nfs/dbraw/zinc/67/78/37/546677837.db2.gz HGEWRRHFWOFNOM-ARFHVFGLSA-N 1 0 354.451 2.068 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1C ZINC000178316598 546774040 /nfs/dbraw/zinc/77/40/40/546774040.db2.gz OHTFHAWCDHRLHZ-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178804332 546852564 /nfs/dbraw/zinc/85/25/64/546852564.db2.gz OLDCUOHTUACAHK-GFCCVEGCSA-N 1 0 367.471 2.422 20 5 FEBDRO COc1cc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000481703671 561238974 /nfs/dbraw/zinc/23/89/74/561238974.db2.gz LNHPFGIJPAKFAC-INIZCTEOSA-N 1 0 358.394 2.401 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000180498276 547118895 /nfs/dbraw/zinc/11/88/95/547118895.db2.gz XTNZGHYQSBBXCW-ZDUSSCGKSA-N 1 0 361.427 2.200 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000180504469 547120386 /nfs/dbraw/zinc/12/03/86/547120386.db2.gz GFNJGKUYUHYIMC-UHFFFAOYSA-N 1 0 369.425 2.488 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000180555229 547129342 /nfs/dbraw/zinc/12/93/42/547129342.db2.gz ZYVQOGHHJUFDCY-CQSZACIVSA-N 1 0 361.446 2.156 20 5 FEBDRO CCS(=O)(=O)NCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181496678 547323151 /nfs/dbraw/zinc/32/31/51/547323151.db2.gz NTNLMNHVVYBDGM-UHFFFAOYSA-N 1 0 352.416 2.193 20 5 FEBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996487 547419469 /nfs/dbraw/zinc/41/94/69/547419469.db2.gz OZTXVFWGJZYEPW-AWEZNQCLSA-N 1 0 353.806 2.458 20 5 FEBDRO NC(=O)C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067225 547431277 /nfs/dbraw/zinc/43/12/77/547431277.db2.gz MKTFVEQIGCRSAX-DLBZAZTESA-N 1 0 374.441 2.114 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182130006 547442429 /nfs/dbraw/zinc/44/24/29/547442429.db2.gz KHOBMSMZSMWOOV-UHFFFAOYSA-N 1 0 368.865 2.234 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000182268720 547464608 /nfs/dbraw/zinc/46/46/08/547464608.db2.gz NCJQHAJSCSQYQG-HKUYNNGSSA-N 1 0 371.437 2.323 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182368410 547480805 /nfs/dbraw/zinc/48/08/05/547480805.db2.gz UTLPGMVZHGDJKF-UHFFFAOYSA-N 1 0 361.354 2.121 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182603013 547520447 /nfs/dbraw/zinc/52/04/47/547520447.db2.gz HFLKJHIDAYRAEV-UHFFFAOYSA-N 1 0 361.851 2.035 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182681738 547532236 /nfs/dbraw/zinc/53/22/36/547532236.db2.gz UYJJWDSANGZZHR-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000484048235 561290467 /nfs/dbraw/zinc/29/04/67/561290467.db2.gz VLQDEAJWGRICMI-SJCJKPOMSA-N 1 0 371.441 2.266 20 5 FEBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000484635724 561301685 /nfs/dbraw/zinc/30/16/85/561301685.db2.gz DXHOAXZHPKKUIL-CVEARBPZSA-N 1 0 351.403 2.015 20 5 FEBDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000183783989 547719303 /nfs/dbraw/zinc/71/93/03/547719303.db2.gz RHGKXKAGMPPLNI-SFHVURJKSA-N 1 0 369.421 2.400 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184297088 547802534 /nfs/dbraw/zinc/80/25/34/547802534.db2.gz TTYPOAYEDLPJFS-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO COc1cccc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000185147637 547940646 /nfs/dbraw/zinc/94/06/46/547940646.db2.gz ZIVZSBZIQJGUCU-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@]4(CCOC4)C3)o2)c1 ZINC000185168326 547944876 /nfs/dbraw/zinc/94/48/76/547944876.db2.gz CYCKEPCLLJIOFG-GOSISDBHSA-N 1 0 359.382 2.284 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185235735 547957194 /nfs/dbraw/zinc/95/71/94/547957194.db2.gz DLJNTZBVIIJLTE-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185385787 547977762 /nfs/dbraw/zinc/97/77/62/547977762.db2.gz DMVMELIQTYANDP-UHFFFAOYSA-N 1 0 366.443 2.009 20 5 FEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000185446291 547985446 /nfs/dbraw/zinc/98/54/46/547985446.db2.gz FUOYAVRMCABKQN-HNNXBMFYSA-N 1 0 370.409 2.432 20 5 FEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185868039 548048235 /nfs/dbraw/zinc/04/82/35/548048235.db2.gz KXGXFRJJMPIKTO-UHFFFAOYSA-N 1 0 366.443 2.104 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000485725320 561326662 /nfs/dbraw/zinc/32/66/62/561326662.db2.gz CNNLSLXTYVCFJC-YXJHDRRASA-N 1 0 352.431 2.326 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000194750946 548526042 /nfs/dbraw/zinc/52/60/42/548526042.db2.gz ODVFREHCJQJCHS-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO C[C@@H]1CN(CCN(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000194751352 548526503 /nfs/dbraw/zinc/52/65/03/548526503.db2.gz GOYKJKXLUXKNTQ-TXEJJXNPSA-N 1 0 355.822 2.429 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(N3CCC(C[NH+]4CCOCC4)CC3)n2)cc1 ZINC000486931040 561359759 /nfs/dbraw/zinc/35/97/59/561359759.db2.gz DVWGKGSFBKQLBI-UHFFFAOYSA-N 1 0 373.413 2.193 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000237090223 548798668 /nfs/dbraw/zinc/79/86/68/548798668.db2.gz GQWWHPKADHXXSS-ZDUSSCGKSA-N 1 0 353.444 2.047 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000237215094 548808746 /nfs/dbraw/zinc/80/87/46/548808746.db2.gz JILQLAKZTQCVJP-NWDGAFQWSA-N 1 0 353.444 2.045 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237537607 548832238 /nfs/dbraw/zinc/83/22/38/548832238.db2.gz YUQXCYOGBOQTAU-JSGCOSHPSA-N 1 0 355.398 2.336 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237556607 548834327 /nfs/dbraw/zinc/83/43/27/548834327.db2.gz OPOIHWLRAZOCDV-OTYXRUKQSA-N 1 0 361.851 2.305 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000237796612 548854574 /nfs/dbraw/zinc/85/45/74/548854574.db2.gz MAJQVWGUCYGHSG-SECBINFHSA-N 1 0 367.349 2.034 20 5 FEBDRO [NH3+][C@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000237843351 548858054 /nfs/dbraw/zinc/85/80/54/548858054.db2.gz NTDJPBTXPLKKQM-GDBMZVCRSA-N 1 0 355.398 2.093 20 5 FEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000238123230 548878702 /nfs/dbraw/zinc/87/87/02/548878702.db2.gz WTMDRZGOPSZPIR-UHFFFAOYSA-N 1 0 372.429 2.218 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000245868636 549006256 /nfs/dbraw/zinc/00/62/56/549006256.db2.gz LSWPRIKQNFOSHX-GJZGRUSLSA-N 1 0 361.423 2.022 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245910213 549017507 /nfs/dbraw/zinc/01/75/07/549017507.db2.gz VLHZJRTWYZQBLX-GOEBONIOSA-N 1 0 369.425 2.337 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246040427 549040199 /nfs/dbraw/zinc/04/01/99/549040199.db2.gz BEYHNCIJTFMTJK-JSGCOSHPSA-N 1 0 355.460 2.260 20 5 FEBDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246718317 549195796 /nfs/dbraw/zinc/19/57/96/549195796.db2.gz LMEVEQFVHJRTFR-DGCLKSJQSA-N 1 0 361.427 2.455 20 5 FEBDRO Cc1nn(C)c2ncc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc12 ZINC000488797996 561397120 /nfs/dbraw/zinc/39/71/20/561397120.db2.gz PIALGFKOQXPYNV-UHFFFAOYSA-N 1 0 355.402 2.219 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000246974606 549255018 /nfs/dbraw/zinc/25/50/18/549255018.db2.gz JHTBPTUYQPPIEZ-SMDDNHRTSA-N 1 0 373.862 2.353 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000247343324 549322782 /nfs/dbraw/zinc/32/27/82/549322782.db2.gz GFFCAUZNHIVTLR-GOEBONIOSA-N 1 0 362.455 2.266 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247653277 549369026 /nfs/dbraw/zinc/36/90/26/549369026.db2.gz WRGSEPJRQGGIQE-WCQYABFASA-N 1 0 373.862 2.353 20 5 FEBDRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000248490320 549450392 /nfs/dbraw/zinc/45/03/92/549450392.db2.gz IAKOCUKNMVNGLD-ZFWWWQNUSA-N 1 0 367.421 2.191 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000490028308 561424792 /nfs/dbraw/zinc/42/47/92/561424792.db2.gz GXGVFRLGIBFKMB-QGZVFWFLSA-N 1 0 373.482 2.198 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261628027 549736660 /nfs/dbraw/zinc/73/66/60/549736660.db2.gz CSCJFRJRSLTNTL-KOLCDFICSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC[NH3+])CCc1ccccc1 ZINC000261746605 549750568 /nfs/dbraw/zinc/75/05/68/549750568.db2.gz LHQZSDARXKARCD-UHFFFAOYSA-N 1 0 356.426 2.345 20 5 FEBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268616038 550094479 /nfs/dbraw/zinc/09/44/79/550094479.db2.gz ZLOJRQOIIPBLHI-SFHVURJKSA-N 1 0 368.437 2.400 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1O ZINC000269121981 550157541 /nfs/dbraw/zinc/15/75/41/550157541.db2.gz GABJKMKTDOYHPG-WBMJQRKESA-N 1 0 354.428 2.453 20 5 FEBDRO COc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453390 /nfs/dbraw/zinc/45/33/90/561453390.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 1 0 350.463 2.061 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270407401 550270232 /nfs/dbraw/zinc/27/02/32/550270232.db2.gz AKBODNKMVGAJGA-UONOGXRCSA-N 1 0 355.485 2.434 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000270747664 550302798 /nfs/dbraw/zinc/30/27/98/550302798.db2.gz HVWPAVHZWVFMJF-OAHLLOKOSA-N 1 0 359.430 2.011 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270777251 550306308 /nfs/dbraw/zinc/30/63/08/550306308.db2.gz GKBOAVSGKACBBV-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c([N+](=O)[O-])cc1OC ZINC000271370597 550369874 /nfs/dbraw/zinc/36/98/74/550369874.db2.gz BRIFUEIIJJIUJV-CYBMUJFWSA-N 1 0 352.387 2.387 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337495 550438747 /nfs/dbraw/zinc/43/87/47/550438747.db2.gz XVKJEWCTNRJFAN-CZUORRHYSA-N 1 0 371.441 2.277 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337501 550438949 /nfs/dbraw/zinc/43/89/49/550438949.db2.gz XVKJEWCTNRJFAN-XJKSGUPXSA-N 1 0 371.441 2.277 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272410105 550445243 /nfs/dbraw/zinc/44/52/43/550445243.db2.gz CBHVFQDPMDSCOA-DGCLKSJQSA-N 1 0 373.862 2.271 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272571133 550458441 /nfs/dbraw/zinc/45/84/41/550458441.db2.gz LGOUUQODUJRDGR-XHDPSFHLSA-N 1 0 352.822 2.484 20 5 FEBDRO Cc1nn(C)c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000273080686 550484410 /nfs/dbraw/zinc/48/44/10/550484410.db2.gz HDWHPDXVLGSJSG-INIZCTEOSA-N 1 0 359.430 2.206 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000273526636 550501918 /nfs/dbraw/zinc/50/19/18/550501918.db2.gz PNPYODUTHRCAEM-CQSZACIVSA-N 1 0 369.487 2.129 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273539712 550502235 /nfs/dbraw/zinc/50/22/35/550502235.db2.gz DWNXSIUEZDQGTI-CYBMUJFWSA-N 1 0 355.460 2.087 20 5 FEBDRO CS[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274062596 550521618 /nfs/dbraw/zinc/52/16/18/550521618.db2.gz OYNCDMZMFRYMQI-NVXWUHKLSA-N 1 0 351.472 2.485 20 5 FEBDRO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000274133124 550524460 /nfs/dbraw/zinc/52/44/60/550524460.db2.gz CWHAWIQCQGMPSA-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000277004890 550620777 /nfs/dbraw/zinc/62/07/77/550620777.db2.gz ABWSWVWNPFLALI-ZDUSSCGKSA-N 1 0 354.426 2.428 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000277109540 550633146 /nfs/dbraw/zinc/63/31/46/550633146.db2.gz XIENRWDPEJHUDG-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C)CC[N@H+](C)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000277413673 550667517 /nfs/dbraw/zinc/66/75/17/550667517.db2.gz LUEWVOIAYXGCMO-UHFFFAOYSA-N 1 0 364.402 2.248 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277511488 550679393 /nfs/dbraw/zinc/67/93/93/550679393.db2.gz QCHCJRCWNMLAEG-ZDUSSCGKSA-N 1 0 366.418 2.226 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086353 550747540 /nfs/dbraw/zinc/74/75/40/550747540.db2.gz PQACPZJHHAWQFA-NEPJUHHUSA-N 1 0 360.418 2.143 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278376552 550778843 /nfs/dbraw/zinc/77/88/43/550778843.db2.gz LGDRSHCRZYDHFQ-LLVKDONJSA-N 1 0 360.336 2.167 20 5 FEBDRO CC[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000278524923 550795309 /nfs/dbraw/zinc/79/53/09/550795309.db2.gz ZIZBJEUFAJXMEC-QWRGUYRKSA-N 1 0 362.352 2.290 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278671863 550809851 /nfs/dbraw/zinc/80/98/51/550809851.db2.gz BMUSXHSVCQILML-CQSZACIVSA-N 1 0 357.414 2.446 20 5 FEBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000279665378 550914215 /nfs/dbraw/zinc/91/42/15/550914215.db2.gz GYZCEMZLOXMULS-DZGCQCFKSA-N 1 0 362.430 2.160 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CCC1)[C@H](C)CO ZINC000280280676 550976295 /nfs/dbraw/zinc/97/62/95/550976295.db2.gz DMDQHCMSDLCJNC-GFCCVEGCSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1[N+](=O)[O-] ZINC000280867408 551040705 /nfs/dbraw/zinc/04/07/05/551040705.db2.gz COWSTEIUYGJARE-CHWSQXEVSA-N 1 0 357.414 2.112 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281075446 551061023 /nfs/dbraw/zinc/06/10/23/551061023.db2.gz UBKZRJRZDATZPK-SJORKVTESA-N 1 0 373.409 2.021 20 5 FEBDRO COc1ccc(CNC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281393982 551091777 /nfs/dbraw/zinc/09/17/77/551091777.db2.gz ZRSFZEQJYPMAQQ-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281413573 551094366 /nfs/dbraw/zinc/09/43/66/551094366.db2.gz OHYBUGSDEKTALJ-CYBMUJFWSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282087712 551178763 /nfs/dbraw/zinc/17/87/63/551178763.db2.gz OKQPFFGIMAWASJ-MRXNPFEDSA-N 1 0 363.414 2.481 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497516476 561502935 /nfs/dbraw/zinc/50/29/35/561502935.db2.gz OPDQIJPOVBSVGW-CYBMUJFWSA-N 1 0 355.460 2.166 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497518374 561503074 /nfs/dbraw/zinc/50/30/74/561503074.db2.gz XINZLQMWLDFUAM-CYBMUJFWSA-N 1 0 355.460 2.166 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000282657863 551256379 /nfs/dbraw/zinc/25/63/79/551256379.db2.gz GDZCMHXCWONFEJ-KRWDZBQOSA-N 1 0 371.441 2.208 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000282731683 551264578 /nfs/dbraw/zinc/26/45/78/551264578.db2.gz ZTLAZCAWNBRHRE-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283030949 551300365 /nfs/dbraw/zinc/30/03/65/551300365.db2.gz HQQOKSBJCNCBHL-LLVKDONJSA-N 1 0 367.402 2.493 20 5 FEBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000498018566 561513866 /nfs/dbraw/zinc/51/38/66/561513866.db2.gz GPSBYKQYKQVAHE-WBVHZDCISA-N 1 0 371.441 2.475 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000284412469 551544182 /nfs/dbraw/zinc/54/41/82/551544182.db2.gz NYIUPZVFPMLVEO-MEDUHNTESA-N 1 0 362.405 2.405 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500934 561526124 /nfs/dbraw/zinc/52/61/24/561526124.db2.gz ZQBDZXCLXFULMF-IRUJWGPZSA-N 1 0 368.821 2.080 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000498556497 561528112 /nfs/dbraw/zinc/52/81/12/561528112.db2.gz QHYBHGJLYTYFBM-UONOGXRCSA-N 1 0 372.425 2.463 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285366309 551744676 /nfs/dbraw/zinc/74/46/76/551744676.db2.gz QRDZVCWXQGNJTN-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@@]4(CCCOC4)C3)o2)cc1 ZINC000285401284 551750040 /nfs/dbraw/zinc/75/00/40/551750040.db2.gz TZYYGDYLRKKSHV-KRWDZBQOSA-N 1 0 360.370 2.026 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447790 551758393 /nfs/dbraw/zinc/75/83/93/551758393.db2.gz ZIRVXQKHGSPNAK-CXAGYDPISA-N 1 0 369.425 2.414 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000285472436 551761526 /nfs/dbraw/zinc/76/15/26/551761526.db2.gz CECPJRSGUXPWLH-YIONKMFJSA-N 1 0 367.471 2.457 20 5 FEBDRO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000498919663 561537860 /nfs/dbraw/zinc/53/78/60/561537860.db2.gz WCQYKRAVSPPASE-OAHLLOKOSA-N 1 0 369.425 2.232 20 5 FEBDRO COc1cc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286388149 551881872 /nfs/dbraw/zinc/88/18/72/551881872.db2.gz YUIQXLSOQQTTID-PBWFPOADSA-N 1 0 363.414 2.066 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000286441586 551885893 /nfs/dbraw/zinc/88/58/93/551885893.db2.gz RJRNGXYCYWREBN-UHFFFAOYSA-N 1 0 367.446 2.167 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000286876735 551935663 /nfs/dbraw/zinc/93/56/63/551935663.db2.gz CDSOIKDFYMXELP-CJNGLKHVSA-N 1 0 352.456 2.330 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117771 551965585 /nfs/dbraw/zinc/96/55/85/551965585.db2.gz MBNLOWPSFXPFKB-GDBMZVCRSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364215 551994810 /nfs/dbraw/zinc/99/48/10/551994810.db2.gz WWOTWZRVNAOUAC-MFKMUULPSA-N 1 0 361.427 2.298 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287841081 552053278 /nfs/dbraw/zinc/05/32/78/552053278.db2.gz RNWYJIOMNIMZTG-NSHDSACASA-N 1 0 363.443 2.289 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000500151822 561567015 /nfs/dbraw/zinc/56/70/15/561567015.db2.gz VPKULJYJJAQQJQ-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289314862 552300113 /nfs/dbraw/zinc/30/01/13/552300113.db2.gz AZAUTYXOVNTAGM-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000500409144 561571915 /nfs/dbraw/zinc/57/19/15/561571915.db2.gz OGIXFURSDHBZGC-CYBMUJFWSA-N 1 0 370.475 2.179 20 5 FEBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289519970 552334410 /nfs/dbraw/zinc/33/44/10/552334410.db2.gz NTPMWHUREMKHDG-DTWKUNHWSA-N 1 0 364.183 2.306 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000500463772 561573884 /nfs/dbraw/zinc/57/38/84/561573884.db2.gz QXLVVQMRHQNUAH-DGCLKSJQSA-N 1 0 374.340 2.397 20 5 FEBDRO C[C@]1(C[C@H]2CCC[N@@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623590 552351582 /nfs/dbraw/zinc/35/15/82/552351582.db2.gz LQFFZDTYDIVCEI-AVHKGYALSA-N 1 0 358.398 2.061 20 5 FEBDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289744464 552371320 /nfs/dbraw/zinc/37/13/20/552371320.db2.gz WBGKETYUSZGISD-UHFFFAOYSA-N 1 0 369.468 2.304 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000289790151 552378666 /nfs/dbraw/zinc/37/86/66/552378666.db2.gz ISEQTDWYUWBMAU-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289818063 552383552 /nfs/dbraw/zinc/38/35/52/552383552.db2.gz WCIPARALSHCJGG-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500868769 561584789 /nfs/dbraw/zinc/58/47/89/561584789.db2.gz ZEHHXOAHBLUVRU-BBRMVZONSA-N 1 0 357.414 2.051 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931956 561586013 /nfs/dbraw/zinc/58/60/13/561586013.db2.gz WUPZGHAVWXOGSV-GJZGRUSLSA-N 1 0 369.487 2.320 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290577431 552501148 /nfs/dbraw/zinc/50/11/48/552501148.db2.gz HFUHQQMDSQORLE-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290780847 552536688 /nfs/dbraw/zinc/53/66/88/552536688.db2.gz MYEFERRWSKNAQP-AWEZNQCLSA-N 1 0 369.425 2.190 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291110198 552587701 /nfs/dbraw/zinc/58/77/01/552587701.db2.gz KICZSWUXVCXLSH-ZDUSSCGKSA-N 1 0 353.423 2.026 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C)C[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000501257757 561593355 /nfs/dbraw/zinc/59/33/55/561593355.db2.gz LVFDDQOQXDUFRJ-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO CC(C)([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292078782 552691453 /nfs/dbraw/zinc/69/14/53/552691453.db2.gz FLVSQXFTFKTOBN-CYBMUJFWSA-N 1 0 355.460 2.091 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])c1F ZINC000292856219 552765546 /nfs/dbraw/zinc/76/55/46/552765546.db2.gz QYKAVMMYYGTYCU-INIZCTEOSA-N 1 0 371.434 2.149 20 5 FEBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293676670 552846202 /nfs/dbraw/zinc/84/62/02/552846202.db2.gz RCRJMABOQHEALO-ZDUSSCGKSA-N 1 0 364.423 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293918685 552867827 /nfs/dbraw/zinc/86/78/27/552867827.db2.gz OKYOLPDGBOOBKC-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259889 552892092 /nfs/dbraw/zinc/89/20/92/552892092.db2.gz SYMCXQLSVSVOSB-LJQANCHMSA-N 1 0 369.425 2.338 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000294921950 552944491 /nfs/dbraw/zinc/94/44/91/552944491.db2.gz INRHHTAAUPCBBX-QWHCGFSZSA-N 1 0 360.414 2.043 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000295167720 552965608 /nfs/dbraw/zinc/96/56/08/552965608.db2.gz RINCIVHWGPWDSN-ZDUSSCGKSA-N 1 0 367.833 2.351 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000295387522 552997943 /nfs/dbraw/zinc/99/79/43/552997943.db2.gz UTODZMYUSNJTFZ-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO CC(C)CCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000502108816 561612312 /nfs/dbraw/zinc/61/23/12/561612312.db2.gz VSJOMVVNZQBBHG-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000295862952 553069341 /nfs/dbraw/zinc/06/93/41/553069341.db2.gz DYUOKLHZHSGEML-CRAIPNDOSA-N 1 0 362.426 2.226 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277664 553133656 /nfs/dbraw/zinc/13/36/56/553133656.db2.gz OREPDJXOGMJOFJ-OLMNPRSZSA-N 1 0 357.410 2.031 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000296284745 553135186 /nfs/dbraw/zinc/13/51/86/553135186.db2.gz YYNPOGMITXSEBZ-ZDUSSCGKSA-N 1 0 352.410 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296326655 553141774 /nfs/dbraw/zinc/14/17/74/553141774.db2.gz QMTZAHXVRBYLID-VUCTXSBTSA-N 1 0 363.414 2.335 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000296676234 553197048 /nfs/dbraw/zinc/19/70/48/553197048.db2.gz ASMANIFMGCIZCX-UHFFFAOYSA-N 1 0 352.410 2.262 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000296888873 553225784 /nfs/dbraw/zinc/22/57/84/553225784.db2.gz VHQJJPVVEBCURF-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000297058096 553248143 /nfs/dbraw/zinc/24/81/43/553248143.db2.gz UNBQXAASLSOQEF-ZDUSSCGKSA-N 1 0 372.429 2.040 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000298033458 553374601 /nfs/dbraw/zinc/37/46/01/553374601.db2.gz FVLKHSOHKVDXAF-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000298050067 553377299 /nfs/dbraw/zinc/37/72/99/553377299.db2.gz HTEJNGYIBRKEAX-HNNXBMFYSA-N 1 0 364.446 2.324 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000298439141 553424969 /nfs/dbraw/zinc/42/49/69/553424969.db2.gz SPXNLFAQEDHIDT-LBPRGKRZSA-N 1 0 360.418 2.097 20 5 FEBDRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000298550045 553439217 /nfs/dbraw/zinc/43/92/17/553439217.db2.gz YNMWFBQBEWLPHJ-ZFWWWQNUSA-N 1 0 363.414 2.047 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000298554626 553439818 /nfs/dbraw/zinc/43/98/18/553439818.db2.gz ONBSVRSJBZOQTL-ZDUSSCGKSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCC2)cc1 ZINC000298875628 553484001 /nfs/dbraw/zinc/48/40/01/553484001.db2.gz XTMCKDYIJLUOHF-INIZCTEOSA-N 1 0 358.398 2.498 20 5 FEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000299119406 553517970 /nfs/dbraw/zinc/51/79/70/553517970.db2.gz XLPCNPSZSJOSRQ-UHFFFAOYSA-N 1 0 372.425 2.261 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000299455404 553565405 /nfs/dbraw/zinc/56/54/05/553565405.db2.gz XCBCQYMEFXKNEE-ZDUSSCGKSA-N 1 0 353.419 2.271 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299571055 553583095 /nfs/dbraw/zinc/58/30/95/553583095.db2.gz UBIXAUJTRIKDSF-GOSISDBHSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000299730185 553609009 /nfs/dbraw/zinc/60/90/09/553609009.db2.gz WQYGJMGVWAPHSQ-KBPBESRZSA-N 1 0 362.430 2.091 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504574515 561659947 /nfs/dbraw/zinc/65/99/47/561659947.db2.gz FIEKEFNSNYVHAZ-FVQBIDKESA-N 1 0 369.487 2.223 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301238543 553634331 /nfs/dbraw/zinc/63/43/31/553634331.db2.gz NEDAYEUPQOPSHI-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO O=c1[nH]cnc2cc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c([N+](=O)[O-])cc21 ZINC000301253236 553636255 /nfs/dbraw/zinc/63/62/55/553636255.db2.gz CBZHPHVZJRTQEF-LBPRGKRZSA-N 1 0 373.413 2.156 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301367341 553645453 /nfs/dbraw/zinc/64/54/53/553645453.db2.gz RKDLJXBFYXWWFD-BHYGNILZSA-N 1 0 370.453 2.408 20 5 FEBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000505067911 561665759 /nfs/dbraw/zinc/66/57/59/561665759.db2.gz HHBZOJBZLBBRGA-INIZCTEOSA-N 1 0 374.441 2.373 20 5 FEBDRO Cc1cccc(C[NH+]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)c1 ZINC000301841244 553684546 /nfs/dbraw/zinc/68/45/46/553684546.db2.gz PLHAZXDDTKXIOZ-UHFFFAOYSA-N 1 0 352.398 2.268 20 5 FEBDRO Cc1nnc(CN2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)[nH]1 ZINC000302115592 553704752 /nfs/dbraw/zinc/70/47/52/553704752.db2.gz BXLCAMJICYBDSR-UHFFFAOYSA-N 1 0 367.413 2.200 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976191 553762939 /nfs/dbraw/zinc/76/29/39/553762939.db2.gz FLYZUXAHQTVOSJ-VHSXEESVSA-N 1 0 369.219 2.061 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000325050103 553774833 /nfs/dbraw/zinc/77/48/33/553774833.db2.gz PMBKIPODCOSRSH-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000507090871 561717138 /nfs/dbraw/zinc/71/71/38/561717138.db2.gz VXQIYDBJXXFZSY-HNNXBMFYSA-N 1 0 370.409 2.262 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000507380883 561727092 /nfs/dbraw/zinc/72/70/92/561727092.db2.gz MSPDMNKUEYXFBJ-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000507458236 561729931 /nfs/dbraw/zinc/72/99/31/561729931.db2.gz DEWXDUZFIHKRRJ-IAGOWNOFSA-N 1 0 367.471 2.432 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000330381864 554113969 /nfs/dbraw/zinc/11/39/69/554113969.db2.gz WOJVMMOLYDSRIH-UHFFFAOYSA-N 1 0 373.450 2.476 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421194 554119777 /nfs/dbraw/zinc/11/97/77/554119777.db2.gz QCMJWOMEOJELSS-KGLIPLIRSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454962 554124004 /nfs/dbraw/zinc/12/40/04/554124004.db2.gz WODSLLDHCPGQLP-HZSPNIEDSA-N 1 0 351.451 2.009 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1C ZINC000330784429 554171256 /nfs/dbraw/zinc/17/12/56/554171256.db2.gz JYPMKKNZVNQCHD-PHIMTYICSA-N 1 0 370.247 2.451 20 5 FEBDRO COC(=O)C[C@](C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000509124120 561785598 /nfs/dbraw/zinc/78/55/98/561785598.db2.gz IAQDFCIZIRHBRO-SFHVURJKSA-N 1 0 359.382 2.437 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736619 554318321 /nfs/dbraw/zinc/31/83/21/554318321.db2.gz UEVYCOICDGLMPM-HNAYVOBHSA-N 1 0 361.442 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331836709 554327409 /nfs/dbraw/zinc/32/74/09/554327409.db2.gz AXAHBXCKYJMTRW-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000509663873 561809816 /nfs/dbraw/zinc/80/98/16/561809816.db2.gz FHEMXHSQNLHFFD-STQMWFEESA-N 1 0 358.398 2.073 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000331906526 554344018 /nfs/dbraw/zinc/34/40/18/554344018.db2.gz KFBGKXSFOLFAFK-IIDMSEBBSA-N 1 0 350.415 2.355 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000331909674 554344606 /nfs/dbraw/zinc/34/46/06/554344606.db2.gz XUWLTXGUOAUULW-GFCCVEGCSA-N 1 0 366.393 2.356 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1nnnn1-c1ccccc1 ZINC000509432093 561799598 /nfs/dbraw/zinc/79/95/98/561799598.db2.gz XUILRERNPGIEBB-VURMDHGXSA-N 1 0 350.382 2.416 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071220 554374313 /nfs/dbraw/zinc/37/43/13/554374313.db2.gz CCAIPZRRAANSTF-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1C ZINC000332089439 554378202 /nfs/dbraw/zinc/37/82/02/554378202.db2.gz UQQJZFJWONSMAO-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C ZINC000332099728 554380311 /nfs/dbraw/zinc/38/03/11/554380311.db2.gz YDKJFQYBODWYRA-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000332247689 554409659 /nfs/dbraw/zinc/40/96/59/554409659.db2.gz BQIOJMKWXPXWKH-HNNXBMFYSA-N 1 0 361.398 2.082 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000332562099 554472056 /nfs/dbraw/zinc/47/20/56/554472056.db2.gz XEQUJCZWTKNXAR-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592791 554478714 /nfs/dbraw/zinc/47/87/14/554478714.db2.gz NYLYZRINDQYGQD-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CCN1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000511240543 561862274 /nfs/dbraw/zinc/86/22/74/561862274.db2.gz LHVBPKDGYMZCRK-SNVBAGLBSA-N 1 0 361.851 2.271 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3CCC[C@@H]3[NH+]3CCOCC3)cc2N1 ZINC000360231276 554868392 /nfs/dbraw/zinc/86/83/92/554868392.db2.gz VXWMQCMONPQEQW-PBHICJAKSA-N 1 0 374.441 2.392 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000361297305 554915251 /nfs/dbraw/zinc/91/52/51/554915251.db2.gz DZWMXBRIFZZNOH-HNNXBMFYSA-N 1 0 363.462 2.294 20 5 FEBDRO O=C(NCC1(N2CCOCC2)CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000363100063 555030060 /nfs/dbraw/zinc/03/00/60/555030060.db2.gz UJEQSOKXENSDQE-UHFFFAOYSA-N 1 0 365.405 2.499 20 5 FEBDRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363191959 555050189 /nfs/dbraw/zinc/05/01/89/555050189.db2.gz FSSRFUOFSNCPJN-ZDUSSCGKSA-N 1 0 352.822 2.357 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000363369029 555087670 /nfs/dbraw/zinc/08/76/70/555087670.db2.gz FAVMBGBEGMFKIY-UHFFFAOYSA-N 1 0 354.410 2.427 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458204 555110864 /nfs/dbraw/zinc/11/08/64/555110864.db2.gz ZAWUNTMONOLGTD-VXGBXAGGSA-N 1 0 354.794 2.233 20 5 FEBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cn1 ZINC000363588304 555142554 /nfs/dbraw/zinc/14/25/54/555142554.db2.gz GAEKASNMBWEUEB-CYBMUJFWSA-N 1 0 368.397 2.443 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363678251 555161914 /nfs/dbraw/zinc/16/19/14/555161914.db2.gz KYMUJIZZJFMGCR-ZOBUZTSGSA-N 1 0 358.442 2.340 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000363775074 555183359 /nfs/dbraw/zinc/18/33/59/555183359.db2.gz CUDYYZVXHSDMEK-AWEZNQCLSA-N 1 0 366.368 2.310 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873341 555204023 /nfs/dbraw/zinc/20/40/23/555204023.db2.gz CIMISDWFAHGHTE-DYVFJYSZSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cc([C@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC000364036713 555237524 /nfs/dbraw/zinc/23/75/24/555237524.db2.gz SWFPOMRCRAOJGY-HNNXBMFYSA-N 1 0 369.425 2.395 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364204261 555269297 /nfs/dbraw/zinc/26/92/97/555269297.db2.gz ZBZPWOOLASPENL-HUUCEWRRSA-N 1 0 359.357 2.066 20 5 FEBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c([N+](=O)[O-])cc1OC(F)F ZINC000364587064 555345490 /nfs/dbraw/zinc/34/54/90/555345490.db2.gz NQGZFCNMMMTIDR-OWUUHHOZSA-N 1 0 371.340 2.299 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C1 ZINC000364887151 555425886 /nfs/dbraw/zinc/42/58/86/555425886.db2.gz ZUUSKXWKOSEPMR-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000512805837 561916202 /nfs/dbraw/zinc/91/62/02/561916202.db2.gz MRQJMMQUDYEDSF-UHFFFAOYSA-N 1 0 369.437 2.293 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512851102 561917680 /nfs/dbraw/zinc/91/76/80/561917680.db2.gz MNIJGXZZISWQQM-LSDHHAIUSA-N 1 0 355.460 2.101 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000365077372 555479659 /nfs/dbraw/zinc/47/96/59/555479659.db2.gz LRMKKRULXHMVSC-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000365366273 555554896 /nfs/dbraw/zinc/55/48/96/555554896.db2.gz SPILUNBAEJRNHA-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365542945 555604540 /nfs/dbraw/zinc/60/45/40/555604540.db2.gz ANADFKZESLUIBX-ZNMIVQPWSA-N 1 0 374.397 2.368 20 5 FEBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N(C1CC1)C1CCCC1 ZINC000365821779 555675346 /nfs/dbraw/zinc/67/53/46/555675346.db2.gz RHNCRRCKIJLQTC-UHFFFAOYSA-N 1 0 361.446 2.362 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366462712 555850782 /nfs/dbraw/zinc/85/07/82/555850782.db2.gz PCEMCWVCRSGENK-QWRGUYRKSA-N 1 0 350.375 2.148 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000366690474 555909697 /nfs/dbraw/zinc/90/96/97/555909697.db2.gz ASZBWOOTXGQNCD-HUUCEWRRSA-N 1 0 357.414 2.104 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244659 561965386 /nfs/dbraw/zinc/96/53/86/561965386.db2.gz LTMKNDWVLPLRLM-GRYCIOLGSA-N 1 0 367.402 2.108 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000366940374 555976940 /nfs/dbraw/zinc/97/69/40/555976940.db2.gz HFWDCOCLRYVIIK-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000367388553 556035386 /nfs/dbraw/zinc/03/53/86/556035386.db2.gz BTGDYQZHJLPCRQ-UHFFFAOYSA-N 1 0 371.441 2.013 20 5 FEBDRO CCOC(=O)C1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000367824876 556148170 /nfs/dbraw/zinc/14/81/70/556148170.db2.gz ZESSZPPPWDYNRM-UHFFFAOYSA-N 1 0 369.805 2.006 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000367885513 556165072 /nfs/dbraw/zinc/16/50/72/556165072.db2.gz LUXJDIHKWIWMSI-BXUZGUMPSA-N 1 0 373.862 2.401 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000368345793 556283807 /nfs/dbraw/zinc/28/38/07/556283807.db2.gz CTTIIZSONCCWAZ-KRWDZBQOSA-N 1 0 363.458 2.331 20 5 FEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000368385280 556294091 /nfs/dbraw/zinc/29/40/91/556294091.db2.gz NDABWMFFLNHQPW-KRWDZBQOSA-N 1 0 358.442 2.457 20 5 FEBDRO Cc1cc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664827 556378651 /nfs/dbraw/zinc/37/86/51/556378651.db2.gz YUEZPSIPGNXHGQ-GOEBONIOSA-N 1 0 360.414 2.246 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000368683325 556384630 /nfs/dbraw/zinc/38/46/30/556384630.db2.gz DVBPNEPWILJCMK-HNNXBMFYSA-N 1 0 361.446 2.086 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000368707178 556392301 /nfs/dbraw/zinc/39/23/01/556392301.db2.gz OWQKCMNXAMJHFY-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)c1 ZINC000515467926 562011572 /nfs/dbraw/zinc/01/15/72/562011572.db2.gz WKYKJAZKAXJKQT-ZDUSSCGKSA-N 1 0 369.324 2.121 20 5 FEBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369062933 556493895 /nfs/dbraw/zinc/49/38/95/556493895.db2.gz IVGNYRBLNCZSFI-UHFFFAOYSA-N 1 0 360.458 2.113 20 5 FEBDRO O=C1[C@@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582490 556638217 /nfs/dbraw/zinc/63/82/17/556638217.db2.gz BNIJZFKZIOSGAQ-ROUUACIJSA-N 1 0 358.442 2.260 20 5 FEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000370201719 556809182 /nfs/dbraw/zinc/80/91/82/556809182.db2.gz NTALQGVGKLHOPB-IAGOWNOFSA-N 1 0 350.415 2.355 20 5 FEBDRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2N1 ZINC000370712543 556946559 /nfs/dbraw/zinc/94/65/59/556946559.db2.gz WHFMSXOHRCAARG-CVEARBPZSA-N 1 0 373.434 2.413 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793926 556970248 /nfs/dbraw/zinc/97/02/48/556970248.db2.gz SLDBULBLKSJGOC-UHFFFAOYSA-N 1 0 356.382 2.205 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000370826898 556981275 /nfs/dbraw/zinc/98/12/75/556981275.db2.gz OMBGMCXPEZMLNV-INWMFGNUSA-N 1 0 351.378 2.058 20 5 FEBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370838728 556986150 /nfs/dbraw/zinc/98/61/50/556986150.db2.gz GRYLBCWYWPQEML-GHOSXJJBSA-N 1 0 372.469 2.235 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000370914497 557013425 /nfs/dbraw/zinc/01/34/25/557013425.db2.gz YIUVGBQFSYGXPR-LPHOPBHVSA-N 1 0 371.441 2.224 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371309671 557140771 /nfs/dbraw/zinc/14/07/71/557140771.db2.gz CFBOJLZACZDHNI-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cn2)CC1 ZINC000371323891 557146477 /nfs/dbraw/zinc/14/64/77/557146477.db2.gz RWCIKSROXZWDMR-UHFFFAOYSA-N 1 0 357.370 2.110 20 5 FEBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371334605 557150785 /nfs/dbraw/zinc/15/07/85/557150785.db2.gz HAYGBLFNUHERLE-YOEHRIQHSA-N 1 0 350.438 2.192 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371356312 557158236 /nfs/dbraw/zinc/15/82/36/557158236.db2.gz WWTBTXYNVHZPHC-CIHFUWIRSA-N 1 0 372.469 2.092 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518104195 562104632 /nfs/dbraw/zinc/10/46/32/562104632.db2.gz YSBHQLVZAYIGCI-OKILXGFUSA-N 1 0 362.430 2.221 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000371900035 557324699 /nfs/dbraw/zinc/32/46/99/557324699.db2.gz UJVGTCKBEDWLQN-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000518519026 562113436 /nfs/dbraw/zinc/11/34/36/562113436.db2.gz LDQIJDPOZWEBLU-CVEARBPZSA-N 1 0 351.447 2.045 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000518534718 562113908 /nfs/dbraw/zinc/11/39/08/562113908.db2.gz LGUZNZNOGQAXMW-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000518633593 562115762 /nfs/dbraw/zinc/11/57/62/562115762.db2.gz IUIQLFQMGCLMGS-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Nc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ncc1[N+](=O)[O-] ZINC000372366286 557451667 /nfs/dbraw/zinc/45/16/67/557451667.db2.gz NDDDXFSEGKJNTR-UHFFFAOYSA-N 1 0 368.441 2.460 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CCC[NH2+]CC1 ZINC000372422417 557466337 /nfs/dbraw/zinc/46/63/37/557466337.db2.gz PXYBLZVWGUMGOR-LLVKDONJSA-N 1 0 356.220 2.158 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372435050 557470058 /nfs/dbraw/zinc/47/00/58/557470058.db2.gz CINZWQUJLWOUPS-ZDUSSCGKSA-N 1 0 353.444 2.095 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000372550080 557501388 /nfs/dbraw/zinc/50/13/88/557501388.db2.gz BQVASJJIIVJKCQ-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372556239 557503657 /nfs/dbraw/zinc/50/36/57/557503657.db2.gz IYVMUAVWUBRAPD-IBGZPJMESA-N 1 0 374.441 2.176 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000372583945 557512847 /nfs/dbraw/zinc/51/28/47/557512847.db2.gz GIZRLOLOSKMMBY-RUYXUALKSA-N 1 0 351.406 2.384 20 5 FEBDRO COc1ccc(CC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC000519542800 562134200 /nfs/dbraw/zinc/13/42/00/562134200.db2.gz OFVQSBOVJWMGAX-UHFFFAOYSA-N 1 0 357.366 2.267 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725226 557547924 /nfs/dbraw/zinc/54/79/24/557547924.db2.gz HCZGYPZUYVNUGG-SJLPKXTDSA-N 1 0 357.410 2.457 20 5 FEBDRO COc1cccc2c1C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000519766223 562143191 /nfs/dbraw/zinc/14/31/91/562143191.db2.gz XUSZUMZSPGTPDB-ZBFHGGJFSA-N 1 0 358.394 2.100 20 5 FEBDRO CNc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000519932306 562147996 /nfs/dbraw/zinc/14/79/96/562147996.db2.gz QDQLADQMUASLBN-UHFFFAOYSA-N 1 0 357.414 2.236 20 5 FEBDRO COC(=O)c1cccc(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373277541 557663671 /nfs/dbraw/zinc/66/36/71/557663671.db2.gz ZBMYOGDADUMKRT-UHFFFAOYSA-N 1 0 374.397 2.294 20 5 FEBDRO O=C1O[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1c1ccccc1 ZINC000373296176 557667677 /nfs/dbraw/zinc/66/76/77/557667677.db2.gz ZGTFUFNNKHNIKX-INIZCTEOSA-N 1 0 371.397 2.454 20 5 FEBDRO O=C(CC[NH+]1CCC2(CCOC2=O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000373437949 557693405 /nfs/dbraw/zinc/69/34/05/557693405.db2.gz BTWUIFQLGUUWKI-UHFFFAOYSA-N 1 0 365.361 2.092 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373809618 557764261 /nfs/dbraw/zinc/76/42/61/557764261.db2.gz JVCKAHRIFDJRGP-KSSFIOAISA-N 1 0 363.414 2.193 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374372900 557873739 /nfs/dbraw/zinc/87/37/39/557873739.db2.gz GBRZZHKPRHRRAY-RYUDHWBXSA-N 1 0 352.366 2.027 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585475 557902511 /nfs/dbraw/zinc/90/25/11/557902511.db2.gz NIVSWUABFHNYPH-IAGOWNOFSA-N 1 0 369.425 2.238 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000375047469 557969521 /nfs/dbraw/zinc/96/95/21/557969521.db2.gz DIXWBSLIXUWMIN-ZBFHGGJFSA-N 1 0 370.409 2.061 20 5 FEBDRO O=C1CC[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C2CC2)N1 ZINC000375295543 558005744 /nfs/dbraw/zinc/00/57/44/558005744.db2.gz JASRQCKSVUZHDS-BEFAXECRSA-N 1 0 370.409 2.439 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375391346 558019843 /nfs/dbraw/zinc/01/98/43/558019843.db2.gz KYLROPCWNJRHRS-LJQANCHMSA-N 1 0 355.394 2.278 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1[N+](=O)[O-] ZINC000375503065 558039319 /nfs/dbraw/zinc/03/93/19/558039319.db2.gz QBQRSDXZUWZSOE-WPKBUWHJSA-N 1 0 357.414 2.307 20 5 FEBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375504488 558039677 /nfs/dbraw/zinc/03/96/77/558039677.db2.gz GNJGELUFBHMALB-IIDMSEBBSA-N 1 0 357.414 2.389 20 5 FEBDRO COc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000375754953 558077756 /nfs/dbraw/zinc/07/77/56/558077756.db2.gz DYBSOQPSIALMRD-PBWFPOADSA-N 1 0 362.430 2.099 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000375878879 558092919 /nfs/dbraw/zinc/09/29/19/558092919.db2.gz GLTTUTLQVDQULS-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO COc1ccc(OCCN2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128771 558130663 /nfs/dbraw/zinc/13/06/63/558130663.db2.gz HBZAUJDCEWQPKJ-KSSFIOAISA-N 1 0 366.414 2.252 20 5 FEBDRO CC(=O)c1cc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376187483 558138541 /nfs/dbraw/zinc/13/85/41/558138541.db2.gz KKMIWWYPMGUXOV-INIZCTEOSA-N 1 0 360.458 2.261 20 5 FEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000376571780 558192377 /nfs/dbraw/zinc/19/23/77/558192377.db2.gz QQEIKRXMIAUKPX-UHFFFAOYSA-N 1 0 361.398 2.113 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416650 562198225 /nfs/dbraw/zinc/19/82/25/562198225.db2.gz MCQAGSRQTVFPGT-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO CCOC(=O)c1cc(N2CCC[N@H+](CCCOC)CC2)ccc1[N+](=O)[O-] ZINC000378099595 558480895 /nfs/dbraw/zinc/48/08/95/558480895.db2.gz DXIIQUKFDNNJFF-UHFFFAOYSA-N 1 0 365.430 2.320 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+]([C@H]4CCSC4)CC3)cc2N1 ZINC000378107837 558482861 /nfs/dbraw/zinc/48/28/61/558482861.db2.gz GOSFFXUZWXPDHE-ZDUSSCGKSA-N 1 0 362.455 2.107 20 5 FEBDRO C[C@@H]1CN(Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000523098777 562208380 /nfs/dbraw/zinc/20/83/80/562208380.db2.gz AMBUAFHXIVBJOC-OKILXGFUSA-N 1 0 373.413 2.039 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000523166160 562209227 /nfs/dbraw/zinc/20/92/27/562209227.db2.gz PDAFJNGLLOFVSP-CYBMUJFWSA-N 1 0 361.398 2.414 20 5 FEBDRO Nc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000378512240 558572591 /nfs/dbraw/zinc/57/25/91/558572591.db2.gz DTJURNZGBGIZTF-HOCLYGCPSA-N 1 0 358.373 2.192 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067366 562223736 /nfs/dbraw/zinc/22/37/36/562223736.db2.gz MQWIYUXZSSLWKQ-YVEFUNNKSA-N 1 0 362.382 2.350 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316030 558666318 /nfs/dbraw/zinc/66/63/18/558666318.db2.gz NFEZEXZYUHASJN-CHWSQXEVSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000408337383 558667955 /nfs/dbraw/zinc/66/79/55/558667955.db2.gz UNNKKQGLKAOCCK-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C3CCC3)CC2)c1C ZINC000408336591 558667992 /nfs/dbraw/zinc/66/79/92/558667992.db2.gz OWHNWDAAHUBZIE-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000408340610 558668613 /nfs/dbraw/zinc/66/86/13/558668613.db2.gz WPCNORUWBFECKS-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000524755372 562234031 /nfs/dbraw/zinc/23/40/31/562234031.db2.gz DOWUZNAIWRHHFT-AWEZNQCLSA-N 1 0 363.414 2.069 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000525028502 562239535 /nfs/dbraw/zinc/23/95/35/562239535.db2.gz WHPDAPDVNDZHEW-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000411303211 558872190 /nfs/dbraw/zinc/87/21/90/558872190.db2.gz GSDJQYMYODQLOR-ZDUSSCGKSA-N 1 0 364.446 2.243 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000411395841 558887269 /nfs/dbraw/zinc/88/72/69/558887269.db2.gz DYBHBASTCWVQDF-OAHLLOKOSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411601733 558927575 /nfs/dbraw/zinc/92/75/75/558927575.db2.gz BBDQZWNYIGQTED-YNEHKIRRSA-N 1 0 351.403 2.430 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003519 559001337 /nfs/dbraw/zinc/00/13/37/559001337.db2.gz XGAXMCKDUZMGPV-ROUUACIJSA-N 1 0 372.425 2.006 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412100071 559013476 /nfs/dbraw/zinc/01/34/76/559013476.db2.gz XDSXHAUBJFCUMX-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412389640 559032795 /nfs/dbraw/zinc/03/27/95/559032795.db2.gz GLGMUMXNUGRMQD-GFCCVEGCSA-N 1 0 353.394 2.228 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413057017 559073457 /nfs/dbraw/zinc/07/34/57/559073457.db2.gz WPOBSUFOYYERQF-LLVKDONJSA-N 1 0 361.368 2.447 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000413136429 559081625 /nfs/dbraw/zinc/08/16/25/559081625.db2.gz OAVOWBPBVDNMNJ-GFCCVEGCSA-N 1 0 373.379 2.225 20 5 FEBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000413199943 559087929 /nfs/dbraw/zinc/08/79/29/559087929.db2.gz DPRQLMZERVUFKF-MNOVXSKESA-N 1 0 350.366 2.490 20 5 FEBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000413365013 559102267 /nfs/dbraw/zinc/10/22/67/559102267.db2.gz RMRBTOMSOKAAKB-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000414945419 559196363 /nfs/dbraw/zinc/19/63/63/559196363.db2.gz IGULZXZQYQULLF-ZJUUUORDSA-N 1 0 356.329 2.269 20 5 FEBDRO COc1cc(CN[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948775 559196669 /nfs/dbraw/zinc/19/66/69/559196669.db2.gz ZBGSQBCJORMJQV-PWSUYJOCSA-N 1 0 359.373 2.335 20 5 FEBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953365 559196911 /nfs/dbraw/zinc/19/69/11/559196911.db2.gz RLVJZLUJNQELKH-KWQFWETISA-N 1 0 374.344 2.431 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC)C1CC[NH2+]CC1 ZINC000415501385 559244191 /nfs/dbraw/zinc/24/41/91/559244191.db2.gz OKILPHRNWJUXJR-UHFFFAOYSA-N 1 0 362.430 2.086 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000415528004 559246766 /nfs/dbraw/zinc/24/67/66/559246766.db2.gz VMEKOYBBQNNCRM-HNNXBMFYSA-N 1 0 374.441 2.141 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595707 559253887 /nfs/dbraw/zinc/25/38/87/559253887.db2.gz HQCSKPJWGYBYGM-BXUZGUMPSA-N 1 0 364.402 2.423 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415597329 559254086 /nfs/dbraw/zinc/25/40/86/559254086.db2.gz JGNSLCDGRIWWMD-BMIGLBTASA-N 1 0 364.402 2.281 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649220 559257936 /nfs/dbraw/zinc/25/79/36/559257936.db2.gz PLGPJBDQBWHZAN-NWDGAFQWSA-N 1 0 362.430 2.217 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415954990 559284673 /nfs/dbraw/zinc/28/46/73/559284673.db2.gz HITRWJQDUKNNAP-ZDUSSCGKSA-N 1 0 371.397 2.136 20 5 FEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCc3ccccc3[N+](=O)[O-])cc2C1 ZINC000415970888 559285981 /nfs/dbraw/zinc/28/59/81/559285981.db2.gz ZZUMRVIRADIIEM-AWEZNQCLSA-N 1 0 355.398 2.170 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416414987 559311459 /nfs/dbraw/zinc/31/14/59/559311459.db2.gz HARJVWKQRAUQQD-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416454722 559313974 /nfs/dbraw/zinc/31/39/74/559313974.db2.gz DZRIEQUNJKETDS-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417188175 559352013 /nfs/dbraw/zinc/35/20/13/559352013.db2.gz VPZMBIFBJYVJSL-DLBZAZTESA-N 1 0 370.409 2.240 20 5 FEBDRO O=C(NCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1cnccn1 ZINC000417307999 559356898 /nfs/dbraw/zinc/35/68/98/559356898.db2.gz CKQHMRLNRBIPEZ-INIZCTEOSA-N 1 0 355.398 2.172 20 5 FEBDRO CCOCCOC[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319367 559357370 /nfs/dbraw/zinc/35/73/70/559357370.db2.gz BYSRZNQGWSJHAJ-AEFFLSMTSA-N 1 0 352.431 2.366 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417719580 559373861 /nfs/dbraw/zinc/37/38/61/559373861.db2.gz QLVRSSXUIUMKRG-GJZGRUSLSA-N 1 0 363.462 2.393 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417980969 559384738 /nfs/dbraw/zinc/38/47/38/559384738.db2.gz BXFHYRGLNJNDGM-CQSZACIVSA-N 1 0 352.822 2.327 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417982467 559384826 /nfs/dbraw/zinc/38/48/26/559384826.db2.gz DTLGTIANEGFYGR-LBPRGKRZSA-N 1 0 354.838 2.432 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419281370 559435117 /nfs/dbraw/zinc/43/51/17/559435117.db2.gz BDPLUGSXPQPCSC-GDBMZVCRSA-N 1 0 366.368 2.138 20 5 FEBDRO O=C1[C@H](NC2CC[NH+](C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000419286857 559435273 /nfs/dbraw/zinc/43/52/73/559435273.db2.gz GAGJDCJGNJZYKT-GOSISDBHSA-N 1 0 358.442 2.307 20 5 FEBDRO CN1CC[NH2+]C[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420280824 559478531 /nfs/dbraw/zinc/47/85/31/559478531.db2.gz VEWPXQBJBUOWGA-INIZCTEOSA-N 1 0 354.410 2.141 20 5 FEBDRO COc1ccc([C@H](C[NH3+])CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000420322813 559480246 /nfs/dbraw/zinc/48/02/46/559480246.db2.gz SMHIULDAGVXSML-QGZVFWFLSA-N 1 0 370.453 2.468 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420394268 559485194 /nfs/dbraw/zinc/48/51/94/559485194.db2.gz ALUGQLZSZNGHJS-DOTOQJQBSA-N 1 0 372.400 2.408 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420403002 559485717 /nfs/dbraw/zinc/48/57/17/559485717.db2.gz MTGJGJFPOQUSJL-AWEZNQCLSA-N 1 0 370.409 2.322 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000420446141 559487732 /nfs/dbraw/zinc/48/77/32/559487732.db2.gz GWQLKMJRLQNHHC-VIFPVBQESA-N 1 0 367.349 2.034 20 5 FEBDRO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449900 559487901 /nfs/dbraw/zinc/48/79/01/559487901.db2.gz GOQNSSTUJMJHLW-WCBMZHEXSA-N 1 0 367.349 2.019 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420457815 559488470 /nfs/dbraw/zinc/48/84/70/559488470.db2.gz IGCHOXVRVPGCKK-HOCLYGCPSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000420478085 559489633 /nfs/dbraw/zinc/48/96/33/559489633.db2.gz VZBIXACJZQKODF-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420990113 559518008 /nfs/dbraw/zinc/51/80/08/559518008.db2.gz DMRBOILIGREFMX-ZDUSSCGKSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421014316 559519731 /nfs/dbraw/zinc/51/97/31/559519731.db2.gz KIYGAKGESZPIJV-CQSZACIVSA-N 1 0 365.430 2.417 20 5 FEBDRO COC1([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421397946 559541149 /nfs/dbraw/zinc/54/11/49/559541149.db2.gz FHMQBBVXLDUDOY-KGLIPLIRSA-N 1 0 365.430 2.486 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421409989 559541660 /nfs/dbraw/zinc/54/16/60/559541660.db2.gz OEXFFYZAUNINLZ-CQSZACIVSA-N 1 0 364.398 2.026 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1SC ZINC000421705254 559550136 /nfs/dbraw/zinc/55/01/36/559550136.db2.gz QVKYXJPERYZAQL-NSHDSACASA-N 1 0 353.444 2.492 20 5 FEBDRO CC1(C)CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000423708140 559636555 /nfs/dbraw/zinc/63/65/55/559636555.db2.gz LZLFHUZKCTVVBB-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000423999894 559650257 /nfs/dbraw/zinc/65/02/57/559650257.db2.gz BJTLDSVWLMIKGR-NWDGAFQWSA-N 1 0 351.403 2.059 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000424020018 559651492 /nfs/dbraw/zinc/65/14/92/559651492.db2.gz SDQJGUKHVLZAAO-UWVGGRQHSA-N 1 0 373.356 2.262 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000424034772 559652088 /nfs/dbraw/zinc/65/20/88/559652088.db2.gz BRORHEODXKNDPB-KRWDZBQOSA-N 1 0 363.462 2.035 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425352485 559697945 /nfs/dbraw/zinc/69/79/45/559697945.db2.gz HRTHJAAEPVUJTI-ZDUSSCGKSA-N 1 0 353.386 2.103 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000425618581 559711768 /nfs/dbraw/zinc/71/17/68/559711768.db2.gz FBLUKCVSZWNPQM-UHFFFAOYSA-N 1 0 350.419 2.478 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000427373666 559754365 /nfs/dbraw/zinc/75/43/65/559754365.db2.gz BRBYUBIFYUBSTP-HOCLYGCPSA-N 1 0 371.441 2.452 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000427908126 559765223 /nfs/dbraw/zinc/76/52/23/559765223.db2.gz YCSVNKYKYGJJBX-CQSZACIVSA-N 1 0 372.425 2.370 20 5 FEBDRO O=C(N[C@H]1CCn2ccnc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000428361552 559773873 /nfs/dbraw/zinc/77/38/73/559773873.db2.gz URLHDXPOLXHTDZ-JTQLQIEISA-N 1 0 365.187 2.299 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429180830 559792547 /nfs/dbraw/zinc/79/25/47/559792547.db2.gz YHRRKYMVFIYFHW-YPMHNXCESA-N 1 0 353.444 2.032 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429544038 559800983 /nfs/dbraw/zinc/80/09/83/559800983.db2.gz ZUNTWKHKEUHEGC-CYBMUJFWSA-N 1 0 362.430 2.160 20 5 FEBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000429568472 559801660 /nfs/dbraw/zinc/80/16/60/559801660.db2.gz OIVJMRSKJMNVHK-FZMZJTMJSA-N 1 0 372.381 2.451 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)C[NH3+] ZINC000430594882 559824048 /nfs/dbraw/zinc/82/40/48/559824048.db2.gz SJRSFMPWBZWZCL-UHFFFAOYSA-N 1 0 373.251 2.213 20 5 FEBDRO Cc1cc(OCC(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000430783643 559828190 /nfs/dbraw/zinc/82/81/90/559828190.db2.gz NJDAOTGYJNJTCW-UHFFFAOYSA-N 1 0 361.398 2.465 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432866119 559866554 /nfs/dbraw/zinc/86/65/54/559866554.db2.gz NIHYZTJUFKHVPV-CYBMUJFWSA-N 1 0 351.403 2.294 20 5 FEBDRO CCOCCOC[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064739 559870899 /nfs/dbraw/zinc/87/08/99/559870899.db2.gz CGWFGDQWERKLLT-YOEHRIQHSA-N 1 0 352.431 2.321 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000433861655 559889002 /nfs/dbraw/zinc/88/90/02/559889002.db2.gz DLQLLZNYZQGNHG-AWEZNQCLSA-N 1 0 359.430 2.344 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433940171 559890836 /nfs/dbraw/zinc/89/08/36/559890836.db2.gz JEUOXSJJSXUODV-QGZVFWFLSA-N 1 0 361.446 2.323 20 5 FEBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cnccn2)CC1 ZINC000434733831 559908177 /nfs/dbraw/zinc/90/81/77/559908177.db2.gz CYCKPSQZSXWVMV-UHFFFAOYSA-N 1 0 367.413 2.362 20 5 FEBDRO COc1cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370054 559921523 /nfs/dbraw/zinc/92/15/23/559921523.db2.gz HGGOKHDCSIHTHW-QWRGUYRKSA-N 1 0 359.373 2.416 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000435828699 559930755 /nfs/dbraw/zinc/93/07/55/559930755.db2.gz WQNVNBQPZWPLHG-CQSZACIVSA-N 1 0 365.430 2.176 20 5 FEBDRO C[C@H](O)C[N@H+](C)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436397899 559941166 /nfs/dbraw/zinc/94/11/66/559941166.db2.gz QVYDHXGJDMXSJY-JTQLQIEISA-N 1 0 362.352 2.290 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000438937104 559985675 /nfs/dbraw/zinc/98/56/75/559985675.db2.gz OFZGVUULSFTWQU-QGZVFWFLSA-N 1 0 363.458 2.405 20 5 FEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCO[C@H]21 ZINC000439623481 559998133 /nfs/dbraw/zinc/99/81/33/559998133.db2.gz RJNHZSLTRGSELI-YLFCFFPRSA-N 1 0 359.426 2.493 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000439737352 559999448 /nfs/dbraw/zinc/99/94/48/559999448.db2.gz GXUZJBZXIQNCBK-ZDUSSCGKSA-N 1 0 357.414 2.284 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440425843 560010918 /nfs/dbraw/zinc/01/09/18/560010918.db2.gz XHBZLZKAVKZEIW-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443813164 560093694 /nfs/dbraw/zinc/09/36/94/560093694.db2.gz REFWTGHVOZNOQU-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000443852558 560094555 /nfs/dbraw/zinc/09/45/55/560094555.db2.gz QSFVNWXOFXYUFG-CQSZACIVSA-N 1 0 367.452 2.186 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443955695 560097432 /nfs/dbraw/zinc/09/74/32/560097432.db2.gz FFVOUGSHKMAYDI-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cn1c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)ccc1[N+](=O)[O-] ZINC000444460641 560114113 /nfs/dbraw/zinc/11/41/13/560114113.db2.gz LGNLDFKNPLJWIS-UHFFFAOYSA-N 1 0 358.398 2.142 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445065168 560127796 /nfs/dbraw/zinc/12/77/96/560127796.db2.gz KHMURGDRYNYFPT-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@]3(CCO)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000447073129 560155969 /nfs/dbraw/zinc/15/59/69/560155969.db2.gz RNPZKRPUBSPWPQ-GOSISDBHSA-N 1 0 362.382 2.495 20 5 FEBDRO Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000447306797 560159844 /nfs/dbraw/zinc/15/98/44/560159844.db2.gz SGQVVNSPFKOMFI-CQSZACIVSA-N 1 0 370.413 2.208 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576099 560164681 /nfs/dbraw/zinc/16/46/81/560164681.db2.gz WKKRXOOESYDTNY-IRXDYDNUSA-N 1 0 371.441 2.224 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595721 560164974 /nfs/dbraw/zinc/16/49/74/560164974.db2.gz AOOKRYDVMNOOKA-KZNAEPCWSA-N 1 0 350.415 2.382 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000447966342 560174750 /nfs/dbraw/zinc/17/47/50/560174750.db2.gz KMBHEEBPTAJBIS-YJBOKZPZSA-N 1 0 362.382 2.493 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448735468 560197097 /nfs/dbraw/zinc/19/70/97/560197097.db2.gz SPQSVSKOSRKTGN-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000449358522 560226730 /nfs/dbraw/zinc/22/67/30/560226730.db2.gz OAMLBTJSXVKYAQ-ZDUSSCGKSA-N 1 0 362.407 2.264 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000449456011 560230735 /nfs/dbraw/zinc/23/07/35/560230735.db2.gz RWQKDNRBOGXGEV-KRWDZBQOSA-N 1 0 352.387 2.005 20 5 FEBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cn1 ZINC000449675538 560236445 /nfs/dbraw/zinc/23/64/45/560236445.db2.gz AKLIHNLNLQXQED-LBPRGKRZSA-N 1 0 362.386 2.214 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000449723652 560238205 /nfs/dbraw/zinc/23/82/05/560238205.db2.gz XHMBPKXDYMWMMN-UWVGGRQHSA-N 1 0 361.320 2.393 20 5 FEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449782089 560239818 /nfs/dbraw/zinc/23/98/18/560239818.db2.gz YNZQSTNRXGHPBT-CQSZACIVSA-N 1 0 366.414 2.395 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449785816 560240036 /nfs/dbraw/zinc/24/00/36/560240036.db2.gz JIFOFOYMMSAFGS-CYBMUJFWSA-N 1 0 362.455 2.217 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000449913461 560245135 /nfs/dbraw/zinc/24/51/35/560245135.db2.gz IQCCTRXSHKCCOR-HNNXBMFYSA-N 1 0 369.425 2.338 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449931060 560245732 /nfs/dbraw/zinc/24/57/32/560245732.db2.gz XWALEBNSBCUYBF-UKRRQHHQSA-N 1 0 357.414 2.335 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450052199 560249223 /nfs/dbraw/zinc/24/92/23/560249223.db2.gz KSQAAVVPIQCBLU-GJZGRUSLSA-N 1 0 357.414 2.383 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450052200 560249308 /nfs/dbraw/zinc/24/93/08/560249308.db2.gz KSQAAVVPIQCBLU-HUUCEWRRSA-N 1 0 357.414 2.383 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@@H+]1C1CC1 ZINC000450071309 560249919 /nfs/dbraw/zinc/24/99/19/560249919.db2.gz BBRQMQCOHBILMT-GXTWGEPZSA-N 1 0 355.398 2.136 20 5 FEBDRO COc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000450229959 560254992 /nfs/dbraw/zinc/25/49/92/560254992.db2.gz FJYLQHIMSLYUTF-UHFFFAOYSA-N 1 0 357.414 2.414 20 5 FEBDRO COCCC[NH+]1CCC(Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450303824 560257722 /nfs/dbraw/zinc/25/77/22/560257722.db2.gz JVVONSPECKVKTD-UHFFFAOYSA-N 1 0 374.441 2.486 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450595836 560267498 /nfs/dbraw/zinc/26/74/98/560267498.db2.gz MOGLOJUIXJJPGD-LBPRGKRZSA-N 1 0 369.393 2.169 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000450895993 560277263 /nfs/dbraw/zinc/27/72/63/560277263.db2.gz ZGSMGTHLJTYEEY-LBPRGKRZSA-N 1 0 352.822 2.039 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000451159768 560290669 /nfs/dbraw/zinc/29/06/69/560290669.db2.gz BUPWGGNIRKZMSY-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000451358680 560302424 /nfs/dbraw/zinc/30/24/24/560302424.db2.gz JNOSSWPWIJQDBO-UHFFFAOYSA-N 1 0 351.378 2.489 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505476 560310954 /nfs/dbraw/zinc/31/09/54/560310954.db2.gz UHHPNUVQNNAFNK-JQAFLVLXSA-N 1 0 351.403 2.191 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000451543479 560313480 /nfs/dbraw/zinc/31/34/80/560313480.db2.gz BYYMXQVWZADCLI-AEFFLSMTSA-N 1 0 364.442 2.331 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451558329 560314544 /nfs/dbraw/zinc/31/45/44/560314544.db2.gz GAGQYCWNIRRBLW-SWLSCSKDSA-N 1 0 351.403 2.289 20 5 FEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000452781384 560373704 /nfs/dbraw/zinc/37/37/04/560373704.db2.gz WITIAGSRXHOJAM-AWEZNQCLSA-N 1 0 351.451 2.153 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452798972 560374594 /nfs/dbraw/zinc/37/45/94/560374594.db2.gz POEFJTQSHMQGRA-CYBMUJFWSA-N 1 0 355.822 2.133 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000454107738 560429863 /nfs/dbraw/zinc/42/98/63/560429863.db2.gz RQCAOKYDBRWYFZ-OAHLLOKOSA-N 1 0 362.430 2.037 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000455316035 560477728 /nfs/dbraw/zinc/47/77/28/560477728.db2.gz NPKFXZULXHTSAT-OAHLLOKOSA-N 1 0 373.413 2.500 20 5 FEBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000455949032 560501715 /nfs/dbraw/zinc/50/17/15/560501715.db2.gz YTTDPBCUBDOPEL-MRXNPFEDSA-N 1 0 358.402 2.162 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000456054599 560505559 /nfs/dbraw/zinc/50/55/59/560505559.db2.gz LEWPMILQWMHZHQ-HNNXBMFYSA-N 1 0 373.413 2.073 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC1 ZINC000456199327 560510684 /nfs/dbraw/zinc/51/06/84/560510684.db2.gz ZKMFGRYWXOPMQV-UHFFFAOYSA-N 1 0 363.462 2.381 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000458161525 560606232 /nfs/dbraw/zinc/60/62/32/560606232.db2.gz HFMIVZFJSTXFBX-LBPRGKRZSA-N 1 0 358.398 2.310 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000458417037 560621630 /nfs/dbraw/zinc/62/16/30/560621630.db2.gz IWZKAOGBUNQSGD-PBHICJAKSA-N 1 0 361.446 2.051 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@](O)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459717184 560704123 /nfs/dbraw/zinc/70/41/23/560704123.db2.gz MFRJGTZXECVSLG-SFHVURJKSA-N 1 0 362.382 2.183 20 5 FEBDRO CO[C@@H]1C[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000459758917 560706625 /nfs/dbraw/zinc/70/66/25/560706625.db2.gz LOIYAOPJRPXKAT-JKSUJKDBSA-N 1 0 361.398 2.440 20 5 FEBDRO Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461788638 560783569 /nfs/dbraw/zinc/78/35/69/560783569.db2.gz YASCDDBRKLJKSB-OAHLLOKOSA-N 1 0 352.410 2.397 20 5 FEBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000466477182 560887631 /nfs/dbraw/zinc/88/76/31/560887631.db2.gz HUOKCEAYTAKCCZ-LBPRGKRZSA-N 1 0 350.371 2.350 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713618 560915403 /nfs/dbraw/zinc/91/54/03/560915403.db2.gz MVPPIATZXHFMAN-QLJPJBMISA-N 1 0 356.382 2.061 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000470176336 560976119 /nfs/dbraw/zinc/97/61/19/560976119.db2.gz WBRMAUXOYZIZJC-MBSJSRAVSA-N 1 0 367.471 2.259 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000472650009 561031971 /nfs/dbraw/zinc/03/19/71/561031971.db2.gz LJDXQKMMDVUZRE-UHFFFAOYSA-N 1 0 357.414 2.090 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472732953 561034082 /nfs/dbraw/zinc/03/40/82/561034082.db2.gz UKDSAYUJOIPCOW-LBPRGKRZSA-N 1 0 366.393 2.053 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000472956711 561038778 /nfs/dbraw/zinc/03/87/78/561038778.db2.gz SILOLXXXBVNRJY-INIZCTEOSA-N 1 0 364.446 2.237 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000473948122 561061638 /nfs/dbraw/zinc/06/16/38/561061638.db2.gz GSDFFPIECDHKKG-UHFFFAOYSA-N 1 0 357.476 2.478 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000473990444 561063022 /nfs/dbraw/zinc/06/30/22/561063022.db2.gz VOXAFWTVWKXSJW-CYBMUJFWSA-N 1 0 352.387 2.194 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000473993612 561063088 /nfs/dbraw/zinc/06/30/88/561063088.db2.gz ULOBVSBPBGDYJL-UHFFFAOYSA-N 1 0 361.446 2.323 20 5 FEBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000473995456 561063196 /nfs/dbraw/zinc/06/31/96/561063196.db2.gz LIJWBYPOUZLUKA-UKRRQHHQSA-N 1 0 352.387 2.194 20 5 FEBDRO CCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000474001822 561063338 /nfs/dbraw/zinc/06/33/38/561063338.db2.gz TZXWORZJLAMCMX-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000474808569 561083359 /nfs/dbraw/zinc/08/33/59/561083359.db2.gz KRNLOAZHGILQCB-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000474890567 561084984 /nfs/dbraw/zinc/08/49/84/561084984.db2.gz BDKRGRPTCBCFNF-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000475579602 561100218 /nfs/dbraw/zinc/10/02/18/561100218.db2.gz WGRLWORLEJKOQF-OAHLLOKOSA-N 1 0 364.446 2.426 20 5 FEBDRO COc1c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000476248081 561114442 /nfs/dbraw/zinc/11/44/42/561114442.db2.gz PENBQCZTXXRVGY-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])nn2C)ccc1OCC[NH+]1CCCC1 ZINC000477030913 561134712 /nfs/dbraw/zinc/13/47/12/561134712.db2.gz OBWMGXUDXGTWGA-UHFFFAOYSA-N 1 0 373.413 2.364 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000530491115 562413363 /nfs/dbraw/zinc/41/33/63/562413363.db2.gz DVORUFBOEQXAAW-MRXNPFEDSA-N 1 0 355.460 2.384 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530916987 562428543 /nfs/dbraw/zinc/42/85/43/562428543.db2.gz VZGOBSMPTIIFSU-DZGCQCFKSA-N 1 0 350.419 2.146 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000532046296 562465042 /nfs/dbraw/zinc/46/50/42/562465042.db2.gz WBPYBJRGBHQFEQ-OAHLLOKOSA-N 1 0 364.446 2.251 20 5 FEBDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000532971695 562494133 /nfs/dbraw/zinc/49/41/33/562494133.db2.gz OABLNQRJRMANBL-NSHDSACASA-N 1 0 353.375 2.007 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000533265079 562503125 /nfs/dbraw/zinc/50/31/25/562503125.db2.gz LJUAMABUJOUUBO-AWEZNQCLSA-N 1 0 362.430 2.209 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000534827498 562543317 /nfs/dbraw/zinc/54/33/17/562543317.db2.gz LECVICBTNOKICC-JKSUJKDBSA-N 1 0 364.471 2.287 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)ccc1=O ZINC000535714070 562565055 /nfs/dbraw/zinc/56/50/55/562565055.db2.gz RBSLACMUVIHXBU-UHFFFAOYSA-N 1 0 369.381 2.052 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000537013852 562583944 /nfs/dbraw/zinc/58/39/44/562583944.db2.gz SYPZOGCZIOGDRO-HZPDHXFCSA-N 1 0 353.444 2.041 20 5 FEBDRO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162335 562586844 /nfs/dbraw/zinc/58/68/44/562586844.db2.gz VDROBVQRGMRBBA-MGPUTAFESA-N 1 0 369.421 2.409 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CCO)c2ccccc2Br)n1 ZINC000541025234 562600767 /nfs/dbraw/zinc/60/07/67/562600767.db2.gz WUXOTQOJEZIUME-CYBMUJFWSA-N 1 0 369.219 2.267 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000541056346 562601639 /nfs/dbraw/zinc/60/16/39/562601639.db2.gz WYVYBYWYOPCKAA-INIZCTEOSA-N 1 0 365.430 2.463 20 5 FEBDRO C[C@@H](C[NH+](C)C)NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000569034653 568269891 /nfs/dbraw/zinc/26/98/91/568269891.db2.gz PIMIQTQNXBQJGW-JTQLQIEISA-N 1 0 362.352 2.482 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C2=O ZINC000569100800 568275656 /nfs/dbraw/zinc/27/56/56/568275656.db2.gz QRLMQBMPLIIXJI-ZBEGNZNMSA-N 1 0 366.805 2.188 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000569109339 568277745 /nfs/dbraw/zinc/27/77/45/568277745.db2.gz ZKDXULBLDAFNPG-PIJNTSGSSA-N 1 0 357.414 2.419 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000569109340 568277757 /nfs/dbraw/zinc/27/77/57/568277757.db2.gz ZKDXULBLDAFNPG-QKAYDNCFSA-N 1 0 357.414 2.419 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000569361596 568396158 /nfs/dbraw/zinc/39/61/58/568396158.db2.gz HJQBDEDTFUKOPU-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422987 568401802 /nfs/dbraw/zinc/40/18/02/568401802.db2.gz JYSZQZKVAFLMPP-INIZCTEOSA-N 1 0 372.473 2.071 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(O)Cc3ccccc3C2)n1 ZINC000569542723 568406747 /nfs/dbraw/zinc/40/67/47/568406747.db2.gz AUTIRLBXBKFEHR-IRXDYDNUSA-N 1 0 356.426 2.395 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000570890773 568612637 /nfs/dbraw/zinc/61/26/37/568612637.db2.gz HHICGEQXPAQSCD-HNNXBMFYSA-N 1 0 357.414 2.053 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000557631048 674458738 /nfs/dbraw/zinc/45/87/38/674458738.db2.gz BTMIZBQHEBAPPV-CYBMUJFWSA-N 1 0 350.419 2.761 20 5 FEBDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000558227346 674488734 /nfs/dbraw/zinc/48/87/34/674488734.db2.gz KIGLQNZJCZIPTQ-LSDHHAIUSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827951 674513595 /nfs/dbraw/zinc/51/35/95/674513595.db2.gz FEPWHMVWCGDUHE-UHFFFAOYSA-N 1 0 367.830 2.348 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000810376104 674542373 /nfs/dbraw/zinc/54/23/73/674542373.db2.gz KIMLGDAFEYMNJI-KRWDZBQOSA-N 1 0 353.394 2.302 20 5 FEBDRO C[C@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000560706985 674610885 /nfs/dbraw/zinc/61/08/85/674610885.db2.gz SWDTWTCIIXWSJG-SNVBAGLBSA-N 1 0 363.336 2.463 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000562885697 674819543 /nfs/dbraw/zinc/81/95/43/674819543.db2.gz BFOUNUXOGVRIRA-CHWSQXEVSA-N 1 0 351.403 2.293 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022297 674899753 /nfs/dbraw/zinc/89/97/53/674899753.db2.gz NVTFZHXSRODAEY-SECBINFHSA-N 1 0 365.814 2.007 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815034906 674904290 /nfs/dbraw/zinc/90/42/90/674904290.db2.gz GCYJAAXZQRKKKP-UHFFFAOYSA-N 1 0 367.830 2.396 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000564328012 674996276 /nfs/dbraw/zinc/99/62/76/674996276.db2.gz IHGSRVUSTUVGBF-LBPRGKRZSA-N 1 0 368.365 2.445 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000564845326 675067275 /nfs/dbraw/zinc/06/72/75/675067275.db2.gz UBQGBGUOUOVNDL-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114400450 670890317 /nfs/dbraw/zinc/89/03/17/670890317.db2.gz IHGOWUGYSVJUKZ-NEPJUHHUSA-N 1 0 355.822 2.426 20 5 FEBDRO C[C@@H](CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000572476970 671006889 /nfs/dbraw/zinc/00/68/89/671006889.db2.gz WEFUCEFREMLFIW-HNNXBMFYSA-N 1 0 369.487 2.223 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572497104 671009915 /nfs/dbraw/zinc/00/99/15/671009915.db2.gz BSIXJZAZVIWHST-CYBMUJFWSA-N 1 0 352.410 2.467 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000572780418 671044041 /nfs/dbraw/zinc/04/40/41/671044041.db2.gz JQKNZKWNSHBKIW-UHFFFAOYSA-N 1 0 359.835 2.140 20 5 FEBDRO CC(C)[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572804826 671046043 /nfs/dbraw/zinc/04/60/43/671046043.db2.gz ZVKGMKDFMKLBKN-GFCCVEGCSA-N 1 0 364.183 2.306 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000573089952 671081206 /nfs/dbraw/zinc/08/12/06/671081206.db2.gz MCHFIQUVVZZTHO-ZDUSSCGKSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3n[nH]cc3[N+](=O)[O-])C2)s1 ZINC000566059653 675176652 /nfs/dbraw/zinc/17/66/52/675176652.db2.gz QULPPEAABAEQLO-GFCCVEGCSA-N 1 0 363.443 2.282 20 5 FEBDRO CO[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000566107408 675181226 /nfs/dbraw/zinc/18/12/26/675181226.db2.gz JJNHEIMDMSFGCJ-QGZVFWFLSA-N 1 0 364.423 2.346 20 5 FEBDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000576345651 671362266 /nfs/dbraw/zinc/36/22/66/671362266.db2.gz MOSRUYCBFCNWAC-WFASDCNBSA-N 1 0 362.407 2.480 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000576514538 671373817 /nfs/dbraw/zinc/37/38/17/671373817.db2.gz QSCLXDZVEGLLAV-UHFFFAOYSA-N 1 0 355.460 2.308 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000576521909 671374824 /nfs/dbraw/zinc/37/48/24/671374824.db2.gz ZHWVWSBORVMCTI-ZDUSSCGKSA-N 1 0 367.833 2.005 20 5 FEBDRO CC(C)Oc1nc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000579258335 671723181 /nfs/dbraw/zinc/72/31/81/671723181.db2.gz JHVQPMRPBVYJSM-UHFFFAOYSA-N 1 0 352.435 2.060 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000580570228 671819061 /nfs/dbraw/zinc/81/90/61/671819061.db2.gz RXWOIVMFSORNDJ-MRXNPFEDSA-N 1 0 367.471 2.233 20 5 FEBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580900065 671844469 /nfs/dbraw/zinc/84/44/69/671844469.db2.gz GCZAHSZMWVASRT-WCBMZHEXSA-N 1 0 367.349 2.114 20 5 FEBDRO CC(C)Oc1nc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000581142308 671867621 /nfs/dbraw/zinc/86/76/21/671867621.db2.gz LOHBCTHOYRRNQC-CYBMUJFWSA-N 1 0 352.435 2.058 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000120066043 671915551 /nfs/dbraw/zinc/91/55/51/671915551.db2.gz RAHIECVLMXVRBV-RISCZKNCSA-N 1 0 371.484 2.294 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000610135418 675956242 /nfs/dbraw/zinc/95/62/42/675956242.db2.gz RPNIGPWYNYLVOO-KGLIPLIRSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135142 675956329 /nfs/dbraw/zinc/95/63/29/675956329.db2.gz KFRZMQVSKTWMGJ-UONOGXRCSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1ccccc1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581879643 671945388 /nfs/dbraw/zinc/94/53/88/671945388.db2.gz UDDUKRGLKYMTKV-UHFFFAOYSA-N 1 0 364.423 2.209 20 5 FEBDRO COCCN1[C@H](C)CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000121781792 671957194 /nfs/dbraw/zinc/95/71/94/671957194.db2.gz GOUDPZTYWFWVHW-BETUJISGSA-N 1 0 353.394 2.224 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000582121769 671970454 /nfs/dbraw/zinc/97/04/54/671970454.db2.gz HLSHKVSXUWYVMK-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610275048 675964360 /nfs/dbraw/zinc/96/43/60/675964360.db2.gz WTNWYFCPOYCEGJ-UHFFFAOYSA-N 1 0 366.487 2.475 20 5 FEBDRO Cc1cccnc1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583258926 672078610 /nfs/dbraw/zinc/07/86/10/672078610.db2.gz VPENAQDOWYTYAW-UHFFFAOYSA-N 1 0 363.439 2.294 20 5 FEBDRO CSc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000583586625 672109203 /nfs/dbraw/zinc/10/92/03/672109203.db2.gz BICKAVCFEXDWLH-ZDUSSCGKSA-N 1 0 363.443 2.083 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000583810161 672128343 /nfs/dbraw/zinc/12/83/43/672128343.db2.gz YVDZBUHXPLTEDD-QGZVFWFLSA-N 1 0 367.471 2.264 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000136227031 672137761 /nfs/dbraw/zinc/13/77/61/672137761.db2.gz FEGYWCIHJSTMQG-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000584782538 672215716 /nfs/dbraw/zinc/21/57/16/672215716.db2.gz PEUOHMNTTTXNMX-WCBMZHEXSA-N 1 0 367.349 2.032 20 5 FEBDRO O=C(N[C@H]1CCc2cncn2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000587036299 672439855 /nfs/dbraw/zinc/43/98/55/672439855.db2.gz UPDGTJWJNSNPFG-JTQLQIEISA-N 1 0 365.187 2.299 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CCc2cncn2C1 ZINC000587036167 672439893 /nfs/dbraw/zinc/43/98/93/672439893.db2.gz MBUISCGLCRUHBZ-JQWIXIFHSA-N 1 0 364.789 2.343 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000587983940 672443671 /nfs/dbraw/zinc/44/36/71/672443671.db2.gz UEHASCWCYAWNTP-SMDDNHRTSA-N 1 0 350.419 2.251 20 5 FEBDRO COc1ccc(CSCC(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000591684982 672701508 /nfs/dbraw/zinc/70/15/08/672701508.db2.gz WUDSVJOUSZNYLJ-UHFFFAOYSA-N 1 0 355.460 2.470 20 5 FEBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591765013 672708913 /nfs/dbraw/zinc/70/89/13/672708913.db2.gz YBKKPAOWAVFESB-WBVHZDCISA-N 1 0 351.447 2.045 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591845512 672715671 /nfs/dbraw/zinc/71/56/71/672715671.db2.gz XOWYXZUQEMADPD-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611792689 676055430 /nfs/dbraw/zinc/05/54/30/676055430.db2.gz KBGINRJCYFWQOB-MRXNPFEDSA-N 1 0 366.849 2.162 20 5 FEBDRO CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000592368074 672792641 /nfs/dbraw/zinc/79/26/41/672792641.db2.gz GDHKUOPIBHJTDA-CQSZACIVSA-N 1 0 364.427 2.092 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000592378326 672794542 /nfs/dbraw/zinc/79/45/42/672794542.db2.gz RNNSMTASXUETTL-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH2+]C[C@H]3C(F)F)o2)c1 ZINC000592982454 672860714 /nfs/dbraw/zinc/86/07/14/672860714.db2.gz GEWNQQWOTVRZRS-ZDUSSCGKSA-N 1 0 352.341 2.331 20 5 FEBDRO O=C(NCC1C[NH2+]C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000261930489 672905568 /nfs/dbraw/zinc/90/55/68/672905568.db2.gz CVGZPOGSLYRZSJ-UHFFFAOYSA-N 1 0 370.196 2.037 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593911170 673007122 /nfs/dbraw/zinc/00/71/22/673007122.db2.gz FJLQBBPMIDITFB-OZVIIMIRSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000593913905 673007691 /nfs/dbraw/zinc/00/76/91/673007691.db2.gz YLRFFBJZIKANMH-PEYYIBSZSA-N 1 0 351.378 2.092 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594020980 673021890 /nfs/dbraw/zinc/02/18/90/673021890.db2.gz OPRJQFRGKLVARF-OAHLLOKOSA-N 1 0 351.447 2.141 20 5 FEBDRO CS(=O)(=O)C1CC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000715252757 673073235 /nfs/dbraw/zinc/07/32/35/673073235.db2.gz WKOUGJWKSCPXOU-UHFFFAOYSA-N 1 0 363.233 2.023 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000725373844 673089343 /nfs/dbraw/zinc/08/93/43/673089343.db2.gz YTTRPYPDYSRYGQ-AWEZNQCLSA-N 1 0 367.471 2.385 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000594505382 673094701 /nfs/dbraw/zinc/09/47/01/673094701.db2.gz SXTZWVHDCDWRLD-AEFFLSMTSA-N 1 0 363.483 2.380 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000594525303 673094937 /nfs/dbraw/zinc/09/49/37/673094937.db2.gz VBELCWZMTXSFQJ-HIFRSBDPSA-N 1 0 359.348 2.435 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594789771 673143341 /nfs/dbraw/zinc/14/33/41/673143341.db2.gz KPXVFCPJENBWQO-LBPRGKRZSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594792311 673144289 /nfs/dbraw/zinc/14/42/89/673144289.db2.gz PHDNTDACLDTIAQ-AWEZNQCLSA-N 1 0 369.487 2.177 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000594854579 673165504 /nfs/dbraw/zinc/16/55/04/673165504.db2.gz RJPBNODOUNXTQJ-HNNXBMFYSA-N 1 0 367.471 2.421 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000594854671 673165551 /nfs/dbraw/zinc/16/55/51/673165551.db2.gz VGFVTSOXPWAHLQ-CYBMUJFWSA-N 1 0 353.444 2.280 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032990 673187875 /nfs/dbraw/zinc/18/78/75/673187875.db2.gz OLIWNWFUQOWSRE-SRCQZFHVSA-N 1 0 354.403 2.075 20 5 FEBDRO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000595131798 673198732 /nfs/dbraw/zinc/19/87/32/673198732.db2.gz OYMDBVQUPQNIOM-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1F ZINC000595261421 673215164 /nfs/dbraw/zinc/21/51/64/673215164.db2.gz ZRYSMIAQPYWAKZ-VXGBXAGGSA-N 1 0 350.375 2.230 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)c1 ZINC000595480859 673256220 /nfs/dbraw/zinc/25/62/20/673256220.db2.gz BQZDJDSWTDSWLI-STQMWFEESA-N 1 0 364.320 2.419 20 5 FEBDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000595922050 673340348 /nfs/dbraw/zinc/34/03/48/673340348.db2.gz NUJOIOLJALXFAO-KGLIPLIRSA-N 1 0 351.403 2.092 20 5 FEBDRO CC[NH+]1CCN(CCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596077309 673356687 /nfs/dbraw/zinc/35/66/87/673356687.db2.gz VCCOCJWTPPSJQE-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+](C)C1 ZINC000596121269 673360783 /nfs/dbraw/zinc/36/07/83/673360783.db2.gz YSQLZSCNVOCVFX-CYBMUJFWSA-N 1 0 370.475 2.037 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596424789 673384268 /nfs/dbraw/zinc/38/42/68/673384268.db2.gz LNQYPPLXAMWDPD-ZDUSSCGKSA-N 1 0 372.491 2.377 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597243176 673459536 /nfs/dbraw/zinc/45/95/36/673459536.db2.gz GOOUEOUCMJEJAT-UHFFFAOYSA-N 1 0 352.412 2.252 20 5 FEBDRO COc1cc(C[NH2+]CC[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000735084291 673481377 /nfs/dbraw/zinc/48/13/77/673481377.db2.gz FGQLJOFMWGKATP-XMMPIXPASA-N 1 0 370.349 2.013 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274958 673482022 /nfs/dbraw/zinc/48/20/22/673482022.db2.gz BRDIZTIFLNYWLU-UONOGXRCSA-N 1 0 358.320 2.436 20 5 FEBDRO C[NH+](C)CC1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000597708844 673501174 /nfs/dbraw/zinc/50/11/74/673501174.db2.gz PQSFVYLOVFDBGJ-UHFFFAOYSA-N 1 0 361.320 2.170 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598572891 673585098 /nfs/dbraw/zinc/58/50/98/673585098.db2.gz MLDYWJWMNOPHBK-HNNXBMFYSA-N 1 0 367.471 2.403 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598600594 673588333 /nfs/dbraw/zinc/58/83/33/673588333.db2.gz VDDVPRIPIZFCIP-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000598714965 673602584 /nfs/dbraw/zinc/60/25/84/673602584.db2.gz LDOICTAXAQMHKB-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072254 673631341 /nfs/dbraw/zinc/63/13/41/673631341.db2.gz HQDKFMUGHKLWHV-NUEKZKHPSA-N 1 0 369.487 2.366 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000543678995 673661263 /nfs/dbraw/zinc/66/12/63/673661263.db2.gz CKWWOGWGCWRDIY-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1C ZINC000599414245 673672475 /nfs/dbraw/zinc/67/24/75/673672475.db2.gz BTWXUTCMQQNZLD-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464462 673678645 /nfs/dbraw/zinc/67/86/45/673678645.db2.gz LRODWFCNGPZUDN-CQSZACIVSA-N 1 0 353.444 2.198 20 5 FEBDRO CC1(C)CCC[C@@](CO)([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599593412 673695017 /nfs/dbraw/zinc/69/50/17/673695017.db2.gz CTVSODNQIXHUKN-QGZVFWFLSA-N 1 0 370.471 2.289 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000742139108 673708361 /nfs/dbraw/zinc/70/83/61/673708361.db2.gz TWVYBEIWDLLXPC-CYBMUJFWSA-N 1 0 353.394 2.446 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000544660240 673724090 /nfs/dbraw/zinc/72/40/90/673724090.db2.gz NIVFREMFFCOWOJ-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000600314229 673757840 /nfs/dbraw/zinc/75/78/40/673757840.db2.gz OEPQHINSXWJWGI-CYBMUJFWSA-N 1 0 367.471 2.141 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C23CCC3)c(F)c1N1CCOCC1 ZINC000600675953 673791141 /nfs/dbraw/zinc/79/11/41/673791141.db2.gz QGXIONUQHLSIGJ-AWEZNQCLSA-N 1 0 350.394 2.267 20 5 FEBDRO COc1cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600777456 673798292 /nfs/dbraw/zinc/79/82/92/673798292.db2.gz UJODETCHLNNXFY-CMPLNLGQSA-N 1 0 359.373 2.477 20 5 FEBDRO COc1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(F)cc1Br ZINC000601110574 673826764 /nfs/dbraw/zinc/82/67/64/673826764.db2.gz FXAKUBNCIPYJRA-UHFFFAOYSA-N 1 0 373.182 2.491 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000601320280 673842175 /nfs/dbraw/zinc/84/21/75/673842175.db2.gz YBWHQFBPSKDQDD-LBPRGKRZSA-N 1 0 359.473 2.214 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])s1 ZINC000601341494 673845088 /nfs/dbraw/zinc/84/50/88/673845088.db2.gz CYMKZHIBVJQCHK-VXGBXAGGSA-N 1 0 359.473 2.260 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000601351363 673846592 /nfs/dbraw/zinc/84/65/92/673846592.db2.gz FRZXWVPQFMEVLY-GWCFXTLKSA-N 1 0 359.835 2.011 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601355283 673847259 /nfs/dbraw/zinc/84/72/59/673847259.db2.gz NAXYKFYYEKCRKE-CMPLNLGQSA-N 1 0 361.489 2.458 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000601434370 673861679 /nfs/dbraw/zinc/86/16/79/673861679.db2.gz GVNNQXYQAWFYDP-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601502179 673871860 /nfs/dbraw/zinc/87/18/60/673871860.db2.gz MJNWJMFANNULKX-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000602168602 673902812 /nfs/dbraw/zinc/90/28/12/673902812.db2.gz XGVWXHKDBNSZEK-XBXGTLAGSA-N 1 0 365.455 2.036 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000602486410 673906675 /nfs/dbraw/zinc/90/66/75/673906675.db2.gz UDZULMVLFPQCBR-AWEZNQCLSA-N 1 0 354.204 2.183 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000602510429 673906880 /nfs/dbraw/zinc/90/68/80/673906880.db2.gz IHOHJVDZHGXNBB-SECBINFHSA-N 1 0 352.334 2.138 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C2(CCO)CCOCC2)cc1Br ZINC000602500997 673906987 /nfs/dbraw/zinc/90/69/87/673906987.db2.gz SECQBTUIVAZIHC-UHFFFAOYSA-N 1 0 365.249 2.440 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000602527854 673907476 /nfs/dbraw/zinc/90/74/76/673907476.db2.gz HNUQNDFWTLSWLO-OTYXRUKQSA-N 1 0 354.204 2.311 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602538265 673907664 /nfs/dbraw/zinc/90/76/64/673907664.db2.gz BVGNMXDAWNYFQX-MNOVXSKESA-N 1 0 361.320 2.203 20 5 FEBDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545654 673908076 /nfs/dbraw/zinc/90/80/76/673908076.db2.gz IATXRVRJNMDCNN-LLVKDONJSA-N 1 0 353.238 2.296 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576908 673908325 /nfs/dbraw/zinc/90/83/25/673908325.db2.gz LSNJDVJYYYADPG-PSASIEDQSA-N 1 0 362.249 2.423 20 5 FEBDRO Cn1cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])n1 ZINC000602823428 673911680 /nfs/dbraw/zinc/91/16/80/673911680.db2.gz KTLMJLZBGUHIBL-MRXNPFEDSA-N 1 0 350.806 2.473 20 5 FEBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000603389241 673928880 /nfs/dbraw/zinc/92/88/80/673928880.db2.gz ASFYDVXPCCINON-NWDGAFQWSA-N 1 0 361.489 2.397 20 5 FEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000603400375 673929678 /nfs/dbraw/zinc/92/96/78/673929678.db2.gz GXYAFKIGEMSYIE-LLVKDONJSA-N 1 0 363.443 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCS(=O)(=O)c2ccccc2)cc1 ZINC000818981060 675249516 /nfs/dbraw/zinc/24/95/16/675249516.db2.gz NTIWENSMTILQBD-QGZVFWFLSA-N 1 0 364.423 2.082 20 5 FEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000567451900 675294433 /nfs/dbraw/zinc/29/44/33/675294433.db2.gz HYXAXPNQNBXRBR-VYDXJSESSA-N 1 0 351.447 2.187 20 5 FEBDRO C[NH+]1CCC(ONC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000819692143 675309707 /nfs/dbraw/zinc/30/97/07/675309707.db2.gz HYITYBPNAXNSTL-UHFFFAOYSA-N 1 0 372.219 2.042 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000567771249 675320698 /nfs/dbraw/zinc/32/06/98/675320698.db2.gz WQIQEKIKZFHWQD-IUODEOHRSA-N 1 0 355.460 2.118 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000822215767 675473193 /nfs/dbraw/zinc/47/31/93/675473193.db2.gz RAULVILPBPQXNY-UHFFFAOYSA-N 1 0 356.810 2.277 20 5 FEBDRO C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000822788984 675506936 /nfs/dbraw/zinc/50/69/36/675506936.db2.gz QYGNMWRRPXMGIT-SECBINFHSA-N 1 0 356.220 2.192 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000823851582 675574658 /nfs/dbraw/zinc/57/46/58/675574658.db2.gz PVEXTLFKBHFHQH-UHFFFAOYSA-N 1 0 352.410 2.404 20 5 FEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000825269571 675644432 /nfs/dbraw/zinc/64/44/32/675644432.db2.gz QGFNAOTXUUQXTC-JTQLQIEISA-N 1 0 360.183 2.367 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCCCC1 ZINC000825505910 675656565 /nfs/dbraw/zinc/65/65/65/675656565.db2.gz ZLKSNIBUNWZYET-GFCCVEGCSA-N 1 0 352.410 2.404 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000827472981 675758500 /nfs/dbraw/zinc/75/85/00/675758500.db2.gz DSKXICWMNHVZDX-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000604105737 675803577 /nfs/dbraw/zinc/80/35/77/675803577.db2.gz VKFIAGCFEGUXMX-UHFFFAOYSA-N 1 0 350.419 2.087 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000616088194 676239234 /nfs/dbraw/zinc/23/92/34/676239234.db2.gz XEQBGNDEHWBXHS-UHFFFAOYSA-N 1 0 365.411 2.244 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000619476571 676379322 /nfs/dbraw/zinc/37/93/22/676379322.db2.gz MSRFFEFBKFLRLL-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO O=C(COc1cc([N+](=O)[O-])ccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000747811469 679904397 /nfs/dbraw/zinc/90/43/97/679904397.db2.gz RQMUCESUEIFHLX-UHFFFAOYSA-N 1 0 353.806 2.370 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000748098660 679930361 /nfs/dbraw/zinc/93/03/61/679930361.db2.gz KUWLQEQNBVWYKP-MEDUHNTESA-N 1 0 366.805 2.058 20 5 FEBDRO CCO[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831703781 680028589 /nfs/dbraw/zinc/02/85/89/680028589.db2.gz XNHKUXFHNVCYTC-SNVBAGLBSA-N 1 0 374.235 2.054 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831714201 680030692 /nfs/dbraw/zinc/03/06/92/680030692.db2.gz VBILBUYBGSROCB-NSHDSACASA-N 1 0 363.336 2.310 20 5 FEBDRO CC1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[S@]1=O ZINC000832026112 680078336 /nfs/dbraw/zinc/07/83/36/680078336.db2.gz RGWFJVUFIYOPAE-RUZDIDTESA-N 1 0 371.434 2.296 20 5 FEBDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072652 680221838 /nfs/dbraw/zinc/22/18/38/680221838.db2.gz JFXTXDIMCIEULZ-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000834846364 680276543 /nfs/dbraw/zinc/27/65/43/680276543.db2.gz UJAIVCKGPBLDJE-HIFRSBDPSA-N 1 0 353.806 2.217 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650980 680317790 /nfs/dbraw/zinc/31/77/90/680317790.db2.gz ZGVRUPNENFHUBJ-RTWAVKEYSA-N 1 0 355.797 2.129 20 5 FEBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000754247092 680345298 /nfs/dbraw/zinc/34/52/98/680345298.db2.gz ORUZUXVHCKCHRQ-LLVKDONJSA-N 1 0 350.400 2.017 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000754386785 680353396 /nfs/dbraw/zinc/35/33/96/680353396.db2.gz LOLROFVCSWDDNW-CQSZACIVSA-N 1 0 370.452 2.143 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000754386781 680353575 /nfs/dbraw/zinc/35/35/75/680353575.db2.gz LOLROFVCSWDDNW-AWEZNQCLSA-N 1 0 370.452 2.143 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000836708546 680502641 /nfs/dbraw/zinc/50/26/41/680502641.db2.gz UXGAXYAISKWZAI-UHFFFAOYSA-N 1 0 355.822 2.133 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001005381480 680573242 /nfs/dbraw/zinc/57/32/42/680573242.db2.gz LHIBYMBQLTURTP-NVXWUHKLSA-N 1 0 365.861 2.471 20 5 FEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837303115 680584825 /nfs/dbraw/zinc/58/48/25/680584825.db2.gz VOKASODMLWUNRL-APPZFPTMSA-N 1 0 360.183 2.448 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000759109474 680627615 /nfs/dbraw/zinc/62/76/15/680627615.db2.gz XMKQQIZVUWQYGA-YPMHNXCESA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842479143 680949441 /nfs/dbraw/zinc/94/94/41/680949441.db2.gz XODGIKCHVFKHDD-GRYCIOLGSA-N 1 0 354.838 2.492 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000842484037 680950363 /nfs/dbraw/zinc/95/03/63/680950363.db2.gz WFNYHXUDKNVBAP-GFCCVEGCSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842689529 680959673 /nfs/dbraw/zinc/95/96/73/680959673.db2.gz ILJNTZPAAWAQHA-JQWIXIFHSA-N 1 0 361.851 2.447 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000843066479 680985480 /nfs/dbraw/zinc/98/54/80/680985480.db2.gz RJIGULNEBQQZKW-BLLLJJGKSA-N 1 0 366.801 2.311 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843358405 680999636 /nfs/dbraw/zinc/99/96/36/680999636.db2.gz NHDJPBBGJPQLHJ-GFCCVEGCSA-N 1 0 358.364 2.345 20 5 FEBDRO C[C@H]([C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCOCC1 ZINC000770021169 681003223 /nfs/dbraw/zinc/00/32/23/681003223.db2.gz SWDYKOLZNZGDKR-WDEREUQCSA-N 1 0 356.810 2.479 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000843501230 681007336 /nfs/dbraw/zinc/00/73/36/681007336.db2.gz FZOVNAIQKXJHBD-BREBYQMCSA-N 1 0 350.375 2.257 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000843759089 681016881 /nfs/dbraw/zinc/01/68/81/681016881.db2.gz GUKIFWUYSRXVLG-TXEJJXNPSA-N 1 0 353.394 2.271 20 5 FEBDRO CC[NH+](CC)CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000772130680 681087375 /nfs/dbraw/zinc/08/73/75/681087375.db2.gz ATZYGBOJUDVLGQ-LBPRGKRZSA-N 1 0 369.443 2.146 20 5 FEBDRO CC[N@H+](C)C[C@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846896271 681304567 /nfs/dbraw/zinc/30/45/67/681304567.db2.gz VULQUOVAKIZIPM-NSHDSACASA-N 1 0 372.263 2.028 20 5 FEBDRO COCC[NH+]1CCC(OC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000847881153 681445197 /nfs/dbraw/zinc/44/51/97/681445197.db2.gz HVPQQBRYTGAAEI-UHFFFAOYSA-N 1 0 351.403 2.051 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933973558 681490519 /nfs/dbraw/zinc/49/05/19/681490519.db2.gz MGNRLXZFJXTRMR-CQSZACIVSA-N 1 0 350.448 2.013 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934337737 681554712 /nfs/dbraw/zinc/55/47/12/681554712.db2.gz USASEVHNFQOTJS-HIFRSBDPSA-N 1 0 363.439 2.356 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581891 681582869 /nfs/dbraw/zinc/58/28/69/681582869.db2.gz ZHPVXCZVXLANLJ-VXGBXAGGSA-N 1 0 355.341 2.309 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850548424 681915627 /nfs/dbraw/zinc/91/56/27/681915627.db2.gz RCDWVHXLLOFOJB-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782026257 681999418 /nfs/dbraw/zinc/99/94/18/681999418.db2.gz REQIZGHJTCAMOF-GFCCVEGCSA-N 1 0 350.375 2.036 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000915227335 685513375 /nfs/dbraw/zinc/51/33/75/685513375.db2.gz SFCYKFMYODJPRM-NVXWUHKLSA-N 1 0 366.801 2.311 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851813063 682144457 /nfs/dbraw/zinc/14/44/57/682144457.db2.gz PDOMJKHVMFRDLO-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000783562603 682153989 /nfs/dbraw/zinc/15/39/89/682153989.db2.gz KPQQVPJFHOJTOJ-HNNXBMFYSA-N 1 0 352.866 2.460 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000917760161 685534499 /nfs/dbraw/zinc/53/44/99/685534499.db2.gz CGQRGNXPEQCNQJ-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000852762397 682338606 /nfs/dbraw/zinc/33/86/06/682338606.db2.gz MGLRQEVMKGLPBZ-WRWORJQWSA-N 1 0 368.743 2.397 20 5 FEBDRO C[C@H](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000853799427 682471305 /nfs/dbraw/zinc/47/13/05/682471305.db2.gz QJUUEKAIWJWUKN-SECBINFHSA-N 1 0 351.375 2.343 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000788882353 682561982 /nfs/dbraw/zinc/56/19/82/682561982.db2.gz TWBNKWSFBNPPFN-CYBMUJFWSA-N 1 0 361.489 2.445 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855285966 682653721 /nfs/dbraw/zinc/65/37/21/682653721.db2.gz KELRATMXENPLJK-LBPRGKRZSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000790935784 682714114 /nfs/dbraw/zinc/71/41/14/682714114.db2.gz JMVVFAQNLAJSKK-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000856729804 682799681 /nfs/dbraw/zinc/79/96/81/682799681.db2.gz VMFZQTDPOWOHFX-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000857765887 682910679 /nfs/dbraw/zinc/91/06/79/682910679.db2.gz LMUZYNDLWLPIJI-LERXQTSPSA-N 1 0 355.341 2.152 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000857765899 682910720 /nfs/dbraw/zinc/91/07/20/682910720.db2.gz LPJHANCZVOQSMD-DDTOSNHZSA-N 1 0 355.341 2.152 20 5 FEBDRO O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766589 682911026 /nfs/dbraw/zinc/91/10/26/682911026.db2.gz PMSHOMVOPBGSJU-OAHLLOKOSA-N 1 0 355.341 2.169 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795698282 683082250 /nfs/dbraw/zinc/08/22/50/683082250.db2.gz DCNJFCVMEBXTER-WDEREUQCSA-N 1 0 358.240 2.070 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000859348249 683089976 /nfs/dbraw/zinc/08/99/76/683089976.db2.gz NKROQURZWFEMIH-CYBMUJFWSA-N 1 0 371.434 2.338 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000795816702 683095119 /nfs/dbraw/zinc/09/51/19/683095119.db2.gz XLFTWWQZZNRVSR-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(C)C ZINC000795939474 683110272 /nfs/dbraw/zinc/11/02/72/683110272.db2.gz COBRKRPIJUTMQW-UHFFFAOYSA-N 1 0 367.830 2.396 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000797832383 683278434 /nfs/dbraw/zinc/27/84/34/683278434.db2.gz XRIFPLISWPXJLF-GFCCVEGCSA-N 1 0 359.423 2.193 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294666 683332394 /nfs/dbraw/zinc/33/23/94/683332394.db2.gz HPJXXODAFPHDBJ-SKDRFNHKSA-N 1 0 371.235 2.165 20 5 FEBDRO C[NH+](C)CC1(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000798574178 683365217 /nfs/dbraw/zinc/36/52/17/683365217.db2.gz SQTFVSHFMHLLCN-UHFFFAOYSA-N 1 0 350.375 2.036 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861341330 683391385 /nfs/dbraw/zinc/39/13/85/683391385.db2.gz PLVQEIQNWUMQNA-CXAGYDPISA-N 1 0 352.387 2.260 20 5 FEBDRO C[C@@H]1[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928456115 683455635 /nfs/dbraw/zinc/45/56/35/683455635.db2.gz NTEWBRURSPVMHZ-SKDRFNHKSA-N 1 0 361.320 2.358 20 5 FEBDRO COCCN1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000862098933 683529544 /nfs/dbraw/zinc/52/95/44/683529544.db2.gz IQBLJPWPVZWVAR-TXEJJXNPSA-N 1 0 355.822 2.429 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171156 683556556 /nfs/dbraw/zinc/55/65/56/683556556.db2.gz GXHAFDMQKLIQPH-CHWSQXEVSA-N 1 0 360.336 2.222 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000862959321 683655710 /nfs/dbraw/zinc/65/57/10/683655710.db2.gz SPESRMOGQATZPR-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000930768804 683781946 /nfs/dbraw/zinc/78/19/46/683781946.db2.gz JYZPQANCYJFJIX-TZMCWYRMSA-N 1 0 366.443 2.305 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000864612275 683872903 /nfs/dbraw/zinc/87/29/03/683872903.db2.gz WAHMDIGQHDMFCK-UHFFFAOYSA-N 1 0 356.220 2.112 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000864660185 683877767 /nfs/dbraw/zinc/87/77/67/683877767.db2.gz COPYMVPYNQFYLG-UHFFFAOYSA-N 1 0 365.821 2.279 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000866338754 684092972 /nfs/dbraw/zinc/09/29/72/684092972.db2.gz XHSVYBRVCSMHNF-IRXDYDNUSA-N 1 0 368.455 2.306 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000866452399 684106346 /nfs/dbraw/zinc/10/63/46/684106346.db2.gz FQCFZUDAKJCNDD-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866892544 684175518 /nfs/dbraw/zinc/17/55/18/684175518.db2.gz VEHPSQFISFCGHF-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000867381038 684264224 /nfs/dbraw/zinc/26/42/24/684264224.db2.gz AMVNARONPACVDF-HUUCEWRRSA-N 1 0 367.446 2.315 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000923537326 684301262 /nfs/dbraw/zinc/30/12/62/684301262.db2.gz UBHNLMHTMVHMKM-MRXNPFEDSA-N 1 0 352.822 2.405 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000867744409 684370880 /nfs/dbraw/zinc/37/08/80/684370880.db2.gz VVASWBWPXRPFFB-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869189176 684591508 /nfs/dbraw/zinc/59/15/08/684591508.db2.gz NOMKAQLIFRVESD-TXEJJXNPSA-N 1 0 370.247 2.356 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000872229229 684929633 /nfs/dbraw/zinc/92/96/33/684929633.db2.gz NMPUXCVPHKNENI-CABCVRRESA-N 1 0 350.415 2.131 20 5 FEBDRO Cc1c(C[NH2+]C[C@]2(N3CCOCC3)CCSC2)cccc1[N+](=O)[O-] ZINC000873020185 685051857 /nfs/dbraw/zinc/05/18/57/685051857.db2.gz IMYVBGWWVKGFLA-QGZVFWFLSA-N 1 0 351.472 2.201 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910928806 685140393 /nfs/dbraw/zinc/14/03/93/685140393.db2.gz RVNMSEMPSVIZMR-CHWSQXEVSA-N 1 0 369.849 2.094 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877170693 686336089 /nfs/dbraw/zinc/33/60/89/686336089.db2.gz SPQIPSCPGHCDEQ-DTORHVGOSA-N 1 0 358.167 2.073 20 5 FEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000877332774 686355706 /nfs/dbraw/zinc/35/57/06/686355706.db2.gz HYNWJTUZCRPUPS-CQSZACIVSA-N 1 0 353.806 2.137 20 5 FEBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1COCC12OCCO2 ZINC000877585433 686415955 /nfs/dbraw/zinc/41/59/55/686415955.db2.gz SSAKCBSLBCAAHB-INIZCTEOSA-N 1 0 350.415 2.143 20 5 FEBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1COCC12OCCO2 ZINC000877585434 686416151 /nfs/dbraw/zinc/41/61/51/686416151.db2.gz SSAKCBSLBCAAHB-MRXNPFEDSA-N 1 0 350.415 2.143 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320618 686794772 /nfs/dbraw/zinc/79/47/72/686794772.db2.gz HXYRZBHBXVYTDA-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879320937 686794991 /nfs/dbraw/zinc/79/49/91/686794991.db2.gz KDTJAJRQQUFEIW-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000879731127 686896383 /nfs/dbraw/zinc/89/63/83/686896383.db2.gz IEIZQUHZJFBVRZ-NVXWUHKLSA-N 1 0 350.415 2.416 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000882115757 687306656 /nfs/dbraw/zinc/30/66/56/687306656.db2.gz GBXKJKJAOCFGPU-UHFFFAOYSA-N 1 0 351.426 2.124 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000882218753 687326930 /nfs/dbraw/zinc/32/69/30/687326930.db2.gz UFELIBSNTRREFP-HNNXBMFYSA-N 1 0 373.862 2.273 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000882501320 687379398 /nfs/dbraw/zinc/37/93/98/687379398.db2.gz RELCBUHIIYQZFT-WCQYABFASA-N 1 0 373.862 2.271 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([NH2+]C3CCOCC3)C2)s1 ZINC000882727256 687458357 /nfs/dbraw/zinc/45/83/57/687458357.db2.gz QDVMJEYFZNGYTB-GFCCVEGCSA-N 1 0 363.443 2.337 20 5 FEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000884357283 687855928 /nfs/dbraw/zinc/85/59/28/687855928.db2.gz VIZJSMAYNNXLJX-VXGBXAGGSA-N 1 0 356.220 2.142 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884958809 687975653 /nfs/dbraw/zinc/97/56/53/687975653.db2.gz DXGVFBAERVJNJD-NWDGAFQWSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000885857830 688170365 /nfs/dbraw/zinc/17/03/65/688170365.db2.gz IHAXSWTXDBVRPS-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO CCC[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000886732478 688297431 /nfs/dbraw/zinc/29/74/31/688297431.db2.gz HJRHUQOYVPITTA-HNNXBMFYSA-N 1 0 355.460 2.450 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889745028 688814884 /nfs/dbraw/zinc/81/48/84/688814884.db2.gz QWDOLJQJEXRCDC-CHWSQXEVSA-N 1 0 371.796 2.059 20 5 FEBDRO CCN1CC[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000895669065 689752321 /nfs/dbraw/zinc/75/23/21/689752321.db2.gz YNGKTEWJNKWQHH-LBPRGKRZSA-N 1 0 359.373 2.431 20 5 FEBDRO COc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000896522333 689884767 /nfs/dbraw/zinc/88/47/67/689884767.db2.gz NILZYPCDCMFWFR-ZDUSSCGKSA-N 1 0 351.403 2.277 20 5 FEBDRO COc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Cl)cc1[N+](=O)[O-] ZINC000897220737 689990248 /nfs/dbraw/zinc/99/02/48/689990248.db2.gz YLPKVTJHLHDMCX-OLZOCXBDSA-N 1 0 355.822 2.292 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898125172 690131806 /nfs/dbraw/zinc/13/18/06/690131806.db2.gz VHRMZEXDABXXCL-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000899562663 690378787 /nfs/dbraw/zinc/37/87/87/690378787.db2.gz ABGDDJBCMNUOFP-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903216559 690868170 /nfs/dbraw/zinc/86/81/70/690868170.db2.gz DCTCHJKZQRYSCP-KGLIPLIRSA-N 1 0 357.204 2.395 20 5 FEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000905360458 691108403 /nfs/dbraw/zinc/10/84/03/691108403.db2.gz QXAPLACORZVCTJ-MRXNPFEDSA-N 1 0 367.471 2.135 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905378116 691111320 /nfs/dbraw/zinc/11/13/20/691111320.db2.gz FGCVMMWTYORDJI-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000905622621 691153211 /nfs/dbraw/zinc/15/32/11/691153211.db2.gz DFECGYIPIFLUDE-HZPDHXFCSA-N 1 0 350.415 2.416 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000906458557 691271635 /nfs/dbraw/zinc/27/16/35/691271635.db2.gz GQYUSJLTQICUNX-GJZGRUSLSA-N 1 0 367.833 2.160 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)Oc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000907643347 691530267 /nfs/dbraw/zinc/53/02/67/691530267.db2.gz PPLPOCKSLHGRBZ-UHFFFAOYSA-N 1 0 356.322 2.274 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868327 721048114 /nfs/dbraw/zinc/04/81/14/721048114.db2.gz NTSWVYCIQFWWAO-SJORKVTESA-N 1 0 369.425 2.173 20 5 FEBDRO Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164867071 721063578 /nfs/dbraw/zinc/06/35/78/721063578.db2.gz HKZBHIGGRHLJQN-DLBZAZTESA-N 1 0 369.425 2.173 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932466 721858322 /nfs/dbraw/zinc/85/83/22/721858322.db2.gz XZSQQONGHBSNNC-MSOLQXFVSA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054227 722011772 /nfs/dbraw/zinc/01/17/72/722011772.db2.gz SLYDHTGUQININT-UHFFFAOYSA-N 1 0 364.409 2.298 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNc3nc4sccn4c3[N+](=O)[O-])cn2)CC1 ZINC000023617879 539716607 /nfs/dbraw/zinc/71/66/07/539716607.db2.gz UQEUBUYYUMYRIG-UHFFFAOYSA-N 1 0 373.442 2.063 20 5 FEBDRO Cc1c(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000031464426 539908490 /nfs/dbraw/zinc/90/84/90/539908490.db2.gz FWRUJPAEKVCDEL-UHFFFAOYSA-N 1 0 370.409 2.447 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441117 539939101 /nfs/dbraw/zinc/93/91/01/539939101.db2.gz ISYLGAQFYKQYQX-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000041443474 540021805 /nfs/dbraw/zinc/02/18/05/540021805.db2.gz PZFXAXOQINPNTO-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041787918 540032791 /nfs/dbraw/zinc/03/27/91/540032791.db2.gz WZSCVISBBOFCRB-AWEZNQCLSA-N 1 0 362.430 2.162 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000046034218 540238573 /nfs/dbraw/zinc/23/85/73/540238573.db2.gz JNAURAZBYIIOOQ-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000047523827 540316372 /nfs/dbraw/zinc/31/63/72/540316372.db2.gz WLSGENGWYUZDTJ-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000048721900 540371381 /nfs/dbraw/zinc/37/13/81/540371381.db2.gz ZZQPOUPOKZUJDI-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000048721804 540371403 /nfs/dbraw/zinc/37/14/03/540371403.db2.gz IJMJMCYRFAHMMW-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000049131550 540381720 /nfs/dbraw/zinc/38/17/20/540381720.db2.gz ARGMUGVKVNFEDQ-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051735960 540441746 /nfs/dbraw/zinc/44/17/46/540441746.db2.gz AEJFSSHNWOPUEN-ZDUSSCGKSA-N 1 0 363.439 2.478 20 5 FEBDRO CCOc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000053251546 540520670 /nfs/dbraw/zinc/52/06/70/540520670.db2.gz SUHGOICNBUEXGU-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000053275156 540523173 /nfs/dbraw/zinc/52/31/73/540523173.db2.gz ZAWGWYHEYRIVRM-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CNC(=O)c1ccc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053557670 540543123 /nfs/dbraw/zinc/54/31/23/540543123.db2.gz KMDAGRRXVXWIJC-UHFFFAOYSA-N 1 0 354.410 2.425 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000053992404 540563104 /nfs/dbraw/zinc/56/31/04/540563104.db2.gz SHAULGGGYLKLRN-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000076294539 542256793 /nfs/dbraw/zinc/25/67/93/542256793.db2.gz UMUSQQIOZLQFMG-KGLIPLIRSA-N 1 0 363.414 2.315 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000055281230 540642978 /nfs/dbraw/zinc/64/29/78/540642978.db2.gz QFGZOAQOURMSKT-CYBMUJFWSA-N 1 0 355.460 2.304 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055986408 540692507 /nfs/dbraw/zinc/69/25/07/540692507.db2.gz UQOSQVVUYNEZLS-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000057700811 540808881 /nfs/dbraw/zinc/80/88/81/540808881.db2.gz YFYGJVWJIISNCH-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374105 541108890 /nfs/dbraw/zinc/10/88/90/541108890.db2.gz KMCJRJAZBLSACW-OAHLLOKOSA-N 1 0 355.398 2.091 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061647389 541136892 /nfs/dbraw/zinc/13/68/92/541136892.db2.gz HNBAOVLHDNVMBR-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO C[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064244245 541197254 /nfs/dbraw/zinc/19/72/54/541197254.db2.gz RESUBPJWQRTROY-UHFFFAOYSA-N 1 0 369.468 2.457 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000064598165 541212331 /nfs/dbraw/zinc/21/23/31/541212331.db2.gz HADLJKCREMWJOI-HNNXBMFYSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065424200 541237232 /nfs/dbraw/zinc/23/72/32/541237232.db2.gz YMRVXNAMPJWESZ-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000065602475 541247669 /nfs/dbraw/zinc/24/76/69/541247669.db2.gz QUEKCZWOESQIEF-OAHLLOKOSA-N 1 0 374.397 2.326 20 5 FEBDRO CC[NH+](CC)CCCCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000065944926 541274187 /nfs/dbraw/zinc/27/41/87/541274187.db2.gz CFIJNRDUDPUNNU-UHFFFAOYSA-N 1 0 358.464 2.037 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105794 541282865 /nfs/dbraw/zinc/28/28/65/541282865.db2.gz QFOCRANUWXBGBK-OAHLLOKOSA-N 1 0 353.444 2.016 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCCC[C@@H]1C ZINC000067137134 541422575 /nfs/dbraw/zinc/42/25/75/541422575.db2.gz WBMNLXQEQCKGID-KBPBESRZSA-N 1 0 372.429 2.168 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000067233314 541434819 /nfs/dbraw/zinc/43/48/19/541434819.db2.gz STRMDGZDADKROH-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000067265207 541436810 /nfs/dbraw/zinc/43/68/10/541436810.db2.gz YEMVTAFPRBUTTI-UHFFFAOYSA-N 1 0 350.375 2.353 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067398282 541457637 /nfs/dbraw/zinc/45/76/37/541457637.db2.gz RTLDUQBARJXQEQ-GXTWGEPZSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000068132291 541553707 /nfs/dbraw/zinc/55/37/07/541553707.db2.gz SQVGHGCRKXIUDV-MRXNPFEDSA-N 1 0 363.462 2.275 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068218033 541565137 /nfs/dbraw/zinc/56/51/37/541565137.db2.gz BDDOXQWXVAVBNO-INIZCTEOSA-N 1 0 356.426 2.296 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072716662 541856219 /nfs/dbraw/zinc/85/62/19/541856219.db2.gz HFBIVZHHVQTHAA-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO COc1ccc(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000551020845 674120636 /nfs/dbraw/zinc/12/06/36/674120636.db2.gz RIPBWJCRYPNVEL-UHFFFAOYSA-N 1 0 365.411 2.466 20 5 FEBDRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796546 541866214 /nfs/dbraw/zinc/86/62/14/541866214.db2.gz ZMASOWQBIFZISJ-GJZGRUSLSA-N 1 0 365.430 2.215 20 5 FEBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073052774 541913507 /nfs/dbraw/zinc/91/35/07/541913507.db2.gz CPAWLVHHQBSTOH-CQSZACIVSA-N 1 0 365.430 2.001 20 5 FEBDRO COC(=O)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000074321210 542069236 /nfs/dbraw/zinc/06/92/36/542069236.db2.gz NVYDTJQFFXATMY-UHFFFAOYSA-N 1 0 357.794 2.460 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076802256 542322642 /nfs/dbraw/zinc/32/26/42/542322642.db2.gz ZNZBFOBFUXONIF-HNNXBMFYSA-N 1 0 368.437 2.400 20 5 FEBDRO Cc1nn(C)c(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078307422 542453748 /nfs/dbraw/zinc/45/37/48/542453748.db2.gz LQRGGZQOTVCHJF-AWEZNQCLSA-N 1 0 358.446 2.259 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000049946309 221029067 /nfs/dbraw/zinc/02/90/67/221029067.db2.gz XSCHNMLWIFZSFA-UHFFFAOYSA-N 1 0 351.403 2.089 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CCCC1 ZINC000056529825 221080958 /nfs/dbraw/zinc/08/09/58/221080958.db2.gz LRCINZOZVNLTNG-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000079709689 542538287 /nfs/dbraw/zinc/53/82/87/542538287.db2.gz ILVQLWMDQJOWBY-WBVHZDCISA-N 1 0 371.441 2.351 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000089265927 542759342 /nfs/dbraw/zinc/75/93/42/542759342.db2.gz NKLXPOAOGOCTPC-ZDUSSCGKSA-N 1 0 358.398 2.217 20 5 FEBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000089681936 542769152 /nfs/dbraw/zinc/76/91/52/542769152.db2.gz CIBAGQLKNJUDSS-QZTJIDSGSA-N 1 0 370.409 2.352 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cnnc1C1CC1 ZINC000090032137 542781064 /nfs/dbraw/zinc/78/10/64/542781064.db2.gz TVOFVEQZQDZUOO-LBPRGKRZSA-N 1 0 358.402 2.071 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909995 542788924 /nfs/dbraw/zinc/78/89/24/542788924.db2.gz OYTYLQILUOWUSV-CYBMUJFWSA-N 1 0 363.439 2.396 20 5 FEBDRO CCc1nn(C)c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000091744176 542823210 /nfs/dbraw/zinc/82/32/10/542823210.db2.gz RSEWEDXZQUBDFA-LSDHHAIUSA-N 1 0 351.451 2.071 20 5 FEBDRO NC(=O)c1cc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000093260681 542921615 /nfs/dbraw/zinc/92/16/15/542921615.db2.gz IWZVTWBYENGPGU-UHFFFAOYSA-N 1 0 356.382 2.132 20 5 FEBDRO CC[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000098104385 543021520 /nfs/dbraw/zinc/02/15/20/543021520.db2.gz WGVVKROBAOBZET-MRXNPFEDSA-N 1 0 371.441 2.203 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285322 543101401 /nfs/dbraw/zinc/10/14/01/543101401.db2.gz SVVBULWKLPMHLG-VHSXEESVSA-N 1 0 373.356 2.291 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000106478838 543231483 /nfs/dbraw/zinc/23/14/83/543231483.db2.gz HLXAMIQVSAXPLA-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000106801616 543248492 /nfs/dbraw/zinc/24/84/92/543248492.db2.gz YFCOMZGCYAGQTO-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109108181 543314187 /nfs/dbraw/zinc/31/41/87/543314187.db2.gz FSWOEFQWGDEJEC-HNNXBMFYSA-N 1 0 363.462 2.411 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000111911551 543425245 /nfs/dbraw/zinc/42/52/45/543425245.db2.gz ZVKBWUZFQQYBIU-AWEZNQCLSA-N 1 0 370.409 2.170 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467543 543518349 /nfs/dbraw/zinc/51/83/49/543518349.db2.gz QHZIFJVIEYKWKT-PXNSSMCTSA-N 1 0 372.421 2.316 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114644932 543527556 /nfs/dbraw/zinc/52/75/56/543527556.db2.gz WGWHONQOYQLOEC-QGZVFWFLSA-N 1 0 371.441 2.271 20 5 FEBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000121405406 543694101 /nfs/dbraw/zinc/69/41/01/543694101.db2.gz LIHKKKPJGPSTMR-LLVKDONJSA-N 1 0 356.810 2.338 20 5 FEBDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120184921 543677168 /nfs/dbraw/zinc/67/71/68/543677168.db2.gz BVYLINOVQGGIAH-ZDUSSCGKSA-N 1 0 363.439 2.495 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000126423642 543935286 /nfs/dbraw/zinc/93/52/86/543935286.db2.gz NRNKLDDYCFRJFX-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO Cc1nn(C)c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000126504433 543940647 /nfs/dbraw/zinc/94/06/47/543940647.db2.gz ZQBQZYJNZOHISU-CHWSQXEVSA-N 1 0 351.451 2.125 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000128506635 544056557 /nfs/dbraw/zinc/05/65/57/544056557.db2.gz YKLCGZSHDDFEKK-UHFFFAOYSA-N 1 0 363.462 2.365 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1 ZINC000129097915 544090873 /nfs/dbraw/zinc/09/08/73/544090873.db2.gz ADOFRTRPRMTGHA-NJAFHUGGSA-N 1 0 360.414 2.305 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000131795921 544207230 /nfs/dbraw/zinc/20/72/30/544207230.db2.gz WEYJTVOTZWSRGR-WMLDXEAASA-N 1 0 371.441 2.127 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000131980895 544214217 /nfs/dbraw/zinc/21/42/17/544214217.db2.gz HBNTXRDBNNDSQK-HNNXBMFYSA-N 1 0 363.462 2.221 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000132556544 544235727 /nfs/dbraw/zinc/23/57/27/544235727.db2.gz ZHECGPHJDOAVIT-UHFFFAOYSA-N 1 0 351.451 2.464 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000133804271 544283773 /nfs/dbraw/zinc/28/37/73/544283773.db2.gz FWMZLVAFWMQJDC-HZPDHXFCSA-N 1 0 360.458 2.225 20 5 FEBDRO CC[C@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000135300720 544341095 /nfs/dbraw/zinc/34/10/95/544341095.db2.gz OYDYULKNYVKCRB-QWHCGFSZSA-N 1 0 372.491 2.281 20 5 FEBDRO Nc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000135615799 544356428 /nfs/dbraw/zinc/35/64/28/544356428.db2.gz DRKSZVSEVURCKF-UHFFFAOYSA-N 1 0 370.409 2.386 20 5 FEBDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000135630263 544357188 /nfs/dbraw/zinc/35/71/88/544357188.db2.gz ILGLJAPZRSWLHZ-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000138889473 544398471 /nfs/dbraw/zinc/39/84/71/544398471.db2.gz GEGZOZBRGIMEQO-RYUDHWBXSA-N 1 0 352.410 2.414 20 5 FEBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247516479 549348487 /nfs/dbraw/zinc/34/84/87/549348487.db2.gz ZMAWSPILFPVGSO-BARDWOONSA-N 1 0 361.446 2.264 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000150779585 544470912 /nfs/dbraw/zinc/47/09/12/544470912.db2.gz IFABXNWZYHFFMI-UKRRQHHQSA-N 1 0 363.414 2.236 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000247517144 549348462 /nfs/dbraw/zinc/34/84/62/549348462.db2.gz NAOCYMSDVUHLMT-IXDOHACOSA-N 1 0 366.462 2.212 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151648661 544566428 /nfs/dbraw/zinc/56/64/28/544566428.db2.gz VYAIIQFKHWGGMM-LBPRGKRZSA-N 1 0 373.862 2.355 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000153007542 544721914 /nfs/dbraw/zinc/72/19/14/544721914.db2.gz VNXWVFLTRSDQJI-OLZOCXBDSA-N 1 0 351.403 2.167 20 5 FEBDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153312917 544759258 /nfs/dbraw/zinc/75/92/58/544759258.db2.gz LBROGZTZNMRNQQ-UHFFFAOYSA-N 1 0 368.393 2.081 20 5 FEBDRO Cc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000154153669 544871522 /nfs/dbraw/zinc/87/15/22/544871522.db2.gz VQKWTIAOTDLCSE-SJPCQFCGSA-N 1 0 372.469 2.286 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000154383185 544898329 /nfs/dbraw/zinc/89/83/29/544898329.db2.gz CAOWUYMXMQWYTH-HNNXBMFYSA-N 1 0 362.430 2.175 20 5 FEBDRO Cc1cc(NC(=O)C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000154479733 544911384 /nfs/dbraw/zinc/91/13/84/544911384.db2.gz QBKXVXBSQRTHNN-MRXNPFEDSA-N 1 0 374.397 2.275 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192777 545000636 /nfs/dbraw/zinc/00/06/36/545000636.db2.gz UOYMCNAVWKVTSB-WFASDCNBSA-N 1 0 362.386 2.368 20 5 FEBDRO Cc1ccc(F)cc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180224770 327677143 /nfs/dbraw/zinc/67/71/43/327677143.db2.gz SLRVJWCJUIBMSB-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000181339685 327725879 /nfs/dbraw/zinc/72/58/79/327725879.db2.gz OXVHAQNJKKRMRX-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064061 327759330 /nfs/dbraw/zinc/75/93/30/327759330.db2.gz HDQPMJDLCMVUGR-LRDDRELGSA-N 1 0 362.430 2.336 20 5 FEBDRO C[C@H](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182234026 327766798 /nfs/dbraw/zinc/76/67/98/327766798.db2.gz AGZGJVLHOULGEF-CQSZACIVSA-N 1 0 363.414 2.167 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000182662465 327783900 /nfs/dbraw/zinc/78/39/00/327783900.db2.gz DABJMQUJRPIOTF-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182682494 327784666 /nfs/dbraw/zinc/78/46/66/327784666.db2.gz OEBQRUFARHXYRY-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000183556315 327824194 /nfs/dbraw/zinc/82/41/94/327824194.db2.gz RSHNIQSTRNJCDI-QGZVFWFLSA-N 1 0 367.471 2.027 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000183721560 327831950 /nfs/dbraw/zinc/83/19/50/327831950.db2.gz MKIOOOAVIBIWCP-GFCCVEGCSA-N 1 0 359.386 2.371 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000186769593 327981387 /nfs/dbraw/zinc/98/13/87/327981387.db2.gz IZSTVYXBFQVUQJ-OAHLLOKOSA-N 1 0 369.487 2.321 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000553893500 674292673 /nfs/dbraw/zinc/29/26/73/674292673.db2.gz TZKHBSUHJRJRPK-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000188226091 328074313 /nfs/dbraw/zinc/07/43/13/328074313.db2.gz LGUXMRGPGCAFQW-UHFFFAOYSA-N 1 0 362.430 2.093 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000188266761 328076848 /nfs/dbraw/zinc/07/68/48/328076848.db2.gz CGJKGOLOSSGIEG-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188433265 328086735 /nfs/dbraw/zinc/08/67/35/328086735.db2.gz ZZVIAWOBOXWMKH-UHFFFAOYSA-N 1 0 350.419 2.099 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1CC(C)(C)O ZINC000188617820 328098919 /nfs/dbraw/zinc/09/89/19/328098919.db2.gz YVHWURNSDZCBBU-ZDUSSCGKSA-N 1 0 372.425 2.060 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189399407 328145489 /nfs/dbraw/zinc/14/54/89/328145489.db2.gz ZGGNLMZNGFWUGG-MRXNPFEDSA-N 1 0 360.414 2.010 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000189819417 328169782 /nfs/dbraw/zinc/16/97/82/328169782.db2.gz QISHUSPNDFZWQV-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000190568267 328216807 /nfs/dbraw/zinc/21/68/07/328216807.db2.gz IZOMTDDXLXRSKO-UHFFFAOYSA-N 1 0 358.398 2.237 20 5 FEBDRO CCc1nnc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190708544 328226553 /nfs/dbraw/zinc/22/65/53/328226553.db2.gz AIKKSUOKZRGNDS-UHFFFAOYSA-N 1 0 372.429 2.484 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000191842747 328284373 /nfs/dbraw/zinc/28/43/73/328284373.db2.gz KHLAHZDDTLOVGH-DZGCQCFKSA-N 1 0 357.414 2.204 20 5 FEBDRO C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)[C@H](C)[NH3+] ZINC000191991421 328292205 /nfs/dbraw/zinc/29/22/05/328292205.db2.gz CJNBFTQRXNLUDD-MNOVXSKESA-N 1 0 374.363 2.246 20 5 FEBDRO CN1C(=O)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000192155070 328303534 /nfs/dbraw/zinc/30/35/34/328303534.db2.gz GSLIUDXVZLZIMB-ZBFHGGJFSA-N 1 0 363.805 2.006 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192334161 328313991 /nfs/dbraw/zinc/31/39/91/328313991.db2.gz GZMPCUMKMUMQFZ-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000192758070 328338151 /nfs/dbraw/zinc/33/81/51/328338151.db2.gz VFTUPZUOAIJLNU-INIZCTEOSA-N 1 0 359.430 2.298 20 5 FEBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000193000386 328351326 /nfs/dbraw/zinc/35/13/26/328351326.db2.gz GKELCVIQJJADBP-IRXDYDNUSA-N 1 0 355.398 2.101 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000193293337 328367230 /nfs/dbraw/zinc/36/72/30/328367230.db2.gz NPDQSWRXNRGWFH-GHMZBOCLSA-N 1 0 361.851 2.352 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193641433 328387215 /nfs/dbraw/zinc/38/72/15/328387215.db2.gz HCBUEFNXHNIWCS-SDDRHHMPSA-N 1 0 352.822 2.069 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000194245084 328416693 /nfs/dbraw/zinc/41/66/93/328416693.db2.gz GPPVLMDMCYYKOO-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000236872897 328496779 /nfs/dbraw/zinc/49/67/79/328496779.db2.gz ROVXSCZDFIDDRP-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000237348514 328513427 /nfs/dbraw/zinc/51/34/27/328513427.db2.gz NDDGAJJSQYWZHT-UHFFFAOYSA-N 1 0 373.356 2.276 20 5 FEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237504028 328518148 /nfs/dbraw/zinc/51/81/48/328518148.db2.gz SLPPSMIHFLSCCS-APPZFPTMSA-N 1 0 368.242 2.402 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081569683 325184358 /nfs/dbraw/zinc/18/43/58/325184358.db2.gz CDUHAXAXZSRNRQ-HNNXBMFYSA-N 1 0 360.458 2.148 20 5 FEBDRO CC[NH+](CC)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000086962122 325268530 /nfs/dbraw/zinc/26/85/30/325268530.db2.gz SEJFTAPKEXRFKG-UHFFFAOYSA-N 1 0 358.236 2.358 20 5 FEBDRO CCc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015417 325351464 /nfs/dbraw/zinc/35/14/64/325351464.db2.gz JKKOOPYJDYKZOR-LBPRGKRZSA-N 1 0 367.427 2.379 20 5 FEBDRO CCC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796195 325368028 /nfs/dbraw/zinc/36/80/28/325368028.db2.gz WHSGQMKZEFQUPS-CJNGLKHVSA-N 1 0 355.460 2.307 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094134425 325453773 /nfs/dbraw/zinc/45/37/73/325453773.db2.gz BRRGKLUHOINCCR-HNNXBMFYSA-N 1 0 362.474 2.276 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198215 325877647 /nfs/dbraw/zinc/87/76/47/325877647.db2.gz NEGXEEHPPPKMLY-NWDGAFQWSA-N 1 0 354.838 2.459 20 5 FEBDRO Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000118787512 326102605 /nfs/dbraw/zinc/10/26/05/326102605.db2.gz CTIXKMOUJZXAPN-OAHLLOKOSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1sc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000118946894 326111526 /nfs/dbraw/zinc/11/15/26/326111526.db2.gz UTPHVNKEKCRDHP-UHFFFAOYSA-N 1 0 361.489 2.365 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119031915 326120011 /nfs/dbraw/zinc/12/00/11/326120011.db2.gz DHBBFMCFCDHBNR-HNNXBMFYSA-N 1 0 372.429 2.236 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000119785262 326197978 /nfs/dbraw/zinc/19/79/78/326197978.db2.gz FKBZKQZKFSUGDD-LBPRGKRZSA-N 1 0 355.822 2.317 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000119960906 326216174 /nfs/dbraw/zinc/21/61/74/326216174.db2.gz BFBOLRFQDHPRAR-CQSZACIVSA-N 1 0 362.430 2.175 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121490887 326342496 /nfs/dbraw/zinc/34/24/96/326342496.db2.gz NBIYJBZDGFPCKL-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000121610560 326351925 /nfs/dbraw/zinc/35/19/25/326351925.db2.gz PKONERWFIYQWLE-DGCLKSJQSA-N 1 0 371.484 2.294 20 5 FEBDRO CCC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121974890 326379187 /nfs/dbraw/zinc/37/91/87/326379187.db2.gz PFINSQCGGXGBSM-ROUUACIJSA-N 1 0 351.447 2.061 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000122352265 326393607 /nfs/dbraw/zinc/39/36/07/326393607.db2.gz JHTBPTUYQPPIEZ-FZMZJTMJSA-N 1 0 373.862 2.353 20 5 FEBDRO CCC1(CO)CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000128006340 326516356 /nfs/dbraw/zinc/51/63/56/326516356.db2.gz GHKHXTVILAAXAG-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128525792 326525325 /nfs/dbraw/zinc/52/53/25/326525325.db2.gz MCOZWWFNSLEMQC-RYUDHWBXSA-N 1 0 351.451 2.123 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000130224413 326553274 /nfs/dbraw/zinc/55/32/74/326553274.db2.gz WHWKYBRDZNZSBL-CYBMUJFWSA-N 1 0 355.460 2.225 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000159042296 326917085 /nfs/dbraw/zinc/91/70/85/326917085.db2.gz SRZCPTGXRZDKRA-AWEZNQCLSA-N 1 0 356.382 2.090 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000162960648 327039020 /nfs/dbraw/zinc/03/90/20/327039020.db2.gz DPSRRJXIFTYDFC-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000164721819 327073844 /nfs/dbraw/zinc/07/38/44/327073844.db2.gz RYXDVMVTWKIRAL-QGZVFWFLSA-N 1 0 373.409 2.077 20 5 FEBDRO COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000170628033 327089472 /nfs/dbraw/zinc/08/94/72/327089472.db2.gz OZAMJKOBHYGPOU-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171370925 327135383 /nfs/dbraw/zinc/13/53/83/327135383.db2.gz YKPZXTVYBJPASX-UHFFFAOYSA-N 1 0 357.414 2.059 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000171628776 327149771 /nfs/dbraw/zinc/14/97/71/327149771.db2.gz HALSSULCGMVGPA-SNVBAGLBSA-N 1 0 361.851 2.305 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000172786314 327218921 /nfs/dbraw/zinc/21/89/21/327218921.db2.gz GQOHIUIDLKHMNE-CYBMUJFWSA-N 1 0 350.419 2.335 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000173049999 327232429 /nfs/dbraw/zinc/23/24/29/327232429.db2.gz OENXWMIWUBOHHQ-GFCCVEGCSA-N 1 0 365.430 2.478 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000173256095 327244339 /nfs/dbraw/zinc/24/43/39/327244339.db2.gz AZRWXCJAUOXMSN-HIFRSBDPSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000173273486 327245741 /nfs/dbraw/zinc/24/57/41/327245741.db2.gz BBYXBYIHDGRJLQ-GHMZBOCLSA-N 1 0 361.851 2.351 20 5 FEBDRO CC[C@H](O)C[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000173457508 327258692 /nfs/dbraw/zinc/25/86/92/327258692.db2.gz IXENDVPWOYGOMT-KRWDZBQOSA-N 1 0 374.441 2.181 20 5 FEBDRO Cc1nn(C)c2ncc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc12 ZINC000173465034 327259118 /nfs/dbraw/zinc/25/91/18/327259118.db2.gz YJYRRIQBKGQSCR-AWEZNQCLSA-N 1 0 367.413 2.266 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173631638 327272575 /nfs/dbraw/zinc/27/25/75/327272575.db2.gz ZAWHIKQMMLVAIB-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173830874 327287367 /nfs/dbraw/zinc/28/73/67/327287367.db2.gz BVRABYTUQSHBEA-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173865655 327289949 /nfs/dbraw/zinc/28/99/49/327289949.db2.gz DZVWFSIMLZPGIG-OAHLLOKOSA-N 1 0 367.471 2.446 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174156521 327309480 /nfs/dbraw/zinc/30/94/80/327309480.db2.gz BMEVGFSINJHDEQ-STQMWFEESA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000174371309 327323137 /nfs/dbraw/zinc/32/31/37/327323137.db2.gz YNZBERBWVHWKFC-UHFFFAOYSA-N 1 0 370.413 2.405 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@@H+]1C[C@@H](C)O ZINC000175280256 327384346 /nfs/dbraw/zinc/38/43/46/327384346.db2.gz IBWGYLOABXOEAL-ZIAGYGMSSA-N 1 0 350.419 2.212 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000175291670 327384849 /nfs/dbraw/zinc/38/48/49/327384849.db2.gz BFZWLTWUIWGAIG-HNNXBMFYSA-N 1 0 350.419 2.229 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000177856809 327549203 /nfs/dbraw/zinc/54/92/03/327549203.db2.gz OMHLIGLQPFOTGD-CYBMUJFWSA-N 1 0 355.460 2.368 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000178621318 327596280 /nfs/dbraw/zinc/59/62/80/327596280.db2.gz OBGFXGUHBYXCRF-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648955 327598145 /nfs/dbraw/zinc/59/81/45/327598145.db2.gz LNXPWDFXUVZLDP-PBHICJAKSA-N 1 0 351.472 2.453 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000261825278 328822456 /nfs/dbraw/zinc/82/24/56/328822456.db2.gz XBFQBQGZXUBPKV-WDEREUQCSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1csc(Sc2ccc(C(=O)NCC3C[NH2+]C3)cc2[N+](=O)[O-])n1 ZINC000262059772 328838839 /nfs/dbraw/zinc/83/88/39/328838839.db2.gz YQKIUYHUDFIRON-UHFFFAOYSA-N 1 0 364.452 2.460 20 5 FEBDRO CN(CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000262390850 328863048 /nfs/dbraw/zinc/86/30/48/328863048.db2.gz OETZTYPNEAMYGT-INIZCTEOSA-N 1 0 354.410 2.034 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000263809689 328964531 /nfs/dbraw/zinc/96/45/31/328964531.db2.gz WKNSZHQNVXLZRA-UHFFFAOYSA-N 1 0 366.418 2.226 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000263841010 328967587 /nfs/dbraw/zinc/96/75/87/328967587.db2.gz WXXISAPVACTBNB-HNNXBMFYSA-N 1 0 361.402 2.036 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000264428948 329021977 /nfs/dbraw/zinc/02/19/77/329021977.db2.gz TZOZTRWBKJHKFH-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000264627896 329042357 /nfs/dbraw/zinc/04/23/57/329042357.db2.gz XPVSJBYYDONXIE-LBPRGKRZSA-N 1 0 351.432 2.365 20 5 FEBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716659 329052265 /nfs/dbraw/zinc/05/22/65/329052265.db2.gz HEDMNHWCLDSYCV-MRXNPFEDSA-N 1 0 356.430 2.018 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000264903772 329073002 /nfs/dbraw/zinc/07/30/02/329073002.db2.gz MAFRXJUPEOSJLF-UHFFFAOYSA-N 1 0 363.414 2.170 20 5 FEBDRO CCOC(=O)c1ccnc(NC2CC[NH+](CCCOC)CC2)c1[N+](=O)[O-] ZINC000265555672 329138542 /nfs/dbraw/zinc/13/85/42/329138542.db2.gz IENRPNMCHWPELS-UHFFFAOYSA-N 1 0 366.418 2.079 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000266120913 329192030 /nfs/dbraw/zinc/19/20/30/329192030.db2.gz YQDJLZLNJFIBOA-UHFFFAOYSA-N 1 0 351.403 2.215 20 5 FEBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C)CC1 ZINC000266192708 329199061 /nfs/dbraw/zinc/19/90/61/329199061.db2.gz CBIISPHMWCOCTQ-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000266276378 329207257 /nfs/dbraw/zinc/20/72/57/329207257.db2.gz SEXBRFCHXFFCNM-AWEZNQCLSA-N 1 0 367.471 2.311 20 5 FEBDRO CCCNC(=O)C1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266561530 329236400 /nfs/dbraw/zinc/23/64/00/329236400.db2.gz XRPUVHXZLVBCHF-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO CNC(=O)c1ccc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000266563042 329236453 /nfs/dbraw/zinc/23/64/53/329236453.db2.gz YGEWXFYWNKIIGW-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266818013 329262573 /nfs/dbraw/zinc/26/25/73/329262573.db2.gz XIABUWWWCQTWIJ-GXTWGEPZSA-N 1 0 350.419 2.228 20 5 FEBDRO C[NH+](C)CCCOC1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000267252684 329307256 /nfs/dbraw/zinc/30/72/56/329307256.db2.gz ZUOXMTCTHSLUGJ-UHFFFAOYSA-N 1 0 353.448 2.241 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000267342299 329316821 /nfs/dbraw/zinc/31/68/21/329316821.db2.gz ZZILGXOSVVFBOI-OLZOCXBDSA-N 1 0 351.403 2.215 20 5 FEBDRO Cn1cc(C[NH2+]CC2(C(N)=O)CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000267961512 329371850 /nfs/dbraw/zinc/37/18/50/329371850.db2.gz XCBUYHYVOMQAKW-UHFFFAOYSA-N 1 0 357.414 2.131 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269174399 329493505 /nfs/dbraw/zinc/49/35/05/329493505.db2.gz GOUDNHAOTYNTDJ-QMMMGPOBSA-N 1 0 360.183 2.226 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000271760355 329722415 /nfs/dbraw/zinc/72/24/15/329722415.db2.gz HOJSYERXHWDMJA-IEBWSBKVSA-N 1 0 360.410 2.438 20 5 FEBDRO CCOC(=O)CCCNC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271806098 329726957 /nfs/dbraw/zinc/72/69/57/329726957.db2.gz QIFAFLCZCYPMAH-HNNXBMFYSA-N 1 0 351.403 2.095 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000272346718 329772361 /nfs/dbraw/zinc/77/23/61/329772361.db2.gz XQKAJVSBTYSVSE-RKDXNWHRSA-N 1 0 359.329 2.014 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000273492072 329869046 /nfs/dbraw/zinc/86/90/46/329869046.db2.gz SQWMNRWQSPRFPS-CYBMUJFWSA-N 1 0 364.446 2.475 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000273521135 329871449 /nfs/dbraw/zinc/87/14/49/329871449.db2.gz YOYFUTIZFQKKHX-UHFFFAOYSA-N 1 0 366.393 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000273660078 329882533 /nfs/dbraw/zinc/88/25/33/329882533.db2.gz HWKPDNBSFAFTTH-GXTWGEPZSA-N 1 0 354.432 2.113 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000274083381 329914767 /nfs/dbraw/zinc/91/47/67/329914767.db2.gz SQLYRQDNQDJGBD-UHFFFAOYSA-N 1 0 374.445 2.370 20 5 FEBDRO CS[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1[NH+](C)C ZINC000275662755 330075658 /nfs/dbraw/zinc/07/56/58/330075658.db2.gz WBOGKNWGEXTDQP-LSDHHAIUSA-N 1 0 370.450 2.040 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000275784140 330088454 /nfs/dbraw/zinc/08/84/54/330088454.db2.gz ILFTXKGTEWABPA-LLVKDONJSA-N 1 0 354.382 2.043 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443513 330152332 /nfs/dbraw/zinc/15/23/32/330152332.db2.gz JAEVYVRTHWZUNR-ZYHUDNBSSA-N 1 0 360.357 2.498 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443495 330152376 /nfs/dbraw/zinc/15/23/76/330152376.db2.gz JAEVYVRTHWZUNR-JQWIXIFHSA-N 1 0 360.357 2.498 20 5 FEBDRO COC(=O)c1cnc(NCc2ccccc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276630982 330172013 /nfs/dbraw/zinc/17/20/13/330172013.db2.gz WANMGDKZBZSPGS-UHFFFAOYSA-N 1 0 374.397 2.329 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084938 330174045 /nfs/dbraw/zinc/17/40/45/330174045.db2.gz MZBZAFNRAHZZEG-SJORKVTESA-N 1 0 360.458 2.247 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369327427 330239815 /nfs/dbraw/zinc/23/98/15/330239815.db2.gz RTZGLAGAUATRRI-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000411391241 330257345 /nfs/dbraw/zinc/25/73/45/330257345.db2.gz REZKUTNWJZUJSJ-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426247451 330271726 /nfs/dbraw/zinc/27/17/26/330271726.db2.gz CKRXPCLXQYQLRD-HUUCEWRRSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@H]1COCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158574 330274011 /nfs/dbraw/zinc/27/40/11/330274011.db2.gz KAONZHUYWIONEC-CABZTGNLSA-N 1 0 372.219 2.310 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000440851371 330277236 /nfs/dbraw/zinc/27/72/36/330277236.db2.gz VAZWPKAVVIVGRV-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CSC1(CNC(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000555147702 674349815 /nfs/dbraw/zinc/34/98/15/674349815.db2.gz QNZVJFITNKSPSW-UHFFFAOYSA-N 1 0 366.487 2.264 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555230340 674352737 /nfs/dbraw/zinc/35/27/37/674352737.db2.gz YWJOZSOHFGNXFS-GFCCVEGCSA-N 1 0 351.794 2.014 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160141826 546011326 /nfs/dbraw/zinc/01/13/26/546011326.db2.gz PSRPKIAOWBSAOF-INIZCTEOSA-N 1 0 367.471 2.375 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000160147899 546011629 /nfs/dbraw/zinc/01/16/29/546011629.db2.gz YLSGLANAAMCDIZ-UHFFFAOYSA-N 1 0 355.460 2.327 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160615465 546057109 /nfs/dbraw/zinc/05/71/09/546057109.db2.gz CYGGGCLSLLOQEL-BETUJISGSA-N 1 0 353.806 2.370 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161306340 546117956 /nfs/dbraw/zinc/11/79/56/546117956.db2.gz YVXCYSWRDQQNNJ-CQSZACIVSA-N 1 0 355.398 2.139 20 5 FEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000161394059 546127086 /nfs/dbraw/zinc/12/70/86/546127086.db2.gz ANNPGOIDQHCMPR-AWEZNQCLSA-N 1 0 355.398 2.139 20 5 FEBDRO Cc1c(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000479687494 561195012 /nfs/dbraw/zinc/19/50/12/561195012.db2.gz FTYJDEBOGARQJL-MRXNPFEDSA-N 1 0 352.460 2.140 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000175652676 546327831 /nfs/dbraw/zinc/32/78/31/546327831.db2.gz KSORSYVOJRALDI-UHFFFAOYSA-N 1 0 365.459 2.142 20 5 FEBDRO CCC(=O)c1ccc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000479965304 561200361 /nfs/dbraw/zinc/20/03/61/561200361.db2.gz PSFSWTZZXBKJCR-AWEZNQCLSA-N 1 0 362.430 2.187 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176288110 546427747 /nfs/dbraw/zinc/42/77/47/546427747.db2.gz ZBTPHQSQRUFHGA-INIZCTEOSA-N 1 0 357.414 2.076 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C[NH+](C)C)ccn1 ZINC000176421468 546443845 /nfs/dbraw/zinc/44/38/45/546443845.db2.gz IRZCCVDCMHQGSZ-UHFFFAOYSA-N 1 0 350.400 2.161 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176490935 546453471 /nfs/dbraw/zinc/45/34/71/546453471.db2.gz JUVHTEDSAIUOJR-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480754936 561216036 /nfs/dbraw/zinc/21/60/36/561216036.db2.gz LNVMDLUURSLACE-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CS(=O)(=O)c1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000480833356 561217704 /nfs/dbraw/zinc/21/77/04/561217704.db2.gz YJIASXCOMICUSU-UHFFFAOYSA-N 1 0 353.444 2.427 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989260 561222355 /nfs/dbraw/zinc/22/23/55/561222355.db2.gz XZQURMSXDXAYND-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000177646962 546659248 /nfs/dbraw/zinc/65/92/48/546659248.db2.gz AFENWSLOGJVBPT-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179473768 546960636 /nfs/dbraw/zinc/96/06/36/546960636.db2.gz PPFGVSPBNZFANO-IRXDYDNUSA-N 1 0 368.393 2.095 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179554411 546977206 /nfs/dbraw/zinc/97/72/06/546977206.db2.gz TUQBKJWJDOYDTK-AWEZNQCLSA-N 1 0 372.425 2.230 20 5 FEBDRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180419480 547105142 /nfs/dbraw/zinc/10/51/42/547105142.db2.gz YUOHJNHPNNZJHJ-CYBMUJFWSA-N 1 0 363.414 2.047 20 5 FEBDRO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000180747062 547172001 /nfs/dbraw/zinc/17/20/01/547172001.db2.gz NNPRTYIBWMWODO-HDICACEKSA-N 1 0 365.389 2.212 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000180830841 547187393 /nfs/dbraw/zinc/18/73/93/547187393.db2.gz MQUKCDAEPDZMBC-CQSZACIVSA-N 1 0 363.439 2.394 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866245 547197236 /nfs/dbraw/zinc/19/72/36/547197236.db2.gz REOXSDDYRZLNPN-YOEHRIQHSA-N 1 0 357.414 2.434 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000181162747 547261762 /nfs/dbraw/zinc/26/17/62/547261762.db2.gz OPNMNGZPTVJOQF-IGCXYCKISA-N 1 0 360.414 2.029 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181449294 547316257 /nfs/dbraw/zinc/31/62/57/547316257.db2.gz RGUWDMQMAFEZFM-DCGLDWPTSA-N 1 0 365.430 2.413 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000181641230 547350662 /nfs/dbraw/zinc/35/06/62/547350662.db2.gz AOMHKWQGQWNCPD-BXUZGUMPSA-N 1 0 370.452 2.142 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCCN1CCOCC1 ZINC000181680523 547359023 /nfs/dbraw/zinc/35/90/23/547359023.db2.gz CRWFQPCOFRQARB-UHFFFAOYSA-N 1 0 373.862 2.179 20 5 FEBDRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831327 547388419 /nfs/dbraw/zinc/38/84/19/547388419.db2.gz KFWIHAQSYGSLTH-ZFWWWQNUSA-N 1 0 365.430 2.258 20 5 FEBDRO NC(=O)C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067208 547431294 /nfs/dbraw/zinc/43/12/94/547431294.db2.gz MKTFVEQIGCRSAX-SJORKVTESA-N 1 0 374.441 2.114 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155265 547445281 /nfs/dbraw/zinc/44/52/81/547445281.db2.gz QPAGBKPFGVXSCH-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H]1c1ccccc1 ZINC000182777555 547550776 /nfs/dbraw/zinc/55/07/76/547550776.db2.gz DKYZIZZLUDFQBN-PBHICJAKSA-N 1 0 369.377 2.499 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183289513 547633890 /nfs/dbraw/zinc/63/38/90/547633890.db2.gz USQHEVBPRQJJCL-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000183293445 547634160 /nfs/dbraw/zinc/63/41/60/547634160.db2.gz UNXWPJLPYZPUAI-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183297715 547635293 /nfs/dbraw/zinc/63/52/93/547635293.db2.gz MLBANIGJHSKUAK-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000183360103 547644332 /nfs/dbraw/zinc/64/43/32/547644332.db2.gz DONLGDDWZREBMY-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])s1 ZINC000183461435 547665455 /nfs/dbraw/zinc/66/54/55/547665455.db2.gz YIRRJRCUGNIPET-AWEZNQCLSA-N 1 0 361.423 2.153 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183782891 547718276 /nfs/dbraw/zinc/71/82/76/547718276.db2.gz BSCGCSUBJNHFMB-LJQANCHMSA-N 1 0 369.421 2.020 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000184654449 547860951 /nfs/dbraw/zinc/86/09/51/547860951.db2.gz ZJCYUMVGXKCUKS-UHFFFAOYSA-N 1 0 370.837 2.158 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000185068106 547926940 /nfs/dbraw/zinc/92/69/40/547926940.db2.gz WQWWMCMLZDMRDH-ZDUSSCGKSA-N 1 0 363.370 2.238 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000185538977 547999379 /nfs/dbraw/zinc/99/93/79/547999379.db2.gz YQTQXOBMYWOCNN-DHSIGJKJSA-N 1 0 358.394 2.489 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185599828 548007150 /nfs/dbraw/zinc/00/71/50/548007150.db2.gz VCSSGSADSCAMPF-GFCCVEGCSA-N 1 0 366.443 2.152 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCC1 ZINC000185870051 548047915 /nfs/dbraw/zinc/04/79/15/548047915.db2.gz DWNWKRZIKAUZQB-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(CO)CC1 ZINC000186893460 548214138 /nfs/dbraw/zinc/21/41/38/548214138.db2.gz NYBATGRRPOWGAT-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000193210212 548383313 /nfs/dbraw/zinc/38/33/13/548383313.db2.gz KXRBHECZIWPGCW-OAHLLOKOSA-N 1 0 355.460 2.384 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000193948013 548412393 /nfs/dbraw/zinc/41/23/93/548412393.db2.gz HMMDPCAURPWWCH-CYBMUJFWSA-N 1 0 350.419 2.277 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195509542 548653546 /nfs/dbraw/zinc/65/35/46/548653546.db2.gz JFISKEYRSJOFHB-UHFFFAOYSA-N 1 0 360.414 2.042 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000237311594 548817500 /nfs/dbraw/zinc/81/75/00/548817500.db2.gz AJCHNXHFPQRARD-LLVKDONJSA-N 1 0 353.444 2.397 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]CCN3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000237426795 548824805 /nfs/dbraw/zinc/82/48/05/548824805.db2.gz CAOGBJSPTZVUNT-UHFFFAOYSA-N 1 0 361.398 2.285 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237620647 548839568 /nfs/dbraw/zinc/83/95/68/548839568.db2.gz ORYAQVVTBFZOQQ-YVEFUNNKSA-N 1 0 371.441 2.408 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237899639 548862686 /nfs/dbraw/zinc/86/26/86/548862686.db2.gz PSWPQOWECFUXQA-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000245463354 548927387 /nfs/dbraw/zinc/92/73/87/548927387.db2.gz XHYKZBKIEZJUFS-DZGCQCFKSA-N 1 0 371.397 2.173 20 5 FEBDRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245467439 548928806 /nfs/dbraw/zinc/92/88/06/548928806.db2.gz ZMASOWQBIFZISJ-LSDHHAIUSA-N 1 0 365.430 2.215 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000245805831 548997752 /nfs/dbraw/zinc/99/77/52/548997752.db2.gz PZVULDHPCQJSKA-KBXCAEBGSA-N 1 0 359.426 2.449 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000245992268 549032795 /nfs/dbraw/zinc/03/27/95/549032795.db2.gz QWPIXGVQNSCUTR-BBRMVZONSA-N 1 0 362.430 2.229 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246206406 549078355 /nfs/dbraw/zinc/07/83/55/549078355.db2.gz PAKPJOBDPZFBIK-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000247042617 549271422 /nfs/dbraw/zinc/27/14/22/549271422.db2.gz MUSIXMJEYFMABT-GOEBONIOSA-N 1 0 367.471 2.316 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000247098415 549282448 /nfs/dbraw/zinc/28/24/48/549282448.db2.gz QFRJOFGYRUVFQJ-GXTWGEPZSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247324569 549318817 /nfs/dbraw/zinc/31/88/17/549318817.db2.gz IIAVQJLWRMOHTP-ZWNOBZJWSA-N 1 0 350.375 2.224 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247687153 549371275 /nfs/dbraw/zinc/37/12/75/549371275.db2.gz SGAHHYFCFUHKHK-UWWQBHOKSA-N 1 0 360.414 2.114 20 5 FEBDRO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000247690138 549372621 /nfs/dbraw/zinc/37/26/21/549372621.db2.gz VUKUAHHSVFQTHP-YSVLISHTSA-N 1 0 360.414 2.039 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000248053653 549403506 /nfs/dbraw/zinc/40/35/06/549403506.db2.gz OCIJFRWXAPFRQR-RDJZCZTQSA-N 1 0 367.471 2.026 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCO[C@@H]1C ZINC000489442786 561411549 /nfs/dbraw/zinc/41/15/49/561411549.db2.gz WOTWPFQGDSRCBA-PBHICJAKSA-N 1 0 365.430 2.358 20 5 FEBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000489508979 561413105 /nfs/dbraw/zinc/41/31/05/561413105.db2.gz KMNQJXNAQOGCBV-DZGCQCFKSA-N 1 0 354.403 2.108 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248975578 549534257 /nfs/dbraw/zinc/53/42/57/549534257.db2.gz DLDLHUNEDZDKHZ-ZFWWWQNUSA-N 1 0 363.414 2.363 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249149441 549561686 /nfs/dbraw/zinc/56/16/86/549561686.db2.gz XJPVCBQBWBJAOX-GXTWGEPZSA-N 1 0 363.414 2.363 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000250110072 549637686 /nfs/dbraw/zinc/63/76/86/549637686.db2.gz KALDQPUGGRSXPR-UONOGXRCSA-N 1 0 365.430 2.219 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544376 549673911 /nfs/dbraw/zinc/67/39/11/549673911.db2.gz IDGHCBXMQDHTHW-WDEREUQCSA-N 1 0 357.208 2.027 20 5 FEBDRO CCCCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000489963683 561423485 /nfs/dbraw/zinc/42/34/85/561423485.db2.gz FSCOHEQSQLAFKZ-CQSZACIVSA-N 1 0 356.444 2.393 20 5 FEBDRO O=C(C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000255723554 549709156 /nfs/dbraw/zinc/70/91/56/549709156.db2.gz HKPPQVVAXXQKAQ-HYXAFXHYSA-N 1 0 359.426 2.179 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262302655 549808720 /nfs/dbraw/zinc/80/87/20/549808720.db2.gz BRQIOYLYNCIMLB-INIZCTEOSA-N 1 0 355.394 2.367 20 5 FEBDRO Cc1nn(CCC(=O)N(CCC[NH3+])Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000262489957 549823970 /nfs/dbraw/zinc/82/39/70/549823970.db2.gz UOCFMKTYMFBQDF-UHFFFAOYSA-N 1 0 359.430 2.176 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000491137050 561443326 /nfs/dbraw/zinc/44/33/26/561443326.db2.gz NEDLZAMVUBTPRW-OAHLLOKOSA-N 1 0 356.426 2.334 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268293212 550045826 /nfs/dbraw/zinc/04/58/26/550045826.db2.gz ZTRUCXMKVBRAJH-BXUZGUMPSA-N 1 0 363.414 2.215 20 5 FEBDRO CCC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268593775 550091015 /nfs/dbraw/zinc/09/10/15/550091015.db2.gz VAQJFSIEKKZESJ-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000269124729 550158141 /nfs/dbraw/zinc/15/81/41/550158141.db2.gz WQDOUARFIWYPJZ-OCCSQVGLSA-N 1 0 363.414 2.168 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269164575 550163190 /nfs/dbraw/zinc/16/31/90/550163190.db2.gz CORVKOJZKHHZQW-NXEZZACHSA-N 1 0 373.356 2.323 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269321930 550180891 /nfs/dbraw/zinc/18/08/91/550180891.db2.gz LWSHNZYHYZTWTA-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000493311707 561455457 /nfs/dbraw/zinc/45/54/57/561455457.db2.gz VCMLYHUGVUFZPJ-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707303 561457737 /nfs/dbraw/zinc/45/77/37/561457737.db2.gz NERQXIOQJPQNTI-DOTOQJQBSA-N 1 0 351.403 2.073 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270790129 550307017 /nfs/dbraw/zinc/30/70/17/550307017.db2.gz LTTPFIPJIDAFJT-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO Cn1cc(C[NH+]2CCC3(CNC(=O)C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271167261 550347952 /nfs/dbraw/zinc/34/79/52/550347952.db2.gz GMEKGXCIKQTTMH-UHFFFAOYSA-N 1 0 369.425 2.097 20 5 FEBDRO Cn1cc(C[N@H+](C)CCc2cnccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272880084 550474795 /nfs/dbraw/zinc/47/47/95/550474795.db2.gz XQTIIVIFHFXDIR-UHFFFAOYSA-N 1 0 352.398 2.460 20 5 FEBDRO Cc1ccnc(OC2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000272945950 550477682 /nfs/dbraw/zinc/47/76/82/550477682.db2.gz LSXRTTVXAUFGPH-UHFFFAOYSA-N 1 0 370.409 2.441 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)C[S@@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000273218143 550490139 /nfs/dbraw/zinc/49/01/39/550490139.db2.gz UYVKKRIFOLSKBD-UZKFNYRNSA-N 1 0 366.386 2.104 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274843104 550558737 /nfs/dbraw/zinc/55/87/37/550558737.db2.gz DHRMNVTXERFSOR-GOSISDBHSA-N 1 0 374.393 2.312 20 5 FEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276860988 550604192 /nfs/dbraw/zinc/60/41/92/550604192.db2.gz MNHFGHKSNRHPEP-UHFFFAOYSA-N 1 0 350.375 2.355 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000494845138 561477698 /nfs/dbraw/zinc/47/76/98/561477698.db2.gz LRYGYRCRESFUGP-UHFFFAOYSA-N 1 0 364.490 2.476 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277552136 550683631 /nfs/dbraw/zinc/68/36/31/550683631.db2.gz MPFYDQWJNKLVAM-OAHLLOKOSA-N 1 0 364.446 2.014 20 5 FEBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCC(C)CC1 ZINC000277670212 550699263 /nfs/dbraw/zinc/69/92/63/550699263.db2.gz HKTIILPEKGDFFA-ZDUSSCGKSA-N 1 0 374.445 2.391 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000277738176 550708273 /nfs/dbraw/zinc/70/82/73/550708273.db2.gz OUGKBBAJZHLLBO-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044300 550742441 /nfs/dbraw/zinc/74/24/41/550742441.db2.gz CHGFCDDBBXSDGU-CZUORRHYSA-N 1 0 370.409 2.336 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278243537 550764716 /nfs/dbraw/zinc/76/47/16/550764716.db2.gz WNCVLXWCBAYBIE-UHFFFAOYSA-N 1 0 365.459 2.162 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278570909 550800206 /nfs/dbraw/zinc/80/02/06/550800206.db2.gz CAKHQGHSGBUWGE-UHFFFAOYSA-N 1 0 360.418 2.002 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278760176 550819126 /nfs/dbraw/zinc/81/91/26/550819126.db2.gz KPUIFOHICUUSKZ-VBNZEHGJSA-N 1 0 351.403 2.096 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000279217653 550866060 /nfs/dbraw/zinc/86/60/60/550866060.db2.gz NDUQYXKUQAWRBS-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000280482952 550998917 /nfs/dbraw/zinc/99/89/17/550998917.db2.gz PSUDLLJIAYHWAL-UHFFFAOYSA-N 1 0 365.386 2.007 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000281257329 551078505 /nfs/dbraw/zinc/07/85/05/551078505.db2.gz VFGCZWTXBNPRSZ-SFHVURJKSA-N 1 0 358.398 2.250 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281511751 551106899 /nfs/dbraw/zinc/10/68/99/551106899.db2.gz ABMPNNKFTVBXMR-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@@H+]1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1(C)C ZINC000281722253 551135069 /nfs/dbraw/zinc/13/50/69/551135069.db2.gz VMQLRJILHLFGMP-UHFFFAOYSA-N 1 0 361.368 2.447 20 5 FEBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000282007890 551168513 /nfs/dbraw/zinc/16/85/13/551168513.db2.gz DHGCOXUYGCWLJU-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000282524207 551242035 /nfs/dbraw/zinc/24/20/35/551242035.db2.gz PTBHQWWCIVLQRT-UHFFFAOYSA-N 1 0 359.220 2.331 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000282605247 551251082 /nfs/dbraw/zinc/25/10/82/551251082.db2.gz BQLOEFCSHYWDQW-MRXNPFEDSA-N 1 0 371.441 2.208 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649086 561505480 /nfs/dbraw/zinc/50/54/80/561505480.db2.gz JECBAAFCVNCNOU-CABCVRRESA-N 1 0 365.455 2.036 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000283121502 551314851 /nfs/dbraw/zinc/31/48/51/551314851.db2.gz MZMNBDAOLOCVIV-NEPJUHHUSA-N 1 0 367.402 2.109 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498224672 561519361 /nfs/dbraw/zinc/51/93/61/561519361.db2.gz AKIYHOQILVEEDQ-STQMWFEESA-N 1 0 350.419 2.228 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000284448574 551551301 /nfs/dbraw/zinc/55/13/01/551551301.db2.gz QTTFJNNGLBEKDY-CABCVRRESA-N 1 0 353.444 2.111 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000498582586 561529449 /nfs/dbraw/zinc/52/94/49/561529449.db2.gz DHONXYPGMOSHMI-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000498703607 561532167 /nfs/dbraw/zinc/53/21/67/561532167.db2.gz CCFOYCPJHWMGOQ-SNVBAGLBSA-N 1 0 373.356 2.371 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285327164 551738793 /nfs/dbraw/zinc/73/87/93/551738793.db2.gz NMWVKVBLNJXPIM-DGCLKSJQSA-N 1 0 371.434 2.290 20 5 FEBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508404 551767472 /nfs/dbraw/zinc/76/74/72/551767472.db2.gz NUOBKRLAFGDXCM-HOTGVXAUSA-N 1 0 351.403 2.181 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285584473 551778750 /nfs/dbraw/zinc/77/87/50/551778750.db2.gz HKPBHESHPAXOMF-UHFFFAOYSA-N 1 0 351.432 2.364 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000285630457 551785943 /nfs/dbraw/zinc/78/59/43/551785943.db2.gz YQUWXXMPLOOXDX-UHFFFAOYSA-N 1 0 351.447 2.154 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285665548 551791819 /nfs/dbraw/zinc/79/18/19/551791819.db2.gz PYFDJZXTAFUTNR-KBPBESRZSA-N 1 0 355.460 2.259 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843100 551817874 /nfs/dbraw/zinc/81/78/74/551817874.db2.gz OUTJUOJFBPCNEN-HUUCEWRRSA-N 1 0 369.425 2.479 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021733 551839655 /nfs/dbraw/zinc/83/96/55/551839655.db2.gz ZOJRHVMZSDPKKG-TZMCWYRMSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000286266317 551867460 /nfs/dbraw/zinc/86/74/60/551867460.db2.gz VUSWCKYSQUQVDL-MRXNPFEDSA-N 1 0 358.398 2.218 20 5 FEBDRO COc1ccc(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000286323759 551874607 /nfs/dbraw/zinc/87/46/07/551874607.db2.gz AAXYELAOOSOEJO-HIFRSBDPSA-N 1 0 362.430 2.372 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733710 551920260 /nfs/dbraw/zinc/92/02/60/551920260.db2.gz OBRRFYZOZWKARN-RHSMWYFYSA-N 1 0 367.471 2.026 20 5 FEBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287002578 551950371 /nfs/dbraw/zinc/95/03/71/551950371.db2.gz QCLGVIJAWHLFEE-ZDUSSCGKSA-N 1 0 364.402 2.134 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CCN(CC(F)F)CC1 ZINC000287405486 551999870 /nfs/dbraw/zinc/99/98/70/551999870.db2.gz DXAMFINPHSRYRQ-UHFFFAOYSA-N 1 0 357.357 2.197 20 5 FEBDRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288718639 552200149 /nfs/dbraw/zinc/20/01/49/552200149.db2.gz FTGMXAZGPSCFDH-CQSZACIVSA-N 1 0 369.219 2.219 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000499927570 561562049 /nfs/dbraw/zinc/56/20/49/561562049.db2.gz JYSIMYGQULWNLW-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[C@H](NC(=O)C(=O)NCCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000288851639 552224479 /nfs/dbraw/zinc/22/44/79/552224479.db2.gz IPZOHGLFFYVIKB-INIZCTEOSA-N 1 0 364.446 2.010 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000500108028 561566049 /nfs/dbraw/zinc/56/60/49/561566049.db2.gz DRKIDZNVZCHLAH-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500118115 561566218 /nfs/dbraw/zinc/56/62/18/561566218.db2.gz CTXPXYDXSOCFER-NWDGAFQWSA-N 1 0 351.403 2.167 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289343416 552304459 /nfs/dbraw/zinc/30/44/59/552304459.db2.gz XERMDPPLHBZFKW-LJQANCHMSA-N 1 0 358.442 2.411 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000290004240 552412874 /nfs/dbraw/zinc/41/28/74/552412874.db2.gz ZIZCNDDOKRBKDW-YOEHRIQHSA-N 1 0 359.430 2.070 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290107425 552428696 /nfs/dbraw/zinc/42/86/96/552428696.db2.gz QWZYBCSQXZIJQZ-GFCCVEGCSA-N 1 0 350.419 2.078 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290147527 552434817 /nfs/dbraw/zinc/43/48/17/552434817.db2.gz VNNIWCSLLVJIDX-LLVKDONJSA-N 1 0 370.837 2.423 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000290163054 552436930 /nfs/dbraw/zinc/43/69/30/552436930.db2.gz DLSRNXLBGGWGBK-UHFFFAOYSA-N 1 0 362.430 2.038 20 5 FEBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290178462 552439036 /nfs/dbraw/zinc/43/90/36/552439036.db2.gz NNJSHMJACCAGEY-SJXGUFTOSA-N 1 0 352.456 2.329 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000290219100 552443952 /nfs/dbraw/zinc/44/39/52/552443952.db2.gz JQIFMOKWRQEIKZ-MRXNPFEDSA-N 1 0 374.441 2.183 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602045 552641957 /nfs/dbraw/zinc/64/19/57/552641957.db2.gz BWWJPDBTLDVYLW-NWDGAFQWSA-N 1 0 357.357 2.180 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000291609143 552642803 /nfs/dbraw/zinc/64/28/03/552642803.db2.gz AXUHTFUOXSASED-LBPRGKRZSA-N 1 0 371.434 2.229 20 5 FEBDRO CC[C@H](O)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000291663607 552648592 /nfs/dbraw/zinc/64/85/92/552648592.db2.gz FKYASDFQYFGNNL-JTQLQIEISA-N 1 0 352.309 2.405 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291820851 552664984 /nfs/dbraw/zinc/66/49/84/552664984.db2.gz NVFBBIXANPPLRX-GFCCVEGCSA-N 1 0 357.357 2.181 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292189204 552702676 /nfs/dbraw/zinc/70/26/76/552702676.db2.gz REKLCDCZSWTMCV-MRXNPFEDSA-N 1 0 352.822 2.214 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292189197 552702785 /nfs/dbraw/zinc/70/27/85/552702785.db2.gz REKLCDCZSWTMCV-INIZCTEOSA-N 1 0 352.822 2.214 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000292324378 552715991 /nfs/dbraw/zinc/71/59/91/552715991.db2.gz JKLKJKMSEIXCFH-SECBINFHSA-N 1 0 361.345 2.132 20 5 FEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293073901 552786226 /nfs/dbraw/zinc/78/62/26/552786226.db2.gz NHOPMYVMURHAKR-CQSZACIVSA-N 1 0 360.414 2.474 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294313157 552896147 /nfs/dbraw/zinc/89/61/47/552896147.db2.gz WLJAFVZHPPQXMS-SFHVURJKSA-N 1 0 364.421 2.358 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000294392692 552902711 /nfs/dbraw/zinc/90/27/11/552902711.db2.gz JXYPQCCCBFXMSS-WFASDCNBSA-N 1 0 364.421 2.356 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1O ZINC000295138035 552962392 /nfs/dbraw/zinc/96/23/92/552962392.db2.gz PLCGCTWCMAWMSJ-CQSZACIVSA-N 1 0 350.346 2.141 20 5 FEBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039552 561610447 /nfs/dbraw/zinc/61/04/47/561610447.db2.gz CIRRJFNNWQVEKY-UONOGXRCSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502039550 561610481 /nfs/dbraw/zinc/61/04/81/561610481.db2.gz CIRRJFNNWQVEKY-KBPBESRZSA-N 1 0 355.460 2.432 20 5 FEBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295971569 553083378 /nfs/dbraw/zinc/08/33/78/553083378.db2.gz KLLHDHIFRKDSCM-ZETCQYMHSA-N 1 0 356.231 2.130 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296068178 553099473 /nfs/dbraw/zinc/09/94/73/553099473.db2.gz CZCDJEZWYWYBTP-UHFFFAOYSA-N 1 0 374.441 2.283 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC ZINC000296294545 553136386 /nfs/dbraw/zinc/13/63/86/553136386.db2.gz JVDLFSARIAAWQD-GFCCVEGCSA-N 1 0 366.418 2.465 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296702542 553200079 /nfs/dbraw/zinc/20/00/79/553200079.db2.gz KNTQPEPPAWGCQB-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO Cc1cc(F)c(NC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000296843938 553219187 /nfs/dbraw/zinc/21/91/87/553219187.db2.gz UFGNKDZLFODDJD-VXGBXAGGSA-N 1 0 354.382 2.273 20 5 FEBDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296874083 553223363 /nfs/dbraw/zinc/22/33/63/553223363.db2.gz ZWHBOKTXUZFZSM-QWHCGFSZSA-N 1 0 363.414 2.046 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855137 561627953 /nfs/dbraw/zinc/62/79/53/561627953.db2.gz JNOVKKNKCYTXHF-SGMGOOAPSA-N 1 0 351.403 2.071 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000298348222 553415062 /nfs/dbraw/zinc/41/50/62/553415062.db2.gz MLCQURPBWUHUKQ-INIZCTEOSA-N 1 0 363.414 2.311 20 5 FEBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)OC ZINC000298556701 553440068 /nfs/dbraw/zinc/44/00/68/553440068.db2.gz OWQRMLUUQRYYPW-LBPRGKRZSA-N 1 0 367.402 2.206 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000503523003 561643596 /nfs/dbraw/zinc/64/35/96/561643596.db2.gz NPJKFYBNFZAMQI-TZMCWYRMSA-N 1 0 355.341 2.234 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000299079080 553512598 /nfs/dbraw/zinc/51/25/98/553512598.db2.gz TYYASUCQJDYMFM-MSOLQXFVSA-N 1 0 363.414 2.479 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113331 553517276 /nfs/dbraw/zinc/51/72/76/553517276.db2.gz ZDRMXGGLAYCDLY-CHWSQXEVSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255047 553537412 /nfs/dbraw/zinc/53/74/12/553537412.db2.gz JXGNTAAUKYMKQG-ACJLOTCBSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000299257676 553537916 /nfs/dbraw/zinc/53/79/16/553537916.db2.gz NNJZYTPOUDZBSY-HNNXBMFYSA-N 1 0 363.393 2.048 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000299405077 553558773 /nfs/dbraw/zinc/55/87/73/553558773.db2.gz XCNMWWFRSLUJKE-CYBMUJFWSA-N 1 0 363.414 2.232 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000299418810 553560711 /nfs/dbraw/zinc/56/07/11/553560711.db2.gz DQFFTCIVHDNSSE-GOSISDBHSA-N 1 0 371.441 2.443 20 5 FEBDRO COc1ccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000299435432 553562695 /nfs/dbraw/zinc/56/26/95/553562695.db2.gz GVMCBEQOXGCFSX-OAHLLOKOSA-N 1 0 373.413 2.202 20 5 FEBDRO C[NH+](C)C(C)(C)CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301222001 553632252 /nfs/dbraw/zinc/63/22/52/553632252.db2.gz AZYBJXWODOQPCB-UHFFFAOYSA-N 1 0 351.375 2.343 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301217133 553632319 /nfs/dbraw/zinc/63/23/19/553632319.db2.gz ZNZHVGRKOYHVMU-UHFFFAOYSA-N 1 0 371.441 2.337 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301300099 553639967 /nfs/dbraw/zinc/63/99/67/553639967.db2.gz ZLSITEBVKLJBFD-AWEZNQCLSA-N 1 0 364.402 2.368 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCC[C@H](CO)C3)ncn1)C2 ZINC000301812016 553681596 /nfs/dbraw/zinc/68/15/96/553681596.db2.gz DYBHJTIEDOQATQ-AWEZNQCLSA-N 1 0 369.425 2.156 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000302549358 553720755 /nfs/dbraw/zinc/72/07/55/553720755.db2.gz PTMSRUWDCBRMHL-LLVKDONJSA-N 1 0 359.373 2.478 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000325002935 553774463 /nfs/dbraw/zinc/77/44/63/553774463.db2.gz ZSLJMHWOZJVSRT-HUUCEWRRSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000507458238 561729970 /nfs/dbraw/zinc/72/99/70/561729970.db2.gz DEWXDUZFIHKRRJ-IRXDYDNUSA-N 1 0 367.471 2.432 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330874648 554181869 /nfs/dbraw/zinc/18/18/69/554181869.db2.gz TWMOTMXXOWDFEY-UHFFFAOYSA-N 1 0 355.460 2.337 20 5 FEBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508440057 561762279 /nfs/dbraw/zinc/76/22/79/561762279.db2.gz FKPCJEQDCBDDBX-MRXNPFEDSA-N 1 0 356.430 2.455 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000331150733 554222062 /nfs/dbraw/zinc/22/20/62/554222062.db2.gz OKTLHKVTALCKNJ-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331992568 554359815 /nfs/dbraw/zinc/35/98/15/554359815.db2.gz WMOJLOLLGPQEJZ-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253162 554410527 /nfs/dbraw/zinc/41/05/27/554410527.db2.gz MILHXGSESGUVKZ-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO C[N@H+](CCc1nnnn1-c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511058388 561855361 /nfs/dbraw/zinc/85/53/61/561855361.db2.gz GEMRBNORULSALX-UHFFFAOYSA-N 1 0 352.398 2.288 20 5 FEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)n1C ZINC000350914068 554821898 /nfs/dbraw/zinc/82/18/98/554821898.db2.gz AVBPAAXHOXRBOL-GFCCVEGCSA-N 1 0 362.390 2.003 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362863660 554994188 /nfs/dbraw/zinc/99/41/88/554994188.db2.gz VXAACCWDEPNJBP-NUEKZKHPSA-N 1 0 362.430 2.127 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256146 555065085 /nfs/dbraw/zinc/06/50/85/555065085.db2.gz HKTKMMICEROVGL-MAZHCROVSA-N 1 0 360.370 2.059 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000363679532 555162619 /nfs/dbraw/zinc/16/26/19/555162619.db2.gz VPNKHRZRGODTEW-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363938002 555217930 /nfs/dbraw/zinc/21/79/30/555217930.db2.gz MVHJMEJIYSBQNF-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO Cc1nccc(CN2CCC[C@H](NCc3csc([N+](=O)[O-])c3)C2=O)n1 ZINC000363976667 555225340 /nfs/dbraw/zinc/22/53/40/555225340.db2.gz NIKQGHAGDPFEQU-AWEZNQCLSA-N 1 0 361.427 2.036 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044405 555239267 /nfs/dbraw/zinc/23/92/67/555239267.db2.gz XAEGXDBAICIQLC-QWHCGFSZSA-N 1 0 362.386 2.476 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000364064031 555243424 /nfs/dbraw/zinc/24/34/24/555243424.db2.gz OYBRDPFCQAWKFW-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232890 555275353 /nfs/dbraw/zinc/27/53/53/555275353.db2.gz BVABDDNYMDRRRU-OLZOCXBDSA-N 1 0 351.378 2.421 20 5 FEBDRO C[C@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000364341425 555294960 /nfs/dbraw/zinc/29/49/60/555294960.db2.gz SEHFCDMJBRSMMI-HNNXBMFYSA-N 1 0 360.458 2.332 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000364560898 555338648 /nfs/dbraw/zinc/33/86/48/555338648.db2.gz BWMFLAJJYGTCOM-LPHOPBHVSA-N 1 0 354.410 2.342 20 5 FEBDRO Cc1ccc(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000364629961 555357532 /nfs/dbraw/zinc/35/75/32/555357532.db2.gz MKVYRQRDIKPATQ-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364632294 555358192 /nfs/dbraw/zinc/35/81/92/555358192.db2.gz PSSBOMKZFZFYJL-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccn1C1CC[NH2+]CC1 ZINC000364872872 555421714 /nfs/dbraw/zinc/42/17/14/555421714.db2.gz RXCTZMXOUDIELJ-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365026524 555468062 /nfs/dbraw/zinc/46/80/62/555468062.db2.gz LDGHKWSZIXAPMD-MRXNPFEDSA-N 1 0 369.425 2.062 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000365089501 555482648 /nfs/dbraw/zinc/48/26/48/555482648.db2.gz QRDMDZMRKCHTGL-AWEZNQCLSA-N 1 0 350.419 2.132 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000365153110 555496522 /nfs/dbraw/zinc/49/65/22/555496522.db2.gz LICXIBVNRLNIBI-HNNXBMFYSA-N 1 0 353.444 2.234 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365332115 555545263 /nfs/dbraw/zinc/54/52/63/555545263.db2.gz RBCUBZKQGAVZBM-WCMCAJIFSA-N 1 0 372.469 2.240 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365546348 555605171 /nfs/dbraw/zinc/60/51/71/555605171.db2.gz KZZKIEKOBFMIGS-PJODQICGSA-N 1 0 355.398 2.027 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCn2cncc2C1 ZINC000365734865 555654634 /nfs/dbraw/zinc/65/46/34/555654634.db2.gz SXYGMOMBPHLTHY-UHFFFAOYSA-N 1 0 358.401 2.394 20 5 FEBDRO CC(C)c1ccc(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000513406234 561937029 /nfs/dbraw/zinc/93/70/29/561937029.db2.gz ONDUBBMKSJPUGW-UHFFFAOYSA-N 1 0 374.485 2.458 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(c2ncccn2)CC1 ZINC000365846942 555682181 /nfs/dbraw/zinc/68/21/81/555682181.db2.gz XMLRGZQEJWXXMU-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365859414 555685360 /nfs/dbraw/zinc/68/53/60/555685360.db2.gz GCZFUKAFCQJSHK-XJKSGUPXSA-N 1 0 364.471 2.045 20 5 FEBDRO CC(C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCC1 ZINC000365928806 555703624 /nfs/dbraw/zinc/70/36/24/555703624.db2.gz POYPMWBREALELP-QGZVFWFLSA-N 1 0 363.462 2.465 20 5 FEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000513543110 561942227 /nfs/dbraw/zinc/94/22/27/561942227.db2.gz OUGGXYORAUBPTM-SWLSCSKDSA-N 1 0 374.397 2.372 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000366195527 555777988 /nfs/dbraw/zinc/77/79/88/555777988.db2.gz MLSAVWIIPITWNH-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000366550740 555874139 /nfs/dbraw/zinc/87/41/39/555874139.db2.gz GOTPVQSZXDLRHX-UONOGXRCSA-N 1 0 365.434 2.123 20 5 FEBDRO Cc1c(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000366916840 555969317 /nfs/dbraw/zinc/96/93/17/555969317.db2.gz MEYQRKINHFOKOM-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1F ZINC000366940583 555977163 /nfs/dbraw/zinc/97/71/63/555977163.db2.gz JNCCFLYFVNMKEB-CQSZACIVSA-N 1 0 371.434 2.195 20 5 FEBDRO CC(C)(C)OC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000514600728 561968899 /nfs/dbraw/zinc/96/88/99/561968899.db2.gz TXRFNFWHJIQREM-UHFFFAOYSA-N 1 0 368.434 2.004 20 5 FEBDRO O=C([C@H]1CC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2)N1CCCC1 ZINC000367557978 556082547 /nfs/dbraw/zinc/08/25/47/556082547.db2.gz WCEMLVGNVSUNGE-QZTJIDSGSA-N 1 0 373.453 2.353 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651923 556105639 /nfs/dbraw/zinc/10/56/39/556105639.db2.gz YDEAFMHIPPKOAK-PBHICJAKSA-N 1 0 369.425 2.479 20 5 FEBDRO CN1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000367706255 556119449 /nfs/dbraw/zinc/11/94/49/556119449.db2.gz RVCYFYGYLSMBBQ-ZBFHGGJFSA-N 1 0 351.357 2.105 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514885813 561985175 /nfs/dbraw/zinc/98/51/75/561985175.db2.gz BDCIYAMUYNLXOD-UHFFFAOYSA-N 1 0 363.462 2.054 20 5 FEBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368101602 556219412 /nfs/dbraw/zinc/21/94/12/556219412.db2.gz ZVHVAOVONIXBRU-JVLSTEMRSA-N 1 0 351.353 2.429 20 5 FEBDRO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000515123878 561997179 /nfs/dbraw/zinc/99/71/79/561997179.db2.gz KUFRRHMGPVODMR-BBWFWOEESA-N 1 0 365.478 2.221 20 5 FEBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395863 556295942 /nfs/dbraw/zinc/29/59/42/556295942.db2.gz WUCWUEZSBWRIGE-FZMZJTMJSA-N 1 0 351.378 2.233 20 5 FEBDRO CC1(CNC(=O)c2cccc([N+](=O)[O-])c2N)C[NH+](Cc2ccccc2)C1 ZINC000368414165 556301184 /nfs/dbraw/zinc/30/11/84/556301184.db2.gz YYJVXZXQRXMEPG-UHFFFAOYSA-N 1 0 354.410 2.429 20 5 FEBDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000368762919 556407779 /nfs/dbraw/zinc/40/77/79/556407779.db2.gz XHFOAXQKSGFFSJ-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO Cc1ncc(CN2CC[C@@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000368963712 556460952 /nfs/dbraw/zinc/46/09/52/556460952.db2.gz CDXMSCGNDYTNDF-BLLLJJGKSA-N 1 0 364.475 2.056 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000369172802 556524708 /nfs/dbraw/zinc/52/47/08/556524708.db2.gz YNRPDRYWOZRISI-UHFFFAOYSA-N 1 0 367.471 2.391 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000369824997 556705655 /nfs/dbraw/zinc/70/56/55/556705655.db2.gz FJTZZGWLGCANGG-CJNGLKHVSA-N 1 0 352.341 2.268 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3F)C2)c1 ZINC000369974995 556746222 /nfs/dbraw/zinc/74/62/22/556746222.db2.gz QVXWXGYAIXCKCI-UKRRQHHQSA-N 1 0 364.377 2.007 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000370083590 556776373 /nfs/dbraw/zinc/77/63/73/556776373.db2.gz RLDPLKQSQSHMBF-CVEARBPZSA-N 1 0 360.458 2.001 20 5 FEBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147948 556794558 /nfs/dbraw/zinc/79/45/58/556794558.db2.gz HLTBPTDJCCXINX-YOEHRIQHSA-N 1 0 373.457 2.194 20 5 FEBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CC[NH+](Cc2ccncc2)CC1 ZINC000370154599 556796302 /nfs/dbraw/zinc/79/63/02/556796302.db2.gz AGLMDRNTDVLIRF-UHFFFAOYSA-N 1 0 369.425 2.309 20 5 FEBDRO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000370195131 556807802 /nfs/dbraw/zinc/80/78/02/556807802.db2.gz SKHAXNYDMHDPJW-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000370201721 556809283 /nfs/dbraw/zinc/80/92/83/556809283.db2.gz NTALQGVGKLHOPB-SJORKVTESA-N 1 0 350.415 2.355 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1ccccc1[N+](=O)[O-] ZINC000370308937 556836546 /nfs/dbraw/zinc/83/65/46/556836546.db2.gz QKTLYPFSGDCTNS-UHFFFAOYSA-N 1 0 358.446 2.391 20 5 FEBDRO O=C(CCN1CC[NH+]([C@@H]2CCSC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370412359 556865657 /nfs/dbraw/zinc/86/56/57/556865657.db2.gz AKKSGENVPJZOBP-MRXNPFEDSA-N 1 0 364.471 2.047 20 5 FEBDRO Cc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000370417985 556867180 /nfs/dbraw/zinc/86/71/80/556867180.db2.gz DRRYQNOFGPFMEX-CABCVRRESA-N 1 0 358.373 2.191 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829836 556981756 /nfs/dbraw/zinc/98/17/56/556981756.db2.gz JIKVAUNLMIVMPL-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370900960 557008195 /nfs/dbraw/zinc/00/81/95/557008195.db2.gz UVGRFAAGEQTKAF-HNNXBMFYSA-N 1 0 374.441 2.400 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370920074 557015960 /nfs/dbraw/zinc/01/59/60/557015960.db2.gz YVQFZRYJHALZKM-ABAIWWIYSA-N 1 0 363.443 2.203 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000371087203 557070456 /nfs/dbraw/zinc/07/04/56/557070456.db2.gz MGQVQSUQXIFGGX-UHFFFAOYSA-N 1 0 353.444 2.031 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000517231180 562081301 /nfs/dbraw/zinc/08/13/01/562081301.db2.gz VAXLOTHOADGUDJ-SZVBFZGTSA-N 1 0 373.409 2.239 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000517569630 562092753 /nfs/dbraw/zinc/09/27/53/562092753.db2.gz MGOUIPXISIVUGV-HIFRSBDPSA-N 1 0 364.446 2.044 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069347 562103633 /nfs/dbraw/zinc/10/36/33/562103633.db2.gz OJXMVSXURLWASG-STQMWFEESA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000518103928 562104659 /nfs/dbraw/zinc/10/46/59/562104659.db2.gz MVLWIJPZOVYVGQ-KBPBESRZSA-N 1 0 362.430 2.221 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371645119 557249225 /nfs/dbraw/zinc/24/92/25/557249225.db2.gz FHYCLYOFAAWQMZ-HNNXBMFYSA-N 1 0 353.382 2.053 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517867689 562099433 /nfs/dbraw/zinc/09/94/33/562099433.db2.gz XASAQUIPHSLIBD-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO CN(C)C(=O)c1cccc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372281505 557428553 /nfs/dbraw/zinc/42/85/53/557428553.db2.gz IVNWVOVQPUGPJK-MRXNPFEDSA-N 1 0 357.414 2.330 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000372573753 557509235 /nfs/dbraw/zinc/50/92/35/557509235.db2.gz WHTJVXVUMAWBBK-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1C ZINC000372791449 557563139 /nfs/dbraw/zinc/56/31/39/557563139.db2.gz ZIUFKZFZQORPIO-JKSUJKDBSA-N 1 0 353.444 2.104 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000372869892 557579282 /nfs/dbraw/zinc/57/92/82/557579282.db2.gz KUACXVXTPGWNSJ-UVBSCNOISA-N 1 0 357.414 2.199 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000519828431 562145778 /nfs/dbraw/zinc/14/57/78/562145778.db2.gz TZDIAQCVSZFKSG-LLVKDONJSA-N 1 0 365.789 2.454 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000373894480 557781724 /nfs/dbraw/zinc/78/17/24/557781724.db2.gz SCZFALOJINYKLY-IINYFYTJSA-N 1 0 362.411 2.180 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929124 557789302 /nfs/dbraw/zinc/78/93/02/557789302.db2.gz LPRXCZYLDDCZSM-KBPBESRZSA-N 1 0 355.398 2.137 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000373939095 557792159 /nfs/dbraw/zinc/79/21/59/557792159.db2.gz QMZUDMDEIVYUPL-OLZOCXBDSA-N 1 0 363.414 2.359 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000374213188 557843970 /nfs/dbraw/zinc/84/39/70/557843970.db2.gz IEAXZHOUFQZIAF-UHFFFAOYSA-N 1 0 365.405 2.447 20 5 FEBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCCC[C@@H]1C ZINC000520972474 562166778 /nfs/dbraw/zinc/16/67/78/562166778.db2.gz WBMNLXQEQCKGID-UONOGXRCSA-N 1 0 372.429 2.168 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000374609080 557906325 /nfs/dbraw/zinc/90/63/25/557906325.db2.gz DNXOGJXXCHEWEQ-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374834159 557938175 /nfs/dbraw/zinc/93/81/75/557938175.db2.gz RUAQFEIAEGZMRN-LLVKDONJSA-N 1 0 350.394 2.405 20 5 FEBDRO CC1CCC([NH+]2CCC(N(C)C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CC1 ZINC000374837389 557938729 /nfs/dbraw/zinc/93/87/29/557938729.db2.gz JAJVRPUXTRUNPQ-UHFFFAOYSA-N 1 0 363.462 2.443 20 5 FEBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374884403 557945730 /nfs/dbraw/zinc/94/57/30/557945730.db2.gz VFOWLQBCTZBJPA-GDBMZVCRSA-N 1 0 366.425 2.960 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000374917086 557950977 /nfs/dbraw/zinc/95/09/77/557950977.db2.gz XWYWZBUTPQETGE-MFKMUULPSA-N 1 0 355.341 2.362 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375035235 557967703 /nfs/dbraw/zinc/96/77/03/557967703.db2.gz BXPFKNRFCHMNCB-ABAIWWIYSA-N 1 0 373.862 2.271 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000375291357 558004928 /nfs/dbraw/zinc/00/49/28/558004928.db2.gz GRGZJOMFBVCAKI-UHFFFAOYSA-N 1 0 351.357 2.282 20 5 FEBDRO Cc1cccc(OC[C@@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000521436499 562176410 /nfs/dbraw/zinc/17/64/10/562176410.db2.gz ZNDLUJLYZYSLOV-HNNXBMFYSA-N 1 0 373.409 2.261 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000375931311 558101626 /nfs/dbraw/zinc/10/16/26/558101626.db2.gz KQCMJLOBDORJBN-ZIAGYGMSSA-N 1 0 365.455 2.047 20 5 FEBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375963678 558106304 /nfs/dbraw/zinc/10/63/04/558106304.db2.gz KQLCNLYWIDFJLW-INIZCTEOSA-N 1 0 356.338 2.120 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000376211177 558141718 /nfs/dbraw/zinc/14/17/18/558141718.db2.gz PELZBZKCPMWZIZ-OAHLLOKOSA-N 1 0 360.458 2.465 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376450275 558174808 /nfs/dbraw/zinc/17/48/08/558174808.db2.gz PXGKDTHSFSGZLG-AWEZNQCLSA-N 1 0 360.458 2.402 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000376468319 558177165 /nfs/dbraw/zinc/17/71/65/558177165.db2.gz JZQASFZADKDXBQ-YJBOKZPZSA-N 1 0 350.415 2.370 20 5 FEBDRO COc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000521870725 562185316 /nfs/dbraw/zinc/18/53/16/562185316.db2.gz JHNDMHJSTDMEIK-QGZVFWFLSA-N 1 0 370.409 2.371 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521904567 562186149 /nfs/dbraw/zinc/18/61/49/562186149.db2.gz VTCUPTVOKRFACT-STQMWFEESA-N 1 0 351.451 2.368 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c([N+](=O)[O-])c1 ZINC000377393751 558332173 /nfs/dbraw/zinc/33/21/73/558332173.db2.gz UNFDNFCRBLHYTD-UHFFFAOYSA-N 1 0 358.358 2.052 20 5 FEBDRO CC(C)[C@@]1(CO)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377645448 558385531 /nfs/dbraw/zinc/38/55/31/558385531.db2.gz QBXVVIFBOGWJFY-KRWDZBQOSA-N 1 0 353.394 2.403 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413864 /nfs/dbraw/zinc/41/38/64/558413864.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 1 0 355.442 2.245 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378230557 558506983 /nfs/dbraw/zinc/50/69/83/558506983.db2.gz QNBREUXEVHUQMF-GOEBONIOSA-N 1 0 367.471 2.310 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000378584367 558588943 /nfs/dbraw/zinc/58/89/43/558588943.db2.gz TWMCVZXSONLCIH-IIDMSEBBSA-N 1 0 367.409 2.178 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1C ZINC000397273366 558624509 /nfs/dbraw/zinc/62/45/09/558624509.db2.gz OUSGDBFZRIYHAU-BZPMIXESSA-N 1 0 355.460 2.206 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000404372801 558631214 /nfs/dbraw/zinc/63/12/14/558631214.db2.gz SBDNUYGZKHFGQX-YPMHNXCESA-N 1 0 351.403 2.202 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1C ZINC000405307689 558632252 /nfs/dbraw/zinc/63/22/52/558632252.db2.gz NCOXXVOZIJBSNL-SMDDNHRTSA-N 1 0 355.460 2.350 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239624 558659809 /nfs/dbraw/zinc/65/98/09/558659809.db2.gz ZTOCLZOAYMCPFZ-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000524805336 562235402 /nfs/dbraw/zinc/23/54/02/562235402.db2.gz WKINZFQCRQPMAV-OAHLLOKOSA-N 1 0 363.462 2.441 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000411167442 558847523 /nfs/dbraw/zinc/84/75/23/558847523.db2.gz XGMSGKYZIJHGQL-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411193913 558851384 /nfs/dbraw/zinc/85/13/84/558851384.db2.gz PQJPJHMSUHLPBM-FGTMMUONSA-N 1 0 361.442 2.171 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411228697 558856720 /nfs/dbraw/zinc/85/67/20/558856720.db2.gz RMNSCVIENLSVID-ZIAGYGMSSA-N 1 0 362.430 2.221 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000411258881 558862285 /nfs/dbraw/zinc/86/22/85/558862285.db2.gz MQFNDEDNVWRZHN-OAHLLOKOSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000411314201 558874608 /nfs/dbraw/zinc/87/46/08/558874608.db2.gz ZIWXVZKZALIYAQ-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411734117 558952445 /nfs/dbraw/zinc/95/24/45/558952445.db2.gz HTEJHMLKLKLPQI-LBPRGKRZSA-N 1 0 353.394 2.133 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799785 558965613 /nfs/dbraw/zinc/96/56/13/558965613.db2.gz XBHYEXMJYWKDLG-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833553 558972558 /nfs/dbraw/zinc/97/25/58/558972558.db2.gz JNDQDIPJTBRHGO-AWEZNQCLSA-N 1 0 367.471 2.464 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000412054952 559007507 /nfs/dbraw/zinc/00/75/07/559007507.db2.gz JXRWIDFYIZDXMN-INIZCTEOSA-N 1 0 374.441 2.400 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000412125964 559015693 /nfs/dbraw/zinc/01/56/93/559015693.db2.gz DMZLDVWAGXGHEX-NSHDSACASA-N 1 0 355.410 2.378 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413097071 559077655 /nfs/dbraw/zinc/07/76/55/559077655.db2.gz BYDSCUOMZZBYGF-OKILXGFUSA-N 1 0 351.426 2.124 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000413189632 559087239 /nfs/dbraw/zinc/08/72/39/559087239.db2.gz CHTHJZOOSLBUDC-PBHICJAKSA-N 1 0 360.389 2.424 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000413974786 559144425 /nfs/dbraw/zinc/14/44/25/559144425.db2.gz FSRWFWYWCJLYEM-CRAIPNDOSA-N 1 0 372.425 2.190 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000414463620 559165813 /nfs/dbraw/zinc/16/58/13/559165813.db2.gz KTJRSHNKYQKQHZ-STQMWFEESA-N 1 0 361.851 2.318 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564156 559172080 /nfs/dbraw/zinc/17/20/80/559172080.db2.gz XHVHEBNDGLNIHA-SJKOYZFVSA-N 1 0 362.382 2.039 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH2+]C)C2)c([N+](=O)[O-])cc1OCC ZINC000414758659 559185600 /nfs/dbraw/zinc/18/56/00/559185600.db2.gz MYFAKWZJQVAHQX-NSHDSACASA-N 1 0 352.391 2.218 20 5 FEBDRO COC[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCC[NH2+]1 ZINC000414945979 559196351 /nfs/dbraw/zinc/19/63/51/559196351.db2.gz JAZMDPURYJBGIQ-OAHLLOKOSA-N 1 0 374.344 2.086 20 5 FEBDRO O=C(NCC[NH2+]C1CCCCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415457203 559239117 /nfs/dbraw/zinc/23/91/17/559239117.db2.gz SOEJMTCIAXPGOF-UHFFFAOYSA-N 1 0 366.393 2.101 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415591757 559253479 /nfs/dbraw/zinc/25/34/79/559253479.db2.gz BBLNGZTVSCVYGH-NEPJUHHUSA-N 1 0 350.375 2.081 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415591759 559253570 /nfs/dbraw/zinc/25/35/70/559253570.db2.gz BBLNGZTVSCVYGH-NWDGAFQWSA-N 1 0 350.375 2.081 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000415657829 559258839 /nfs/dbraw/zinc/25/88/39/559258839.db2.gz MWEGUBAKNPELBX-ZWNOBZJWSA-N 1 0 352.391 2.228 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000415702171 559263601 /nfs/dbraw/zinc/26/36/01/559263601.db2.gz PDCYRCKDUUCEKY-CYBMUJFWSA-N 1 0 350.419 2.392 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415863118 559279403 /nfs/dbraw/zinc/27/94/03/559279403.db2.gz QVCDRJAVLLIZLE-INIZCTEOSA-N 1 0 374.441 2.078 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410095 559310914 /nfs/dbraw/zinc/31/09/14/559310914.db2.gz WKYAWFDGLOXUNI-UONOGXRCSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H]([NH3+])CCNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416876101 559336151 /nfs/dbraw/zinc/33/61/51/559336151.db2.gz BUPXNUOKRRBJJR-VIFPVBQESA-N 1 0 363.340 2.062 20 5 FEBDRO COc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417177462 559351512 /nfs/dbraw/zinc/35/15/12/559351512.db2.gz CWTBXEQZBLGZTR-JKSUJKDBSA-N 1 0 370.409 2.240 20 5 FEBDRO COc1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000417194223 559352326 /nfs/dbraw/zinc/35/23/26/559352326.db2.gz MLSTXJCLLAINSM-UHFFFAOYSA-N 1 0 372.425 2.316 20 5 FEBDRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417320123 559357405 /nfs/dbraw/zinc/35/74/05/559357405.db2.gz IVUXOYSYVAHUEB-QGZVFWFLSA-N 1 0 367.471 2.376 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325273 559357588 /nfs/dbraw/zinc/35/75/88/559357588.db2.gz BOZOPNGKBYDCFK-BBRMVZONSA-N 1 0 355.460 2.280 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716047 559373671 /nfs/dbraw/zinc/37/36/71/559373671.db2.gz LBFZDUFCQNQVSE-HUUCEWRRSA-N 1 0 363.462 2.332 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751678 559413999 /nfs/dbraw/zinc/41/39/99/559413999.db2.gz RPVADBYDTPRSDK-UKRRQHHQSA-N 1 0 368.384 2.481 20 5 FEBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420280827 559478626 /nfs/dbraw/zinc/47/86/26/559478626.db2.gz VEWPXQBJBUOWGA-MRXNPFEDSA-N 1 0 354.410 2.141 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420386188 559484678 /nfs/dbraw/zinc/48/46/78/559484678.db2.gz VEEAOYNESSVZIJ-SFHVURJKSA-N 1 0 362.430 2.008 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390592 559484766 /nfs/dbraw/zinc/48/47/66/559484766.db2.gz YLSIWWPMXCYWNW-UGSOOPFHSA-N 1 0 362.430 2.006 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420449217 559487947 /nfs/dbraw/zinc/48/79/47/559487947.db2.gz NJMOWILSTHSAFW-JTQLQIEISA-N 1 0 367.349 2.034 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](CCc2ccccc2)CC1 ZINC000420582507 559492780 /nfs/dbraw/zinc/49/27/80/559492780.db2.gz HIMDEBNHJPFGOH-UHFFFAOYSA-N 1 0 354.410 2.058 20 5 FEBDRO CON1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421204672 559530871 /nfs/dbraw/zinc/53/08/71/559530871.db2.gz FVOXIVOUBLAYQU-SNVBAGLBSA-N 1 0 356.810 2.191 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000421377094 559540369 /nfs/dbraw/zinc/54/03/69/559540369.db2.gz HMAJOMYJJLPBHP-AWEZNQCLSA-N 1 0 353.444 2.161 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000421678601 559549114 /nfs/dbraw/zinc/54/91/14/559549114.db2.gz BRZBKFDCYXEYKM-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423618415 559634021 /nfs/dbraw/zinc/63/40/21/559634021.db2.gz WVUVKFCYFQOZDK-GOEBONIOSA-N 1 0 357.414 2.130 20 5 FEBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000423943543 559647512 /nfs/dbraw/zinc/64/75/12/559647512.db2.gz RDMVFUUTEXWTJW-LLVKDONJSA-N 1 0 373.356 2.452 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423949289 559647652 /nfs/dbraw/zinc/64/76/52/559647652.db2.gz MLAGMCOGIYBMGC-AWEZNQCLSA-N 1 0 353.444 2.032 20 5 FEBDRO C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423986521 559649036 /nfs/dbraw/zinc/64/90/36/559649036.db2.gz TWQYAYRWIZSNRF-BDJLRTHQSA-N 1 0 355.822 2.460 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000423987461 559649182 /nfs/dbraw/zinc/64/91/82/559649182.db2.gz VNXPPVYFZSNFMY-JDNHERCYSA-N 1 0 373.356 2.262 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000424009351 559650678 /nfs/dbraw/zinc/65/06/78/559650678.db2.gz XXMMIGZGZZQUCJ-JKSUJKDBSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424021766 559651539 /nfs/dbraw/zinc/65/15/39/559651539.db2.gz UHPKASOFWYFWJV-OCCSQVGLSA-N 1 0 367.471 2.280 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424021762 559651595 /nfs/dbraw/zinc/65/15/95/559651595.db2.gz UHPKASOFWYFWJV-GXTWGEPZSA-N 1 0 367.471 2.280 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000424034773 559652072 /nfs/dbraw/zinc/65/20/72/559652072.db2.gz BRORHEODXKNDPB-QGZVFWFLSA-N 1 0 363.462 2.035 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424038896 559652168 /nfs/dbraw/zinc/65/21/68/559652168.db2.gz MLVVTOGGETYEPL-GOEBONIOSA-N 1 0 359.357 2.309 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424050042 559652685 /nfs/dbraw/zinc/65/26/85/559652685.db2.gz AULIIZAJEHJGTO-UMVBOHGHSA-N 1 0 357.414 2.226 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000425241728 559692950 /nfs/dbraw/zinc/69/29/50/559692950.db2.gz QQODTMCPWOLGGX-CYBMUJFWSA-N 1 0 367.413 2.670 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000425511988 559707073 /nfs/dbraw/zinc/70/70/73/559707073.db2.gz XPHIGSJIOIHBPZ-UHFFFAOYSA-N 1 0 355.410 2.285 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428002903 559767308 /nfs/dbraw/zinc/76/73/08/559767308.db2.gz AIRSUKZPLQCMGJ-CYBMUJFWSA-N 1 0 372.425 2.401 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC1CC[NH2+]CC1 ZINC000428160161 559770739 /nfs/dbraw/zinc/77/07/39/559770739.db2.gz UXDDZKAIWIBBTH-UHFFFAOYSA-N 1 0 356.220 2.016 20 5 FEBDRO Nc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc(F)cc1[N+](=O)[O-] ZINC000428527966 559777428 /nfs/dbraw/zinc/77/74/28/559777428.db2.gz ZAMDVXMKVQWXLX-CQSZACIVSA-N 1 0 374.372 2.135 20 5 FEBDRO C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000428983635 559787305 /nfs/dbraw/zinc/78/73/05/559787305.db2.gz QPNNXJLTPWCIOC-GXTWGEPZSA-N 1 0 357.414 2.113 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999089 559787841 /nfs/dbraw/zinc/78/78/41/559787841.db2.gz RZQLDYXJVNAMAG-VKJFTORMSA-N 1 0 360.458 2.220 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000429492820 559799753 /nfs/dbraw/zinc/79/97/53/559799753.db2.gz HAOPEWWCPJIHTO-CHWSQXEVSA-N 1 0 370.409 2.049 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568036 559822990 /nfs/dbraw/zinc/82/29/90/559822990.db2.gz BXBIOWHCLKJSNG-OCCSQVGLSA-N 1 0 352.435 2.236 20 5 FEBDRO C[C@H]([NH3+])C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430690303 559826456 /nfs/dbraw/zinc/82/64/56/559826456.db2.gz CWRIFHOGROPSAK-ZDUSSCGKSA-N 1 0 374.466 2.315 20 5 FEBDRO Cc1cc(OCC(=O)Nc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000430797216 559828443 /nfs/dbraw/zinc/82/84/43/559828443.db2.gz CSYYJNXRAQWMDA-UHFFFAOYSA-N 1 0 374.397 2.256 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432178345 559853528 /nfs/dbraw/zinc/85/35/28/559853528.db2.gz QGRHMPZYPFIGSE-AWEZNQCLSA-N 1 0 372.425 2.322 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000432584530 559861352 /nfs/dbraw/zinc/86/13/52/559861352.db2.gz PIRCTUPJTFGSTQ-UHFFFAOYSA-N 1 0 372.425 2.322 20 5 FEBDRO C[N@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039694 559870345 /nfs/dbraw/zinc/87/03/45/559870345.db2.gz NFLKCWMRPJEYBV-MOPGFXCFSA-N 1 0 369.421 2.236 20 5 FEBDRO Cc1[nH]nc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000434649050 559904511 /nfs/dbraw/zinc/90/45/11/559904511.db2.gz SNIWEWDRURLJMU-UHFFFAOYSA-N 1 0 373.413 2.378 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000438282046 559976558 /nfs/dbraw/zinc/97/65/58/559976558.db2.gz KHCDFGGJDDXPPD-OCBCSQNSSA-N 1 0 372.425 2.400 20 5 FEBDRO Cc1cccc(NC[C@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)[nH+]1 ZINC000439172145 559989612 /nfs/dbraw/zinc/98/96/12/559989612.db2.gz RCQUMUUXXRNYRA-CYBMUJFWSA-N 1 0 355.398 2.336 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000439485412 559995626 /nfs/dbraw/zinc/99/56/26/559995626.db2.gz SLEGVPAWDZOXAX-GOSISDBHSA-N 1 0 366.414 2.265 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000440076009 560004397 /nfs/dbraw/zinc/00/43/97/560004397.db2.gz IXJYMCKQOQNJJS-CHWSQXEVSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000447429533 560162124 /nfs/dbraw/zinc/16/21/24/560162124.db2.gz ZKOOIBZMUOHPJS-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000447672741 560166525 /nfs/dbraw/zinc/16/65/25/560166525.db2.gz VCYSXRSRHKLDJA-UHFFFAOYSA-N 1 0 369.425 2.488 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000447691655 560167208 /nfs/dbraw/zinc/16/72/08/560167208.db2.gz UMQCBMQIVMDBKB-UHFFFAOYSA-N 1 0 372.473 2.325 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC(CC[NH+]4CCOCC4)CC3)nc2c1 ZINC000447695909 560167416 /nfs/dbraw/zinc/16/74/16/560167416.db2.gz ZNGKHEGFDNSDMT-UHFFFAOYSA-N 1 0 359.430 2.410 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448032185 560176380 /nfs/dbraw/zinc/17/63/80/560176380.db2.gz UQYPHTCYPFQTCQ-INIZCTEOSA-N 1 0 363.462 2.426 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+]1CCCC1 ZINC000448741526 560197511 /nfs/dbraw/zinc/19/75/11/560197511.db2.gz WVFRUGFQHHKBJV-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000448831331 560201324 /nfs/dbraw/zinc/20/13/24/560201324.db2.gz QJLGJPRTYANJBU-MRXNPFEDSA-N 1 0 369.425 2.481 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449101910 560215856 /nfs/dbraw/zinc/21/58/56/560215856.db2.gz VZIUBQSQJNRUMV-HNNXBMFYSA-N 1 0 353.444 2.186 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000449322642 560225046 /nfs/dbraw/zinc/22/50/46/560225046.db2.gz YNJFSMMVDSEBEZ-DZGCQCFKSA-N 1 0 367.471 2.072 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000449616242 560234889 /nfs/dbraw/zinc/23/48/89/560234889.db2.gz CGZXCKBJERYOOA-AWEZNQCLSA-N 1 0 366.414 2.130 20 5 FEBDRO Cn1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449641705 560235370 /nfs/dbraw/zinc/23/53/70/560235370.db2.gz DRPGGYYHWPWLLM-JSGCOSHPSA-N 1 0 357.414 2.243 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000449703858 560237402 /nfs/dbraw/zinc/23/74/02/560237402.db2.gz GUQUCIHPEGUZOT-MRXNPFEDSA-N 1 0 370.409 2.447 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449722141 560238177 /nfs/dbraw/zinc/23/81/77/560238177.db2.gz PJWDUAJDVCNEIM-GZMMTYOYSA-N 1 0 351.350 2.471 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000449747785 560238839 /nfs/dbraw/zinc/23/88/39/560238839.db2.gz KEGIZVGEGJSOHH-INIZCTEOSA-N 1 0 371.441 2.327 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449986042 560247282 /nfs/dbraw/zinc/24/72/82/560247282.db2.gz NPPFVLDMXPESEW-YVEFUNNKSA-N 1 0 357.414 2.397 20 5 FEBDRO Cc1nc(N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371278 560260346 /nfs/dbraw/zinc/26/03/46/560260346.db2.gz GBQMPDWMZMVSQK-ZIAGYGMSSA-N 1 0 363.462 2.409 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)nc1-c1ccc(F)cc1 ZINC000450617498 560268185 /nfs/dbraw/zinc/26/81/85/560268185.db2.gz RBQRQSULCNISTP-INIZCTEOSA-N 1 0 374.416 3.055 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450799690 560273907 /nfs/dbraw/zinc/27/39/07/560273907.db2.gz XBVRFVGCOQDYQT-BETUJISGSA-N 1 0 360.414 2.043 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000450895992 560277161 /nfs/dbraw/zinc/27/71/61/560277161.db2.gz ZGSMGTHLJTYEEY-GFCCVEGCSA-N 1 0 352.822 2.039 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451425456 560306414 /nfs/dbraw/zinc/30/64/14/560306414.db2.gz UEQHCHLXWXRCJS-LXZKKBNFSA-N 1 0 363.414 2.167 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476449 560309316 /nfs/dbraw/zinc/30/93/16/560309316.db2.gz FUZWIVVTFHXFSG-JLZZUVOBSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000451488711 560310047 /nfs/dbraw/zinc/31/00/47/560310047.db2.gz GPARFJMQJYJCPL-GJZGRUSLSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451499581 560310619 /nfs/dbraw/zinc/31/06/19/560310619.db2.gz MCCVPBUGMLYZTC-AMKSKSKJSA-N 1 0 351.403 2.191 20 5 FEBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000451707580 560323736 /nfs/dbraw/zinc/32/37/36/560323736.db2.gz LPFYZOSRHZFMRQ-KRWDZBQOSA-N 1 0 370.453 2.210 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763677 560327253 /nfs/dbraw/zinc/32/72/53/560327253.db2.gz SXJGBOZAYJOHDX-GDBMZVCRSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452369902 560360825 /nfs/dbraw/zinc/36/08/25/560360825.db2.gz FFBXEZAODAWLEF-AEFFLSMTSA-N 1 0 363.458 2.127 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454066010 560426242 /nfs/dbraw/zinc/42/62/42/560426242.db2.gz HBQUERMVAZHFFJ-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])n3C)ccc2n1[C@H](C)CO ZINC000456693904 560529350 /nfs/dbraw/zinc/52/93/50/560529350.db2.gz BIEXBRYSZSAJKG-SNVBAGLBSA-N 1 0 357.370 2.397 20 5 FEBDRO COc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000457053232 560545968 /nfs/dbraw/zinc/54/59/68/560545968.db2.gz PCSRUSWVJIYQJL-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457129524 560551469 /nfs/dbraw/zinc/55/14/69/560551469.db2.gz VUTICUISHIFBDG-UHFFFAOYSA-N 1 0 369.425 2.014 20 5 FEBDRO COc1ccc(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000457927637 560594669 /nfs/dbraw/zinc/59/46/69/560594669.db2.gz MLNZVKLFXBGEKK-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458890398 560654298 /nfs/dbraw/zinc/65/42/98/560654298.db2.gz OYHXSWOTYJEKAA-YOEHRIQHSA-N 1 0 364.446 2.048 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459330115 560680087 /nfs/dbraw/zinc/68/00/87/560680087.db2.gz ZCNDEDWISLSBFE-AWEZNQCLSA-N 1 0 362.430 2.231 20 5 FEBDRO COc1cc(C[NH2+]CCc2cn(C)cn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000459669999 560701404 /nfs/dbraw/zinc/70/14/04/560701404.db2.gz VFXYSLGEZODCEQ-UHFFFAOYSA-N 1 0 370.356 2.313 20 5 FEBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000459704883 560703401 /nfs/dbraw/zinc/70/34/01/560703401.db2.gz MKXREACAUPMGBT-KXBFYZLASA-N 1 0 357.410 2.148 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459758247 560706437 /nfs/dbraw/zinc/70/64/37/560706437.db2.gz LLVLGTDWCXAWBI-CVEARBPZSA-N 1 0 363.414 2.479 20 5 FEBDRO CO[C@@H]1C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000459758913 560706592 /nfs/dbraw/zinc/70/65/92/560706592.db2.gz LOIYAOPJRPXKAT-HZPDHXFCSA-N 1 0 361.398 2.440 20 5 FEBDRO C[C@H](CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818087 560710699 /nfs/dbraw/zinc/71/06/99/560710699.db2.gz XZUKWIQVMDVALS-GFCCVEGCSA-N 1 0 351.403 2.443 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000460371314 560742802 /nfs/dbraw/zinc/74/28/02/560742802.db2.gz GRLDSUTVLLOCDT-UHFFFAOYSA-N 1 0 366.466 2.089 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000464932839 560855273 /nfs/dbraw/zinc/85/52/73/560855273.db2.gz DUZUZNOGPNNLAW-CQSZACIVSA-N 1 0 367.471 2.389 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000467545379 560912258 /nfs/dbraw/zinc/91/22/58/560912258.db2.gz BXKFPTBAFSUFHP-GOSISDBHSA-N 1 0 366.414 2.395 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000471564053 561007373 /nfs/dbraw/zinc/00/73/73/561007373.db2.gz REDJOOQULCUYOL-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO CC1(C)CC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000472569169 561029499 /nfs/dbraw/zinc/02/94/99/561029499.db2.gz YEMLXMOCDXULJA-UHFFFAOYSA-N 1 0 366.393 2.098 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472628789 561031516 /nfs/dbraw/zinc/03/15/16/561031516.db2.gz JTUZZHJKRVVYOK-CQSZACIVSA-N 1 0 366.393 2.053 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000472633915 561031531 /nfs/dbraw/zinc/03/15/31/561031531.db2.gz UPNYVRWNBVMJIL-UXEPBGEESA-N 1 0 351.403 2.071 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000473990730 561062967 /nfs/dbraw/zinc/06/29/67/561062967.db2.gz AKPISTJTQIUOJJ-ZFWWWQNUSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000473995513 561063233 /nfs/dbraw/zinc/06/32/33/561063233.db2.gz NGWFVFXAHDGQBY-UHFFFAOYSA-N 1 0 356.378 2.404 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000474348080 561071841 /nfs/dbraw/zinc/07/18/41/561071841.db2.gz SZENVEFOVPSSNE-AWEZNQCLSA-N 1 0 374.397 2.047 20 5 FEBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)CC1 ZINC000476653299 561125315 /nfs/dbraw/zinc/12/53/15/561125315.db2.gz CWHGZZRVYCSMSO-UHFFFAOYSA-N 1 0 372.429 2.111 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530811481 562424522 /nfs/dbraw/zinc/42/45/22/562424522.db2.gz SQGFRUVSNUAVKS-HXUWFJFHSA-N 1 0 369.421 2.190 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531189948 562437709 /nfs/dbraw/zinc/43/77/09/562437709.db2.gz DCCYBTIRQPFSPX-KGLIPLIRSA-N 1 0 370.475 2.169 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]CCc3ncn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000532034995 562464735 /nfs/dbraw/zinc/46/47/35/562464735.db2.gz DUMORJYCIREKSY-UHFFFAOYSA-N 1 0 357.370 2.324 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000532563311 562481497 /nfs/dbraw/zinc/48/14/97/562481497.db2.gz OPBZJWXGABVLFQ-DOMZBBRYSA-N 1 0 373.409 2.412 20 5 FEBDRO Cc1c(CC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000533040296 562496431 /nfs/dbraw/zinc/49/64/31/562496431.db2.gz OVJRCUBUIFRNEY-UHFFFAOYSA-N 1 0 369.425 2.231 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000533303639 562504591 /nfs/dbraw/zinc/50/45/91/562504591.db2.gz KEXIZQBQIXRKDS-HNNXBMFYSA-N 1 0 362.430 2.101 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535433470 562558584 /nfs/dbraw/zinc/55/85/84/562558584.db2.gz OXZQHMZZLKOXGP-UHFFFAOYSA-N 1 0 371.441 2.306 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000536854535 562581577 /nfs/dbraw/zinc/58/15/77/562581577.db2.gz YLUVQEYFTZSOMQ-DDUZABMNSA-N 1 0 363.414 2.240 20 5 FEBDRO COC(=O)c1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000536995812 562583879 /nfs/dbraw/zinc/58/38/79/562583879.db2.gz KVIUYMTZYPRQAD-ZIAGYGMSSA-N 1 0 353.444 2.172 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000568149268 567947173 /nfs/dbraw/zinc/94/71/73/567947173.db2.gz HAZRAOSJXXHVOY-CYBMUJFWSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@@]1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000569245161 568318940 /nfs/dbraw/zinc/31/89/40/568318940.db2.gz DNEMXOHVUOJTDE-LJQANCHMSA-N 1 0 360.458 2.317 20 5 FEBDRO C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000570689381 568494534 /nfs/dbraw/zinc/49/45/34/568494534.db2.gz RQNIIGLXOICIPY-WFASDCNBSA-N 1 0 360.380 2.424 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736457961 598500341 /nfs/dbraw/zinc/50/03/41/598500341.db2.gz SQJCCNAFEXYSNK-GFCCVEGCSA-N 1 0 360.422 2.236 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000808355588 674456286 /nfs/dbraw/zinc/45/62/86/674456286.db2.gz LUMHHECXGWFQRJ-LBPRGKRZSA-N 1 0 361.439 2.441 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000826498640 607449190 /nfs/dbraw/zinc/44/91/90/607449190.db2.gz DEDXBWLITKXNSZ-UHFFFAOYSA-N 1 0 365.397 2.097 20 5 FEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809824321 674513199 /nfs/dbraw/zinc/51/31/99/674513199.db2.gz OADIKYGUFLRZKD-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO O=[N+]([O-])c1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nn[nH]n1 ZINC000823635100 606644648 /nfs/dbraw/zinc/64/46/48/606644648.db2.gz RLRHCZRARCVRMI-UHFFFAOYSA-N 1 0 365.397 2.097 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820710929 606706262 /nfs/dbraw/zinc/70/62/62/606706262.db2.gz SZETYOWSUJEZDB-LLVKDONJSA-N 1 0 360.422 2.092 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568808 608470206 /nfs/dbraw/zinc/47/02/06/608470206.db2.gz DCPNWJULRTZVKI-BDJLRTHQSA-N 1 0 354.370 2.159 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000560583256 674600855 /nfs/dbraw/zinc/60/08/55/674600855.db2.gz WPDOVEBFVSBXIL-ZFWWWQNUSA-N 1 0 355.460 2.368 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000561733481 674694514 /nfs/dbraw/zinc/69/45/14/674694514.db2.gz UQEIGRHNWUKOJY-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813510054 674754020 /nfs/dbraw/zinc/75/40/20/674754020.db2.gz NJUPFUKLUAKMTB-UHFFFAOYSA-N 1 0 350.202 2.210 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000563436431 674888076 /nfs/dbraw/zinc/88/80/76/674888076.db2.gz KVTONXDEWDXVMK-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814973730 674890994 /nfs/dbraw/zinc/89/09/94/674890994.db2.gz VXEFWYHVHVWUJF-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000815559296 674959426 /nfs/dbraw/zinc/95/94/26/674959426.db2.gz CSHVJCBXWUTKAQ-LBPRGKRZSA-N 1 0 370.475 2.032 20 5 FEBDRO Cc1csc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001048608126 675012040 /nfs/dbraw/zinc/01/20/40/675012040.db2.gz VFFOPRQGVCXOTJ-KBUPBQIOSA-N 1 0 366.487 2.129 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000564975338 675083859 /nfs/dbraw/zinc/08/38/59/675083859.db2.gz LRSRVMMCDQMODY-YOEHRIQHSA-N 1 0 370.471 2.289 20 5 FEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000573834075 671170643 /nfs/dbraw/zinc/17/06/43/671170643.db2.gz LOOXSUKKAOZZQN-BFYDXBDKSA-N 1 0 351.447 2.045 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000566068340 675177503 /nfs/dbraw/zinc/17/75/03/675177503.db2.gz DIBORBWKKKDKPC-UHFFFAOYSA-N 1 0 371.459 2.133 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)C2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000574036629 671195052 /nfs/dbraw/zinc/19/50/52/671195052.db2.gz SGQIEKKIFPZCCE-UHFFFAOYSA-N 1 0 355.460 2.262 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566112255 675181993 /nfs/dbraw/zinc/18/19/93/675181993.db2.gz LTBKTBRSQMFSEF-MPGHIAIKSA-N 1 0 352.431 2.375 20 5 FEBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC1CC1 ZINC000566120805 675183531 /nfs/dbraw/zinc/18/35/31/675183531.db2.gz PTTSFEYRZYUKSO-UHFFFAOYSA-N 1 0 356.444 2.163 20 5 FEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000575089323 671297729 /nfs/dbraw/zinc/29/77/29/671297729.db2.gz CIPVSVZHZLLUQI-OWCLPIDISA-N 1 0 351.447 2.187 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000575401318 671312224 /nfs/dbraw/zinc/31/22/24/671312224.db2.gz SMSOADXCGJSGAX-HZPDHXFCSA-N 1 0 367.471 2.452 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000576943007 671406201 /nfs/dbraw/zinc/40/62/01/671406201.db2.gz WHMMFVIGNHTFCP-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269188 675916221 /nfs/dbraw/zinc/91/62/21/675916221.db2.gz MRAHZVQRRPHLGE-ZIAGYGMSSA-N 1 0 367.471 2.302 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000609441063 675922219 /nfs/dbraw/zinc/92/22/19/675922219.db2.gz BWJGYRHRYSFNFW-INIZCTEOSA-N 1 0 351.378 2.061 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000609673382 675932009 /nfs/dbraw/zinc/93/20/09/675932009.db2.gz DFXYPQLVFALPNY-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000579344948 671728728 /nfs/dbraw/zinc/72/87/28/671728728.db2.gz QQUSSLUMEQXGJO-LSDHHAIUSA-N 1 0 350.415 2.273 20 5 FEBDRO C[C@@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@@H](C)O1 ZINC000580047715 671778904 /nfs/dbraw/zinc/77/89/04/671778904.db2.gz OFZCTMRIPPYYPY-CHWSQXEVSA-N 1 0 352.410 2.455 20 5 FEBDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000580555387 671817922 /nfs/dbraw/zinc/81/79/22/671817922.db2.gz PCJHVALKKSNZDD-IAGOWNOFSA-N 1 0 368.455 2.163 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000120196283 671919254 /nfs/dbraw/zinc/91/92/54/671919254.db2.gz MFCYMJKIVUTSDP-ZDUSSCGKSA-N 1 0 373.450 2.380 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000610135394 675956211 /nfs/dbraw/zinc/95/62/11/675956211.db2.gz RCWVQNIBOYHXMA-KBPBESRZSA-N 1 0 355.460 2.397 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000581724883 671930263 /nfs/dbraw/zinc/93/02/63/671930263.db2.gz FOUVQBDCCIMCFF-ZDUSSCGKSA-N 1 0 363.805 2.299 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000123018082 671973976 /nfs/dbraw/zinc/97/39/76/671973976.db2.gz VHKRAWPXNTZBNR-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)c1 ZINC000610335328 675966824 /nfs/dbraw/zinc/96/68/24/675966824.db2.gz DRFGSRVGLSIQDZ-CQSZACIVSA-N 1 0 358.320 2.003 20 5 FEBDRO COc1cc(C[NH2+]CC2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000610468009 675973592 /nfs/dbraw/zinc/97/35/92/675973592.db2.gz CARMDIFQMAJVJV-UHFFFAOYSA-N 1 0 364.320 2.407 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583430033 672094008 /nfs/dbraw/zinc/09/40/08/672094008.db2.gz GGNOGRGWXUMZHC-UHFFFAOYSA-N 1 0 350.419 2.005 20 5 FEBDRO COC1CC[NH+](CCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610573051 675981888 /nfs/dbraw/zinc/98/18/88/675981888.db2.gz PFFYBEXZDVNION-ZDUSSCGKSA-N 1 0 367.471 2.302 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000610576948 675982561 /nfs/dbraw/zinc/98/25/61/675982561.db2.gz KTXNENACXDVCLG-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cc(F)ccc2F)c1 ZINC000584167985 672162178 /nfs/dbraw/zinc/16/21/78/672162178.db2.gz OBTAAVLQXSYGQR-HNNXBMFYSA-N 1 0 352.337 2.445 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000584165912 672162224 /nfs/dbraw/zinc/16/22/24/672162224.db2.gz RJTBZJIJEOZLRU-CYBMUJFWSA-N 1 0 367.471 2.398 20 5 FEBDRO Cc1csc([C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000584586473 672202342 /nfs/dbraw/zinc/20/23/42/672202342.db2.gz BJDJLOZYZPONQS-DGCLKSJQSA-N 1 0 351.428 2.493 20 5 FEBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174837389 672363815 /nfs/dbraw/zinc/36/38/15/672363815.db2.gz QANRXFYPUWZFND-HNNXBMFYSA-N 1 0 351.451 2.200 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000176076461 672372840 /nfs/dbraw/zinc/37/28/40/672372840.db2.gz MZMDXJHGDGTQFP-ZDUSSCGKSA-N 1 0 350.375 2.368 20 5 FEBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000178932636 672397295 /nfs/dbraw/zinc/39/72/95/672397295.db2.gz PYUYWLVSEFWWLG-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000588821007 672484163 /nfs/dbraw/zinc/48/41/63/672484163.db2.gz ULLSXUHRNINQMO-LSDHHAIUSA-N 1 0 351.451 2.299 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000589938573 672549367 /nfs/dbraw/zinc/54/93/67/672549367.db2.gz WBKKPXJNSFLAOY-TVQRCGJNSA-N 1 0 350.293 2.245 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045371 672555970 /nfs/dbraw/zinc/55/59/70/672555970.db2.gz QEHKSHNBZMFHDX-HZMBPMFUSA-N 1 0 368.231 2.442 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045375 672556033 /nfs/dbraw/zinc/55/60/33/672556033.db2.gz QEHKSHNBZMFHDX-IINYFYTJSA-N 1 0 368.231 2.442 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590267 672593280 /nfs/dbraw/zinc/59/32/80/672593280.db2.gz BEFBKFOLRNWHPF-UHFFFAOYSA-N 1 0 373.450 2.395 20 5 FEBDRO CN(C)C(=O)N[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590764168 672614981 /nfs/dbraw/zinc/61/49/81/672614981.db2.gz BKNYPKZCAKZWHS-CQSZACIVSA-N 1 0 350.419 2.099 20 5 FEBDRO C[N@H+](CCCOC(C)(C)C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477972 672685287 /nfs/dbraw/zinc/68/52/87/672685287.db2.gz PUNSYEBOKXTNBN-UHFFFAOYSA-N 1 0 373.475 2.010 20 5 FEBDRO CC1CC[NH+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194341405 672757031 /nfs/dbraw/zinc/75/70/31/672757031.db2.gz VPPRZXYVRLNFTC-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3cccc(Cl)c3)CCC2)c1 ZINC000592183470 672768416 /nfs/dbraw/zinc/76/84/16/672768416.db2.gz JEVDLIPDLBARLP-HNNXBMFYSA-N 1 0 350.806 2.475 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592242915 672776055 /nfs/dbraw/zinc/77/60/55/672776055.db2.gz AOMMCTDIABUYLC-JOYOIKCWSA-N 1 0 354.204 2.181 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592241828 672776230 /nfs/dbraw/zinc/77/62/30/672776230.db2.gz JYSDHIICTFRQIP-GFCCVEGCSA-N 1 0 356.220 2.427 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592391151 672796788 /nfs/dbraw/zinc/79/67/88/672796788.db2.gz XORBIYHBVZHUDR-GJZGRUSLSA-N 1 0 367.471 2.304 20 5 FEBDRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592471213 672807125 /nfs/dbraw/zinc/80/71/25/672807125.db2.gz LCEDJLKJTHWDHG-UHFFFAOYSA-N 1 0 352.822 2.403 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC000593071094 672872164 /nfs/dbraw/zinc/87/21/64/672872164.db2.gz ZTPOCKXIGXQEDV-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[N@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593627255 672962196 /nfs/dbraw/zinc/96/21/96/672962196.db2.gz OVJZITSASDTHEO-UHFFFAOYSA-N 1 0 370.475 2.313 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000593913907 673007879 /nfs/dbraw/zinc/00/78/79/673007879.db2.gz YLRFFBJZIKANMH-SGIREYDYSA-N 1 0 351.378 2.092 20 5 FEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594043871 673024587 /nfs/dbraw/zinc/02/45/87/673024587.db2.gz PBBFPQPGPVEEQK-ZFWWWQNUSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000594198717 673043239 /nfs/dbraw/zinc/04/32/39/673043239.db2.gz VIZVKSPSZAUUCI-KBPBESRZSA-N 1 0 351.378 2.489 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000594390338 673066660 /nfs/dbraw/zinc/06/66/60/673066660.db2.gz VIXLXABTCMZNOL-UHFFFAOYSA-N 1 0 351.451 2.131 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484380 673088356 /nfs/dbraw/zinc/08/83/56/673088356.db2.gz QLFMGHWUWJVFQD-DZGCQCFKSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594745054 673127463 /nfs/dbraw/zinc/12/74/63/673127463.db2.gz SYFAKRMCIQELTK-UHFFFAOYSA-N 1 0 366.443 2.153 20 5 FEBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959474 673181144 /nfs/dbraw/zinc/18/11/44/673181144.db2.gz DKPJEQGGWKLWEZ-FPJCUDJDSA-N 1 0 354.428 2.145 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595115494 673195928 /nfs/dbraw/zinc/19/59/28/673195928.db2.gz GKMUFESLTYUKAA-ZDUSSCGKSA-N 1 0 371.434 2.134 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000595345161 673228503 /nfs/dbraw/zinc/22/85/03/673228503.db2.gz NHWPKJBJENKMTF-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1C ZINC000595345401 673228600 /nfs/dbraw/zinc/22/86/00/673228600.db2.gz OBDMZQFRDGUHOE-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1 ZINC000595346744 673228807 /nfs/dbraw/zinc/22/88/07/673228807.db2.gz VSLCOKDLXMMSRU-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595345961 673228871 /nfs/dbraw/zinc/22/88/71/673228871.db2.gz REJZMVUMEGRCIA-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000462887046 673287576 /nfs/dbraw/zinc/28/75/76/673287576.db2.gz HXOKKBJKTAZHGL-GXTWGEPZSA-N 1 0 368.231 2.475 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1cn3c(n1)SCC3)OCCO2 ZINC000613424055 676128517 /nfs/dbraw/zinc/12/85/17/676128517.db2.gz XEOFWQRLFPHBLL-UHFFFAOYSA-N 1 0 362.411 2.001 20 5 FEBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000731757404 673342438 /nfs/dbraw/zinc/34/24/38/673342438.db2.gz YEDZHWQWISLAPU-CQSZACIVSA-N 1 0 350.419 2.147 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000596074340 673356365 /nfs/dbraw/zinc/35/63/65/673356365.db2.gz RKMKFBCQMLUDMG-OAHLLOKOSA-N 1 0 370.475 2.165 20 5 FEBDRO NC(=O)c1cc(N2CC[NH+](CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000596085462 673357265 /nfs/dbraw/zinc/35/72/65/673357265.db2.gz GUSMUUSLGCALNS-UHFFFAOYSA-N 1 0 360.439 2.120 20 5 FEBDRO O=c1[nH]ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000596132223 673361944 /nfs/dbraw/zinc/36/19/44/673361944.db2.gz VCDBQHAKZOPTAD-SECBINFHSA-N 1 0 362.415 2.240 20 5 FEBDRO COC(=O)c1cc(NCCN2C[C@H](C)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427248 673384388 /nfs/dbraw/zinc/38/43/88/673384388.db2.gz DNJPWJIUWPSUSO-OLZOCXBDSA-N 1 0 351.403 2.211 20 5 FEBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477252 673388476 /nfs/dbraw/zinc/38/84/76/673388476.db2.gz IFUONBXWXIKHBC-GFCCVEGCSA-N 1 0 368.459 2.061 20 5 FEBDRO Nc1c(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091752 673446069 /nfs/dbraw/zinc/44/60/69/673446069.db2.gz CUBILPXOJBCOOG-LLVKDONJSA-N 1 0 353.810 2.436 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000539041745 673471379 /nfs/dbraw/zinc/47/13/79/673471379.db2.gz QNGLUPSOAMOBCD-LBPRGKRZSA-N 1 0 373.475 2.362 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000597697208 673500342 /nfs/dbraw/zinc/50/03/42/673500342.db2.gz DSAZLXBDXSNOSH-DOMZBBRYSA-N 1 0 367.471 2.498 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000597700951 673500809 /nfs/dbraw/zinc/50/08/09/673500809.db2.gz PGVNNJDAYWFMJQ-TZMCWYRMSA-N 1 0 367.471 2.388 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000539809805 673507497 /nfs/dbraw/zinc/50/74/97/673507497.db2.gz HIPWASUGCINTSS-GFCCVEGCSA-N 1 0 354.838 2.432 20 5 FEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000540021654 673519894 /nfs/dbraw/zinc/51/98/94/673519894.db2.gz VGPOVCREMNAHTG-WDEREUQCSA-N 1 0 370.247 2.451 20 5 FEBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000598536232 673579941 /nfs/dbraw/zinc/57/99/41/673579941.db2.gz PFWBANJMHYKFAV-ZDUSSCGKSA-N 1 0 353.444 2.372 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000598541258 673580731 /nfs/dbraw/zinc/58/07/31/673580731.db2.gz HWHKPJOTRSTPPP-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000598541256 673580733 /nfs/dbraw/zinc/58/07/33/673580733.db2.gz HWHKPJOTRSTPPP-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598572014 673584985 /nfs/dbraw/zinc/58/49/85/673584985.db2.gz JYSDHIICTFRQIP-LBPRGKRZSA-N 1 0 356.220 2.427 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598600124 673588124 /nfs/dbraw/zinc/58/81/24/673588124.db2.gz NSXUXEHUHJKTAT-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598616877 673591119 /nfs/dbraw/zinc/59/11/19/673591119.db2.gz FNDZMHBLIRPMPA-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542749332 673601895 /nfs/dbraw/zinc/60/18/95/673601895.db2.gz DOTZTECRWYKSLE-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714913 673602567 /nfs/dbraw/zinc/60/25/67/673602567.db2.gz KFYCLMXEORKFTN-SMDDNHRTSA-N 1 0 355.460 2.350 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598717129 673602882 /nfs/dbraw/zinc/60/28/82/673602882.db2.gz XSIOHTUFAONGSB-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(C)c1[N+](=O)[O-] ZINC000598715956 673602911 /nfs/dbraw/zinc/60/29/11/673602911.db2.gz WAZUJDFTHQEZPJ-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3nccc(Br)c3C2)n1 ZINC000598945483 673623950 /nfs/dbraw/zinc/62/39/50/673623950.db2.gz JDCXLLLMYGXGIO-UHFFFAOYSA-N 1 0 352.192 2.007 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000599007657 673628177 /nfs/dbraw/zinc/62/81/77/673628177.db2.gz SAKTYRATNADEEJ-WVSHTKLVSA-N 1 0 362.167 2.060 20 5 FEBDRO CN(CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599095061 673632700 /nfs/dbraw/zinc/63/27/00/673632700.db2.gz PMBHHTNRJDDRAM-HNNXBMFYSA-N 1 0 353.373 2.204 20 5 FEBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106543 673633700 /nfs/dbraw/zinc/63/37/00/673633700.db2.gz VEVPHYPNOWWLEN-IUCAKERBSA-N 1 0 367.349 2.032 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000543248156 673635940 /nfs/dbraw/zinc/63/59/40/673635940.db2.gz RRAIMZRUZLNNJN-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)cc1 ZINC000599302222 673655888 /nfs/dbraw/zinc/65/58/88/673655888.db2.gz AWZPTVUUYBRASA-OAHLLOKOSA-N 1 0 350.415 2.104 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000543741834 673667425 /nfs/dbraw/zinc/66/74/25/673667425.db2.gz FJDMABPUBWINQQ-UHFFFAOYSA-N 1 0 350.419 2.005 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414187 673672245 /nfs/dbraw/zinc/67/22/45/673672245.db2.gz ABAITKIFSVYMGN-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000543838864 673673753 /nfs/dbraw/zinc/67/37/53/673673753.db2.gz HGKQHBXVTASGLM-OAHLLOKOSA-N 1 0 351.403 2.073 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625080 673698863 /nfs/dbraw/zinc/69/88/63/673698863.db2.gz LHIXCMIYKPYVGK-RHPZDQPFSA-N 1 0 351.403 2.334 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625075 673698867 /nfs/dbraw/zinc/69/88/67/673698867.db2.gz LHIXCMIYKPYVGK-JJHQXXDFSA-N 1 0 351.403 2.334 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599632326 673700088 /nfs/dbraw/zinc/70/00/88/673700088.db2.gz ZRWUWRXZCYGRLG-PJGQNWHFSA-N 1 0 365.455 2.217 20 5 FEBDRO CC[C@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544598005 673719782 /nfs/dbraw/zinc/71/97/82/673719782.db2.gz UBRVPVYHXXPNNZ-ZFWWWQNUSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1nnc([C@@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000546101999 673792104 /nfs/dbraw/zinc/79/21/04/673792104.db2.gz KMWNCMMEJVMDML-SECBINFHSA-N 1 0 363.399 2.404 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000600761911 673797440 /nfs/dbraw/zinc/79/74/40/673797440.db2.gz TYXUBQPFBUZRQN-GOEBONIOSA-N 1 0 350.806 2.473 20 5 FEBDRO CC(C)C[C@H](Nc1ncc([N+](=O)[O-])s1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000601192289 673831968 /nfs/dbraw/zinc/83/19/68/673831968.db2.gz UHPPEUDQNRKNAO-RYUDHWBXSA-N 1 0 355.464 2.040 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601351444 673846584 /nfs/dbraw/zinc/84/65/84/673846584.db2.gz HIWPTWFLFNWLJR-CMPLNLGQSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601352442 673846826 /nfs/dbraw/zinc/84/68/26/673846826.db2.gz VBCOBCUWVCVJLZ-RISCZKNCSA-N 1 0 373.862 2.319 20 5 FEBDRO CC[C@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000601365203 673848933 /nfs/dbraw/zinc/84/89/33/673848933.db2.gz RXKFWJBPZSEBID-INIZCTEOSA-N 1 0 355.460 2.451 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414587 673858393 /nfs/dbraw/zinc/85/83/93/673858393.db2.gz BCUFDCKWEIININ-OCCSQVGLSA-N 1 0 371.434 2.290 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000601503106 673872172 /nfs/dbraw/zinc/87/21/72/673872172.db2.gz XRGNOPHESPOSSB-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000602491463 673907024 /nfs/dbraw/zinc/90/70/24/673907024.db2.gz HMXFUSUFFOMRQR-MWLCHTKSSA-N 1 0 354.204 2.181 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528004 673907324 /nfs/dbraw/zinc/90/73/24/673907324.db2.gz AHMAVMWNDPGRCC-HZMBPMFUSA-N 1 0 353.806 2.416 20 5 FEBDRO COc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602541866 673907648 /nfs/dbraw/zinc/90/76/48/673907648.db2.gz RITFLJLPXVMDHT-WDEREUQCSA-N 1 0 361.320 2.203 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576909 673908340 /nfs/dbraw/zinc/90/83/40/673908340.db2.gz LSNJDVJYYYADPG-SCZZXKLOSA-N 1 0 362.249 2.423 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC(F)(F)[C@@H]3O)CC2)cn1 ZINC000602692479 673909539 /nfs/dbraw/zinc/90/95/39/673909539.db2.gz IJLNSMBCTGFRNM-DZGCQCFKSA-N 1 0 356.373 2.097 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000602889783 673912740 /nfs/dbraw/zinc/91/27/40/673912740.db2.gz VMQVGTKWCTWPRM-RRFJBIMHSA-N 1 0 350.419 2.153 20 5 FEBDRO COC(=O)CC1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000548426877 673957754 /nfs/dbraw/zinc/95/77/54/673957754.db2.gz YCIZHBDFAUOHCI-UHFFFAOYSA-N 1 0 352.387 2.448 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)c1 ZINC000819176702 675266717 /nfs/dbraw/zinc/26/67/17/675266717.db2.gz MJXVYNDKTKCGOR-ZDUSSCGKSA-N 1 0 373.182 2.016 20 5 FEBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587955 675304465 /nfs/dbraw/zinc/30/44/65/675304465.db2.gz DKYDAFWEIMBHGK-GZMMTYOYSA-N 1 0 362.167 2.466 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000567609640 675306100 /nfs/dbraw/zinc/30/61/00/675306100.db2.gz UUTABJUZXVUNJC-CQSZACIVSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000567700070 675314085 /nfs/dbraw/zinc/31/40/85/675314085.db2.gz DTWCKDAPYDVLKC-CYBMUJFWSA-N 1 0 352.337 2.445 20 5 FEBDRO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000824926671 675629256 /nfs/dbraw/zinc/62/92/56/675629256.db2.gz QETLCZDPONRPKB-TXEJJXNPSA-N 1 0 372.263 2.244 20 5 FEBDRO [NH3+][C@H](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000825978848 675676227 /nfs/dbraw/zinc/67/62/27/675676227.db2.gz BMRRCSPMPFGIPN-LLVKDONJSA-N 1 0 360.336 2.269 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1F ZINC000826573059 675693168 /nfs/dbraw/zinc/69/31/68/675693168.db2.gz ZZZQIBUBVSGEFN-UHFFFAOYSA-N 1 0 351.378 2.109 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827288897 675745670 /nfs/dbraw/zinc/74/56/70/675745670.db2.gz PUKUNNBOAIMPFG-NWDGAFQWSA-N 1 0 355.341 2.362 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000827445366 675756457 /nfs/dbraw/zinc/75/64/57/675756457.db2.gz MVJXTXPDTHLGSM-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000829583382 675884095 /nfs/dbraw/zinc/88/40/95/675884095.db2.gz BQBKEONEZNXOBQ-UHFFFAOYSA-N 1 0 351.451 2.251 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000619566072 676385218 /nfs/dbraw/zinc/38/52/18/676385218.db2.gz ZQYOKJLCMJESLS-QGZVFWFLSA-N 1 0 363.439 2.338 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1Cl ZINC000761520721 680725834 /nfs/dbraw/zinc/72/58/34/680725834.db2.gz DWTBTERVFZHOOJ-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000839434036 680752768 /nfs/dbraw/zinc/75/27/68/680752768.db2.gz SLKXPJKWGYDZGP-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839485262 680755596 /nfs/dbraw/zinc/75/55/96/680755596.db2.gz OZVTVADJLKPGBJ-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839498443 680757093 /nfs/dbraw/zinc/75/70/93/680757093.db2.gz PGOIAKQQOMEKRS-ZDUSSCGKSA-N 1 0 372.263 2.246 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000765799005 680855806 /nfs/dbraw/zinc/85/58/06/680855806.db2.gz WWJVGORZRAKECV-CABZTGNLSA-N 1 0 356.220 2.362 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841069666 680861653 /nfs/dbraw/zinc/86/16/53/680861653.db2.gz BWYCGFOTWPKJKO-ZDUSSCGKSA-N 1 0 366.771 2.174 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748843920 680000035 /nfs/dbraw/zinc/00/00/35/680000035.db2.gz IVUXQHGQIADNGA-LBPRGKRZSA-N 1 0 350.375 2.272 20 5 FEBDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827620 680273775 /nfs/dbraw/zinc/27/37/75/680273775.db2.gz KPXAPFMSLVKQCO-AAEUAGOBSA-N 1 0 361.423 2.399 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC12CCOCC2 ZINC000834853295 680277717 /nfs/dbraw/zinc/27/77/17/680277717.db2.gz GXPNJPLVJSUNNQ-NSHDSACASA-N 1 0 353.806 2.076 20 5 FEBDRO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000755014792 680394396 /nfs/dbraw/zinc/39/43/96/680394396.db2.gz DLAYXGVLXQPMDJ-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000755776901 680435326 /nfs/dbraw/zinc/43/53/26/680435326.db2.gz AGYDLMUNGYJLON-AWEZNQCLSA-N 1 0 352.387 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774234 680666917 /nfs/dbraw/zinc/66/69/17/680666917.db2.gz KTJNMWUPQMFYKF-WCQYABFASA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000842483307 680950249 /nfs/dbraw/zinc/95/02/49/680950249.db2.gz IPFPIMZFRNRLTB-ZDUSSCGKSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000846230665 681205361 /nfs/dbraw/zinc/20/53/61/681205361.db2.gz MQVLIIGUIGLNAR-NHYWBVRUSA-N 1 0 373.862 2.306 20 5 FEBDRO CNC(=O)CCC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895453 681304422 /nfs/dbraw/zinc/30/44/22/681304422.db2.gz OKEGZOQLSBMZPO-UHFFFAOYSA-N 1 0 356.220 2.242 20 5 FEBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000775820574 681339301 /nfs/dbraw/zinc/33/93/01/681339301.db2.gz WCFVYCWAVSRTJJ-ZIAGYGMSSA-N 1 0 351.403 2.430 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1 ZINC000933056103 681355592 /nfs/dbraw/zinc/35/55/92/681355592.db2.gz OFOGUIGAJGQRKT-INIZCTEOSA-N 1 0 350.415 2.370 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000934223282 681528029 /nfs/dbraw/zinc/52/80/29/681528029.db2.gz SVSDWZUNZLTQTB-CYBMUJFWSA-N 1 0 365.455 2.111 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848509025 681566605 /nfs/dbraw/zinc/56/66/05/681566605.db2.gz RJAXNFMHXKLWAI-UONOGXRCSA-N 1 0 371.434 2.338 20 5 FEBDRO CS[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000778402989 681608369 /nfs/dbraw/zinc/60/83/69/681608369.db2.gz MCLJCINCSQIGTF-CHWSQXEVSA-N 1 0 359.398 2.191 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000848792665 681621733 /nfs/dbraw/zinc/62/17/33/681621733.db2.gz AHMIDSJFBNJLKS-ZDUSSCGKSA-N 1 0 353.394 2.434 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c1 ZINC000779905621 681769705 /nfs/dbraw/zinc/76/97/05/681769705.db2.gz XNSXEJXZJDGING-JTQLQIEISA-N 1 0 361.851 2.177 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000780715351 681864462 /nfs/dbraw/zinc/86/44/62/681864462.db2.gz JRMAVTBONAJIKC-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[S@](=O)CC(F)(F)F)n1 ZINC000850496672 681908495 /nfs/dbraw/zinc/90/84/95/681908495.db2.gz PYASJDPJWMETPG-XNZGRGRPSA-N 1 0 368.381 2.176 20 5 FEBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c(F)c1F ZINC000916073795 685520992 /nfs/dbraw/zinc/52/09/92/685520992.db2.gz XDPUSYCNFVMYQE-AWEZNQCLSA-N 1 0 362.354 2.068 20 5 FEBDRO O=C(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1 ZINC000916570503 685525600 /nfs/dbraw/zinc/52/56/00/685525600.db2.gz GRCCMYVXHRUWRK-HNNXBMFYSA-N 1 0 351.309 2.135 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917908865 685535620 /nfs/dbraw/zinc/53/56/20/685535620.db2.gz KDYDLMFIRHVIMY-RYUDHWBXSA-N 1 0 359.835 2.153 20 5 FEBDRO C[NH+](C)CC1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000854724303 682585967 /nfs/dbraw/zinc/58/59/67/682585967.db2.gz PHRJYXWRQZYLJY-UHFFFAOYSA-N 1 0 360.183 2.130 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855346246 682659840 /nfs/dbraw/zinc/65/98/40/682659840.db2.gz SXYCQJWEUPNDCG-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856431621 682781201 /nfs/dbraw/zinc/78/12/01/682781201.db2.gz UEWYMTVZXVYBPV-CYBMUJFWSA-N 1 0 353.394 2.225 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000795095105 683017408 /nfs/dbraw/zinc/01/74/08/683017408.db2.gz BQYRWHPWZHNNLM-HNNXBMFYSA-N 1 0 350.488 2.428 20 5 FEBDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150119 683083128 /nfs/dbraw/zinc/08/31/28/683083128.db2.gz GRTCUMANYVLPGI-CVEARBPZSA-N 1 0 356.444 2.019 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000796509425 683166944 /nfs/dbraw/zinc/16/69/44/683166944.db2.gz DTRLBEMAEHDKRV-CYBMUJFWSA-N 1 0 361.851 2.152 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227963 683325525 /nfs/dbraw/zinc/32/55/25/683325525.db2.gz BKSPMPNCOGZLSN-VIFPVBQESA-N 1 0 367.830 2.396 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928446091 683453355 /nfs/dbraw/zinc/45/33/55/683453355.db2.gz VDHVHERKRCQDQE-BXUZGUMPSA-N 1 0 353.444 2.156 20 5 FEBDRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929925401 683657250 /nfs/dbraw/zinc/65/72/50/683657250.db2.gz AHBQFRQUAUPBIU-UHFFFAOYSA-N 1 0 356.220 2.376 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922862537 683794326 /nfs/dbraw/zinc/79/43/26/683794326.db2.gz VRPOREVCLPOAAA-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO CN1CC[NH+](C2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)CC1 ZINC000866214852 684083522 /nfs/dbraw/zinc/08/35/22/684083522.db2.gz RYZLOVPGGBVGIY-UHFFFAOYSA-N 1 0 361.471 2.421 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866820330 684160752 /nfs/dbraw/zinc/16/07/52/684160752.db2.gz QBHTWWRANCJMIP-JQWIXIFHSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000866854767 684167949 /nfs/dbraw/zinc/16/79/49/684167949.db2.gz SBVSGVBIXKVNDO-ZDUSSCGKSA-N 1 0 371.434 2.149 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308470 684243494 /nfs/dbraw/zinc/24/34/94/684243494.db2.gz KBLLXHDEZMYQSZ-GZMMTYOYSA-N 1 0 365.814 2.100 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923267782 684252569 /nfs/dbraw/zinc/25/25/69/684252569.db2.gz GRDCQTGVHBPJTR-NEPJUHHUSA-N 1 0 350.394 2.109 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000867349730 684254888 /nfs/dbraw/zinc/25/48/88/684254888.db2.gz QCFXIQROXYZLAK-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923536245 684301098 /nfs/dbraw/zinc/30/10/98/684301098.db2.gz JJKUUBNXJWYCQR-INIZCTEOSA-N 1 0 352.822 2.405 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923737172 684343266 /nfs/dbraw/zinc/34/32/66/684343266.db2.gz XKOUXORTSOXRAS-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO COC(=O)C[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000932109765 684409355 /nfs/dbraw/zinc/40/93/55/684409355.db2.gz ZESZEQOQEJZKLI-CHWSQXEVSA-N 1 0 352.387 2.113 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000872052246 684917215 /nfs/dbraw/zinc/91/72/15/684917215.db2.gz MPZHJDALYZDZMY-DGCLKSJQSA-N 1 0 373.500 2.391 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000872083036 684918530 /nfs/dbraw/zinc/91/85/30/684918530.db2.gz GGFTZDFPDQTZBL-QWRGUYRKSA-N 1 0 359.473 2.001 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872662593 684999816 /nfs/dbraw/zinc/99/98/16/684999816.db2.gz JCSDVNVIMXZIOK-CABCVRRESA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000873075553 685066096 /nfs/dbraw/zinc/06/60/96/685066096.db2.gz XJHWHEHPWXWZSI-UHFFFAOYSA-N 1 0 367.471 2.258 20 5 FEBDRO COc1cc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000873228411 685100005 /nfs/dbraw/zinc/10/00/05/685100005.db2.gz UFYJBRIYUGPFCM-GHMZBOCLSA-N 1 0 363.336 2.181 20 5 FEBDRO CC(C)(C)[S@](=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877054991 686319026 /nfs/dbraw/zinc/31/90/26/686319026.db2.gz JQEMELWPUCYHPR-XMMPIXPASA-N 1 0 354.476 2.095 20 5 FEBDRO Cn1ncc(CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)n1 ZINC000877550632 686407536 /nfs/dbraw/zinc/40/75/36/686407536.db2.gz KJXKFYVMQDJEMG-UHFFFAOYSA-N 1 0 360.237 2.270 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735595 686896977 /nfs/dbraw/zinc/89/69/77/686896977.db2.gz ZXBUTBOOXNPYCP-WMLDXEAASA-N 1 0 350.415 2.416 20 5 FEBDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136982 687004925 /nfs/dbraw/zinc/00/49/25/687004925.db2.gz VUAXSQODBMTBBT-HZPDHXFCSA-N 1 0 350.394 2.231 20 5 FEBDRO C[NH+](C)CC1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881865200 687238775 /nfs/dbraw/zinc/23/87/75/687238775.db2.gz QOFBOTVDUXMQPB-UHFFFAOYSA-N 1 0 356.220 2.315 20 5 FEBDRO CC1([NH+]2CCC2)CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000882502558 687380022 /nfs/dbraw/zinc/38/00/22/687380022.db2.gz JASOCPDPFDUHKR-UHFFFAOYSA-N 1 0 351.378 2.200 20 5 FEBDRO CC1([NH+]2CCC2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000882965180 687535548 /nfs/dbraw/zinc/53/55/48/687535548.db2.gz YTZCQBNMLOGIQV-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951475 687972720 /nfs/dbraw/zinc/97/27/20/687972720.db2.gz DZAJHFXVPBFUKW-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(S(=O)(=O)N(C)C)CC1 ZINC000886739225 688299629 /nfs/dbraw/zinc/29/96/29/688299629.db2.gz SVTCMDCVWVDUQB-LLVKDONJSA-N 1 0 373.500 2.391 20 5 FEBDRO O=C(CC[N@H+]1CC[C@](CO)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886804324 688315492 /nfs/dbraw/zinc/31/54/92/688315492.db2.gz VOVCFVISPKFLHP-AWEZNQCLSA-N 1 0 361.320 2.170 20 5 FEBDRO C[C@@H](CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000889716278 688810562 /nfs/dbraw/zinc/81/05/62/688810562.db2.gz QSMVRPHVZLGLNX-JTQLQIEISA-N 1 0 373.251 2.497 20 5 FEBDRO CS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892849933 689253117 /nfs/dbraw/zinc/25/31/17/689253117.db2.gz AEWJZRPVCSVPPG-UHFFFAOYSA-N 1 0 361.851 2.009 20 5 FEBDRO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895250053 689684637 /nfs/dbraw/zinc/68/46/37/689684637.db2.gz ZWBVSHQCFMSFQU-BZNIZROVSA-N 1 0 363.849 2.265 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)cc2N1 ZINC000895573435 689738185 /nfs/dbraw/zinc/73/81/85/689738185.db2.gz YICMMIVYCCZHAV-MLGOLLRUSA-N 1 0 362.455 2.471 20 5 FEBDRO C[C@H](C[NH2+]Cc1nc(Br)nn1C)c1ccccc1[N+](=O)[O-] ZINC000897459658 690026526 /nfs/dbraw/zinc/02/65/26/690026526.db2.gz NVJFMXUBSFNZFA-SECBINFHSA-N 1 0 354.208 2.379 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898162836 690137084 /nfs/dbraw/zinc/13/70/84/690137084.db2.gz LMWYRQLUISXYRH-FRRDWIJNSA-N 1 0 367.833 2.426 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900382608 690509635 /nfs/dbraw/zinc/50/96/35/690509635.db2.gz GXYMBVNZRCHPBO-UHFFFAOYSA-N 1 0 359.785 2.228 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1 ZINC000900596029 690536446 /nfs/dbraw/zinc/53/64/46/690536446.db2.gz ZAUMIUTYHFZVKG-SNVBAGLBSA-N 1 0 366.219 2.149 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900647922 690543062 /nfs/dbraw/zinc/54/30/62/690543062.db2.gz UVFHCXASXANKRA-UHFFFAOYSA-N 1 0 372.828 2.097 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900719353 690553038 /nfs/dbraw/zinc/55/30/38/690553038.db2.gz GTERYSAAPYVAJN-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO CO[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000903311442 690881145 /nfs/dbraw/zinc/88/11/45/690881145.db2.gz UDXXGTQDCFELCQ-MLGOLLRUSA-N 1 0 353.444 2.424 20 5 FEBDRO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000903529761 690913086 /nfs/dbraw/zinc/91/30/86/690913086.db2.gz VZKVYBNFBDDPIS-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC000903809596 690974820 /nfs/dbraw/zinc/97/48/20/690974820.db2.gz HBYCCXXWJHQFCT-UHFFFAOYSA-N 1 0 358.236 2.297 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000905360462 691108800 /nfs/dbraw/zinc/10/88/00/691108800.db2.gz RASDQYDLZGOBCT-MRXNPFEDSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)nc1Cl ZINC001164403292 718862126 /nfs/dbraw/zinc/86/21/26/718862126.db2.gz MCHJUMSGFMLQOO-ONGXEEELSA-N 1 0 362.764 2.003 20 5 FEBDRO CCOC(=O)C1CC[NH+](C2CCN(c3cccc([N+](=O)[O-])n3)CC2)CC1 ZINC001164614201 719023430 /nfs/dbraw/zinc/02/34/30/719023430.db2.gz PGXVBMPOLXQUDV-UHFFFAOYSA-N 1 0 362.430 2.234 20 5 FEBDRO CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153178891 719459238 /nfs/dbraw/zinc/45/92/38/719459238.db2.gz ABBMJOZICIDHHA-DLBZAZTESA-N 1 0 369.425 2.133 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(F)c1 ZINC001164865829 721073795 /nfs/dbraw/zinc/07/37/95/721073795.db2.gz AICZNBOWOJKWOE-JKSUJKDBSA-N 1 0 373.388 2.004 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924731 721860330 /nfs/dbraw/zinc/86/03/30/721860330.db2.gz DDRKKRMSPYDMDC-IAGOWNOFSA-N 1 0 355.442 2.358 20 5 FEBDRO O=C(OCCC[NH+]1CCCC1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000800192951 674031589 /nfs/dbraw/zinc/03/15/89/674031589.db2.gz ITQADZUQXNGBHU-UHFFFAOYSA-N 1 0 358.192 2.395 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000026490043 539788429 /nfs/dbraw/zinc/78/84/29/539788429.db2.gz LXMRYUGEUCBGJU-UHFFFAOYSA-N 1 0 364.409 2.498 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000026885457 539796731 /nfs/dbraw/zinc/79/67/31/539796731.db2.gz NDXXKWLHIJQODG-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CSc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268195 539932479 /nfs/dbraw/zinc/93/24/79/539932479.db2.gz OAWPCXBWZQXMLV-CQSZACIVSA-N 1 0 367.471 2.403 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441211 539939089 /nfs/dbraw/zinc/93/90/89/539939089.db2.gz GFXNNVCFNOZJQA-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000041442470 540022047 /nfs/dbraw/zinc/02/20/47/540022047.db2.gz SBPPWSASOMFCJQ-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000041811348 540034231 /nfs/dbraw/zinc/03/42/31/540034231.db2.gz CATYRKDLCASSPD-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047144363 540292479 /nfs/dbraw/zinc/29/24/79/540292479.db2.gz YIZPWXAJXGQZIP-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C[C@H](C)O1 ZINC000047587819 540319145 /nfs/dbraw/zinc/31/91/45/540319145.db2.gz LQUOMNMYVKWYTG-KBPBESRZSA-N 1 0 372.425 2.462 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000048845086 540374935 /nfs/dbraw/zinc/37/49/35/540374935.db2.gz GIIZMQKLJKBZOX-UHFFFAOYSA-N 1 0 372.425 2.255 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 ZINC000051764512 540443571 /nfs/dbraw/zinc/44/35/71/540443571.db2.gz MORYNYQCDSADQF-HUUCEWRRSA-N 1 0 361.442 2.443 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000076294542 542255847 /nfs/dbraw/zinc/25/58/47/542255847.db2.gz UMUSQQIOZLQFMG-KBPBESRZSA-N 1 0 363.414 2.315 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000052753739 540487715 /nfs/dbraw/zinc/48/77/15/540487715.db2.gz YINFLXIWZGWURL-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990539 540563268 /nfs/dbraw/zinc/56/32/68/540563268.db2.gz COIXLHRQLOYPFP-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)c1 ZINC000054373538 540586818 /nfs/dbraw/zinc/58/68/18/540586818.db2.gz WSKFRSIKUGLXSB-QGZVFWFLSA-N 1 0 358.398 2.498 20 5 FEBDRO Cn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000055996739 540692965 /nfs/dbraw/zinc/69/29/65/540692965.db2.gz BDPRBGPBTYMOTO-DLBZAZTESA-N 1 0 369.425 2.352 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042551 540696609 /nfs/dbraw/zinc/69/66/09/540696609.db2.gz KFFFGSZMRHPOIB-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000057039804 540764880 /nfs/dbraw/zinc/76/48/80/540764880.db2.gz HKEWHONQBHRTCA-HNNXBMFYSA-N 1 0 363.462 2.428 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000359872602 223134217 /nfs/dbraw/zinc/13/42/17/223134217.db2.gz OPYXUNYYBMUTKP-IAGOWNOFSA-N 1 0 357.410 2.294 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000062047477 541143929 /nfs/dbraw/zinc/14/39/29/541143929.db2.gz GIQZQCLZQXTPLD-HUUCEWRRSA-N 1 0 363.462 2.426 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000063530471 541171991 /nfs/dbraw/zinc/17/19/91/541171991.db2.gz KXLWTKPXJYYCDL-CYBMUJFWSA-N 1 0 363.414 2.232 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000063835143 541188194 /nfs/dbraw/zinc/18/81/94/541188194.db2.gz IZJPGQQPNNXZLO-ZDUSSCGKSA-N 1 0 365.430 2.462 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000063739017 541182599 /nfs/dbraw/zinc/18/25/99/541182599.db2.gz YAPGHVQKXQRGGM-CYBMUJFWSA-N 1 0 370.475 2.035 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000065601998 541247835 /nfs/dbraw/zinc/24/78/35/541247835.db2.gz IKQJYMSSRRAPCZ-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1 ZINC000065869252 541268190 /nfs/dbraw/zinc/26/81/90/541268190.db2.gz UUOAEXTUNANJQU-UHFFFAOYSA-N 1 0 369.425 2.183 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000066105827 541282464 /nfs/dbraw/zinc/28/24/64/541282464.db2.gz BDQGQUXOOFBGLB-LBPRGKRZSA-N 1 0 359.835 2.107 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247388584 549327082 /nfs/dbraw/zinc/32/70/82/549327082.db2.gz LXBYZKTWJKNMKA-CXAGYDPISA-N 1 0 357.414 2.193 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067150293 541425405 /nfs/dbraw/zinc/42/54/05/541425405.db2.gz GHHKJMPNXJXIAR-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000067764256 541510180 /nfs/dbraw/zinc/51/01/80/541510180.db2.gz IKQJYMSSRRAPCZ-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068305688 541574560 /nfs/dbraw/zinc/57/45/60/541574560.db2.gz ZDBBKRQHAWMABM-UONOGXRCSA-N 1 0 363.414 2.023 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069298937 541675980 /nfs/dbraw/zinc/67/59/80/541675980.db2.gz OBRGDYAAGSUEJR-AWEZNQCLSA-N 1 0 350.419 2.003 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000069474247 541688575 /nfs/dbraw/zinc/68/85/75/541688575.db2.gz XLRKYIZMCYUDOI-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531041 541694978 /nfs/dbraw/zinc/69/49/78/541694978.db2.gz OSSJIKFNYTWAOQ-DZGCQCFKSA-N 1 0 367.471 2.302 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071063401 541762043 /nfs/dbraw/zinc/76/20/43/541762043.db2.gz SDCPAZLTXIWPTD-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO Cc1ccc(NC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000072600657 541835718 /nfs/dbraw/zinc/83/57/18/541835718.db2.gz METDQEQBXONNRC-SFHVURJKSA-N 1 0 359.430 2.037 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000072716364 541855313 /nfs/dbraw/zinc/85/53/13/541855313.db2.gz KPJSCFVNKVTAKS-GFCCVEGCSA-N 1 0 359.473 2.009 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000072716881 541856805 /nfs/dbraw/zinc/85/68/05/541856805.db2.gz DACYTVHFDKDJOE-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000072898442 541891251 /nfs/dbraw/zinc/89/12/51/541891251.db2.gz SWKDNRXHFKEHKQ-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO CC(C)NC(=O)c1ccc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000072947738 541896174 /nfs/dbraw/zinc/89/61/74/541896174.db2.gz OZFZJXYBEVTJMC-UHFFFAOYSA-N 1 0 364.446 2.256 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000075632390 542193807 /nfs/dbraw/zinc/19/38/07/542193807.db2.gz XFPXREUVFCRPNV-UHFFFAOYSA-N 1 0 355.460 2.397 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075639615 542195245 /nfs/dbraw/zinc/19/52/45/542195245.db2.gz CUCLHDUFYWYMLT-UHFFFAOYSA-N 1 0 355.460 2.336 20 5 FEBDRO Cc1ccc(C[C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075676676 542198155 /nfs/dbraw/zinc/19/81/55/542198155.db2.gz FRNRQGYGWZIZDF-MJGOQNOKSA-N 1 0 358.442 2.415 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000075719857 542200579 /nfs/dbraw/zinc/20/05/79/542200579.db2.gz OADPYXSAHAIGNS-AWEZNQCLSA-N 1 0 367.471 2.437 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000075719854 542200591 /nfs/dbraw/zinc/20/05/91/542200591.db2.gz OADPYXSAHAIGNS-CQSZACIVSA-N 1 0 367.471 2.437 20 5 FEBDRO CC[C@@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000078247313 542449373 /nfs/dbraw/zinc/44/93/73/542449373.db2.gz XFFOMGFSQNCDKR-GFCCVEGCSA-N 1 0 358.464 2.035 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078455105 542461977 /nfs/dbraw/zinc/46/19/77/542461977.db2.gz LHPZHXGQKCZNSI-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000051003343 221033548 /nfs/dbraw/zinc/03/35/48/221033548.db2.gz AEPPUKWCGMJTDM-CYBMUJFWSA-N 1 0 363.414 2.200 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000081334845 542649524 /nfs/dbraw/zinc/64/95/24/542649524.db2.gz YZGPXMRACVPRAB-ZDUSSCGKSA-N 1 0 353.394 2.303 20 5 FEBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](CC4CCOCC4)CC3)nc2c1 ZINC000083199123 542693814 /nfs/dbraw/zinc/69/38/14/542693814.db2.gz WODIPTADDKYXEX-UHFFFAOYSA-N 1 0 360.414 2.280 20 5 FEBDRO Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962116 542778975 /nfs/dbraw/zinc/77/89/75/542778975.db2.gz HDLYIASZLDHPHI-ZWKOTPCHSA-N 1 0 369.421 2.268 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1CC[NH+](C)CC1 ZINC000101522437 543028371 /nfs/dbraw/zinc/02/83/71/543028371.db2.gz GLEDMLRURJMEIC-LLVKDONJSA-N 1 0 355.822 2.474 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000102489993 543072175 /nfs/dbraw/zinc/07/21/75/543072175.db2.gz CIHSKIFIGBSJHX-FZKQIMNGSA-N 1 0 365.478 2.425 20 5 FEBDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@@H](C)O1 ZINC000102648596 543075581 /nfs/dbraw/zinc/07/55/81/543075581.db2.gz QSUOGHTUGYDLNQ-CHWSQXEVSA-N 1 0 351.403 2.149 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000106929460 543256561 /nfs/dbraw/zinc/25/65/61/543256561.db2.gz KUASJBLUKIADTF-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107874087 543280323 /nfs/dbraw/zinc/28/03/23/543280323.db2.gz ZZCFQKIRVZXKQX-INIZCTEOSA-N 1 0 360.414 2.010 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406247 543289435 /nfs/dbraw/zinc/28/94/35/543289435.db2.gz JHNVHDOOGKHXHL-LLVKDONJSA-N 1 0 361.851 2.177 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110347767 543356035 /nfs/dbraw/zinc/35/60/35/543356035.db2.gz UWQKUFOUIXNSCX-AWEZNQCLSA-N 1 0 373.457 2.435 20 5 FEBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111267213 543390483 /nfs/dbraw/zinc/39/04/83/543390483.db2.gz IUWDCDGRTLMGIO-AAEUAGOBSA-N 1 0 359.386 2.164 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000112200318 543434211 /nfs/dbraw/zinc/43/42/11/543434211.db2.gz VHPQPYRUVAFSHZ-AWEZNQCLSA-N 1 0 374.441 2.028 20 5 FEBDRO C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000112275567 543438326 /nfs/dbraw/zinc/43/83/26/543438326.db2.gz OCTVICVASJPDSW-CQSZACIVSA-N 1 0 369.425 2.233 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000112925227 543469199 /nfs/dbraw/zinc/46/91/99/543469199.db2.gz JMHSQSLKNMABRB-UHFFFAOYSA-N 1 0 350.375 2.307 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000114377344 543512269 /nfs/dbraw/zinc/51/22/69/543512269.db2.gz KSXIVIISPMMOGJ-ZDUSSCGKSA-N 1 0 353.419 2.075 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000116056445 543596564 /nfs/dbraw/zinc/59/65/64/543596564.db2.gz KDIKOCZHDIRGDH-UHFFFAOYSA-N 1 0 357.414 2.012 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117341851 543629369 /nfs/dbraw/zinc/62/93/69/543629369.db2.gz XGVUIQRSNJHGHM-DZGCQCFKSA-N 1 0 360.414 2.061 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1ccccc1Cl ZINC000116922540 543619549 /nfs/dbraw/zinc/61/95/49/543619549.db2.gz OKKZMEROQNGFKK-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123135825 543744995 /nfs/dbraw/zinc/74/49/95/543744995.db2.gz YEELVTVHDYATPV-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000122634141 543715036 /nfs/dbraw/zinc/71/50/36/543715036.db2.gz WFBXUKIFHZFDAO-LBPRGKRZSA-N 1 0 355.822 2.317 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000123845936 543787201 /nfs/dbraw/zinc/78/72/01/543787201.db2.gz YXJTYIOJGULAPF-CQSZACIVSA-N 1 0 370.247 2.356 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000125129279 543863100 /nfs/dbraw/zinc/86/31/00/543863100.db2.gz HOSLSMVDKIHYDM-UHFFFAOYSA-N 1 0 355.460 2.197 20 5 FEBDRO CCOCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000127421347 543992320 /nfs/dbraw/zinc/99/23/20/543992320.db2.gz JDNPPLCOUMZBPJ-UHFFFAOYSA-N 1 0 373.457 2.149 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128737193 544069363 /nfs/dbraw/zinc/06/93/63/544069363.db2.gz KXASJWXWZGXRFT-ZDUSSCGKSA-N 1 0 369.393 2.047 20 5 FEBDRO COc1cc(OCC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000129426239 544111587 /nfs/dbraw/zinc/11/15/87/544111587.db2.gz IIWXXWCVEGYLES-UHFFFAOYSA-N 1 0 365.430 2.219 20 5 FEBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(Oc2ccncc2)c1 ZINC000129925208 544132145 /nfs/dbraw/zinc/13/21/45/544132145.db2.gz OCGDZEKKHKCCQF-UHFFFAOYSA-N 1 0 353.338 2.409 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531156 544193969 /nfs/dbraw/zinc/19/39/69/544193969.db2.gz NHMOBHMWYRHRET-BBRMVZONSA-N 1 0 371.441 2.277 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(Cc2ccccc2)CC1 ZINC000132991691 544251722 /nfs/dbraw/zinc/25/17/22/544251722.db2.gz ZPUCBODOYNEYIZ-UHFFFAOYSA-N 1 0 370.453 2.353 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000143139901 544419870 /nfs/dbraw/zinc/41/98/70/544419870.db2.gz LOLKEZFABKWFBG-QGZVFWFLSA-N 1 0 357.414 2.053 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000146823173 544442237 /nfs/dbraw/zinc/44/22/37/544442237.db2.gz CWIZSBNPUNRIPL-NWDGAFQWSA-N 1 0 359.835 2.153 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000151532260 544553680 /nfs/dbraw/zinc/55/36/80/544553680.db2.gz SLDQENVWFSRZOE-UHFFFAOYSA-N 1 0 360.336 2.284 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000151636095 544564402 /nfs/dbraw/zinc/56/44/02/544564402.db2.gz MMADNHHGBLZCEL-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151799248 544581595 /nfs/dbraw/zinc/58/15/95/544581595.db2.gz LNPUESXZVKEICH-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000152571525 544669879 /nfs/dbraw/zinc/66/98/79/544669879.db2.gz QQCRABCUBYMKJO-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1C ZINC000247525057 549350368 /nfs/dbraw/zinc/35/03/68/549350368.db2.gz OLRRIKOLSCPOKV-GDBMZVCRSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C ZINC000152883653 544706084 /nfs/dbraw/zinc/70/60/84/544706084.db2.gz KWLFVIICBURVSJ-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152916231 544710321 /nfs/dbraw/zinc/71/03/21/544710321.db2.gz SPIXQLNHFIBVCX-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000153477853 544781216 /nfs/dbraw/zinc/78/12/16/544781216.db2.gz ZILUZRBZDGBEDM-QGZVFWFLSA-N 1 0 367.471 2.375 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000154236306 544879713 /nfs/dbraw/zinc/87/97/13/544879713.db2.gz UYIZLWULNZPWNA-OAHLLOKOSA-N 1 0 351.451 2.117 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000154917270 544965189 /nfs/dbraw/zinc/96/51/89/544965189.db2.gz UTAGCGAYNLBZQU-INIZCTEOSA-N 1 0 367.471 2.232 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553058738 674235878 /nfs/dbraw/zinc/23/58/78/674235878.db2.gz LXLFWIFYPHTNAO-BETUJISGSA-N 1 0 350.419 2.760 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000553690128 674279650 /nfs/dbraw/zinc/27/96/50/674279650.db2.gz CCAMKIVILKMGRC-ZDUSSCGKSA-N 1 0 351.403 2.216 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180828325 327703483 /nfs/dbraw/zinc/70/34/83/327703483.db2.gz UECGLXKBCXDETC-OAHLLOKOSA-N 1 0 371.393 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000183669678 327829876 /nfs/dbraw/zinc/82/98/76/327829876.db2.gz BDMWTDBZMWFXOQ-INIZCTEOSA-N 1 0 359.382 2.255 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000553837751 674288479 /nfs/dbraw/zinc/28/84/79/674288479.db2.gz ZOCZRELJNWBZPP-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000186775801 327981732 /nfs/dbraw/zinc/98/17/32/327981732.db2.gz USGQHIJPGCNTHH-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1cc(N2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)n[nH]1 ZINC000187179542 328007103 /nfs/dbraw/zinc/00/71/03/328007103.db2.gz XVXBKSKXSWHKBQ-UHFFFAOYSA-N 1 0 372.429 2.086 20 5 FEBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187546426 328032485 /nfs/dbraw/zinc/03/24/85/328032485.db2.gz KKLJNDVJAXERLY-UHFFFAOYSA-N 1 0 371.397 2.090 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)o2)c(Cl)c1 ZINC000187665140 328038417 /nfs/dbraw/zinc/03/84/17/328038417.db2.gz YBXHQMZEXJWPLB-RYUDHWBXSA-N 1 0 352.774 2.436 20 5 FEBDRO CSc1cccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000188018838 328060774 /nfs/dbraw/zinc/06/07/74/328060774.db2.gz PUPMHEDACOMRIJ-CYBMUJFWSA-N 1 0 367.471 2.403 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)[NH+](C)C ZINC000188208407 328073363 /nfs/dbraw/zinc/07/33/63/328073363.db2.gz BXKPDLBWSCPPLW-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188622330 328099443 /nfs/dbraw/zinc/09/94/43/328099443.db2.gz KIYZGCYCEGVOTH-CQSZACIVSA-N 1 0 363.458 2.437 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189094023 328128148 /nfs/dbraw/zinc/12/81/48/328128148.db2.gz RALYYZYDLLDFFK-OAHLLOKOSA-N 1 0 353.444 2.186 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](O)C(F)(F)F ZINC000189479188 328150715 /nfs/dbraw/zinc/15/07/15/328150715.db2.gz WHPQMUBLZKILFI-CYBMUJFWSA-N 1 0 363.336 2.477 20 5 FEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191645502 328275604 /nfs/dbraw/zinc/27/56/04/328275604.db2.gz RJNGXPDFLBWEJN-MAUKXSAKSA-N 1 0 352.431 2.208 20 5 FEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191665348 328276491 /nfs/dbraw/zinc/27/64/91/328276491.db2.gz KDTRXIGZLUGBJS-FUHWJXTLSA-N 1 0 352.431 2.208 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000191985999 328291989 /nfs/dbraw/zinc/29/19/89/328291989.db2.gz IJROCWAGYVOMSD-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191999118 328292932 /nfs/dbraw/zinc/29/29/32/328292932.db2.gz OAZXIKGCZJWXIU-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000192808758 328340849 /nfs/dbraw/zinc/34/08/49/328340849.db2.gz ZRNSYZAGZZFKRP-UHFFFAOYSA-N 1 0 369.425 2.208 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019697 328352506 /nfs/dbraw/zinc/35/25/06/328352506.db2.gz CHHNQOZLOFMRIV-CJNGLKHVSA-N 1 0 357.414 2.315 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000193293362 328367208 /nfs/dbraw/zinc/36/72/08/328367208.db2.gz NPDQSWRXNRGWFH-WDEREUQCSA-N 1 0 361.851 2.352 20 5 FEBDRO CCOC1CC(C[NH2+]Cc2csc([N+](=O)[O-])c2)(N2CCOCC2)C1 ZINC000195461069 328478813 /nfs/dbraw/zinc/47/88/13/328478813.db2.gz BPUIYEGOAXOZOZ-UHFFFAOYSA-N 1 0 355.460 2.016 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+](C)C)cc1OC ZINC000053272541 324735844 /nfs/dbraw/zinc/73/58/44/324735844.db2.gz CNYSHNHWTNWQRQ-UHFFFAOYSA-N 1 0 353.419 2.320 20 5 FEBDRO CCOc1cc(C(=O)NCC2([NH3+])CCCCC2)c([N+](=O)[O-])cc1OC ZINC000236890221 328497182 /nfs/dbraw/zinc/49/71/82/328497182.db2.gz TXYFXFSHTOTTFF-UHFFFAOYSA-N 1 0 351.403 2.394 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000237083118 328503827 /nfs/dbraw/zinc/50/38/27/328503827.db2.gz UDSZRQVVWPXPQP-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000237275133 328510857 /nfs/dbraw/zinc/51/08/57/328510857.db2.gz OSRFLGKOEOSXSH-WPRPVWTQSA-N 1 0 359.329 2.062 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078351260 325043496 /nfs/dbraw/zinc/04/34/96/325043496.db2.gz FTBGEOWSNXVDCZ-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000079045891 325073839 /nfs/dbraw/zinc/07/38/39/325073839.db2.gz FSBSIKVVKWSPCL-HNNXBMFYSA-N 1 0 367.471 2.293 20 5 FEBDRO COc1ccc(CSCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237423181 328515294 /nfs/dbraw/zinc/51/52/94/328515294.db2.gz FDFCFKJYQIQASR-PBWFPOADSA-N 1 0 365.455 2.236 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000083025686 325210198 /nfs/dbraw/zinc/21/01/98/325210198.db2.gz WJTYTIUSLKUWCA-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000237667397 328524302 /nfs/dbraw/zinc/52/43/02/328524302.db2.gz PVKLOXCJPOTUMK-INIZCTEOSA-N 1 0 356.426 2.391 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000083992004 325227216 /nfs/dbraw/zinc/22/72/16/325227216.db2.gz IUFJAILYUOSXJQ-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+](C[C@@H]4CCOC4)CC3)co2)cc1 ZINC000089908503 325341962 /nfs/dbraw/zinc/34/19/62/325341962.db2.gz MVPYIODYQOUYDB-HNNXBMFYSA-N 1 0 372.425 2.404 20 5 FEBDRO [NH3+]CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000238031318 328538575 /nfs/dbraw/zinc/53/85/75/328538575.db2.gz SHJLBCZIAFVMTK-UHFFFAOYSA-N 1 0 356.220 2.097 20 5 FEBDRO CC(C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000102331339 325490612 /nfs/dbraw/zinc/49/06/12/325490612.db2.gz FCELBAAVFOSYGI-MRXNPFEDSA-N 1 0 365.478 2.399 20 5 FEBDRO CN(CC[NH+]1CCCC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000103120289 325507283 /nfs/dbraw/zinc/50/72/83/325507283.db2.gz RZFTUDPENWHRDB-UHFFFAOYSA-N 1 0 360.458 2.365 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000116185387 325997873 /nfs/dbraw/zinc/99/78/73/325997873.db2.gz KVUNPXINEULMDX-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000118098490 326080316 /nfs/dbraw/zinc/08/03/16/326080316.db2.gz OOADEHQQUIUCSZ-OAHLLOKOSA-N 1 0 350.419 2.016 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000118787471 326102730 /nfs/dbraw/zinc/10/27/30/326102730.db2.gz HCFWAOWFGKOOGX-CQSZACIVSA-N 1 0 363.462 2.298 20 5 FEBDRO C[C@@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000119610448 326180851 /nfs/dbraw/zinc/18/08/51/326180851.db2.gz QRUNLDMKFLTMOR-CYBMUJFWSA-N 1 0 351.451 2.282 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290819 326247220 /nfs/dbraw/zinc/24/72/20/326247220.db2.gz VANQSHXDTUPKOJ-CYBMUJFWSA-N 1 0 373.450 2.380 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121304514 326328370 /nfs/dbraw/zinc/32/83/70/326328370.db2.gz UNAFOGNYRARVAQ-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709271 326360360 /nfs/dbraw/zinc/36/03/60/326360360.db2.gz ZQTSHZBYIPIHEX-ZDUSSCGKSA-N 1 0 374.441 2.317 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122059783 326382202 /nfs/dbraw/zinc/38/22/02/326382202.db2.gz WSLDEKNQFQCNDC-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO [NH3+][C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000122345988 326393270 /nfs/dbraw/zinc/39/32/70/326393270.db2.gz JZHFCMDFUBYDEA-QMMMGPOBSA-N 1 0 354.215 2.013 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000146231036 326665524 /nfs/dbraw/zinc/66/55/24/326665524.db2.gz LTYCYQUVOPFTOJ-GFCCVEGCSA-N 1 0 373.862 2.497 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152408559 326706509 /nfs/dbraw/zinc/70/65/09/326706509.db2.gz RQIDJAUNUZJMLN-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152829684 326717404 /nfs/dbraw/zinc/71/74/04/326717404.db2.gz YHRVXYUMMAHFGF-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000154286557 326755944 /nfs/dbraw/zinc/75/59/44/326755944.db2.gz FRCGQXJBPIGIRD-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158190438 326888101 /nfs/dbraw/zinc/88/81/01/326888101.db2.gz KOUVQLWGVIVPNF-MEDUHNTESA-N 1 0 353.806 2.228 20 5 FEBDRO Cc1c(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000161871320 327011154 /nfs/dbraw/zinc/01/11/54/327011154.db2.gz FFMJGVGXFPADCB-UHFFFAOYSA-N 1 0 369.425 2.231 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161926428 327012636 /nfs/dbraw/zinc/01/26/36/327012636.db2.gz RGTYWYRMAPTFJA-CXAGYDPISA-N 1 0 358.442 2.408 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163772498 327058431 /nfs/dbraw/zinc/05/84/31/327058431.db2.gz AFAKKXCBWXHERB-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171454235 327140402 /nfs/dbraw/zinc/14/04/02/327140402.db2.gz BLEMQIIYHBTBNF-CYBMUJFWSA-N 1 0 362.386 2.430 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172398080 327199743 /nfs/dbraw/zinc/19/97/43/327199743.db2.gz RQVZICHYKLOBCD-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1C ZINC000173088586 327234565 /nfs/dbraw/zinc/23/45/65/327234565.db2.gz YOFAMJXSNMKISD-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000173288031 327247199 /nfs/dbraw/zinc/24/71/99/327247199.db2.gz ZBCBTTYWWAPNAI-GOEBONIOSA-N 1 0 360.414 2.007 20 5 FEBDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173312806 327249108 /nfs/dbraw/zinc/24/91/08/327249108.db2.gz AODAEQOJWRBFPX-INIZCTEOSA-N 1 0 370.457 2.248 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000173665878 327274898 /nfs/dbraw/zinc/27/48/98/327274898.db2.gz SERFDKRTWFKFKR-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173827689 327287085 /nfs/dbraw/zinc/28/70/85/327287085.db2.gz ILAWRDCIHDWZDI-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000173903721 327292940 /nfs/dbraw/zinc/29/29/40/327292940.db2.gz OZUCYVRFCZTGLK-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000173989720 327300046 /nfs/dbraw/zinc/30/00/46/327300046.db2.gz ZQBLAFWTLJJLOE-HNNXBMFYSA-N 1 0 355.460 2.262 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000174135509 327308120 /nfs/dbraw/zinc/30/81/20/327308120.db2.gz YJNRROJVNXRLJR-UHFFFAOYSA-N 1 0 350.375 2.355 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000174154726 327309186 /nfs/dbraw/zinc/30/91/86/327309186.db2.gz SCFYHUZLDBUFCR-LBPRGKRZSA-N 1 0 350.375 2.368 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174490846 327330525 /nfs/dbraw/zinc/33/05/25/327330525.db2.gz HQCSKMDRYQWJHH-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732999 327346624 /nfs/dbraw/zinc/34/66/24/327346624.db2.gz RLQANRYEYCVARS-ZWNOBZJWSA-N 1 0 356.329 2.104 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175089682 327373543 /nfs/dbraw/zinc/37/35/43/327373543.db2.gz XCVRLCCGESFSJZ-QWRGUYRKSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000175117003 327375066 /nfs/dbraw/zinc/37/50/66/327375066.db2.gz IQEWBYGCODFDQZ-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175208970 327380007 /nfs/dbraw/zinc/38/00/07/327380007.db2.gz PHXSZQAHEIKMCM-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CCc1n[nH]c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000175281996 327384343 /nfs/dbraw/zinc/38/43/43/327384343.db2.gz QIKWRBFWIIMBAT-UHFFFAOYSA-N 1 0 351.451 2.368 20 5 FEBDRO COc1cc(CCNC(=O)C[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178807749 327608215 /nfs/dbraw/zinc/60/82/15/327608215.db2.gz OSJMYFNXIUFHIX-OAHLLOKOSA-N 1 0 373.409 2.361 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000261825274 328822401 /nfs/dbraw/zinc/82/24/01/328822401.db2.gz XBFQBQGZXUBPKV-QWRGUYRKSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262015240 328835680 /nfs/dbraw/zinc/83/56/80/328835680.db2.gz RDJVRSDBTKUYHU-JKSUJKDBSA-N 1 0 354.410 2.268 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262075427 328840090 /nfs/dbraw/zinc/84/00/90/328840090.db2.gz PTNFHULHVIOSEW-UHFFFAOYSA-N 1 0 364.431 2.052 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262590857 328874915 /nfs/dbraw/zinc/87/49/15/328874915.db2.gz RDUDBZVUTIAUMJ-JTQLQIEISA-N 1 0 361.320 2.265 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000264356192 329013826 /nfs/dbraw/zinc/01/38/26/329013826.db2.gz BONGNSPCTJZONQ-MRXNPFEDSA-N 1 0 372.425 2.193 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000264356189 329014048 /nfs/dbraw/zinc/01/40/48/329014048.db2.gz BONGNSPCTJZONQ-INIZCTEOSA-N 1 0 372.425 2.193 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264854260 329067943 /nfs/dbraw/zinc/06/79/43/329067943.db2.gz CVBUKXFPXMBASI-AWEZNQCLSA-N 1 0 373.457 2.080 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264869171 329069100 /nfs/dbraw/zinc/06/91/00/329069100.db2.gz GJHJLIGMQGYREX-UHFFFAOYSA-N 1 0 374.441 2.439 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264869106 329069169 /nfs/dbraw/zinc/06/91/69/329069169.db2.gz GHZGANGGXIMULW-UHFFFAOYSA-N 1 0 373.457 2.174 20 5 FEBDRO Cc1ccnc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000265278775 329109946 /nfs/dbraw/zinc/10/99/46/329109946.db2.gz VWDGOKOOQSFTSK-UHFFFAOYSA-N 1 0 357.414 2.202 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000265928711 329173465 /nfs/dbraw/zinc/17/34/65/329173465.db2.gz OHYCEZNDAGNUEP-UHFFFAOYSA-N 1 0 353.422 2.353 20 5 FEBDRO COc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265952225 329175845 /nfs/dbraw/zinc/17/58/45/329175845.db2.gz MUCVSORYEFNQCK-ZDUSSCGKSA-N 1 0 353.419 2.318 20 5 FEBDRO COc1ccc(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000266635458 329244166 /nfs/dbraw/zinc/24/41/66/329244166.db2.gz XNOZHZGSQGZUQJ-KRWDZBQOSA-N 1 0 365.430 2.013 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000267293761 329311363 /nfs/dbraw/zinc/31/13/63/329311363.db2.gz CZIPIUPPTPOQRQ-KGLIPLIRSA-N 1 0 350.419 2.275 20 5 FEBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@H](C)O1 ZINC000267368893 329319769 /nfs/dbraw/zinc/31/97/69/329319769.db2.gz FKBAIZIYNSQOGE-KBPBESRZSA-N 1 0 364.446 2.274 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524583 329335446 /nfs/dbraw/zinc/33/54/46/329335446.db2.gz RMWMYZUPILEEHP-SWLSCSKDSA-N 1 0 357.414 2.409 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000267922911 329368737 /nfs/dbraw/zinc/36/87/37/329368737.db2.gz KPEAXJVCSJZAMG-AWEZNQCLSA-N 1 0 354.403 2.046 20 5 FEBDRO CC1(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000268099923 329385202 /nfs/dbraw/zinc/38/52/02/329385202.db2.gz KNQAJUGWBRULSM-UHFFFAOYSA-N 1 0 363.414 2.398 20 5 FEBDRO Cc1nc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000268470949 329423493 /nfs/dbraw/zinc/42/34/93/329423493.db2.gz JLVXOHIPQHYWRO-UHFFFAOYSA-N 1 0 357.414 2.202 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])nc2)C1 ZINC000269390962 329514639 /nfs/dbraw/zinc/51/46/39/329514639.db2.gz AASSSWCLRHBGCI-CQSZACIVSA-N 1 0 355.398 2.382 20 5 FEBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269505870 329526687 /nfs/dbraw/zinc/52/66/87/329526687.db2.gz YZFLPRNPBHRVOK-SECBINFHSA-N 1 0 369.365 2.232 20 5 FEBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000269651119 329537663 /nfs/dbraw/zinc/53/76/63/329537663.db2.gz UEUXORKBLMPHPX-UHFFFAOYSA-N 1 0 370.409 2.034 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1=O ZINC000270376490 329595390 /nfs/dbraw/zinc/59/53/90/329595390.db2.gz VDSQLHGVKBXHKK-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000270718693 329625321 /nfs/dbraw/zinc/62/53/21/329625321.db2.gz FALZOPSEUIBGDD-HNNXBMFYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[NH+](C)CCOc1cc(CNc2nc3sccn3c2[N+](=O)[O-])ccn1 ZINC000270743727 329627581 /nfs/dbraw/zinc/62/75/81/329627581.db2.gz VTTMPVBJZGSXJH-UHFFFAOYSA-N 1 0 362.415 2.252 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000272457602 329782732 /nfs/dbraw/zinc/78/27/32/329782732.db2.gz GTVACCCDRFTISO-HNNXBMFYSA-N 1 0 364.833 2.446 20 5 FEBDRO COc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000272827468 329815789 /nfs/dbraw/zinc/81/57/89/329815789.db2.gz MEPSFTQXRFHRAV-HNNXBMFYSA-N 1 0 354.432 2.162 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000273613752 329879179 /nfs/dbraw/zinc/87/91/79/329879179.db2.gz ONANUZNRYPACME-LBPRGKRZSA-N 1 0 359.386 2.371 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000273908767 329901781 /nfs/dbraw/zinc/90/17/81/329901781.db2.gz AHKXKSWDNJBFEU-QWHCGFSZSA-N 1 0 351.403 2.409 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274037358 329910349 /nfs/dbraw/zinc/91/03/49/329910349.db2.gz MZBHILJITOBGKZ-HOTGVXAUSA-N 1 0 364.471 2.045 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(CC)CCC[NH+](C)C)cc1OC ZINC000276203034 330128816 /nfs/dbraw/zinc/12/88/16/330128816.db2.gz KEVVFNQRSVGLCZ-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217309 330231441 /nfs/dbraw/zinc/23/14/41/330231441.db2.gz LVXWBBMKWJGRME-FHLIZLRMSA-N 1 0 358.442 2.259 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000371457495 330244133 /nfs/dbraw/zinc/24/41/33/330244133.db2.gz IOOJZTBPQBWRDN-CDVVCGDMSA-N 1 0 372.469 2.235 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426240201 330271470 /nfs/dbraw/zinc/27/14/70/330271470.db2.gz VJJLXPLFNIHZKL-DJSGYFEHSA-N 1 0 351.403 2.166 20 5 FEBDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000554108518 674304195 /nfs/dbraw/zinc/30/41/95/674304195.db2.gz FSESRSASBKWQBF-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000554586513 674324939 /nfs/dbraw/zinc/32/49/39/674324939.db2.gz ZTRAYODIRIFUAE-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000555230342 674352706 /nfs/dbraw/zinc/35/27/06/674352706.db2.gz YWJOZSOHFGNXFS-LBPRGKRZSA-N 1 0 351.794 2.014 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156335399 545619229 /nfs/dbraw/zinc/61/92/29/545619229.db2.gz PSOXSIGBDSQBHG-INIZCTEOSA-N 1 0 369.487 2.382 20 5 FEBDRO CC(C)C(=O)NCCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157384118 545733872 /nfs/dbraw/zinc/73/38/72/545733872.db2.gz WOYZACKBWLRIMK-NSHDSACASA-N 1 0 370.837 2.279 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000158422713 545859232 /nfs/dbraw/zinc/85/92/32/545859232.db2.gz LEVCSZOABGJFSX-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000159076392 545919724 /nfs/dbraw/zinc/91/97/24/545919724.db2.gz CMQLUCPHEDBDNL-JTQLQIEISA-N 1 0 354.204 2.278 20 5 FEBDRO Cc1ccc(NCCCNC(=O)C2([NH3+])Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000160482856 546045632 /nfs/dbraw/zinc/04/56/32/546045632.db2.gz OIKSEUNNBOCLAB-UHFFFAOYSA-N 1 0 368.437 2.318 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000479756541 561196293 /nfs/dbraw/zinc/19/62/93/561196293.db2.gz OSQHMSGNPCVFAF-LLVKDONJSA-N 1 0 353.419 2.318 20 5 FEBDRO C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C[NH+](C)C ZINC000479766028 561196588 /nfs/dbraw/zinc/19/65/88/561196588.db2.gz FRFWAGBBAZZBDC-LBPRGKRZSA-N 1 0 365.430 2.001 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183436 546417485 /nfs/dbraw/zinc/41/74/85/546417485.db2.gz DUUBKWQFYHCVPG-GOEBONIOSA-N 1 0 364.446 2.374 20 5 FEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCN(c2ccccn2)CC1 ZINC000176286121 546427614 /nfs/dbraw/zinc/42/76/14/546427614.db2.gz AGSQYQDOLNSWCF-UHFFFAOYSA-N 1 0 358.446 2.425 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C[NH+](C)C)ccn1 ZINC000176421313 546443919 /nfs/dbraw/zinc/44/39/19/546443919.db2.gz KWPDTGQGSFRAFZ-UHFFFAOYSA-N 1 0 350.400 2.161 20 5 FEBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000177070094 546538292 /nfs/dbraw/zinc/53/82/92/546538292.db2.gz GIQNQFUINZTFMF-CQSZACIVSA-N 1 0 360.414 2.280 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480759957 561216134 /nfs/dbraw/zinc/21/61/34/561216134.db2.gz QMRNNZOZDHWSBH-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177507036 546632320 /nfs/dbraw/zinc/63/23/20/546632320.db2.gz PHPCBHGHHJTIOY-GJZGRUSLSA-N 1 0 363.414 2.374 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000481016260 561222946 /nfs/dbraw/zinc/22/29/46/561222946.db2.gz ANXLCAXJJAKZRX-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178002587 546720746 /nfs/dbraw/zinc/72/07/46/546720746.db2.gz KPOVSFQFQZVJKS-GHMZBOCLSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000481362626 561231533 /nfs/dbraw/zinc/23/15/33/561231533.db2.gz GLWPYZHSXRDKIE-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000178799971 546851644 /nfs/dbraw/zinc/85/16/44/546851644.db2.gz YMNNPOWMPFGONO-VWLOTQADSA-N 1 0 361.423 2.403 20 5 FEBDRO COc1cc(C)c([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000179619143 546988341 /nfs/dbraw/zinc/98/83/41/546988341.db2.gz XUMTYDGEGQTPEQ-ZDUSSCGKSA-N 1 0 361.398 2.433 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000179756841 547008317 /nfs/dbraw/zinc/00/83/17/547008317.db2.gz JGEILLBWXWGCMW-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004660 547037426 /nfs/dbraw/zinc/03/74/26/547037426.db2.gz XJNAHBSTVSSLGG-XHDPSFHLSA-N 1 0 359.386 2.252 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180752347 547172779 /nfs/dbraw/zinc/17/27/79/547172779.db2.gz CAFAZHMENQRYRW-INIZCTEOSA-N 1 0 368.437 2.471 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000180903549 547207010 /nfs/dbraw/zinc/20/70/10/547207010.db2.gz BOPJTAKXAMFRBU-LLVKDONJSA-N 1 0 373.356 2.270 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181635151 547349771 /nfs/dbraw/zinc/34/97/71/547349771.db2.gz APYJIUSOHIDRDM-SMDDNHRTSA-N 1 0 370.452 2.142 20 5 FEBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CCOc1ccccc1 ZINC000181988266 547417522 /nfs/dbraw/zinc/41/75/22/547417522.db2.gz KXCHWQIPGQISTB-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO COc1cc(OCC(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000182254321 547461502 /nfs/dbraw/zinc/46/15/02/547461502.db2.gz JKAAPKZVYHJCCK-CQSZACIVSA-N 1 0 365.430 2.363 20 5 FEBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000182384402 547482703 /nfs/dbraw/zinc/48/27/03/547482703.db2.gz PITHCRHCAXUOQN-XJKSGUPXSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182627137 547524875 /nfs/dbraw/zinc/52/48/75/547524875.db2.gz OLDDHBSFZMTKCJ-JJTKIYQPSA-N 1 0 374.485 2.346 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000183452737 547662632 /nfs/dbraw/zinc/66/26/32/547662632.db2.gz QKEJYABOLVNWFI-UHFFFAOYSA-N 1 0 355.398 2.098 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184238449 547792939 /nfs/dbraw/zinc/79/29/39/547792939.db2.gz MCMNXWNCXNIEPH-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000484880119 561307694 /nfs/dbraw/zinc/30/76/94/561307694.db2.gz WZKDAQLBIDVLSG-JYJNAYRXSA-N 1 0 352.431 2.472 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000184570409 547848051 /nfs/dbraw/zinc/84/80/51/547848051.db2.gz XFOXNBZCJOGMFC-HIFRSBDPSA-N 1 0 355.460 2.087 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]12 ZINC000185047697 547923522 /nfs/dbraw/zinc/92/35/22/547923522.db2.gz NCQZSFBRXASKMC-MPKXVKKWSA-N 1 0 368.231 2.096 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179089 547946482 /nfs/dbraw/zinc/94/64/82/547946482.db2.gz NWKWMNUCDBMINL-TZMCWYRMSA-N 1 0 353.394 2.064 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185180453 547947802 /nfs/dbraw/zinc/94/78/02/547947802.db2.gz YIVKLQGCJJASKI-CJNGLKHVSA-N 1 0 354.410 2.427 20 5 FEBDRO COc1ccccc1C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000185866791 548047487 /nfs/dbraw/zinc/04/74/87/548047487.db2.gz HKBBHFKVXJRWKB-SJORKVTESA-N 1 0 362.430 2.018 20 5 FEBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000186374273 548125893 /nfs/dbraw/zinc/12/58/93/548125893.db2.gz JWPIFTXACYNEMZ-GFCCVEGCSA-N 1 0 353.394 2.064 20 5 FEBDRO Nc1ccc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186576120 548153635 /nfs/dbraw/zinc/15/36/35/548153635.db2.gz BAEULEFXRNWNFF-INIZCTEOSA-N 1 0 369.425 2.357 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000193944668 548411399 /nfs/dbraw/zinc/41/13/99/548411399.db2.gz VMGMNPLYRBQTBV-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000193948786 548412608 /nfs/dbraw/zinc/41/26/08/548412608.db2.gz OMTGSMFTDCIPGM-UHFFFAOYSA-N 1 0 352.435 2.333 20 5 FEBDRO C[C@@H]1CN(CCN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000194770938 548529937 /nfs/dbraw/zinc/52/99/37/548529937.db2.gz WAZOCNYTFBTTAC-OKILXGFUSA-N 1 0 374.441 2.186 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865013 561358477 /nfs/dbraw/zinc/35/84/77/561358477.db2.gz HDHGCXZEAVMGQU-DGCLKSJQSA-N 1 0 364.402 2.294 20 5 FEBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236872215 548785728 /nfs/dbraw/zinc/78/57/28/548785728.db2.gz UXSXMQOBJANZNR-CYBMUJFWSA-N 1 0 359.430 2.390 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237707864 548846281 /nfs/dbraw/zinc/84/62/81/548846281.db2.gz YIHOYEGDEOPWQI-UHFFFAOYSA-N 1 0 351.378 2.103 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095711 561383408 /nfs/dbraw/zinc/38/34/08/561383408.db2.gz RSQVTSVLPJXBIN-SUMWQHHRSA-N 1 0 364.446 2.202 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@H]21 ZINC000245808267 548996830 /nfs/dbraw/zinc/99/68/30/548996830.db2.gz QHOLFAHWTXMJHR-GOEBONIOSA-N 1 0 369.425 2.337 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000245925869 549021266 /nfs/dbraw/zinc/02/12/66/549021266.db2.gz XLSRYHBMBTXESK-JLSDUUJJSA-N 1 0 359.426 2.104 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246086084 549048872 /nfs/dbraw/zinc/04/88/72/549048872.db2.gz GGWYUQHCZPLHJD-UONOGXRCSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246130453 549058424 /nfs/dbraw/zinc/05/84/24/549058424.db2.gz JPPYPIXQADAPGZ-ZYHUDNBSSA-N 1 0 361.851 2.209 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000246198201 549075693 /nfs/dbraw/zinc/07/56/93/549075693.db2.gz NDFKZJGFDVVUBT-JSGCOSHPSA-N 1 0 350.419 2.333 20 5 FEBDRO O=C1[C@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246248722 549089092 /nfs/dbraw/zinc/08/90/92/549089092.db2.gz VVGFTWAXSOEANU-MAUKXSAKSA-N 1 0 358.442 2.118 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246328514 549107331 /nfs/dbraw/zinc/10/73/31/549107331.db2.gz KZERZRSALOWNQK-AAEUAGOBSA-N 1 0 352.822 2.355 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000488506991 561390924 /nfs/dbraw/zinc/39/09/24/561390924.db2.gz VLYWDJKBBFYJAJ-NJAPINKUSA-N 1 0 357.414 2.482 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488702926 561394878 /nfs/dbraw/zinc/39/48/78/561394878.db2.gz OPRGFUYTQDMQOV-CYBMUJFWSA-N 1 0 359.430 2.156 20 5 FEBDRO CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246715535 549194229 /nfs/dbraw/zinc/19/42/29/549194229.db2.gz KZJCKZNTGMGTDI-SJLPKXTDSA-N 1 0 360.414 2.388 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246915565 549242238 /nfs/dbraw/zinc/24/22/38/549242238.db2.gz RSSSIKWNZHJXIY-MQIPJXDCSA-N 1 0 351.403 2.023 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247342699 549322642 /nfs/dbraw/zinc/32/26/42/549322642.db2.gz JGLMBQBQNRLIIF-DGCLKSJQSA-N 1 0 351.403 2.024 20 5 FEBDRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000248490319 549450211 /nfs/dbraw/zinc/45/02/11/549450211.db2.gz IAKOCUKNMVNGLD-HIFRSBDPSA-N 1 0 367.421 2.191 20 5 FEBDRO C[C@H](O)CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249117582 549554509 /nfs/dbraw/zinc/55/45/09/549554509.db2.gz SPUGMEAAEIUZLW-KBPBESRZSA-N 1 0 363.458 2.419 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000249259692 549573061 /nfs/dbraw/zinc/57/30/61/549573061.db2.gz YWMRNZBJVUMNFA-GJZGRUSLSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000249709100 549617168 /nfs/dbraw/zinc/61/71/68/549617168.db2.gz SJECJCAAXNQLJZ-VXGBXAGGSA-N 1 0 359.423 2.133 20 5 FEBDRO COc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1 ZINC000252480758 549668009 /nfs/dbraw/zinc/66/80/09/549668009.db2.gz FRALGKSEIYXKNM-RDTXWAMCSA-N 1 0 374.441 2.462 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000261603296 549733379 /nfs/dbraw/zinc/73/33/79/549733379.db2.gz AREXLFZWQMXABA-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261734362 549748834 /nfs/dbraw/zinc/74/88/34/549748834.db2.gz SDDKEDAEKMAPLN-OAHLLOKOSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262023628 549781298 /nfs/dbraw/zinc/78/12/98/549781298.db2.gz NILUDIYJOVTUSZ-MRXNPFEDSA-N 1 0 357.357 2.390 20 5 FEBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000262029330 549782014 /nfs/dbraw/zinc/78/20/14/549782014.db2.gz NVRXXNAFUCWSFQ-SECBINFHSA-N 1 0 368.242 2.274 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000490425989 561432843 /nfs/dbraw/zinc/43/28/43/561432843.db2.gz NETGRRVEEMTBMT-CQSZACIVSA-N 1 0 367.471 2.231 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](CC)C2CC2)cc1OC ZINC000263721649 549925920 /nfs/dbraw/zinc/92/59/20/549925920.db2.gz LSKPNEUSZOCLMB-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000264123718 549981855 /nfs/dbraw/zinc/98/18/55/549981855.db2.gz CWZQVIFQRZXZGO-UHFFFAOYSA-N 1 0 367.356 2.109 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268293215 550045707 /nfs/dbraw/zinc/04/57/07/550045707.db2.gz ZTRUCXMKVBRAJH-SMDDNHRTSA-N 1 0 363.414 2.215 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268293213 550045855 /nfs/dbraw/zinc/04/58/55/550045855.db2.gz ZTRUCXMKVBRAJH-FZMZJTMJSA-N 1 0 363.414 2.215 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000491977457 561448613 /nfs/dbraw/zinc/44/86/13/561448613.db2.gz PFGARYJJBYWIGD-DLBZAZTESA-N 1 0 365.405 2.232 20 5 FEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268840506 550122124 /nfs/dbraw/zinc/12/21/24/550122124.db2.gz UDSPRIQBAZQUKW-INIZCTEOSA-N 1 0 369.487 2.177 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1O ZINC000269121977 550157434 /nfs/dbraw/zinc/15/74/34/550157434.db2.gz GABJKMKTDOYHPG-BLLLJJGKSA-N 1 0 354.428 2.453 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC000270087907 550248498 /nfs/dbraw/zinc/24/84/98/550248498.db2.gz JOPCDYKOPKGGRD-GFCCVEGCSA-N 1 0 350.394 2.120 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N2CCCC2=O)C1 ZINC000270912048 550320347 /nfs/dbraw/zinc/32/03/47/550320347.db2.gz OAWWTVQVLSVLID-WFASDCNBSA-N 1 0 371.397 2.403 20 5 FEBDRO COc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077598 550338327 /nfs/dbraw/zinc/33/83/27/550338327.db2.gz HOKXSOUJPLLCQH-MRXNPFEDSA-N 1 0 354.426 2.426 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328718 550438366 /nfs/dbraw/zinc/43/83/66/550438366.db2.gz LAHOKGBJXDGEJT-GXFFZTMASA-N 1 0 361.427 2.156 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272735896 550467931 /nfs/dbraw/zinc/46/79/31/550467931.db2.gz CGDXAIKQEHMPIC-LBPRGKRZSA-N 1 0 361.398 2.152 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCn3ccnc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494445936 561469918 /nfs/dbraw/zinc/46/99/18/561469918.db2.gz SQVZYRPXCZASBC-HNNXBMFYSA-N 1 0 352.398 2.296 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000273362423 550495545 /nfs/dbraw/zinc/49/55/45/550495545.db2.gz QTGZKXZEPQOZMG-IAGOWNOFSA-N 1 0 360.410 2.390 20 5 FEBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273374654 550496194 /nfs/dbraw/zinc/49/61/94/550496194.db2.gz BDUDFQHXCSLNQT-LBPRGKRZSA-N 1 0 372.443 2.078 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000273962297 550517469 /nfs/dbraw/zinc/51/74/69/550517469.db2.gz OAFCJUNVKOYGKQ-UHFFFAOYSA-N 1 0 359.835 2.097 20 5 FEBDRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274503457 550541116 /nfs/dbraw/zinc/54/11/16/550541116.db2.gz SIVDEGKQHBURKA-UHFFFAOYSA-N 1 0 366.805 2.491 20 5 FEBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274511412 550541331 /nfs/dbraw/zinc/54/13/31/550541331.db2.gz XOWOTPACIJDXCO-ZDUSSCGKSA-N 1 0 360.414 2.097 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000274549403 550543379 /nfs/dbraw/zinc/54/33/79/550543379.db2.gz XGXBUIPTIZHXDO-LBPRGKRZSA-N 1 0 351.403 2.215 20 5 FEBDRO CS[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274706430 550550139 /nfs/dbraw/zinc/55/01/39/550550139.db2.gz WJCXWNQQEAIMQR-GHMZBOCLSA-N 1 0 353.473 2.320 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669569 561473847 /nfs/dbraw/zinc/47/38/47/561473847.db2.gz CDPHSUGUCPTMQI-QWHCGFSZSA-N 1 0 352.412 2.028 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000276968918 550616692 /nfs/dbraw/zinc/61/66/92/550616692.db2.gz FPMLLRVHPOZLSG-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO CC[NH+]1CCC(NC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277171896 550639650 /nfs/dbraw/zinc/63/96/50/550639650.db2.gz JGGSNALIKLDEMQ-UHFFFAOYSA-N 1 0 364.402 2.296 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000277251403 550648053 /nfs/dbraw/zinc/64/80/53/550648053.db2.gz ZLQSUGHYNLVHGS-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000277261988 550649105 /nfs/dbraw/zinc/64/91/05/550649105.db2.gz LLJQCIISBOXBBR-CQSZACIVSA-N 1 0 372.429 2.040 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277606737 550691112 /nfs/dbraw/zinc/69/11/12/550691112.db2.gz QDQMYXDOLKBJIR-CQSZACIVSA-N 1 0 367.471 2.304 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)s1 ZINC000277611289 550691736 /nfs/dbraw/zinc/69/17/36/550691736.db2.gz AXWAZGAAEXKHDL-UHFFFAOYSA-N 1 0 359.473 2.346 20 5 FEBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278045231 550742657 /nfs/dbraw/zinc/74/26/57/550742657.db2.gz LKOWUSIJLRLCJW-DZGCQCFKSA-N 1 0 370.409 2.336 20 5 FEBDRO CC[NH+]1CCN(CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278431627 550785185 /nfs/dbraw/zinc/78/51/85/550785185.db2.gz PRVDZYRXEBFALV-UHFFFAOYSA-N 1 0 361.368 2.448 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000278503361 550793113 /nfs/dbraw/zinc/79/31/13/550793113.db2.gz IPJFSEYSCWNQOJ-GOSISDBHSA-N 1 0 372.425 2.078 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278760162 550819213 /nfs/dbraw/zinc/81/92/13/550819213.db2.gz KPUIFOHICUUSKZ-KCXAZCMYSA-N 1 0 351.403 2.096 20 5 FEBDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823326 550826017 /nfs/dbraw/zinc/82/60/17/550826017.db2.gz CMPYZMNZVLQXIX-HOTGVXAUSA-N 1 0 368.821 2.125 20 5 FEBDRO CCc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278901326 550833994 /nfs/dbraw/zinc/83/39/94/550833994.db2.gz RPTIDVFSCVEPSV-AWEZNQCLSA-N 1 0 361.442 2.483 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000279265881 550871330 /nfs/dbraw/zinc/87/13/30/550871330.db2.gz VOBDVUINWHIDCB-CYBMUJFWSA-N 1 0 364.421 2.358 20 5 FEBDRO C[C@H]1C[C@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456387 561488296 /nfs/dbraw/zinc/48/82/96/561488296.db2.gz AJVSFHUEHLRWRW-ZFWWWQNUSA-N 1 0 357.414 2.348 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)[C@H]3CCOC3)cs2)c1 ZINC000280298789 550978082 /nfs/dbraw/zinc/97/80/82/550978082.db2.gz NGUVAKWTKWGMDN-KBPBESRZSA-N 1 0 363.439 2.453 20 5 FEBDRO CS[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000495713775 561490401 /nfs/dbraw/zinc/49/04/01/561490401.db2.gz RXVMDWNUCWCWIS-GJZGRUSLSA-N 1 0 351.472 2.376 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000281077726 551061116 /nfs/dbraw/zinc/06/11/16/551061116.db2.gz BGHJLWGGIWRBDI-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000281918030 551157859 /nfs/dbraw/zinc/15/78/59/551157859.db2.gz JHCFCVANODTCGI-SNVBAGLBSA-N 1 0 373.356 2.406 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506744 551239057 /nfs/dbraw/zinc/23/90/57/551239057.db2.gz ROCLMOAQJKZRIH-IEAZIUSSSA-N 1 0 364.398 2.157 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000282580135 551248425 /nfs/dbraw/zinc/24/84/25/551248425.db2.gz VXJMQLSLMRUUKM-UHFFFAOYSA-N 1 0 372.425 2.245 20 5 FEBDRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283432089 551365104 /nfs/dbraw/zinc/36/51/04/551365104.db2.gz XAJMZTQRTOMVMY-UHFFFAOYSA-N 1 0 373.409 2.427 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnn(Cc3ccccc3)c2Cl)c1 ZINC000283965158 551458515 /nfs/dbraw/zinc/45/85/15/551458515.db2.gz NHLUXJSEPCAWNP-UHFFFAOYSA-N 1 0 360.805 2.479 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000498465970 561524990 /nfs/dbraw/zinc/52/49/90/561524990.db2.gz PMTVQTSDMYQGEY-CQSZACIVSA-N 1 0 351.451 2.118 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000498514807 561526481 /nfs/dbraw/zinc/52/64/81/561526481.db2.gz QHUXSRJCQIBGFX-ZDUSSCGKSA-N 1 0 360.414 2.097 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000498557994 561528513 /nfs/dbraw/zinc/52/85/13/561528513.db2.gz XNPZQASJBBJRIP-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498709544 561532354 /nfs/dbraw/zinc/53/23/54/561532354.db2.gz KFTJMSKHMOZDGV-HNNXBMFYSA-N 1 0 360.458 2.364 20 5 FEBDRO COc1ccc(C[NH2+]CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000285449967 551758477 /nfs/dbraw/zinc/75/84/77/551758477.db2.gz IVMMTXHEFCPNLC-UHFFFAOYSA-N 1 0 355.192 2.352 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285491333 551764568 /nfs/dbraw/zinc/76/45/68/551764568.db2.gz PHHVACAPVQKQOX-ZDUSSCGKSA-N 1 0 355.460 2.225 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000285667100 551792113 /nfs/dbraw/zinc/79/21/13/551792113.db2.gz ZLAQBQMDHIOQTE-HOCLYGCPSA-N 1 0 355.460 2.101 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843092 551817957 /nfs/dbraw/zinc/81/79/57/551817957.db2.gz OUTJUOJFBPCNEN-GJZGRUSLSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888045 551823603 /nfs/dbraw/zinc/82/36/03/551823603.db2.gz JVSLXEFWAMOBBU-YQQAZPJKSA-N 1 0 352.431 2.350 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287375624 551996149 /nfs/dbraw/zinc/99/61/49/551996149.db2.gz ZUCRTKJQZXSZFH-MZBDJJRSSA-N 1 0 362.430 2.370 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287752619 552042192 /nfs/dbraw/zinc/04/21/92/552042192.db2.gz TWFGQWZYWSIEOT-KKUMJFAQSA-N 1 0 364.446 2.061 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289590102 552345784 /nfs/dbraw/zinc/34/57/84/552345784.db2.gz PPMWYDWUPSZWRW-OLMNPRSZSA-N 1 0 362.426 2.368 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCCOC2)c1 ZINC000290008401 552413259 /nfs/dbraw/zinc/41/32/59/552413259.db2.gz YUBRVSNXEMKAMT-LLVKDONJSA-N 1 0 362.167 2.468 20 5 FEBDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290178456 552439059 /nfs/dbraw/zinc/43/90/59/552439059.db2.gz NNJSHMJACCAGEY-LQKXBSAESA-N 1 0 352.456 2.329 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000290407432 552474474 /nfs/dbraw/zinc/47/44/74/552474474.db2.gz GAMQYQICKDZHDW-DYVFJYSZSA-N 1 0 374.441 2.181 20 5 FEBDRO NC(=O)c1ccnc(NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000290576838 552501295 /nfs/dbraw/zinc/50/12/95/552501295.db2.gz VBDQTFRNSCTXJN-UHFFFAOYSA-N 1 0 355.398 2.297 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000290725614 552526736 /nfs/dbraw/zinc/52/67/36/552526736.db2.gz ZPSPGHQGOKXSNT-UHFFFAOYSA-N 1 0 358.398 2.246 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000501125273 561590927 /nfs/dbraw/zinc/59/09/27/561590927.db2.gz NXSTXCJNTHAZFD-UHFFFAOYSA-N 1 0 358.402 2.087 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000291232690 552603728 /nfs/dbraw/zinc/60/37/28/552603728.db2.gz ITTFUMLGCAEUHE-OCCSQVGLSA-N 1 0 362.430 2.037 20 5 FEBDRO CC(C)[C@@]1(CO)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162446 552795006 /nfs/dbraw/zinc/79/50/06/552795006.db2.gz UYEWGBAHZIGBHM-WMZOPIPTSA-N 1 0 352.431 2.065 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000501607217 561601874 /nfs/dbraw/zinc/60/18/74/561601874.db2.gz NSGPOQWJUQGUOQ-UHFFFAOYSA-N 1 0 358.402 2.010 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293501412 552830372 /nfs/dbraw/zinc/83/03/72/552830372.db2.gz SNLQGTVPFVZWHJ-WCQYABFASA-N 1 0 353.806 2.228 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000293840824 552861596 /nfs/dbraw/zinc/86/15/96/552861596.db2.gz QNDNBIHMXODMHW-UHFFFAOYSA-N 1 0 371.459 2.148 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295619737 553035106 /nfs/dbraw/zinc/03/51/06/553035106.db2.gz WFFXHPVWIKVRMD-ZDUSSCGKSA-N 1 0 355.822 2.215 20 5 FEBDRO COc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000295643759 553038625 /nfs/dbraw/zinc/03/86/25/553038625.db2.gz PRSJNUSOPRWDPC-UHFFFAOYSA-N 1 0 351.378 2.347 20 5 FEBDRO C[C@H]1[C@@H](N2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749862 553053843 /nfs/dbraw/zinc/05/38/43/553053843.db2.gz ZPKXGPBMZPFGIV-JSGCOSHPSA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295998542 553086978 /nfs/dbraw/zinc/08/69/78/553086978.db2.gz XMSCATCQWHEONA-MRXNPFEDSA-N 1 0 362.474 2.149 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OCc1ccccc1 ZINC000296089760 553103152 /nfs/dbraw/zinc/10/31/52/553103152.db2.gz HJDJEVVFXOPIAL-RCCFBDPRSA-N 1 0 374.441 2.126 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000296219447 553124751 /nfs/dbraw/zinc/12/47/51/553124751.db2.gz KCBXNBYIHFMDNY-OAHLLOKOSA-N 1 0 351.790 2.075 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296326653 553141764 /nfs/dbraw/zinc/14/17/64/553141764.db2.gz QMTZAHXVRBYLID-JLZZUVOBSA-N 1 0 363.414 2.335 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000296855386 553221024 /nfs/dbraw/zinc/22/10/24/553221024.db2.gz FYCBXIUZKCSJQM-UHFFFAOYSA-N 1 0 369.425 2.014 20 5 FEBDRO CC(C)(CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[N+](=O)[O-] ZINC000296897664 553226665 /nfs/dbraw/zinc/22/66/65/553226665.db2.gz VRPMJSTXZVATNA-QGZVFWFLSA-N 1 0 363.458 2.229 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[C@H]1c1ccc(F)cc1 ZINC000297239530 553267951 /nfs/dbraw/zinc/26/79/51/553267951.db2.gz PPOJKBJTGRHYOT-HOTGVXAUSA-N 1 0 373.384 2.456 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284026 553273438 /nfs/dbraw/zinc/27/34/38/553273438.db2.gz LLPYITUPLLMTMF-GDBMZVCRSA-N 1 0 351.447 2.491 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284038 553273584 /nfs/dbraw/zinc/27/35/84/553273584.db2.gz LLPYITUPLLMTMF-HOCLYGCPSA-N 1 0 351.447 2.491 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000297442507 553292810 /nfs/dbraw/zinc/29/28/10/553292810.db2.gz VCMORYIBYFMDSA-FZNYLWTLSA-N 1 0 373.356 2.403 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000297703064 553327584 /nfs/dbraw/zinc/32/75/84/553327584.db2.gz AXYPIQKRFFJPFK-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCO ZINC000297713338 553328833 /nfs/dbraw/zinc/32/88/33/553328833.db2.gz BCEUORVESMXINY-ZDUSSCGKSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803012 553340766 /nfs/dbraw/zinc/34/07/66/553340766.db2.gz IAQUJGHAMXMJHF-GXTWGEPZSA-N 1 0 362.430 2.078 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000298117504 553386276 /nfs/dbraw/zinc/38/62/76/553386276.db2.gz JYXIQZAENNGNKZ-OAHLLOKOSA-N 1 0 351.403 2.073 20 5 FEBDRO CCOC1(C)CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000298355587 553415743 /nfs/dbraw/zinc/41/57/43/553415743.db2.gz UAIPMMGSKZLLKP-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CCC(CC)(CCO)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298476122 553429675 /nfs/dbraw/zinc/42/96/75/553429675.db2.gz IWMXABJSXJTLIK-UHFFFAOYSA-N 1 0 353.419 2.463 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000298482725 553430358 /nfs/dbraw/zinc/43/03/58/553430358.db2.gz WIXAIERRIGMBAR-NSHDSACASA-N 1 0 354.407 2.464 20 5 FEBDRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000298876940 553483809 /nfs/dbraw/zinc/48/38/09/553483809.db2.gz QATYTLNOOIDZPG-QLFBSQMISA-N 1 0 364.446 2.454 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000503997289 561651522 /nfs/dbraw/zinc/65/15/22/561651522.db2.gz BESBFWJUHJXCHK-UHFFFAOYSA-N 1 0 373.475 2.343 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000299315491 553546732 /nfs/dbraw/zinc/54/67/32/553546732.db2.gz PALYQMJOYORJQX-GOOCMWNKSA-N 1 0 374.441 2.282 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301126950 553623888 /nfs/dbraw/zinc/62/38/88/553623888.db2.gz WWQQZXSJBZCFAE-STQMWFEESA-N 1 0 364.446 2.254 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301259090 553636682 /nfs/dbraw/zinc/63/66/82/553636682.db2.gz UPHYUHRJRWKIRN-ZDUSSCGKSA-N 1 0 357.414 2.313 20 5 FEBDRO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000301345028 553644048 /nfs/dbraw/zinc/64/40/48/553644048.db2.gz JYGFLEHIDXDEEX-CQSZACIVSA-N 1 0 357.414 2.090 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301706075 553673023 /nfs/dbraw/zinc/67/30/23/553673023.db2.gz VMKUXHBJZXTDQB-LBPRGKRZSA-N 1 0 373.251 2.257 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CN3CCCC[C@H]3CO2)c(Br)c1 ZINC000301847970 553685035 /nfs/dbraw/zinc/68/50/35/553685035.db2.gz CENIOLGHDBPABY-CMPLNLGQSA-N 1 0 371.235 2.418 20 5 FEBDRO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c(Br)cc1[N+](=O)[O-] ZINC000319271480 553763656 /nfs/dbraw/zinc/76/36/56/553763656.db2.gz ASCLXVXMKIEDEF-LBPRGKRZSA-N 1 0 369.263 2.150 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000324065945 553770802 /nfs/dbraw/zinc/77/08/02/553770802.db2.gz XCNZAUHHUSHTMZ-CQSZACIVSA-N 1 0 369.425 2.166 20 5 FEBDRO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[NH+]1CCCCC1 ZINC000507157830 561719674 /nfs/dbraw/zinc/71/96/74/561719674.db2.gz XOIATGBQDPWZAN-HNNXBMFYSA-N 1 0 373.413 2.284 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@@H+]1C ZINC000330583498 554141726 /nfs/dbraw/zinc/14/17/26/554141726.db2.gz KLUMPXPBFBEXDB-MNOVXSKESA-N 1 0 370.247 2.451 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000508344543 561759642 /nfs/dbraw/zinc/75/96/42/561759642.db2.gz RHHLESJHIAMAIY-STQMWFEESA-N 1 0 363.414 2.232 20 5 FEBDRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372216 561760449 /nfs/dbraw/zinc/76/04/49/561760449.db2.gz XFDVYBIQNXRUMJ-DZGCQCFKSA-N 1 0 366.437 2.205 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000508529826 561764859 /nfs/dbraw/zinc/76/48/59/561764859.db2.gz DRCFIBAQMNNXBY-UHFFFAOYSA-N 1 0 351.794 2.175 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331218810 554232465 /nfs/dbraw/zinc/23/24/65/554232465.db2.gz ACZKJNSETOPXCZ-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000331912276 554345382 /nfs/dbraw/zinc/34/53/82/554345382.db2.gz NCIUPJGGKCBNRW-SMDDNHRTSA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000509453230 561800320 /nfs/dbraw/zinc/80/03/20/561800320.db2.gz TWLYMELORNBMOK-UHFFFAOYSA-N 1 0 367.471 2.141 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332076799 554375426 /nfs/dbraw/zinc/37/54/26/554375426.db2.gz GMUZMSHJIKDFLT-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000332197843 554399511 /nfs/dbraw/zinc/39/95/11/554399511.db2.gz DZHVPOUFNNPTIW-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000510713684 561844314 /nfs/dbraw/zinc/84/43/14/561844314.db2.gz BKBZYTZAALPXFT-KBPBESRZSA-N 1 0 373.450 2.381 20 5 FEBDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342984 554781148 /nfs/dbraw/zinc/78/11/48/554781148.db2.gz UTBXFMXOQBBTNG-SUMWQHHRSA-N 1 0 374.353 2.299 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000612778926 554839538 /nfs/dbraw/zinc/83/95/38/554839538.db2.gz GVDNFVBRBJLJQI-UHFFFAOYSA-N 1 0 370.457 2.395 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000511347208 561866201 /nfs/dbraw/zinc/86/62/01/561866201.db2.gz WUYBVNKMTWHIJH-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO COc1ccc(C[C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408740 554873960 /nfs/dbraw/zinc/87/39/60/554873960.db2.gz YTJHHENMADNXIP-FUHWJXTLSA-N 1 0 374.441 2.116 20 5 FEBDRO COc1ccc(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000362069104 554948115 /nfs/dbraw/zinc/94/81/15/554948115.db2.gz UNDFXRAGZJEWRA-MRXNPFEDSA-N 1 0 357.410 2.472 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362396978 554969600 /nfs/dbraw/zinc/96/96/00/554969600.db2.gz QEYTZZJMICZCNU-KGLIPLIRSA-N 1 0 365.455 2.300 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363122491 555035376 /nfs/dbraw/zinc/03/53/76/555035376.db2.gz OXWUJWSEBWXQEF-OAHLLOKOSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363272599 555068605 /nfs/dbraw/zinc/06/86/05/555068605.db2.gz GYRVDTDQPFSSGV-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO Cn1cccc1C(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000363452924 555109046 /nfs/dbraw/zinc/10/90/46/555109046.db2.gz NZGISOJXEPIZAJ-UHFFFAOYSA-N 1 0 372.425 2.207 20 5 FEBDRO Cn1cccc1C(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363452980 555109236 /nfs/dbraw/zinc/10/92/36/555109236.db2.gz OUVBXAUCOYJQLO-UHFFFAOYSA-N 1 0 356.426 2.370 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccc(F)cc1 ZINC000363745793 555177537 /nfs/dbraw/zinc/17/75/37/555177537.db2.gz PVUASLGEKNXKJV-GJZGRUSLSA-N 1 0 369.356 2.177 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364307334 555288755 /nfs/dbraw/zinc/28/87/55/555288755.db2.gz YOALAKZLPJDGDG-JKSUJKDBSA-N 1 0 373.384 2.456 20 5 FEBDRO Cc1c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364599947 555349606 /nfs/dbraw/zinc/34/96/06/555349606.db2.gz LWTPMCYBSHOUBB-UHFFFAOYSA-N 1 0 362.386 2.417 20 5 FEBDRO CNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000364664151 555367093 /nfs/dbraw/zinc/36/70/93/555367093.db2.gz PGOKKXNVUWORQS-YJBOKZPZSA-N 1 0 369.425 2.454 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000364743348 555391762 /nfs/dbraw/zinc/39/17/62/555391762.db2.gz QBJYTMYGULOYLJ-DLBZAZTESA-N 1 0 360.414 2.086 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000365047751 555473103 /nfs/dbraw/zinc/47/31/03/555473103.db2.gz YELBKDFZHFJPQF-HOTGVXAUSA-N 1 0 350.415 2.083 20 5 FEBDRO CN(c1ccc(F)cc1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000365185226 555505178 /nfs/dbraw/zinc/50/51/78/555505178.db2.gz IBNZAEYCFRWOOS-UHFFFAOYSA-N 1 0 364.421 2.257 20 5 FEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000365227226 555516076 /nfs/dbraw/zinc/51/60/76/555516076.db2.gz YMVZTWWKIYNEAB-YJBOKZPZSA-N 1 0 355.394 2.079 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000365340197 555548683 /nfs/dbraw/zinc/54/86/83/555548683.db2.gz NRWBVGDRAPOGAG-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365507184 555593986 /nfs/dbraw/zinc/59/39/86/555593986.db2.gz GVUZGFPFHWPNFL-ZBFHGGJFSA-N 1 0 363.462 2.465 20 5 FEBDRO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365509253 555594793 /nfs/dbraw/zinc/59/47/93/555594793.db2.gz JHFUIHIZJRICOP-CQSZACIVSA-N 1 0 369.425 2.406 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000365510765 555595039 /nfs/dbraw/zinc/59/50/39/555595039.db2.gz TWQNKQSOCBCCSF-OCAPTIKFSA-N 1 0 360.233 2.052 20 5 FEBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365516486 555596721 /nfs/dbraw/zinc/59/67/21/555596721.db2.gz ROKYLKFCSOMILW-HNNXBMFYSA-N 1 0 371.441 2.442 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513419577 561937553 /nfs/dbraw/zinc/93/75/53/561937553.db2.gz IPCKIWKSKLZIIU-UKRRQHHQSA-N 1 0 357.414 2.443 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365854948 555684291 /nfs/dbraw/zinc/68/42/91/555684291.db2.gz JASQSSUVQXBLEH-OAHLLOKOSA-N 1 0 357.414 2.330 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866126 561952908 /nfs/dbraw/zinc/95/29/08/561952908.db2.gz NZRDOARSWQPSPF-HZMVEIRTSA-N 1 0 357.410 2.247 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000366495585 555860418 /nfs/dbraw/zinc/86/04/18/555860418.db2.gz XJEQDKKTIUSWKV-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366565354 555877172 /nfs/dbraw/zinc/87/71/72/555877172.db2.gz UQEFCFNDZHIOTA-HIFRSBDPSA-N 1 0 365.434 2.123 20 5 FEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000367358624 556027164 /nfs/dbraw/zinc/02/71/64/556027164.db2.gz MURYDDHOSPCMHS-UHFFFAOYSA-N 1 0 358.442 2.411 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000367652112 556105777 /nfs/dbraw/zinc/10/57/77/556105777.db2.gz AJDRTCNZLCETGK-GDBMZVCRSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954900 556181443 /nfs/dbraw/zinc/18/14/43/556181443.db2.gz FIXZHJUKMSZLIY-SJORKVTESA-N 1 0 350.415 2.403 20 5 FEBDRO COc1ccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954897 556181453 /nfs/dbraw/zinc/18/14/53/556181453.db2.gz FIXZHJUKMSZLIY-DLBZAZTESA-N 1 0 350.415 2.403 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368055231 556206025 /nfs/dbraw/zinc/20/60/25/556206025.db2.gz HMMVUUYBVWHGRF-SFHVURJKSA-N 1 0 365.430 2.272 20 5 FEBDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ncc([N+](=O)[O-])cn1 ZINC000368190761 556243751 /nfs/dbraw/zinc/24/37/51/556243751.db2.gz WMQPVPLXLGMUSR-UHFFFAOYSA-N 1 0 362.478 2.017 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000368389381 556294581 /nfs/dbraw/zinc/29/45/81/556294581.db2.gz WHFXOSNCIFPUPG-CQSZACIVSA-N 1 0 352.822 2.167 20 5 FEBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662681 556377864 /nfs/dbraw/zinc/37/78/64/556377864.db2.gz JZSYPRCXTNZOPP-ROUUACIJSA-N 1 0 374.441 2.399 20 5 FEBDRO CC[C@@H]1CCCCN1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467795 562011602 /nfs/dbraw/zinc/01/16/02/562011602.db2.gz OXGDXPYGAJGNAZ-CVEARBPZSA-N 1 0 351.447 2.189 20 5 FEBDRO Cc1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000368947625 556456520 /nfs/dbraw/zinc/45/65/20/556456520.db2.gz YDUZKOGJHGGOAL-UHFFFAOYSA-N 1 0 358.402 2.230 20 5 FEBDRO Cc1c(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000515704462 562019776 /nfs/dbraw/zinc/01/97/76/562019776.db2.gz ZUNJMCVFBJIPMF-AWEZNQCLSA-N 1 0 367.471 2.197 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000369014166 556476424 /nfs/dbraw/zinc/47/64/24/556476424.db2.gz VSAQGHYJVIEJPC-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)COCc3cccs3)C2)c1 ZINC000369020331 556478595 /nfs/dbraw/zinc/47/85/95/556478595.db2.gz WQRMFNICTULHIP-UKRRQHHQSA-N 1 0 366.443 2.067 20 5 FEBDRO Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000369310988 556571037 /nfs/dbraw/zinc/57/10/37/556571037.db2.gz SZJIWAUYGYTTDQ-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H]1c1cccs1 ZINC000369560297 556631277 /nfs/dbraw/zinc/63/12/77/556631277.db2.gz GBIQADBWCOEUKB-HZMBPMFUSA-N 1 0 361.427 2.255 20 5 FEBDRO O=C1[C@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582491 556638345 /nfs/dbraw/zinc/63/83/45/556638345.db2.gz BNIJZFKZIOSGAQ-ZWKOTPCHSA-N 1 0 358.442 2.260 20 5 FEBDRO C[C@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000369661523 556661853 /nfs/dbraw/zinc/66/18/53/556661853.db2.gz CAANJVWBQYIMAB-ZDUSSCGKSA-N 1 0 372.429 2.941 20 5 FEBDRO COc1cccc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369683577 556667855 /nfs/dbraw/zinc/66/78/55/556667855.db2.gz MWKPFTUNEHHQKA-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000516354952 562040667 /nfs/dbraw/zinc/04/06/67/562040667.db2.gz CONQRLNZDGTYDX-SWLSCSKDSA-N 1 0 351.451 2.129 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370005493 556755811 /nfs/dbraw/zinc/75/58/11/556755811.db2.gz GBNLJIIZIGUVQC-KGLIPLIRSA-N 1 0 357.414 2.220 20 5 FEBDRO O=C1NC(=O)C2(CCC([NH2+]CCCCc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000516742379 562055993 /nfs/dbraw/zinc/05/59/93/562055993.db2.gz FRUZONVYMQGJBZ-UHFFFAOYSA-N 1 0 360.414 2.028 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000370406534 556863025 /nfs/dbraw/zinc/86/30/25/556863025.db2.gz NIHLMGWNFPYJDY-LJQANCHMSA-N 1 0 374.441 2.176 20 5 FEBDRO CC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[NH+](Cc2ccccc2)C1 ZINC000370427797 556869904 /nfs/dbraw/zinc/86/99/04/556869904.db2.gz JCUXRQQNTJVPKF-UHFFFAOYSA-N 1 0 354.410 2.429 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000370540991 556903747 /nfs/dbraw/zinc/90/37/47/556903747.db2.gz ZNADAMAILTYMDN-UHFFFAOYSA-N 1 0 354.410 2.427 20 5 FEBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938187 562066012 /nfs/dbraw/zinc/06/60/12/562066012.db2.gz UAJIPUVXMSWAKY-SJLPKXTDSA-N 1 0 360.458 2.114 20 5 FEBDRO Cc1c(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814160 556976333 /nfs/dbraw/zinc/97/63/33/556976333.db2.gz HZKNCZJEFCAZBX-GOSISDBHSA-N 1 0 374.485 2.073 20 5 FEBDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370828834 556982092 /nfs/dbraw/zinc/98/20/92/556982092.db2.gz BNDMGZSDRKXYCL-OAHLLOKOSA-N 1 0 354.410 2.371 20 5 FEBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830450 556982796 /nfs/dbraw/zinc/98/27/96/556982796.db2.gz NHJDQUVLAPJWQJ-MTCRFPMVSA-N 1 0 372.469 2.235 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370926496 557019113 /nfs/dbraw/zinc/01/91/13/557019113.db2.gz BKJOOSWYBJOUCE-WMLDXEAASA-N 1 0 357.414 2.141 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221582 557111163 /nfs/dbraw/zinc/11/11/63/557111163.db2.gz XUSSZZASIGHLFL-WMLDXEAASA-N 1 0 360.458 2.001 20 5 FEBDRO CN1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518431028 562111348 /nfs/dbraw/zinc/11/13/48/562111348.db2.gz OEOMLFFPGSAEQF-UHFFFAOYSA-N 1 0 356.386 2.386 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372353848 557448189 /nfs/dbraw/zinc/44/81/89/557448189.db2.gz BCXCKQPCZKBTBA-APWZRJJASA-N 1 0 374.485 2.012 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CCC[NH2+]CC1 ZINC000372422418 557466328 /nfs/dbraw/zinc/46/63/28/557466328.db2.gz PXYBLZVWGUMGOR-NSHDSACASA-N 1 0 356.220 2.158 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558144 557504577 /nfs/dbraw/zinc/50/45/77/557504577.db2.gz RINQHSXJNNTAEV-LIRRHRJNSA-N 1 0 374.441 2.175 20 5 FEBDRO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372607330 557519239 /nfs/dbraw/zinc/51/92/39/557519239.db2.gz UJQOVQTVXODDCR-HNNXBMFYSA-N 1 0 363.418 2.108 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000372613626 557521055 /nfs/dbraw/zinc/52/10/55/557521055.db2.gz RSLFSCOPNOHYKA-QGZVFWFLSA-N 1 0 360.389 2.375 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CC([NH+]2CCCCC2)C1 ZINC000373004255 557608171 /nfs/dbraw/zinc/60/81/71/557608171.db2.gz WCJKCMOVVOAVSL-UHFFFAOYSA-N 1 0 351.378 2.246 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373155700 557640539 /nfs/dbraw/zinc/64/05/39/557640539.db2.gz TUBQBWAECPDIDI-APWZRJJASA-N 1 0 372.425 2.423 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000521030998 562168019 /nfs/dbraw/zinc/16/80/19/562168019.db2.gz LZMIYKGLPHEPLX-UKRRQHHQSA-N 1 0 352.456 2.457 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000374372901 557873684 /nfs/dbraw/zinc/87/36/84/557873684.db2.gz GBRZZHKPRHRRAY-VXGBXAGGSA-N 1 0 352.366 2.027 20 5 FEBDRO C[C@@]1(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)NC(=O)NC1=O ZINC000374709156 557919737 /nfs/dbraw/zinc/91/97/37/557919737.db2.gz GIOYHPUIJPTZGA-INIZCTEOSA-N 1 0 366.805 2.058 20 5 FEBDRO CCN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)sc2C1 ZINC000374773213 557929084 /nfs/dbraw/zinc/92/90/84/557929084.db2.gz DRWBUOMKGPUTEQ-UHFFFAOYSA-N 1 0 365.390 2.403 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871253 557944267 /nfs/dbraw/zinc/94/42/67/557944267.db2.gz CPUKKCLBBMETKG-KDOFPFPSSA-N 1 0 360.458 2.378 20 5 FEBDRO Nc1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000374884887 557945846 /nfs/dbraw/zinc/94/58/46/557945846.db2.gz XPEJJTQZOSQWJK-DZGCQCFKSA-N 1 0 358.373 2.192 20 5 FEBDRO C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883178 557945886 /nfs/dbraw/zinc/94/58/86/557945886.db2.gz RLPBFJVDSGYPBP-VQIMIIECSA-N 1 0 373.457 2.013 20 5 FEBDRO COc1cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121694 557980776 /nfs/dbraw/zinc/98/07/76/557980776.db2.gz UGDNKJIQEGSXOF-CABCVRRESA-N 1 0 367.421 2.164 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1C ZINC000375275171 558002778 /nfs/dbraw/zinc/00/27/78/558002778.db2.gz MIAICZKEWROQSE-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375279609 558003496 /nfs/dbraw/zinc/00/34/96/558003496.db2.gz OFHUIOHNBMOWCO-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377546 558017675 /nfs/dbraw/zinc/01/76/75/558017675.db2.gz GGDOAQOMOLZQSR-LSDHHAIUSA-N 1 0 364.450 2.012 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375727923 558073787 /nfs/dbraw/zinc/07/37/87/558073787.db2.gz VWCCPRWCEUCWIM-QGZVFWFLSA-N 1 0 365.434 2.267 20 5 FEBDRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375968308 558107222 /nfs/dbraw/zinc/10/72/22/558107222.db2.gz LKOQMEIWHHDCKW-AWEZNQCLSA-N 1 0 357.414 2.399 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000521620311 562180431 /nfs/dbraw/zinc/18/04/31/562180431.db2.gz FYMBKNGRZMCUTL-KYJSFNMBSA-N 1 0 350.415 2.226 20 5 FEBDRO COc1ccc(OCCN2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128767 558130516 /nfs/dbraw/zinc/13/05/16/558130516.db2.gz HBZAUJDCEWQPKJ-KBXCAEBGSA-N 1 0 366.414 2.252 20 5 FEBDRO COCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000521995493 562188403 /nfs/dbraw/zinc/18/84/03/562188403.db2.gz HWLQZWHHLAXTKK-UHFFFAOYSA-N 1 0 356.444 2.165 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862800 558437284 /nfs/dbraw/zinc/43/72/84/558437284.db2.gz ZEDZJFPIJLSEGV-WDEREUQCSA-N 1 0 354.794 2.233 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000377874312 558439388 /nfs/dbraw/zinc/43/93/88/558439388.db2.gz MXBRXBHGMGSCNY-JSGCOSHPSA-N 1 0 368.821 2.311 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000378222774 558505584 /nfs/dbraw/zinc/50/55/84/558505584.db2.gz IBTSWTIWLKYGCT-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccccc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000523287263 562210493 /nfs/dbraw/zinc/21/04/93/562210493.db2.gz UVWPFERSAVXSAQ-UHFFFAOYSA-N 1 0 371.441 2.307 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1C ZINC000397273368 558624292 /nfs/dbraw/zinc/62/42/92/558624292.db2.gz OUSGDBFZRIYHAU-OBJOEFQTSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1C ZINC000405319458 558632588 /nfs/dbraw/zinc/63/25/88/558632588.db2.gz TUFSLJXNINXMMI-NHYWBVRUSA-N 1 0 355.460 2.350 20 5 FEBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408086232 558644743 /nfs/dbraw/zinc/64/47/43/558644743.db2.gz HJFFDAILOFVIIG-GJZGRUSLSA-N 1 0 360.458 2.362 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)C2CC[NH+](CC)CC2)cc([N+](=O)[O-])c1 ZINC000524346097 562227240 /nfs/dbraw/zinc/22/72/40/562227240.db2.gz RGPFDWKURWOJKZ-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO Cc1ccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524394804 562227928 /nfs/dbraw/zinc/22/79/28/562227928.db2.gz MWTSBSOUFJOPMI-IBGZPJMESA-N 1 0 355.394 2.479 20 5 FEBDRO C[NH+](C)C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000525032124 562239490 /nfs/dbraw/zinc/23/94/90/562239490.db2.gz JIRYFYSEZXLQSI-UHFFFAOYSA-N 1 0 369.421 2.189 20 5 FEBDRO C[NH+](C)C1(CNC(=O)COc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000525030582 562239492 /nfs/dbraw/zinc/23/94/92/562239492.db2.gz FBKNIUWSZKRVDT-UHFFFAOYSA-N 1 0 369.421 2.189 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000411262824 558863012 /nfs/dbraw/zinc/86/30/12/558863012.db2.gz IJHSLGGSMLDLGM-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000411306237 558873069 /nfs/dbraw/zinc/87/30/69/558873069.db2.gz YRLIWNNMPFJEFA-DZGCQCFKSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411365808 558885912 /nfs/dbraw/zinc/88/59/12/558885912.db2.gz XQTCYRAFQQYZPP-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411401366 558888132 /nfs/dbraw/zinc/88/81/32/558888132.db2.gz XHYDFKMEGQXKRA-MLGOLLRUSA-N 1 0 351.403 2.025 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424715 558892672 /nfs/dbraw/zinc/89/26/72/558892672.db2.gz LLTMVTUZTDKJTL-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1F ZINC000411473576 558901121 /nfs/dbraw/zinc/90/11/21/558901121.db2.gz OZRKWIGPIJBIEU-RYUDHWBXSA-N 1 0 351.378 2.028 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000411480930 558902345 /nfs/dbraw/zinc/90/23/45/558902345.db2.gz YUKHSEOMGSMJAR-ZOCIIQOWSA-N 1 0 373.453 2.410 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411849055 558975864 /nfs/dbraw/zinc/97/58/64/558975864.db2.gz NZNFJTNTZZOXHY-KRWDZBQOSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411974386 558997846 /nfs/dbraw/zinc/99/78/46/558997846.db2.gz UARUKEFOFDHJEA-LJQANCHMSA-N 1 0 355.394 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412067651 559009138 /nfs/dbraw/zinc/00/91/38/559009138.db2.gz DWGYNTNCCLMNKV-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1F ZINC000412121379 559015530 /nfs/dbraw/zinc/01/55/30/559015530.db2.gz FIOKNKOXXLNAJU-NWDGAFQWSA-N 1 0 353.394 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC2(C)CC[NH+](C)CC2)c1F ZINC000412251232 559022834 /nfs/dbraw/zinc/02/28/34/559022834.db2.gz NDDHAKGZYDQKOL-UHFFFAOYSA-N 1 0 353.394 2.133 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413150891 559083407 /nfs/dbraw/zinc/08/34/07/559083407.db2.gz XTNNOBJCYXYVID-UHFFFAOYSA-N 1 0 361.368 2.082 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000413773241 559129588 /nfs/dbraw/zinc/12/95/88/559129588.db2.gz NUFXHXFESFHBJH-UHFFFAOYSA-N 1 0 355.410 2.475 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000413971091 559144092 /nfs/dbraw/zinc/14/40/92/559144092.db2.gz AVLVJIUQDARUBP-NVXWUHKLSA-N 1 0 373.409 2.455 20 5 FEBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199034 559152821 /nfs/dbraw/zinc/15/28/21/559152821.db2.gz YSKAOPJZVPXHPV-AEFFLSMTSA-N 1 0 364.442 2.472 20 5 FEBDRO COCC(COC)[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000414469417 559166764 /nfs/dbraw/zinc/16/67/64/559166764.db2.gz GANPQXDZSBDZDL-LFIBNONCSA-N 1 0 363.458 2.277 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414514691 559169628 /nfs/dbraw/zinc/16/96/28/559169628.db2.gz MDIAFRHRCDUWAM-SCRDCRAPSA-N 1 0 352.387 2.050 20 5 FEBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953367 559196919 /nfs/dbraw/zinc/19/69/19/559196919.db2.gz RLVJZLUJNQELKH-LDYMZIIASA-N 1 0 374.344 2.431 20 5 FEBDRO COc1ccc(-c2ccc(CNC[C@H]3C[NH2+]CCCO3)o2)c([N+](=O)[O-])c1 ZINC000415037454 559201960 /nfs/dbraw/zinc/20/19/60/559201960.db2.gz LFDPTLRBOZMXHE-OAHLLOKOSA-N 1 0 361.398 2.332 20 5 FEBDRO COC(=O)COc1ccc(CN2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000415140754 559208091 /nfs/dbraw/zinc/20/80/91/559208091.db2.gz UWBUJWSFIRTRIG-OAHLLOKOSA-N 1 0 371.393 2.037 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415829833 559276198 /nfs/dbraw/zinc/27/61/98/559276198.db2.gz DAEREFRTLGBFPN-HNNXBMFYSA-N 1 0 370.409 2.220 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415971946 559286141 /nfs/dbraw/zinc/28/61/41/559286141.db2.gz KRGOGVBGUHYAFG-UHFFFAOYSA-N 1 0 371.397 2.310 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415978902 559286883 /nfs/dbraw/zinc/28/68/83/559286883.db2.gz WAGSIAWRSSHPFK-UHFFFAOYSA-N 1 0 356.382 2.441 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000416289740 559302869 /nfs/dbraw/zinc/30/28/69/559302869.db2.gz KHQWSISQIHZYGC-UHFFFAOYSA-N 1 0 371.441 2.280 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409008 559310837 /nfs/dbraw/zinc/31/08/37/559310837.db2.gz TVJMLSKDQGJGHW-KGLIPLIRSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000416429734 559312390 /nfs/dbraw/zinc/31/23/90/559312390.db2.gz ZXAFZEOBZYVKHJ-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1C ZINC000416503045 559318342 /nfs/dbraw/zinc/31/83/42/559318342.db2.gz UDVQDCDOYZALIH-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H](C[NH3+])N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416895596 559336923 /nfs/dbraw/zinc/33/69/23/559336923.db2.gz UQPUQTXEOGYGMJ-SECBINFHSA-N 1 0 363.340 2.014 20 5 FEBDRO C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417136893 559349548 /nfs/dbraw/zinc/34/95/48/559349548.db2.gz LMKOKKSGYVPNMD-JLZZUVOBSA-N 1 0 362.430 2.194 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000417177100 559351543 /nfs/dbraw/zinc/35/15/43/559351543.db2.gz CPQSZZSPENWVSL-CQSZACIVSA-N 1 0 350.419 2.310 20 5 FEBDRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417236498 559354268 /nfs/dbraw/zinc/35/42/68/559354268.db2.gz UNSUUTXTTQDSEH-UHFFFAOYSA-N 1 0 357.414 2.011 20 5 FEBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417329932 559357960 /nfs/dbraw/zinc/35/79/60/559357960.db2.gz KJHIECSMVFBXMB-QGZVFWFLSA-N 1 0 367.471 2.233 20 5 FEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000418090899 559389832 /nfs/dbraw/zinc/38/98/32/559389832.db2.gz OPSJSEILFLOOJH-NOZJJQNGSA-N 1 0 360.336 2.492 20 5 FEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418597757 559407347 /nfs/dbraw/zinc/40/73/47/559407347.db2.gz YHQAUPWUXJBGAX-KBPBESRZSA-N 1 0 362.430 2.418 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000418612774 559407847 /nfs/dbraw/zinc/40/78/47/559407847.db2.gz VYJXZPNWXFIZNR-UONOGXRCSA-N 1 0 362.430 2.288 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419338385 559438054 /nfs/dbraw/zinc/43/80/54/559438054.db2.gz ZGADHTVWLWGWHH-CABCVRRESA-N 1 0 351.447 2.269 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420007317 559468687 /nfs/dbraw/zinc/46/86/87/559468687.db2.gz CHPNTOWINQGLIF-MRXNPFEDSA-N 1 0 355.460 2.139 20 5 FEBDRO C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420262720 559478013 /nfs/dbraw/zinc/47/80/13/559478013.db2.gz RWVDWDDXIXMCRW-JSGCOSHPSA-N 1 0 357.414 2.123 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CN)C1CCCCC1 ZINC000420370265 559483426 /nfs/dbraw/zinc/48/34/26/559483426.db2.gz OWFWVTUBAKTFGE-INIZCTEOSA-N 1 0 364.446 2.429 20 5 FEBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420388360 559484691 /nfs/dbraw/zinc/48/46/91/559484691.db2.gz WUEKSQFKXCVSAE-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@H](CCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420433247 559487159 /nfs/dbraw/zinc/48/71/59/559487159.db2.gz CJLMSYFSKFSHBL-SSDOTTSWSA-N 1 0 356.231 2.307 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000420461063 559488667 /nfs/dbraw/zinc/48/86/67/559488667.db2.gz LNVWJEHOOFCKBC-OAHLLOKOSA-N 1 0 363.439 2.444 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421019886 559519967 /nfs/dbraw/zinc/51/99/67/559519967.db2.gz QGYWGTRLKVTADA-CQSZACIVSA-N 1 0 365.430 2.417 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421549881 559545043 /nfs/dbraw/zinc/54/50/43/559545043.db2.gz HBTGYLLAPAZABG-UHFFFAOYSA-N 1 0 362.474 2.358 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000421707181 559550276 /nfs/dbraw/zinc/55/02/76/559550276.db2.gz WSOAGVKXUDZUOC-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000421741891 559551370 /nfs/dbraw/zinc/55/13/70/559551370.db2.gz QGGYXEKGKQYXBY-UHFFFAOYSA-N 1 0 360.458 2.065 20 5 FEBDRO COC1([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421843670 559554899 /nfs/dbraw/zinc/55/48/99/559554899.db2.gz RCYAJWNOMKVRCQ-ZDUSSCGKSA-N 1 0 356.444 2.306 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000421921665 559556824 /nfs/dbraw/zinc/55/68/24/559556824.db2.gz ZKTWGNDJZKYMJA-UHFFFAOYSA-N 1 0 350.463 2.167 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422780471 559606349 /nfs/dbraw/zinc/60/63/49/559606349.db2.gz HOWJUKSASWWFJX-LBPRGKRZSA-N 1 0 357.360 2.441 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081615 559618034 /nfs/dbraw/zinc/61/80/34/559618034.db2.gz DJMZHQFRFMHSML-CABCVRRESA-N 1 0 359.348 2.470 20 5 FEBDRO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423608212 559633800 /nfs/dbraw/zinc/63/38/00/559633800.db2.gz KJXRGCQMZZUTRI-LSDHHAIUSA-N 1 0 357.414 2.130 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000423686445 559635887 /nfs/dbraw/zinc/63/58/87/559635887.db2.gz UMILGNUVJOXEIU-QMMMGPOBSA-N 1 0 353.778 2.439 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)C[NH3+] ZINC000423979924 559648756 /nfs/dbraw/zinc/64/87/56/559648756.db2.gz CPJCBLJIMDDNIV-KZULUSFZSA-N 1 0 357.414 2.052 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000423999438 559650064 /nfs/dbraw/zinc/65/00/64/559650064.db2.gz KGUKKCLZJDVLKM-ZBFHGGJFSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC000424075778 559653930 /nfs/dbraw/zinc/65/39/30/559653930.db2.gz PROUCWPBPRDENH-MGPQQGTHSA-N 1 0 357.414 2.226 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425356113 559697932 /nfs/dbraw/zinc/69/79/32/559697932.db2.gz VXLAXTFLAHYCKP-KRWDZBQOSA-N 1 0 367.413 2.424 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427979408 559766823 /nfs/dbraw/zinc/76/68/23/559766823.db2.gz OQHVYFQTYFNRPC-UHFFFAOYSA-N 1 0 367.471 2.391 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429180828 559792531 /nfs/dbraw/zinc/79/25/31/559792531.db2.gz YHRRKYMVFIYFHW-WCQYABFASA-N 1 0 353.444 2.032 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000430384493 559819155 /nfs/dbraw/zinc/81/91/55/559819155.db2.gz GBZMSHZVUVFIAD-GFCCVEGCSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2C)n(C2CC[NH+](C)CC2)n1 ZINC000430447293 559820244 /nfs/dbraw/zinc/82/02/44/559820244.db2.gz FHFLJQUPGJOFBB-UHFFFAOYSA-N 1 0 358.402 2.322 20 5 FEBDRO C[C@@](C[NH3+])(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000430552191 559822444 /nfs/dbraw/zinc/82/24/44/559822444.db2.gz MYSUIBNBRSYKNO-AWEZNQCLSA-N 1 0 371.235 2.013 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431017033 559832395 /nfs/dbraw/zinc/83/23/95/559832395.db2.gz ZCVRURAKRZVKBO-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000431172267 559835473 /nfs/dbraw/zinc/83/54/73/559835473.db2.gz WHYFMIFLDWTRQM-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000433999393 559892410 /nfs/dbraw/zinc/89/24/10/559892410.db2.gz NNWBKRUKVBVIDB-ROISZYCASA-N 1 0 369.425 2.434 20 5 FEBDRO COc1cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370056 559921501 /nfs/dbraw/zinc/92/15/01/559921501.db2.gz HGGOKHDCSIHTHW-WDEREUQCSA-N 1 0 359.373 2.416 20 5 FEBDRO COc1cc(CN(C)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435381598 559921748 /nfs/dbraw/zinc/92/17/48/559921748.db2.gz UWEQDYMUTMPANJ-SECBINFHSA-N 1 0 351.325 2.324 20 5 FEBDRO C[NH2+]C[C@H]1CCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000435382511 559921934 /nfs/dbraw/zinc/92/19/34/559921934.db2.gz DMBAXTSPGLDLQT-GFCCVEGCSA-N 1 0 359.373 2.431 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C ZINC000436717756 559949833 /nfs/dbraw/zinc/94/98/33/559949833.db2.gz CVOFTGJVDXQYJU-OAHLLOKOSA-N 1 0 357.414 2.009 20 5 FEBDRO COc1cccc([C@@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000439127346 559988868 /nfs/dbraw/zinc/98/88/68/559988868.db2.gz AUWBLBOLQYTFFH-MRXNPFEDSA-N 1 0 358.398 2.417 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000439638186 559998470 /nfs/dbraw/zinc/99/84/70/559998470.db2.gz VCSRUHHPLIKPMQ-VQISRLSMSA-N 1 0 351.403 2.334 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000439824348 560000303 /nfs/dbraw/zinc/00/03/03/560000303.db2.gz UTCVOSMTBZSJQT-CQSZACIVSA-N 1 0 370.331 2.450 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441642630 560036820 /nfs/dbraw/zinc/03/68/20/560036820.db2.gz HGAVSQZTTNAQME-ZIAGYGMSSA-N 1 0 361.398 2.251 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000445064467 560127844 /nfs/dbraw/zinc/12/78/44/560127844.db2.gz DQNJFXKMCCCYMR-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000447245993 560158733 /nfs/dbraw/zinc/15/87/33/560158733.db2.gz OAURAKFHYGVHBG-SFYZADRCSA-N 1 0 368.242 2.259 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709896 560195504 /nfs/dbraw/zinc/19/55/04/560195504.db2.gz RVECXYBLSINJSB-RHSMWYFYSA-N 1 0 355.398 2.342 20 5 FEBDRO Cc1cccc(CC[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000449145054 560217896 /nfs/dbraw/zinc/21/78/96/560217896.db2.gz VQROYIDSKRNJQA-UHFFFAOYSA-N 1 0 363.439 2.014 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170266 560218957 /nfs/dbraw/zinc/21/89/57/560218957.db2.gz GAQUVOMLTUGRIO-HIFRSBDPSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccnn2C)C1=O ZINC000449279927 560223370 /nfs/dbraw/zinc/22/33/70/560223370.db2.gz UPCZRQGBEVUQAW-ZFWWWQNUSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000449322811 560225217 /nfs/dbraw/zinc/22/52/17/560225217.db2.gz QPAAWRCKNQNBIH-BMFZPTHFSA-N 1 0 369.487 2.223 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449522359 560232625 /nfs/dbraw/zinc/23/26/25/560232625.db2.gz WEWVJIRUUGQQOD-GXFFZTMASA-N 1 0 357.357 2.341 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000449711966 560237834 /nfs/dbraw/zinc/23/78/34/560237834.db2.gz PUNJLRVTESNPOP-WBVHZDCISA-N 1 0 371.441 2.314 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449727264 560238375 /nfs/dbraw/zinc/23/83/75/560238375.db2.gz PCEKASJCEPMZDN-KOLCDFICSA-N 1 0 356.220 2.143 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449998766 560247731 /nfs/dbraw/zinc/24/77/31/560247731.db2.gz ZAWQVVHTDQAIBW-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450052201 560249326 /nfs/dbraw/zinc/24/93/26/560249326.db2.gz KSQAAVVPIQCBLU-LSDHHAIUSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000450471885 560263479 /nfs/dbraw/zinc/26/34/79/560263479.db2.gz DLKWLBWAECUWKU-ZDUSSCGKSA-N 1 0 360.414 2.045 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)nc1-c1ccccc1 ZINC000450610779 560268058 /nfs/dbraw/zinc/26/80/58/560268058.db2.gz HHOIBAUBTOEWLP-INIZCTEOSA-N 1 0 356.426 2.916 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc1-c1ccc(F)cc1 ZINC000450617499 560268239 /nfs/dbraw/zinc/26/82/39/560268239.db2.gz RBQRQSULCNISTP-MRXNPFEDSA-N 1 0 374.416 3.055 20 5 FEBDRO Nc1nc(-n2cccn2)cc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH+]1 ZINC000450771902 560272883 /nfs/dbraw/zinc/27/28/83/560272883.db2.gz ZGLPHFQMIMWJLI-AWEZNQCLSA-N 1 0 365.397 2.537 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000450948147 560279583 /nfs/dbraw/zinc/27/95/83/560279583.db2.gz DRGWWICFPISOFH-HNNXBMFYSA-N 1 0 371.441 2.478 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451475785 560309265 /nfs/dbraw/zinc/30/92/65/560309265.db2.gz DELBVUMHRZAPGS-WRFANHODSA-N 1 0 350.415 2.128 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451490233 560310138 /nfs/dbraw/zinc/31/01/38/560310138.db2.gz LLDVRNXPCFWRTD-KBRIMQKVSA-N 1 0 373.409 2.440 20 5 FEBDRO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548099 560313817 /nfs/dbraw/zinc/31/38/17/560313817.db2.gz MTQXUUNWAHKESR-HNNXBMFYSA-N 1 0 374.441 2.495 20 5 FEBDRO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549626 560314127 /nfs/dbraw/zinc/31/41/27/560314127.db2.gz PTJLHMAHDHFRHT-LESCRADOSA-N 1 0 352.431 2.187 20 5 FEBDRO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549674 560314156 /nfs/dbraw/zinc/31/41/56/560314156.db2.gz QBTIQQSGQLOMRH-GDBMZVCRSA-N 1 0 367.471 2.056 20 5 FEBDRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553148 560314300 /nfs/dbraw/zinc/31/43/00/560314300.db2.gz XPSXXJWIVXQKCB-HNNXBMFYSA-N 1 0 355.460 2.104 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560103 560314711 /nfs/dbraw/zinc/31/47/11/560314711.db2.gz HVENEAWWTMUBRK-LRDDRELGSA-N 1 0 351.403 2.289 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](CC)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000451734059 560325573 /nfs/dbraw/zinc/32/55/73/560325573.db2.gz WJJOSBUDCVCIOS-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[C@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836864 560331567 /nfs/dbraw/zinc/33/15/67/560331567.db2.gz HCWHOUZCVOCXHK-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452028135 560346395 /nfs/dbraw/zinc/34/63/95/560346395.db2.gz BXMOSGKHCRRQSZ-UHFFFAOYSA-N 1 0 374.363 2.152 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+](C2CC2)C1 ZINC000452164452 560354207 /nfs/dbraw/zinc/35/42/07/560354207.db2.gz NVGZPUBEGFDBPC-CQSZACIVSA-N 1 0 369.425 2.337 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nc(-c3ccccn3)n[nH]2)n1 ZINC000453346392 560385596 /nfs/dbraw/zinc/38/55/96/560385596.db2.gz IAWZNEWWDNUORB-JSGCOSHPSA-N 1 0 368.401 2.245 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456055697 560505651 /nfs/dbraw/zinc/50/56/51/560505651.db2.gz TVXGZIKUWWYWMO-DZGCQCFKSA-N 1 0 369.425 2.424 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092309 560548515 /nfs/dbraw/zinc/54/85/15/560548515.db2.gz XCMNCUBZTQABHA-UHFFFAOYSA-N 1 0 362.352 2.422 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457904069 560593207 /nfs/dbraw/zinc/59/32/07/560593207.db2.gz RHWKSCQGAVJEIP-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1c(C)nn(C)c1C ZINC000459570721 560694527 /nfs/dbraw/zinc/69/45/27/560694527.db2.gz NKCHFJYZUQICPA-UHFFFAOYSA-N 1 0 362.430 2.473 20 5 FEBDRO CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459601359 560697117 /nfs/dbraw/zinc/69/71/17/560697117.db2.gz XKKGBYBFUQLHBJ-MRXNPFEDSA-N 1 0 362.430 2.226 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000459714376 560703892 /nfs/dbraw/zinc/70/38/92/560703892.db2.gz OMKGYAOJFBYFKJ-HYXAFXHYSA-N 1 0 361.442 2.079 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000467545380 560912230 /nfs/dbraw/zinc/91/22/30/560912230.db2.gz BXKFPTBAFSUFHP-SFHVURJKSA-N 1 0 366.414 2.395 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])cc1 ZINC000467983529 560920628 /nfs/dbraw/zinc/92/06/28/560920628.db2.gz LKMKXNNFPOSLND-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO COc1cc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000468881500 560941313 /nfs/dbraw/zinc/94/13/13/560941313.db2.gz IDXYDMXHHVMBCH-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC000469486605 560956298 /nfs/dbraw/zinc/95/62/98/560956298.db2.gz WTWHPDRCKJDAOU-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000470063726 560973274 /nfs/dbraw/zinc/97/32/74/560973274.db2.gz AFNYKIQBFRNXAY-OAHLLOKOSA-N 1 0 374.441 2.167 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000470069544 560973508 /nfs/dbraw/zinc/97/35/08/560973508.db2.gz WCRYQONKHDBJOC-UHFFFAOYSA-N 1 0 350.810 2.189 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000470182979 560976289 /nfs/dbraw/zinc/97/62/89/560976289.db2.gz LJSAUMZJVZQDEN-KAMYIIQDSA-N 1 0 367.471 2.354 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470888449 560992895 /nfs/dbraw/zinc/99/28/95/560992895.db2.gz MNWOBYKSMBICED-UHFFFAOYSA-N 1 0 367.471 2.259 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000471563486 561007313 /nfs/dbraw/zinc/00/73/13/561007313.db2.gz PCSNDMODQSMGTM-AWEZNQCLSA-N 1 0 353.394 2.307 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccccc2OCCO)n1 ZINC000472620036 561031182 /nfs/dbraw/zinc/03/11/82/561031182.db2.gz GXEWEVOLHTYVKI-HOTGVXAUSA-N 1 0 360.414 2.436 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000474317943 561071165 /nfs/dbraw/zinc/07/11/65/561071165.db2.gz XTIIZJDWFJGZGB-XHDPSFHLSA-N 1 0 350.325 2.077 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350081 561071858 /nfs/dbraw/zinc/07/18/58/561071858.db2.gz AUHGNOWEISPFSO-QAPCUYQASA-N 1 0 366.414 2.440 20 5 FEBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000474367981 561072271 /nfs/dbraw/zinc/07/22/71/561072271.db2.gz IHIGYDIZEOCGMM-HNNXBMFYSA-N 1 0 366.414 2.441 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000474382133 561072892 /nfs/dbraw/zinc/07/28/92/561072892.db2.gz ZKSUFIRFDGSIMA-UHFFFAOYSA-N 1 0 363.370 2.084 20 5 FEBDRO Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000475055333 561089013 /nfs/dbraw/zinc/08/90/13/561089013.db2.gz VOPWOACZRPPGRW-KBPBESRZSA-N 1 0 353.423 2.092 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000476610215 561124216 /nfs/dbraw/zinc/12/42/16/561124216.db2.gz MEZYRTBXHMDELX-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000530829293 562425472 /nfs/dbraw/zinc/42/54/72/562425472.db2.gz JFJISKYKAKTIIF-OAHLLOKOSA-N 1 0 365.821 2.254 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000531067457 562433745 /nfs/dbraw/zinc/43/37/45/562433745.db2.gz XDYORXQHRXWBFQ-CYBMUJFWSA-N 1 0 365.821 2.323 20 5 FEBDRO CNc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000531252427 562439758 /nfs/dbraw/zinc/43/97/58/562439758.db2.gz BQBOKEKVQZLBAZ-ZIAGYGMSSA-N 1 0 364.446 2.256 20 5 FEBDRO CC1(C)CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000532011994 562463940 /nfs/dbraw/zinc/46/39/40/562463940.db2.gz WTQUUUQEJKHGHS-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144159 562468598 /nfs/dbraw/zinc/46/85/98/562468598.db2.gz YGOAIKHIWBEXEL-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000532202770 562470544 /nfs/dbraw/zinc/47/05/44/562470544.db2.gz ATKHDNBAHSYKQI-ZDUSSCGKSA-N 1 0 374.441 2.303 20 5 FEBDRO C[NH+](C)CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000532336777 562474554 /nfs/dbraw/zinc/47/45/54/562474554.db2.gz LERWKHGPHXQWEG-UHFFFAOYSA-N 1 0 364.446 2.489 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000533280213 562503713 /nfs/dbraw/zinc/50/37/13/562503713.db2.gz YOLVGCJNTUJGLO-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CC[NH+](C2CCOCC2)CC1 ZINC000534992035 562546989 /nfs/dbraw/zinc/54/69/89/562546989.db2.gz AGYVOSMGKOHCID-UHFFFAOYSA-N 1 0 358.398 2.013 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535695329 562564477 /nfs/dbraw/zinc/56/44/77/562564477.db2.gz XKXVYMVBBZKPFU-UHFFFAOYSA-N 1 0 373.457 2.080 20 5 FEBDRO CCC[C@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000535758041 562567008 /nfs/dbraw/zinc/56/70/08/562567008.db2.gz SZBYIYMGLGOOFG-HNNXBMFYSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H](C)O1 ZINC000536509285 562577312 /nfs/dbraw/zinc/57/73/12/562577312.db2.gz PPSTUXYJFJDVLG-CHWSQXEVSA-N 1 0 360.414 2.305 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000540858776 562594534 /nfs/dbraw/zinc/59/45/34/562594534.db2.gz NLXALCVSANRBHR-UHFFFAOYSA-N 1 0 371.441 2.447 20 5 FEBDRO CNc1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901371 562596168 /nfs/dbraw/zinc/59/61/68/562596168.db2.gz ZSJGADFPRNSOHX-WBVHZDCISA-N 1 0 354.410 2.464 20 5 FEBDRO [NH3+]C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000601965797 567889094 /nfs/dbraw/zinc/88/90/94/567889094.db2.gz ZGVBUYNPAZNXHK-HNNXBMFYSA-N 1 0 366.421 2.437 20 5 FEBDRO O=C(N1CCCCC1)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000603836884 568159679 /nfs/dbraw/zinc/15/96/79/568159679.db2.gz ZIDXGHBRJIFEDC-UHFFFAOYSA-N 1 0 362.430 2.197 20 5 FEBDRO CNc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000569160469 568300753 /nfs/dbraw/zinc/30/07/53/568300753.db2.gz JJJQQZVQUSNIDX-UHFFFAOYSA-N 1 0 352.460 2.194 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000569474897 568401749 /nfs/dbraw/zinc/40/17/49/568401749.db2.gz VJAICJMEECPWRI-NXEZZACHSA-N 1 0 373.356 2.452 20 5 FEBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000569920778 568436595 /nfs/dbraw/zinc/43/65/95/568436595.db2.gz MDHXDFMMRQOGEQ-BMGDILEWSA-N 1 0 350.415 2.129 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1c1ccccc1F ZINC000570442169 568476672 /nfs/dbraw/zinc/47/66/72/568476672.db2.gz WHZKUBNAGSZHGA-GXTWGEPZSA-N 1 0 373.340 2.030 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000570625290 568491992 /nfs/dbraw/zinc/49/19/92/568491992.db2.gz MISSSKRDVAXYGC-WCQYABFASA-N 1 0 351.403 2.344 20 5 FEBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)cc1 ZINC000736770648 598501733 /nfs/dbraw/zinc/50/17/33/598501733.db2.gz CXGVQJFYLVMUPS-UHFFFAOYSA-N 1 0 354.374 2.018 20 5 FEBDRO O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC000808057669 674439251 /nfs/dbraw/zinc/43/92/51/674439251.db2.gz ZVGUYXADWIAOGV-UHFFFAOYSA-N 1 0 353.806 2.370 20 5 FEBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@H+](C)Cc1ccccc1 ZINC000736027048 598676069 /nfs/dbraw/zinc/67/60/69/598676069.db2.gz WBSIVLJIBJOQNF-GFCCVEGCSA-N 1 0 368.401 2.102 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000561750026 674695509 /nfs/dbraw/zinc/69/55/09/674695509.db2.gz NEFMEYHKOALFHT-HUUCEWRRSA-N 1 0 369.487 2.221 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000562885696 674819780 /nfs/dbraw/zinc/81/97/80/674819780.db2.gz BFOUNUXOGVRIRA-BETUJISGSA-N 1 0 351.403 2.293 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000563149144 674848881 /nfs/dbraw/zinc/84/88/81/674848881.db2.gz GTMMYURUPJTDCB-CQSZACIVSA-N 1 0 352.387 2.146 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)cc1[N+](=O)[O-] ZINC000563445233 674889874 /nfs/dbraw/zinc/88/98/74/674889874.db2.gz AXVMTXFWQKHNPG-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035481 674904459 /nfs/dbraw/zinc/90/44/59/674904459.db2.gz LYSXWTAKJDVHTG-UHFFFAOYSA-N 1 0 353.803 2.006 20 5 FEBDRO Cc1cnc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001048607732 675011664 /nfs/dbraw/zinc/01/16/64/675011664.db2.gz KFQARNFFGZQHBU-KBUPBQIOSA-N 1 0 366.487 2.129 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816971978 675091624 /nfs/dbraw/zinc/09/16/24/675091624.db2.gz XJWACQLTRYTHHG-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+](C2CCC2)C1 ZINC000817021513 675093500 /nfs/dbraw/zinc/09/35/00/675093500.db2.gz KWDQFKOYHCYCQA-LLVKDONJSA-N 1 0 350.394 2.263 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000065978432 670435900 /nfs/dbraw/zinc/43/59/00/670435900.db2.gz NWALGZZGPPGLBS-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000817401197 675129397 /nfs/dbraw/zinc/12/93/97/675129397.db2.gz RNCDGCWIQUIOFK-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1Br ZINC000570273451 670688046 /nfs/dbraw/zinc/68/80/46/670688046.db2.gz MKNJPRNKASZNJW-ZDUSSCGKSA-N 1 0 369.219 2.013 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000089508951 670702561 /nfs/dbraw/zinc/70/25/61/670702561.db2.gz ISLYAJNTRCYUAL-UHFFFAOYSA-N 1 0 352.391 2.471 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000093008178 670747520 /nfs/dbraw/zinc/74/75/20/670747520.db2.gz UXLNJZHNGUANLP-VXGBXAGGSA-N 1 0 359.423 2.193 20 5 FEBDRO CC[C@H]1CCCCN1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571909881 670939467 /nfs/dbraw/zinc/93/94/67/670939467.db2.gz GRGZVNKCFGMHPZ-HNNXBMFYSA-N 1 0 369.487 2.223 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572028884 670952921 /nfs/dbraw/zinc/95/29/21/670952921.db2.gz JVULGYXVYGCJAR-PBHICJAKSA-N 1 0 370.471 2.409 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000573000714 671069876 /nfs/dbraw/zinc/06/98/76/671069876.db2.gz OZUUGJDLNKWEJF-ZYHUDNBSSA-N 1 0 357.357 2.246 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C(C2CCC2)C2CCC2)cc1 ZINC000573108612 671083835 /nfs/dbraw/zinc/08/38/35/671083835.db2.gz GZUGGSJSKOVBDD-UHFFFAOYSA-N 1 0 367.471 2.432 20 5 FEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000575089321 671297749 /nfs/dbraw/zinc/29/77/49/671297749.db2.gz CIPVSVZHZLLUQI-BZUAXINKSA-N 1 0 351.447 2.187 20 5 FEBDRO CCOc1cc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000578435193 671664825 /nfs/dbraw/zinc/66/48/25/671664825.db2.gz YJEXZJCEHNLPJC-QGZVFWFLSA-N 1 0 351.403 2.122 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000578521858 671671390 /nfs/dbraw/zinc/67/13/90/671671390.db2.gz PBNTUSGZKUOEBZ-OAHLLOKOSA-N 1 0 352.822 2.373 20 5 FEBDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578759942 671687961 /nfs/dbraw/zinc/68/79/61/671687961.db2.gz PZYRWPDDAIQMCB-UVBJJODRSA-N 1 0 368.821 2.171 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000579946033 671772040 /nfs/dbraw/zinc/77/20/40/671772040.db2.gz MERNYOQMHGYHOS-WCQYABFASA-N 1 0 351.403 2.249 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000609845996 675939159 /nfs/dbraw/zinc/93/91/59/675939159.db2.gz ULCCUUPJVSMSPP-UHFFFAOYSA-N 1 0 351.447 2.271 20 5 FEBDRO C[C@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000580555386 671817890 /nfs/dbraw/zinc/81/78/90/671817890.db2.gz PCJHVALKKSNZDD-DLBZAZTESA-N 1 0 368.455 2.163 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610134959 675955948 /nfs/dbraw/zinc/95/59/48/675955948.db2.gz HLLDSCZPVUIBIM-ZIAGYGMSSA-N 1 0 355.460 2.397 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261445 675961889 /nfs/dbraw/zinc/96/18/89/675961889.db2.gz GEVUZSWAHRXVBB-HZSPNIEDSA-N 1 0 368.459 2.016 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C2CC2)CC1 ZINC000126057850 672020149 /nfs/dbraw/zinc/02/01/49/672020149.db2.gz GENNBFZBUPAJSW-NSHDSACASA-N 1 0 352.822 2.355 20 5 FEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000584782537 672215671 /nfs/dbraw/zinc/21/56/71/672215671.db2.gz PEUOHMNTTTXNMX-SCZZXKLOSA-N 1 0 367.349 2.032 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000171098362 672329496 /nfs/dbraw/zinc/32/94/96/672329496.db2.gz CKKLCEFERLJXRC-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000589374650 672523233 /nfs/dbraw/zinc/52/32/33/672523233.db2.gz PGUSJZAJJBTTKR-UHFFFAOYSA-N 1 0 350.419 2.390 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000589938572 672549375 /nfs/dbraw/zinc/54/93/75/672549375.db2.gz WBKKPXJNSFLAOY-RNCFNFMXSA-N 1 0 350.293 2.245 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611335585 676032785 /nfs/dbraw/zinc/03/27/85/676032785.db2.gz RYWSGRQMWCFLIK-ZDUSSCGKSA-N 1 0 371.459 2.070 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1OC ZINC000590567165 672590285 /nfs/dbraw/zinc/59/02/85/672590285.db2.gz ZEZFZGKVEYBJTC-YPMHNXCESA-N 1 0 351.403 2.167 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000591030468 672643218 /nfs/dbraw/zinc/64/32/18/672643218.db2.gz VPXNGNUIBPRWPT-QGZVFWFLSA-N 1 0 363.483 2.471 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000591328963 672670745 /nfs/dbraw/zinc/67/07/45/672670745.db2.gz SJYZVFHZFKKHKJ-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H]1SC ZINC000592168023 672766450 /nfs/dbraw/zinc/76/64/50/672766450.db2.gz SJKMRJSWWMXNGD-FMKPAKJESA-N 1 0 353.444 2.340 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC2CCCC2)CC1 ZINC000195599382 672786788 /nfs/dbraw/zinc/78/67/88/672786788.db2.gz UJWLQBWAOJACQR-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000592382745 672795399 /nfs/dbraw/zinc/79/53/99/672795399.db2.gz ZARXERXWYDGZGT-UHFFFAOYSA-N 1 0 363.439 2.307 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390394 672796813 /nfs/dbraw/zinc/79/68/13/672796813.db2.gz IEACXPOQZARVLW-GJZGRUSLSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391174 672796847 /nfs/dbraw/zinc/79/68/47/672796847.db2.gz ZDWMDDPWWRVUID-CVEARBPZSA-N 1 0 367.471 2.136 20 5 FEBDRO [NH3+][C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(Cl)c1 ZINC000592563324 672814725 /nfs/dbraw/zinc/81/47/25/672814725.db2.gz VMMGJJPXYQCPCV-HNNXBMFYSA-N 1 0 363.805 2.308 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593060906 672870071 /nfs/dbraw/zinc/87/00/71/672870071.db2.gz FMKRHUJYKWOXED-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593698681 672980350 /nfs/dbraw/zinc/98/03/50/672980350.db2.gz WBEBSXIOBGMRPJ-HNNXBMFYSA-N 1 0 356.325 2.378 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000612630420 676090937 /nfs/dbraw/zinc/09/09/37/676090937.db2.gz MRJKTLMDMNKZGN-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750482 673129100 /nfs/dbraw/zinc/12/91/00/673129100.db2.gz JCSOFTLWBDUYNB-STQMWFEESA-N 1 0 370.475 2.025 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754083 673130037 /nfs/dbraw/zinc/13/00/37/673130037.db2.gz OELNINMGJJEJLC-CYBMUJFWSA-N 1 0 370.475 2.169 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594787683 673141973 /nfs/dbraw/zinc/14/19/73/673141973.db2.gz CBAMGONBTHFZLN-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595019662 673186793 /nfs/dbraw/zinc/18/67/93/673186793.db2.gz OYQZWAGLFZFCOU-SNVBAGLBSA-N 1 0 365.402 2.143 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]1(OCCO)CCOC1)CCCC2 ZINC000595077561 673191228 /nfs/dbraw/zinc/19/12/28/673191228.db2.gz JGYJHZTWPUOYHW-QZTJIDSGSA-N 1 0 350.415 2.120 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000595109799 673194559 /nfs/dbraw/zinc/19/45/59/673194559.db2.gz QNKMGBSLTRVNRP-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1noc(CN2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595428106 673249757 /nfs/dbraw/zinc/24/97/57/673249757.db2.gz LYGKMRUJSCCCRO-UHFFFAOYSA-N 1 0 352.435 2.216 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462584960 673265960 /nfs/dbraw/zinc/26/59/60/673265960.db2.gz PXAJUISMRAZXAM-OAHLLOKOSA-N 1 0 367.471 2.446 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000732037647 673351580 /nfs/dbraw/zinc/35/15/80/673351580.db2.gz CAGOQFHAFKDSFH-CYBMUJFWSA-N 1 0 363.386 2.343 20 5 FEBDRO O=c1[nH]ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000596132224 673361996 /nfs/dbraw/zinc/36/19/96/673361996.db2.gz VCDBQHAKZOPTAD-VIFPVBQESA-N 1 0 362.415 2.240 20 5 FEBDRO O=c1[nH]ccc(NCC2(C[NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000596154398 673363600 /nfs/dbraw/zinc/36/36/00/673363600.db2.gz IZXKOPMCCMXGRF-UHFFFAOYSA-N 1 0 350.419 2.390 20 5 FEBDRO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000596178489 673365486 /nfs/dbraw/zinc/36/54/86/673365486.db2.gz JIFSGLCJUFTPRZ-GXTWGEPZSA-N 1 0 353.854 2.105 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000537924059 673414137 /nfs/dbraw/zinc/41/41/37/673414137.db2.gz MHBAFIVCLRMHQQ-HIFRSBDPSA-N 1 0 353.444 2.111 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274955 673481848 /nfs/dbraw/zinc/48/18/48/673481848.db2.gz BRDIZTIFLNYWLU-KBPBESRZSA-N 1 0 358.320 2.436 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597572793 673488540 /nfs/dbraw/zinc/48/85/40/673488540.db2.gz RWMZZMHLBURDHO-UHFFFAOYSA-N 1 0 354.204 2.135 20 5 FEBDRO CCc1nn(C)c(N2CCC(OCC[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000539842035 673509230 /nfs/dbraw/zinc/50/92/30/673509230.db2.gz PMBYASIFXPYMBD-UHFFFAOYSA-N 1 0 353.467 2.218 20 5 FEBDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540144803 673525724 /nfs/dbraw/zinc/52/57/24/673525724.db2.gz PSMOLNPZGMAKNA-HZPDHXFCSA-N 1 0 355.460 2.287 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992882 673527437 /nfs/dbraw/zinc/52/74/37/673527437.db2.gz OQVABESEYBGRIV-LBPRGKRZSA-N 1 0 355.460 2.403 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000598162610 673542738 /nfs/dbraw/zinc/54/27/38/673542738.db2.gz WZRFZYOYNUTSBF-UHFFFAOYSA-N 1 0 356.220 2.299 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000598606061 673589203 /nfs/dbraw/zinc/58/92/03/673589203.db2.gz YSJBXMMQVFXMMP-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000542576318 673591066 /nfs/dbraw/zinc/59/10/66/673591066.db2.gz FNXUKHOQOCURRI-STQMWFEESA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(OCC[NH2+][C@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000542881014 673612933 /nfs/dbraw/zinc/61/29/33/673612933.db2.gz JNDYAAIELZKANT-OAHLLOKOSA-N 1 0 350.346 2.445 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000543387380 673643728 /nfs/dbraw/zinc/64/37/28/673643728.db2.gz APACTGIASBVQEK-UHFFFAOYSA-N 1 0 364.427 2.026 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000543677042 673660944 /nfs/dbraw/zinc/66/09/44/673660944.db2.gz WXJBZYFYOVDDHG-GXTWGEPZSA-N 1 0 355.460 2.315 20 5 FEBDRO CC1(C)CCC[C@](CO)([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000599593411 673695168 /nfs/dbraw/zinc/69/51/68/673695168.db2.gz CTVSODNQIXHUKN-KRWDZBQOSA-N 1 0 370.471 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000599626439 673699170 /nfs/dbraw/zinc/69/91/70/673699170.db2.gz VXMIPFQHEVHHDI-QLQJRFMMSA-N 1 0 351.403 2.334 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000601100408 673826023 /nfs/dbraw/zinc/82/60/23/673826023.db2.gz BTMAUHCZODEBBE-UHFFFAOYSA-N 1 0 356.308 2.069 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c([N+](=O)[O-])s1 ZINC000601341711 673845061 /nfs/dbraw/zinc/84/50/61/673845061.db2.gz ASGIJUKAZJCWGF-UHFFFAOYSA-N 1 0 359.473 2.119 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601341573 673845098 /nfs/dbraw/zinc/84/50/98/673845098.db2.gz GJKONPBMZJBQAI-STQMWFEESA-N 1 0 373.500 2.365 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601342928 673845436 /nfs/dbraw/zinc/84/54/36/673845436.db2.gz GSQGTGCXYFEHQM-AWEZNQCLSA-N 1 0 371.434 2.195 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601357005 673847623 /nfs/dbraw/zinc/84/76/23/673847623.db2.gz YDGBTXWOPKGLJI-TZMCWYRMSA-N 1 0 373.450 2.393 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])s1 ZINC000601414965 673858472 /nfs/dbraw/zinc/85/84/72/673858472.db2.gz NNAJXADLQCLGFZ-NEPJUHHUSA-N 1 0 359.473 2.212 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601497455 673870616 /nfs/dbraw/zinc/87/06/16/673870616.db2.gz XHWKKHLMVKFPEH-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601502014 673871819 /nfs/dbraw/zinc/87/18/19/673871819.db2.gz ISIBECDZJWFJKR-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000601503330 673872154 /nfs/dbraw/zinc/87/21/54/673872154.db2.gz FUZOMLSUDMIJCL-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000601634520 673889193 /nfs/dbraw/zinc/88/91/93/673889193.db2.gz WJZSTQMSHRXPBV-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638921 673909190 /nfs/dbraw/zinc/90/91/90/673909190.db2.gz HMJRUFPFBJKXFR-HQJQHLMTSA-N 1 0 351.222 2.048 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1Br ZINC000602690477 673909579 /nfs/dbraw/zinc/90/95/79/673909579.db2.gz NNEWGHGBRSCWBO-LDYMZIIASA-N 1 0 365.249 2.296 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602846451 673911714 /nfs/dbraw/zinc/91/17/14/673911714.db2.gz OPTVDZMCGRLPIB-OCCSQVGLSA-N 1 0 352.435 2.399 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602892501 673913173 /nfs/dbraw/zinc/91/31/73/673913173.db2.gz SBKKUPGSWVZPPR-DOTOQJQBSA-N 1 0 350.415 2.403 20 5 FEBDRO COC1CCN(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819039200 675254617 /nfs/dbraw/zinc/25/46/17/675254617.db2.gz PTKLDOCKEPOLCM-KRWDZBQOSA-N 1 0 351.447 2.107 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819052071 675255737 /nfs/dbraw/zinc/25/57/37/675255737.db2.gz ZGBIHPIINRIBKV-UKRRQHHQSA-N 1 0 351.403 2.227 20 5 FEBDRO CC(C)OC(=O)N1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819064479 675257753 /nfs/dbraw/zinc/25/77/53/675257753.db2.gz ZSIWLRFMOGWINC-INIZCTEOSA-N 1 0 351.403 2.227 20 5 FEBDRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819257027 675274750 /nfs/dbraw/zinc/27/47/50/675274750.db2.gz RWZMPHBBKPOHCC-CQSZACIVSA-N 1 0 365.411 2.094 20 5 FEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000567451897 675294076 /nfs/dbraw/zinc/29/40/76/675294076.db2.gz HYXAXPNQNBXRBR-BFYDXBDKSA-N 1 0 351.447 2.187 20 5 FEBDRO C[NH+]1CCC2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)CC1 ZINC000819920045 675324484 /nfs/dbraw/zinc/32/44/84/675324484.db2.gz JWOUXWLWBNGETQ-UHFFFAOYSA-N 1 0 361.427 2.157 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC3CS(=O)(=O)C3)o2)cc1 ZINC000615728193 676225363 /nfs/dbraw/zinc/22/53/63/676225363.db2.gz QLLTURZTRANLPH-UHFFFAOYSA-N 1 0 350.396 2.379 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(-c3nc(N4CC[NH2+]CC4)no3)cs2)cc1 ZINC000823316484 675544211 /nfs/dbraw/zinc/54/42/11/675544211.db2.gz WXDMNSMUJDEIIO-UHFFFAOYSA-N 1 0 358.383 2.178 20 5 FEBDRO CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000824835543 675624714 /nfs/dbraw/zinc/62/47/14/675624714.db2.gz XASQMVFTJGJEIC-JTQLQIEISA-N 1 0 371.235 2.106 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826928288 675716054 /nfs/dbraw/zinc/71/60/54/675716054.db2.gz FASUOTUIFTUYEQ-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827289014 675745643 /nfs/dbraw/zinc/74/56/43/675745643.db2.gz PUKUNNBOAIMPFG-VXGBXAGGSA-N 1 0 355.341 2.362 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000827415805 675754136 /nfs/dbraw/zinc/75/41/36/675754136.db2.gz MWDRCXSYAQBNJM-UHFFFAOYSA-N 1 0 369.849 2.475 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000839565136 680762148 /nfs/dbraw/zinc/76/21/48/680762148.db2.gz YVGQNYWMWHBQOB-NEPJUHHUSA-N 1 0 372.263 2.244 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1Br ZINC000839651270 680769032 /nfs/dbraw/zinc/76/90/32/680769032.db2.gz OAUVANARDAEDHB-NWDGAFQWSA-N 1 0 359.220 2.234 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1Br ZINC000839651275 680769063 /nfs/dbraw/zinc/76/90/63/680769063.db2.gz OAUVANARDAEDHB-VXGBXAGGSA-N 1 0 359.220 2.234 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)C[NH+]2CCCC2)C(F)(F)F)c1F ZINC000839653311 680769295 /nfs/dbraw/zinc/76/92/95/680769295.db2.gz VVIHICGVALFGGA-QMTHXVAHSA-N 1 0 365.327 2.384 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000763236893 680776826 /nfs/dbraw/zinc/77/68/26/680776826.db2.gz KOGHFOMLPKZZGX-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C[NH+](C)C ZINC000831714153 680030898 /nfs/dbraw/zinc/03/08/98/680030898.db2.gz UFJUQPPLTDLFTA-NSHDSACASA-N 1 0 363.336 2.310 20 5 FEBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000831745598 680037051 /nfs/dbraw/zinc/03/70/51/680037051.db2.gz UBJMRHKJYARPJZ-NSHDSACASA-N 1 0 374.235 2.054 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749964897 680090742 /nfs/dbraw/zinc/09/07/42/680090742.db2.gz SFXIKZSDGRWDLT-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749993359 680093600 /nfs/dbraw/zinc/09/36/00/680093600.db2.gz DCQMGTJAJJGBLS-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064079 680193547 /nfs/dbraw/zinc/19/35/47/680193547.db2.gz VAPWAMSMZHLONA-GFQSEFKGSA-N 1 0 358.225 2.395 20 5 FEBDRO O=C1[C@H]([NH2+][C@H](CCO)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000754394078 680353824 /nfs/dbraw/zinc/35/38/24/680353824.db2.gz HITXZBKWOJVTPV-HUUCEWRRSA-N 1 0 361.423 2.475 20 5 FEBDRO O=C1[C@@H]([NH2+][C@@H](CCO)c2cccs2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000754394076 680353900 /nfs/dbraw/zinc/35/39/00/680353900.db2.gz HITXZBKWOJVTPV-GJZGRUSLSA-N 1 0 361.423 2.475 20 5 FEBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000754516365 680361028 /nfs/dbraw/zinc/36/10/28/680361028.db2.gz MASUHHTUWJOLGP-CYBMUJFWSA-N 1 0 355.778 2.118 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc(O)ccc2Cl)CC1 ZINC000997773097 680365788 /nfs/dbraw/zinc/36/57/88/680365788.db2.gz SWANMTAHYGAFIT-GDBMZVCRSA-N 1 0 367.833 2.039 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000837174780 680563505 /nfs/dbraw/zinc/56/35/05/680563505.db2.gz JFKXFRPPASQGDE-UHFFFAOYSA-N 1 0 371.235 2.357 20 5 FEBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCCCC1 ZINC000841155321 680866290 /nfs/dbraw/zinc/86/62/90/680866290.db2.gz PSXYYUVSLUUXRW-UHFFFAOYSA-N 1 0 368.821 2.355 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841549726 680895930 /nfs/dbraw/zinc/89/59/30/680895930.db2.gz QOTGNWLAVWFOOU-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000842699412 680960347 /nfs/dbraw/zinc/96/03/47/680960347.db2.gz NWEUBJARJMLHJK-WDEREUQCSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000842746929 680963795 /nfs/dbraw/zinc/96/37/95/680963795.db2.gz GLSIOYFVPDNMNL-NSHDSACASA-N 1 0 359.835 2.072 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@H]1[NH3+] ZINC000842799581 680967737 /nfs/dbraw/zinc/96/77/37/680967737.db2.gz YDHNNTQLGGZGNO-ZYHUDNBSSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000842861037 680971889 /nfs/dbraw/zinc/97/18/89/680971889.db2.gz ZOJPPCUOUIAXDZ-LLVKDONJSA-N 1 0 361.851 2.449 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842873589 680972902 /nfs/dbraw/zinc/97/29/02/680972902.db2.gz KJSDEZMUHQXKFK-CHWSQXEVSA-N 1 0 371.434 2.134 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842873594 680972939 /nfs/dbraw/zinc/97/29/39/680972939.db2.gz KJSDEZMUHQXKFK-STQMWFEESA-N 1 0 371.434 2.134 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000843450234 681004480 /nfs/dbraw/zinc/00/44/80/681004480.db2.gz XPPYAZJKYKKPCE-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000843856852 681022417 /nfs/dbraw/zinc/02/24/17/681022417.db2.gz LTNJINPWEXJXGJ-CYBMUJFWSA-N 1 0 350.375 2.414 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000771036684 681038221 /nfs/dbraw/zinc/03/82/21/681038221.db2.gz BJDXXIIGSRSLEN-LBPRGKRZSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC001050516435 681049112 /nfs/dbraw/zinc/04/91/12/681049112.db2.gz BCZKQVWDCOIVNI-GDBMZVCRSA-N 1 0 363.845 2.430 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000846232738 681206658 /nfs/dbraw/zinc/20/66/58/681206658.db2.gz SXOYYNYFZLKQBB-ZYHUDNBSSA-N 1 0 361.851 2.386 20 5 FEBDRO CN1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+](C)CC1 ZINC000933990790 681493871 /nfs/dbraw/zinc/49/38/71/681493871.db2.gz RORMBOKKWQCAOB-UHFFFAOYSA-N 1 0 371.279 2.037 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCCCF)c2)CC1 ZINC000934041230 681499873 /nfs/dbraw/zinc/49/98/73/681499873.db2.gz WCPOOXRQYMBGBG-UHFFFAOYSA-N 1 0 353.398 2.218 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000848376669 681532667 /nfs/dbraw/zinc/53/26/67/681532667.db2.gz GJCXFWLJVXLZFE-GFCCVEGCSA-N 1 0 357.838 2.379 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848509023 681566619 /nfs/dbraw/zinc/56/66/19/681566619.db2.gz RJAXNFMHXKLWAI-KGLIPLIRSA-N 1 0 371.434 2.338 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581316 681582636 /nfs/dbraw/zinc/58/26/36/681582636.db2.gz OYNDDFUDNPWDAA-YPMHNXCESA-N 1 0 355.341 2.309 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848586702 681584127 /nfs/dbraw/zinc/58/41/27/681584127.db2.gz CDYBRVDKAUNVLY-GFCCVEGCSA-N 1 0 357.357 2.367 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902759 685466075 /nfs/dbraw/zinc/46/60/75/685466075.db2.gz FRVUEPOHZJYSCB-LLVKDONJSA-N 1 0 366.805 2.127 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000935112876 681690664 /nfs/dbraw/zinc/69/06/64/681690664.db2.gz JJIZXPZCIIRSNF-JSGCOSHPSA-N 1 0 355.485 2.434 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000849460982 681747034 /nfs/dbraw/zinc/74/70/34/681747034.db2.gz LBYQWTMZELYACZ-LBPRGKRZSA-N 1 0 371.434 2.419 20 5 FEBDRO C[NH+](C)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000913394189 685476245 /nfs/dbraw/zinc/47/62/45/685476245.db2.gz QFEYSFVJMYTLRE-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO O=C(NC12CC[NH+](CC1)C2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000913627671 685480923 /nfs/dbraw/zinc/48/09/23/685480923.db2.gz UMHPUZVMXIORQB-UHFFFAOYSA-N 1 0 359.304 2.114 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850348439 681888958 /nfs/dbraw/zinc/88/89/58/681888958.db2.gz MCYQOSHQFXCSFZ-QHCPKHFHSA-N 1 0 354.350 2.394 20 5 FEBDRO CC[N@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000781625938 681954239 /nfs/dbraw/zinc/95/42/39/681954239.db2.gz BGZUITHOSIWQMY-UHFFFAOYSA-N 1 0 352.391 2.282 20 5 FEBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000917838587 685534964 /nfs/dbraw/zinc/53/49/64/685534964.db2.gz MFUYEGXEQFYUJZ-NSHDSACASA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917838109 685534973 /nfs/dbraw/zinc/53/49/73/685534973.db2.gz IDBYRRIGEUEYRY-LLVKDONJSA-N 1 0 350.375 2.416 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000918465491 685539281 /nfs/dbraw/zinc/53/92/81/685539281.db2.gz OMXXMDSICIQNAN-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC000919095477 685544462 /nfs/dbraw/zinc/54/44/62/685544462.db2.gz CLDNNGIKPAGGKF-UHFFFAOYSA-N 1 0 354.204 2.069 20 5 FEBDRO CC(C)(C)OC(=O)NCC(=[NH2+])NOCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853693112 682457171 /nfs/dbraw/zinc/45/71/71/682457171.db2.gz IYLJVXDHWDARLC-UHFFFAOYSA-N 1 0 360.317 2.396 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854329495 682537324 /nfs/dbraw/zinc/53/73/24/682537324.db2.gz BMUZYCRJXZNZNA-CYBMUJFWSA-N 1 0 351.378 2.061 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790265623 682663399 /nfs/dbraw/zinc/66/33/99/682663399.db2.gz NNFBRECQIDGEBD-ZYHUDNBSSA-N 1 0 369.805 2.310 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809256 682715068 /nfs/dbraw/zinc/71/50/68/682715068.db2.gz AGQVUEZQDKKIFL-LLVKDONJSA-N 1 0 350.394 2.453 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000856729805 682799733 /nfs/dbraw/zinc/79/97/33/682799733.db2.gz VMFZQTDPOWOHFX-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000857765900 682910707 /nfs/dbraw/zinc/91/07/07/682910707.db2.gz LPJHANCZVOQSMD-LERXQTSPSA-N 1 0 355.341 2.152 20 5 FEBDRO O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766631 682911015 /nfs/dbraw/zinc/91/10/15/682911015.db2.gz RGYRTMXKTPAURM-HNNXBMFYSA-N 1 0 355.341 2.169 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000926150981 683083404 /nfs/dbraw/zinc/08/34/04/683083404.db2.gz QJMLVKJSEXTIQD-KRWDZBQOSA-N 1 0 368.455 2.163 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+]1C ZINC000798173281 683317508 /nfs/dbraw/zinc/31/75/08/683317508.db2.gz WJDLVVPZWALBJN-ZJUUUORDSA-N 1 0 371.235 2.307 20 5 FEBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228068 683325171 /nfs/dbraw/zinc/32/51/71/683325171.db2.gz FZIWKPXBQIAZMR-MRVPVSSYSA-N 1 0 353.803 2.006 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347725 683394075 /nfs/dbraw/zinc/39/40/75/683394075.db2.gz LLBCLLOYGWXQHN-BNLOLNQZSA-N 1 0 354.378 2.490 20 5 FEBDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928430961 683449834 /nfs/dbraw/zinc/44/98/34/683449834.db2.gz KHLLQHXXMKQBLT-SKDRFNHKSA-N 1 0 356.220 2.109 20 5 FEBDRO C[C@H]1[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928430959 683450245 /nfs/dbraw/zinc/45/02/45/683450245.db2.gz KHLLQHXXMKQBLT-CABZTGNLSA-N 1 0 356.220 2.109 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862033084 683519556 /nfs/dbraw/zinc/51/95/56/683519556.db2.gz ZKWNUUNJGZUXNW-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000921721945 683557104 /nfs/dbraw/zinc/55/71/04/683557104.db2.gz KHIXSVQIWYKFQI-UHFFFAOYSA-N 1 0 371.434 2.419 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000921721609 683557182 /nfs/dbraw/zinc/55/71/82/683557182.db2.gz FNNIVMXJDVXDRR-UHFFFAOYSA-N 1 0 371.434 2.419 20 5 FEBDRO COc1cc(CN(C)C[C@H](C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000863652399 683757252 /nfs/dbraw/zinc/75/72/52/683757252.db2.gz SNSOKMXCDTUFIH-VIFPVBQESA-N 1 0 351.325 2.324 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000930720426 683776095 /nfs/dbraw/zinc/77/60/95/683776095.db2.gz CWOPQLKJWBIIPC-GWCFXTLKSA-N 1 0 359.220 2.234 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000931186302 683849462 /nfs/dbraw/zinc/84/94/62/683849462.db2.gz LVCIALXIKHKCFF-STQMWFEESA-N 1 0 367.833 2.160 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866205564 684083015 /nfs/dbraw/zinc/08/30/15/684083015.db2.gz MTCQGMDWLXZYJF-IAQYHMDHSA-N 1 0 351.378 2.441 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000866866343 684170886 /nfs/dbraw/zinc/17/08/86/684170886.db2.gz NHYPETRKJCPWPK-DGCLKSJQSA-N 1 0 359.423 2.003 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000866985660 684191621 /nfs/dbraw/zinc/19/16/21/684191621.db2.gz KBRRPOSEHZSREH-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO C[NH+](C)C1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000931353834 684266701 /nfs/dbraw/zinc/26/67/01/684266701.db2.gz FHFOTPIJJDZCRB-UHFFFAOYSA-N 1 0 352.410 2.479 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434300 684282883 /nfs/dbraw/zinc/28/28/83/684282883.db2.gz PGSSNJMNWVBXCS-FRRDWIJNSA-N 1 0 366.849 2.459 20 5 FEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000868003980 684438411 /nfs/dbraw/zinc/43/84/11/684438411.db2.gz PFRUXVHSPVUTEW-SNVBAGLBSA-N 1 0 370.247 2.404 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871156783 684791664 /nfs/dbraw/zinc/79/16/64/684791664.db2.gz MLKCTAGMHUPEFF-UHFFFAOYSA-N 1 0 352.410 2.356 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666113 685001321 /nfs/dbraw/zinc/00/13/21/685001321.db2.gz WSBKDGGHWILUND-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873104294 685071710 /nfs/dbraw/zinc/07/17/10/685071710.db2.gz LRYOWUIZLGHIKS-UHFFFAOYSA-N 1 0 369.487 2.363 20 5 FEBDRO COC[C@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCC[NH2+]1 ZINC000876568423 686221505 /nfs/dbraw/zinc/22/15/05/686221505.db2.gz MLKRGDXTOKMCKP-INIZCTEOSA-N 1 0 355.822 2.365 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000877022248 686312896 /nfs/dbraw/zinc/31/28/96/686312896.db2.gz RKUVBIZUZRQKFP-VHSXEESVSA-N 1 0 360.183 2.367 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000877363298 686364238 /nfs/dbraw/zinc/36/42/38/686364238.db2.gz OMWWJCSUMIVNJY-KCJUWKMLSA-N 1 0 351.712 2.457 20 5 FEBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877722609 686445165 /nfs/dbraw/zinc/44/51/65/686445165.db2.gz BRTGCRXFDWREEB-ZWNOBZJWSA-N 1 0 362.304 2.281 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878823361 686668104 /nfs/dbraw/zinc/66/81/04/686668104.db2.gz SJYFWLHRCGSLQN-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735593 686896809 /nfs/dbraw/zinc/89/68/09/686896809.db2.gz ZXBUTBOOXNPYCP-PBHICJAKSA-N 1 0 350.415 2.416 20 5 FEBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287799 687599501 /nfs/dbraw/zinc/59/95/01/687599501.db2.gz GTHVGFCNASOVIH-ZDUSSCGKSA-N 1 0 358.236 2.168 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)OCCO2 ZINC000883365733 687614761 /nfs/dbraw/zinc/61/47/61/687614761.db2.gz GFAAOWQTLLBRDM-NSHDSACASA-N 1 0 372.246 2.014 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958132 687975546 /nfs/dbraw/zinc/97/55/46/687975546.db2.gz ZLCMXNCRFCRWTF-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000885855126 688169729 /nfs/dbraw/zinc/16/97/29/688169729.db2.gz JQFDEKIHYGYDDI-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868604 688174167 /nfs/dbraw/zinc/17/41/67/688174167.db2.gz LEBWOQHDNNPNTP-OAHLLOKOSA-N 1 0 367.833 2.160 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000888288324 688578415 /nfs/dbraw/zinc/57/84/15/688578415.db2.gz IRCAIIMUBOCHSN-UHFFFAOYSA-N 1 0 370.837 2.477 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891756162 689102268 /nfs/dbraw/zinc/10/22/68/689102268.db2.gz ALVAQTCHPYMPKN-KGLIPLIRSA-N 1 0 352.822 2.327 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000893304073 689328502 /nfs/dbraw/zinc/32/85/02/689328502.db2.gz KBCNSJMMSCVRPL-ZFWWWQNUSA-N 1 0 374.846 2.074 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000894048444 689456235 /nfs/dbraw/zinc/45/62/35/689456235.db2.gz WKQGNLKDDMCSQR-DOMZBBRYSA-N 1 0 352.822 2.136 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1Cl ZINC000896915562 689950348 /nfs/dbraw/zinc/95/03/48/689950348.db2.gz ZYYUJYLJKURVKS-MGPLVRAMSA-N 1 0 353.806 2.423 20 5 FEBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000897347125 690009850 /nfs/dbraw/zinc/00/98/50/690009850.db2.gz GJJFPYRYPNBHKS-LLVKDONJSA-N 1 0 355.320 2.389 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1F ZINC000898828607 690258859 /nfs/dbraw/zinc/25/88/59/690258859.db2.gz CYVLQMCRDTVOQL-CABCVRRESA-N 1 0 351.378 2.345 20 5 FEBDRO COc1cc([C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC)cc([N+](=O)[O-])c1 ZINC000903125666 690848601 /nfs/dbraw/zinc/84/86/01/690848601.db2.gz NFLLXQPIGXRMKO-NHYWBVRUSA-N 1 0 371.459 2.396 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903154086 690857171 /nfs/dbraw/zinc/85/71/71/690857171.db2.gz WXSHTNCHCYVJOG-OAUYIBNBSA-N 1 0 354.403 2.075 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1 ZINC000903204792 690866115 /nfs/dbraw/zinc/86/61/15/690866115.db2.gz YBYDSAJJUBOYEM-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000906458556 691271860 /nfs/dbraw/zinc/27/18/60/691271860.db2.gz GQYUSJLTQICUNX-CABCVRRESA-N 1 0 367.833 2.160 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CCCOCC1 ZINC000907618167 691527101 /nfs/dbraw/zinc/52/71/01/691527101.db2.gz TTYLULSRGRNIIZ-UHFFFAOYSA-N 1 0 355.822 2.019 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1C ZINC000907852797 691570168 /nfs/dbraw/zinc/57/01/68/691570168.db2.gz DSHGYSBVMJQPAP-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cnc1Cl ZINC001164402686 718861164 /nfs/dbraw/zinc/86/11/64/718861164.db2.gz LGIDOCXBYDXKEI-BXKDBHETSA-N 1 0 362.764 2.003 20 5 FEBDRO Nc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906332 721539633 /nfs/dbraw/zinc/53/96/33/721539633.db2.gz JVLKKUYLCDOHHS-ZFWWWQNUSA-N 1 0 373.388 2.053 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccsc1 ZINC000031985865 539925537 /nfs/dbraw/zinc/92/55/37/539925537.db2.gz MFSRSSOCMOSNDJ-AWEZNQCLSA-N 1 0 364.427 2.158 20 5 FEBDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000032761033 539951882 /nfs/dbraw/zinc/95/18/82/539951882.db2.gz XXBQPPWWATZHCU-UHFFFAOYSA-N 1 0 368.437 2.142 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000033853143 539975773 /nfs/dbraw/zinc/97/57/73/539975773.db2.gz ZMIMBAYMHYCWDK-GOSISDBHSA-N 1 0 372.421 2.318 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000041894477 540038169 /nfs/dbraw/zinc/03/81/69/540038169.db2.gz BYPDDSLLIJMHTE-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000043122001 540090133 /nfs/dbraw/zinc/09/01/33/540090133.db2.gz NQZCOQHRNINAIQ-STQMWFEESA-N 1 0 366.418 2.224 20 5 FEBDRO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC000046408826 540255563 /nfs/dbraw/zinc/25/55/63/540255563.db2.gz LTMAVNXAXRPTFU-OAHLLOKOSA-N 1 0 360.458 2.412 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000048721658 540371293 /nfs/dbraw/zinc/37/12/93/540371293.db2.gz NMCMAWZTTWRBQW-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000048794447 540373806 /nfs/dbraw/zinc/37/38/06/540373806.db2.gz KQXTYJPABQUJSW-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1sc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000053564056 540543462 /nfs/dbraw/zinc/54/34/62/540543462.db2.gz CIRHXDLXNVHXKC-UHFFFAOYSA-N 1 0 353.444 2.149 20 5 FEBDRO Cn1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000054098568 540569191 /nfs/dbraw/zinc/56/91/91/540569191.db2.gz DVHDLRKDPDQNCX-UHFFFAOYSA-N 1 0 369.425 2.163 20 5 FEBDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000054677867 540602077 /nfs/dbraw/zinc/60/20/77/540602077.db2.gz CAHXGHQVHNZNDA-UHFFFAOYSA-N 1 0 359.386 2.494 20 5 FEBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000055235401 540639177 /nfs/dbraw/zinc/63/91/77/540639177.db2.gz NBNPHSNHJMISGD-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000055281147 540642726 /nfs/dbraw/zinc/64/27/26/540642726.db2.gz ZUGXTCIGTKBNSO-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000055281047 540642885 /nfs/dbraw/zinc/64/28/85/540642885.db2.gz FZPUWVVYUQHDFR-CYBMUJFWSA-N 1 0 355.460 2.304 20 5 FEBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000056066293 540698746 /nfs/dbraw/zinc/69/87/46/540698746.db2.gz ZTOXZMWWILPZAW-UHFFFAOYSA-N 1 0 355.460 2.385 20 5 FEBDRO CCc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000065978414 541276180 /nfs/dbraw/zinc/27/61/80/541276180.db2.gz KQORVAVSISLUNV-UHFFFAOYSA-N 1 0 363.439 2.225 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC[N@@H+](C)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000066924450 541395190 /nfs/dbraw/zinc/39/51/90/541395190.db2.gz VSAYYWAECMPXKV-UHFFFAOYSA-N 1 0 371.441 2.280 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067272095 541439145 /nfs/dbraw/zinc/43/91/45/541439145.db2.gz XNLZVNYYQCJPKA-CQSZACIVSA-N 1 0 372.429 2.026 20 5 FEBDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067419495 541461996 /nfs/dbraw/zinc/46/19/96/541461996.db2.gz NHKLDBPFNANKJE-OAHLLOKOSA-N 1 0 362.430 2.080 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000067949793 541532187 /nfs/dbraw/zinc/53/21/87/541532187.db2.gz ZABRIQITGJUOSC-CYBMUJFWSA-N 1 0 372.491 2.425 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476149 541596955 /nfs/dbraw/zinc/59/69/55/541596955.db2.gz YMRVXNAMPJWESZ-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000068901940 541638759 /nfs/dbraw/zinc/63/87/59/541638759.db2.gz TWCSMNDYCSPLFJ-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069042173 541651463 /nfs/dbraw/zinc/65/14/63/541651463.db2.gz OAQKTJWXOFIUFI-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO CC[NH+]1CCC(Nc2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000069691475 541704494 /nfs/dbraw/zinc/70/44/94/541704494.db2.gz VWSICTSKYMUURQ-UHFFFAOYSA-N 1 0 352.347 2.186 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000072064628 541782680 /nfs/dbraw/zinc/78/26/80/541782680.db2.gz CZTURWYWZQHOTE-UHFFFAOYSA-N 1 0 365.430 2.249 20 5 FEBDRO COC(=O)c1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665308 541847374 /nfs/dbraw/zinc/84/73/74/541847374.db2.gz OGPYXDWKVZCBMO-HNNXBMFYSA-N 1 0 356.382 2.463 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072716657 541855806 /nfs/dbraw/zinc/85/58/06/541855806.db2.gz HFBIVZHHVQTHAA-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000073996338 542024446 /nfs/dbraw/zinc/02/44/46/542024446.db2.gz PGEFYRIIHNELRV-CABCVRRESA-N 1 0 361.398 2.080 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000801541744 674134025 /nfs/dbraw/zinc/13/40/25/674134025.db2.gz VBUCPGMJSRNEDO-UWVGGRQHSA-N 1 0 357.794 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000078790876 542480547 /nfs/dbraw/zinc/48/05/47/542480547.db2.gz CJNDSXVZEGZGCL-UHFFFAOYSA-N 1 0 355.460 2.397 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000078973416 542491361 /nfs/dbraw/zinc/49/13/61/542491361.db2.gz GOLWGESXCNIPKE-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000079493858 542522538 /nfs/dbraw/zinc/52/25/38/542522538.db2.gz IUVZPEORWZVPBM-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000080284011 542581979 /nfs/dbraw/zinc/58/19/79/542581979.db2.gz DUDIIZAJBBYDOD-UHFFFAOYSA-N 1 0 370.475 2.026 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422795 542656423 /nfs/dbraw/zinc/65/64/23/542656423.db2.gz KLMRIKVHIFVSPV-UHFFFAOYSA-N 1 0 369.425 2.367 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CCO1 ZINC000083171185 542693100 /nfs/dbraw/zinc/69/31/00/542693100.db2.gz ANFKFRFHNYUSCR-ZDUSSCGKSA-N 1 0 360.414 2.421 20 5 FEBDRO O=C(NC1CC1)c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089603320 542766535 /nfs/dbraw/zinc/76/65/35/542766535.db2.gz JCVNYEDVCHFMJV-INIZCTEOSA-N 1 0 374.441 2.152 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089933239 542775770 /nfs/dbraw/zinc/77/57/70/542775770.db2.gz XSDTVMGIVKAKLX-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089927035 542774150 /nfs/dbraw/zinc/77/41/50/542774150.db2.gz UTQUIRRSTUDQQP-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962532 542779753 /nfs/dbraw/zinc/77/97/53/542779753.db2.gz ZECJZEZROZWMNX-DLBZAZTESA-N 1 0 369.421 2.268 20 5 FEBDRO CCc1nn(C)c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000091744174 542822886 /nfs/dbraw/zinc/82/28/86/542822886.db2.gz RSEWEDXZQUBDFA-HUUCEWRRSA-N 1 0 351.451 2.071 20 5 FEBDRO COc1cc(CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092456996 542864125 /nfs/dbraw/zinc/86/41/25/542864125.db2.gz YSGOKCYKYGTHFM-SNVBAGLBSA-N 1 0 363.336 2.338 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094122807 542953124 /nfs/dbraw/zinc/95/31/24/542953124.db2.gz CKXBXRWSUKHJFS-UHFFFAOYSA-N 1 0 357.414 2.377 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247435747 549333931 /nfs/dbraw/zinc/33/39/31/549333931.db2.gz PBHONBJCHGWFAV-MLGOLLRUSA-N 1 0 363.414 2.184 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000101957141 543051823 /nfs/dbraw/zinc/05/18/23/543051823.db2.gz WLYAHQRHIGMQIW-UHFFFAOYSA-N 1 0 350.375 2.334 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000103976508 543119831 /nfs/dbraw/zinc/11/98/31/543119831.db2.gz PBRHGJYMNJHUBR-OAHLLOKOSA-N 1 0 363.414 2.328 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3)CC2)c1 ZINC000104520643 543133429 /nfs/dbraw/zinc/13/34/29/543133429.db2.gz SVROMYBJGIGLLJ-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104770661 543143224 /nfs/dbraw/zinc/14/32/24/543143224.db2.gz HXFJXOFSWGIHPH-UHFFFAOYSA-N 1 0 357.370 2.353 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(N3CCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000104730472 543140213 /nfs/dbraw/zinc/14/02/13/543140213.db2.gz OGISURYQDSNZAJ-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000105566621 543176783 /nfs/dbraw/zinc/17/67/83/543176783.db2.gz ZTLPRHTVKRGCLF-JTQLQIEISA-N 1 0 361.320 2.217 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891506 543253025 /nfs/dbraw/zinc/25/30/25/543253025.db2.gz GQWMDMRZWURJSS-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106891804 543253059 /nfs/dbraw/zinc/25/30/59/543253059.db2.gz MYOPLNKXGPPNMX-AWEZNQCLSA-N 1 0 353.444 2.031 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111231230 543387835 /nfs/dbraw/zinc/38/78/35/543387835.db2.gz VHRJKWROTZFEPX-HNNXBMFYSA-N 1 0 350.438 2.336 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111274376 543391509 /nfs/dbraw/zinc/39/15/09/543391509.db2.gz GERTYSQYRNOALR-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000112919582 543468552 /nfs/dbraw/zinc/46/85/52/543468552.db2.gz SKLHNKPRLXTLOK-UHFFFAOYSA-N 1 0 374.445 2.336 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115586098 543575866 /nfs/dbraw/zinc/57/58/66/543575866.db2.gz JDLPTGCGRDSUIW-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000116127669 543599703 /nfs/dbraw/zinc/59/97/03/543599703.db2.gz DTLDBASIELMCJR-MRXNPFEDSA-N 1 0 374.445 2.272 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000119850250 543672877 /nfs/dbraw/zinc/67/28/77/543672877.db2.gz BAOIONSWHWWFTK-MRXNPFEDSA-N 1 0 362.430 2.015 20 5 FEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000123099524 543742103 /nfs/dbraw/zinc/74/21/03/543742103.db2.gz ZPGSHRHFCIQAMP-ZDUSSCGKSA-N 1 0 357.414 2.284 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000122585574 543711825 /nfs/dbraw/zinc/71/18/25/543711825.db2.gz BBIBHARUKWGVKB-MRXNPFEDSA-N 1 0 357.414 2.048 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123947458 543792671 /nfs/dbraw/zinc/79/26/71/543792671.db2.gz WVOUUIMQQKBUMF-ZYHUDNBSSA-N 1 0 350.375 2.366 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000123619796 543772668 /nfs/dbraw/zinc/77/26/68/543772668.db2.gz JPQLPQDVVZFYBX-HUUCEWRRSA-N 1 0 365.455 2.180 20 5 FEBDRO COc1ccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000123956223 543793560 /nfs/dbraw/zinc/79/35/60/543793560.db2.gz CVBMDNRYZIWZBC-UHFFFAOYSA-N 1 0 351.447 2.394 20 5 FEBDRO COc1cc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000127164795 543976130 /nfs/dbraw/zinc/97/61/30/543976130.db2.gz KCHAJPSZFTZUBP-AOOOYVTPSA-N 1 0 373.356 2.369 20 5 FEBDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128177090 544036924 /nfs/dbraw/zinc/03/69/24/544036924.db2.gz KUUTURZGMNCBLS-ZDUSSCGKSA-N 1 0 374.319 2.183 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000129961794 544133249 /nfs/dbraw/zinc/13/32/49/544133249.db2.gz AHQDDULAWOOVJR-MLGOLLRUSA-N 1 0 363.443 2.052 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000130289879 544145761 /nfs/dbraw/zinc/14/57/61/544145761.db2.gz MCEKVXZGFNRYFJ-UHFFFAOYSA-N 1 0 372.429 2.026 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000130407317 544149442 /nfs/dbraw/zinc/14/94/42/544149442.db2.gz TWOGMLRSXNLHMS-QGZVFWFLSA-N 1 0 350.415 2.116 20 5 FEBDRO C[NH+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000130515601 544154347 /nfs/dbraw/zinc/15/43/47/544154347.db2.gz MXKNWJWVPCEUPC-UHFFFAOYSA-N 1 0 350.600 2.302 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000132219083 544223163 /nfs/dbraw/zinc/22/31/63/544223163.db2.gz AXXXAISNWLLAPD-OAHLLOKOSA-N 1 0 350.415 2.491 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134933150 544328589 /nfs/dbraw/zinc/32/85/89/544328589.db2.gz IKBKKODPWRHIDV-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000138889566 544398327 /nfs/dbraw/zinc/39/83/27/544398327.db2.gz GEGZOZBRGIMEQO-VXGBXAGGSA-N 1 0 352.410 2.414 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169145 544512298 /nfs/dbraw/zinc/51/22/98/544512298.db2.gz QCDVQPQMTCYAHY-ZGMNHVEMSA-N 1 0 363.414 2.478 20 5 FEBDRO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000151637384 544565386 /nfs/dbraw/zinc/56/53/86/544565386.db2.gz IRQOBJQMCKRPFR-AWEZNQCLSA-N 1 0 366.849 2.299 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151812446 544583730 /nfs/dbraw/zinc/58/37/30/544583730.db2.gz FQPWRCMOEHRVAF-UHFFFAOYSA-N 1 0 371.459 2.002 20 5 FEBDRO CCOc1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000153153692 544739793 /nfs/dbraw/zinc/73/97/93/544739793.db2.gz NRKJWDGYRMOLSV-CQSZACIVSA-N 1 0 351.447 2.491 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153517501 544785835 /nfs/dbraw/zinc/78/58/35/544785835.db2.gz QKCBAZIQUMVLPA-SNVBAGLBSA-N 1 0 373.356 2.371 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153942866 544842913 /nfs/dbraw/zinc/84/29/13/544842913.db2.gz YIETZHSOWMXRTK-KSSFIOAISA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154372126 544897846 /nfs/dbraw/zinc/89/78/46/544897846.db2.gz YTXRUALOJLVUBY-BYICEURKSA-N 1 0 372.469 2.286 20 5 FEBDRO C[C@@](C[NH3+])(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000154871473 544960189 /nfs/dbraw/zinc/96/01/89/544960189.db2.gz SUOYCTVMNBTKLY-AWEZNQCLSA-N 1 0 356.220 2.143 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000181641215 327739852 /nfs/dbraw/zinc/73/98/52/327739852.db2.gz AOMHKWQGQWNCPD-SMDDNHRTSA-N 1 0 370.452 2.142 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184257850 327858689 /nfs/dbraw/zinc/85/86/89/327858689.db2.gz PXOGNJGUFYDKEU-UHFFFAOYSA-N 1 0 369.487 2.477 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000184860096 327885951 /nfs/dbraw/zinc/88/59/51/327885951.db2.gz SFNHRLOGIZVNDY-CYBMUJFWSA-N 1 0 373.373 2.129 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184826097 327884735 /nfs/dbraw/zinc/88/47/35/327884735.db2.gz GKTXUDVWWLXEBG-DDTOSNHZSA-N 1 0 359.386 2.340 20 5 FEBDRO Cn1c(Sc2c([N+](=O)[O-])cccc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000804463480 674288094 /nfs/dbraw/zinc/28/80/94/674288094.db2.gz QFERPGBNDQVTOA-UHFFFAOYSA-N 1 0 364.387 2.250 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000186413592 327960770 /nfs/dbraw/zinc/96/07/70/327960770.db2.gz VJFYIIKDMUMBGY-UHFFFAOYSA-N 1 0 374.401 2.023 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188117622 328067192 /nfs/dbraw/zinc/06/71/92/328067192.db2.gz BYANVAMUTUGIGT-UHFFFAOYSA-N 1 0 372.425 2.384 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189190713 328134025 /nfs/dbraw/zinc/13/40/25/328134025.db2.gz MZGVFOWIHGLWOP-WMZOPIPTSA-N 1 0 350.415 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189256444 328137255 /nfs/dbraw/zinc/13/72/55/328137255.db2.gz NKMFZKKUCSPQEG-LRDDRELGSA-N 1 0 351.403 2.289 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000189442818 328148490 /nfs/dbraw/zinc/14/84/90/328148490.db2.gz RQTXIDLABLVWRB-ZDUSSCGKSA-N 1 0 354.426 2.428 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190007654 328181957 /nfs/dbraw/zinc/18/19/57/328181957.db2.gz QPRGCFQFURTXBC-KGLIPLIRSA-N 1 0 355.460 2.315 20 5 FEBDRO CC(C)c1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000190018714 328183015 /nfs/dbraw/zinc/18/30/15/328183015.db2.gz IAGIRUBSUSARQI-UHFFFAOYSA-N 1 0 362.474 2.474 20 5 FEBDRO O=C1C[C@H](N2CCC([C@@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079834 328186319 /nfs/dbraw/zinc/18/63/19/328186319.db2.gz HRBZKDXPTNMDHQ-IRXDYDNUSA-N 1 0 373.409 2.118 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190346866 328201586 /nfs/dbraw/zinc/20/15/86/328201586.db2.gz VDTXMRBXDQETLM-LSDHHAIUSA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000191903699 328287889 /nfs/dbraw/zinc/28/78/89/328287889.db2.gz UHPZKJITDOSVSC-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000192029863 328295405 /nfs/dbraw/zinc/29/54/05/328295405.db2.gz JPVQBLNBFNIXRP-ZDUSSCGKSA-N 1 0 361.851 2.352 20 5 FEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000192468322 328320471 /nfs/dbraw/zinc/32/04/71/328320471.db2.gz JDZFYGVNSMHKST-IYBDPMFKSA-N 1 0 372.469 2.465 20 5 FEBDRO COc1cccc(C(=O)NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000192464839 328320615 /nfs/dbraw/zinc/32/06/15/328320615.db2.gz STCFZPCCSRDZQY-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192804985 328340636 /nfs/dbraw/zinc/34/06/36/328340636.db2.gz OKGIFHMYDWNWDB-LJQANCHMSA-N 1 0 373.457 2.193 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000192813039 328340931 /nfs/dbraw/zinc/34/09/31/328340931.db2.gz JYZAQILJNLQUAE-LBPRGKRZSA-N 1 0 354.370 2.317 20 5 FEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n(C)n1 ZINC000193010768 328351976 /nfs/dbraw/zinc/35/19/76/328351976.db2.gz LIEBEKCJKGSWOT-IAGOWNOFSA-N 1 0 369.425 2.409 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000193228320 328363927 /nfs/dbraw/zinc/36/39/27/328363927.db2.gz NLVGCKNYSSZQEZ-NSHDSACASA-N 1 0 361.851 2.177 20 5 FEBDRO CCc1cc(N2CC[NH+](CCOC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193516145 328379840 /nfs/dbraw/zinc/37/98/40/328379840.db2.gz QPMSXMQFAXXBDE-UHFFFAOYSA-N 1 0 371.441 2.383 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000026854413 324428878 /nfs/dbraw/zinc/42/88/78/324428878.db2.gz KTSUEKPJFIKVMQ-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055295408 324775512 /nfs/dbraw/zinc/77/55/12/324775512.db2.gz RZSZZGSTLGFVPZ-HNNXBMFYSA-N 1 0 363.439 2.046 20 5 FEBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236983128 328500296 /nfs/dbraw/zinc/50/02/96/328500296.db2.gz TZXFQTNUKFEFCW-QWHCGFSZSA-N 1 0 359.430 2.388 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237537570 328519175 /nfs/dbraw/zinc/51/91/75/328519175.db2.gz YUQXCYOGBOQTAU-GXTWGEPZSA-N 1 0 355.398 2.336 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000087354717 325280635 /nfs/dbraw/zinc/28/06/35/325280635.db2.gz HVOGPXMEFNHIGM-KRWDZBQOSA-N 1 0 361.442 2.098 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000090551953 325363154 /nfs/dbraw/zinc/36/31/54/325363154.db2.gz MZCNJYPBOIQTSW-UKRRQHHQSA-N 1 0 363.439 2.406 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000090553884 325363289 /nfs/dbraw/zinc/36/32/89/325363289.db2.gz VLFRYRWGMMEDPT-UHFFFAOYSA-N 1 0 360.389 2.472 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCC[NH2+]Cc1cccnc1 ZINC000238029744 328538541 /nfs/dbraw/zinc/53/85/41/328538541.db2.gz XXHLTUAHEJFISH-UHFFFAOYSA-N 1 0 360.439 2.378 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111102610 325700896 /nfs/dbraw/zinc/70/08/96/325700896.db2.gz DGEJSGKMVDJLJY-UHFFFAOYSA-N 1 0 362.430 2.063 20 5 FEBDRO COc1cc(C[NH2+]CC[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000114771384 325920500 /nfs/dbraw/zinc/92/05/00/325920500.db2.gz ZJSXJVXQMNJSRF-VIFPVBQESA-N 1 0 352.309 2.405 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000119061677 326122948 /nfs/dbraw/zinc/12/29/48/326122948.db2.gz XIOFQZOUIPXMLS-CQSZACIVSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)ccc1OCC[NH+]1CCCC1 ZINC000119132881 326130295 /nfs/dbraw/zinc/13/02/95/326130295.db2.gz MNMDTJPHZAWKLG-UHFFFAOYSA-N 1 0 373.413 2.213 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000119446210 326163246 /nfs/dbraw/zinc/16/32/46/326163246.db2.gz CMZZOSWLZAMXMP-ZDUSSCGKSA-N 1 0 363.414 2.089 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119545198 326173964 /nfs/dbraw/zinc/17/39/64/326173964.db2.gz IIXFYPQJRJJFJR-CQSZACIVSA-N 1 0 365.430 2.076 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000119886562 326208952 /nfs/dbraw/zinc/20/89/52/326208952.db2.gz QASCPUQUNVBNJP-QGZVFWFLSA-N 1 0 369.421 2.052 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120350230 326251690 /nfs/dbraw/zinc/25/16/90/326251690.db2.gz LGYHHCTVWAPPSO-VUCTXSBTSA-N 1 0 363.414 2.287 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000120921070 326299008 /nfs/dbraw/zinc/29/90/08/326299008.db2.gz JWIMPPWDWPYEOE-OCCSQVGLSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1c(CC(=O)N(CC[NH+](C)C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000121583929 326349344 /nfs/dbraw/zinc/34/93/44/326349344.db2.gz PQMZQYQXWLFJIL-UHFFFAOYSA-N 1 0 356.426 2.431 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000121762522 326364831 /nfs/dbraw/zinc/36/48/31/326364831.db2.gz OPFRNMQMPLKHHR-HIFRSBDPSA-N 1 0 365.455 2.232 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1F ZINC000121824854 326370296 /nfs/dbraw/zinc/37/02/96/326370296.db2.gz JNVIMUAVFCITED-UHFFFAOYSA-N 1 0 363.393 2.044 20 5 FEBDRO Cc1c(CC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000121886589 326373928 /nfs/dbraw/zinc/37/39/28/326373928.db2.gz ZFCOMQMGOVHXCT-AWEZNQCLSA-N 1 0 361.442 2.157 20 5 FEBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(CO)COC2)cc1[N+](=O)[O-] ZINC000123023507 326417627 /nfs/dbraw/zinc/41/76/27/326417627.db2.gz GBKPQLFXIIYBFQ-UHFFFAOYSA-N 1 0 357.410 2.461 20 5 FEBDRO Cc1cccc(C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000126898814 326496974 /nfs/dbraw/zinc/49/69/74/326496974.db2.gz YVMNXCHMFYQEHV-OAHLLOKOSA-N 1 0 373.409 2.457 20 5 FEBDRO C[C@@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[NH2+]C1 ZINC000127274421 326503387 /nfs/dbraw/zinc/50/33/87/326503387.db2.gz NVGJGZSWRHHIJJ-HOTGVXAUSA-N 1 0 360.458 2.269 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000128244818 326520368 /nfs/dbraw/zinc/52/03/68/326520368.db2.gz AYJSQWNQEFCIOX-HNNXBMFYSA-N 1 0 371.441 2.454 20 5 FEBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000128339247 326522074 /nfs/dbraw/zinc/52/20/74/326522074.db2.gz PXIKIZSXNQSKJZ-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131579419 326577455 /nfs/dbraw/zinc/57/74/55/326577455.db2.gz YTTOMKNCSPYRLR-KBXCAEBGSA-N 1 0 350.415 2.146 20 5 FEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000132949142 326600475 /nfs/dbraw/zinc/60/04/75/326600475.db2.gz CWTRNZYJYRSONN-UHFFFAOYSA-N 1 0 374.445 2.133 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000134525245 326627099 /nfs/dbraw/zinc/62/70/99/326627099.db2.gz ACNVFWWRMHHVQD-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCn3cc([N+](=O)[O-])cn3)cc21 ZINC000150984197 326672403 /nfs/dbraw/zinc/67/24/03/326672403.db2.gz QKPBCYDDANLPDW-UHFFFAOYSA-N 1 0 370.413 2.336 20 5 FEBDRO COC(=O)C(C)(C)C[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000151816543 326691765 /nfs/dbraw/zinc/69/17/65/326691765.db2.gz YAUWFLIOUQPQDN-VIFPVBQESA-N 1 0 357.794 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000160160861 326955469 /nfs/dbraw/zinc/95/54/69/326955469.db2.gz XDNKBXRFKDWIOQ-LBPRGKRZSA-N 1 0 359.473 2.295 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000171369819 327135421 /nfs/dbraw/zinc/13/54/21/327135421.db2.gz LVWPXROXHHNCAV-UHFFFAOYSA-N 1 0 372.429 2.275 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171651394 327151623 /nfs/dbraw/zinc/15/16/23/327151623.db2.gz OGMZJHUGJIZFAW-MRXNPFEDSA-N 1 0 362.430 2.373 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000172015677 327176381 /nfs/dbraw/zinc/17/63/81/327176381.db2.gz QGUWNQCXJKUJEQ-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000172018285 327176406 /nfs/dbraw/zinc/17/64/06/327176406.db2.gz ZZJCKXJESJMCMQ-ZDUSSCGKSA-N 1 0 355.460 2.304 20 5 FEBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](C)CC1 ZINC000172203220 327187080 /nfs/dbraw/zinc/18/70/80/327187080.db2.gz GAYLDUGBXSJYSJ-GFCCVEGCSA-N 1 0 362.455 2.175 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000172505589 327204421 /nfs/dbraw/zinc/20/44/21/327204421.db2.gz MURAKOZFTAZCJJ-OAHLLOKOSA-N 1 0 355.822 2.335 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172604012 327210706 /nfs/dbraw/zinc/21/07/06/327210706.db2.gz ASZBMNZFCDRGQW-HIFRSBDPSA-N 1 0 357.414 2.193 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000173053812 327232679 /nfs/dbraw/zinc/23/26/79/327232679.db2.gz APXWFYVOGFYBBV-NSHDSACASA-N 1 0 353.419 2.318 20 5 FEBDRO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000173273529 327245998 /nfs/dbraw/zinc/24/59/98/327245998.db2.gz BBYXBYIHDGRJLQ-QWRGUYRKSA-N 1 0 361.851 2.351 20 5 FEBDRO CCc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000173445026 327257473 /nfs/dbraw/zinc/25/74/73/327257473.db2.gz GGGKEIOUDXWNJS-UHFFFAOYSA-N 1 0 361.442 2.342 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000173514313 327262818 /nfs/dbraw/zinc/26/28/18/327262818.db2.gz CCUPJPRXGBAYKU-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO COc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000173561393 327266502 /nfs/dbraw/zinc/26/65/02/327266502.db2.gz FRALGKSEIYXKNM-KSSFIOAISA-N 1 0 374.441 2.462 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000173668148 327275227 /nfs/dbraw/zinc/27/52/27/327275227.db2.gz AGFLRVMXFAMOCD-CYBMUJFWSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173952155 327297055 /nfs/dbraw/zinc/29/70/55/327297055.db2.gz LNEASLYBGFSGJQ-OAHLLOKOSA-N 1 0 355.460 2.088 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173955771 327297584 /nfs/dbraw/zinc/29/75/84/327297584.db2.gz VENCNZXVNWVJEQ-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105429 327306472 /nfs/dbraw/zinc/30/64/72/327306472.db2.gz NESXSZRSCOPVPC-YOEHRIQHSA-N 1 0 364.446 2.408 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000174125914 327307600 /nfs/dbraw/zinc/30/76/00/327307600.db2.gz RRVDMPWVQPOAJZ-QGZVFWFLSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000174512589 327331821 /nfs/dbraw/zinc/33/18/21/327331821.db2.gz UYWRWQDTSRFNRC-GFCCVEGCSA-N 1 0 350.375 2.225 20 5 FEBDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708299 327344705 /nfs/dbraw/zinc/34/47/05/327344705.db2.gz LMEVEQFVHJRTFR-YPMHNXCESA-N 1 0 361.427 2.455 20 5 FEBDRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715936 327345545 /nfs/dbraw/zinc/34/55/45/327345545.db2.gz GUWJJPHHFVRIIL-CYBMUJFWSA-N 1 0 374.319 2.183 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCN(c2ccccn2)CC1 ZINC000174881610 327357456 /nfs/dbraw/zinc/35/74/56/327357456.db2.gz XTOWVOQTFGLBNF-UHFFFAOYSA-N 1 0 358.446 2.425 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077907 327372422 /nfs/dbraw/zinc/37/24/22/327372422.db2.gz FXCJTSIDHXRGGT-RYUDHWBXSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000175091014 327373302 /nfs/dbraw/zinc/37/33/02/327373302.db2.gz SYKHKSAYVYLIMI-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000175089607 327373468 /nfs/dbraw/zinc/37/34/68/327373468.db2.gz YZROREHJYZATOV-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1C ZINC000261601932 328804523 /nfs/dbraw/zinc/80/45/23/328804523.db2.gz BOENKEWRIFJHAV-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261608607 328805099 /nfs/dbraw/zinc/80/50/99/328805099.db2.gz ASCPITFRPYVZSZ-ONGXEEELSA-N 1 0 361.851 2.162 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264315949 329009609 /nfs/dbraw/zinc/00/96/09/329009609.db2.gz OZSCYZGIJQWEMV-OAHLLOKOSA-N 1 0 369.425 2.065 20 5 FEBDRO Cc1sc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000264726455 329053848 /nfs/dbraw/zinc/05/38/48/329053848.db2.gz HKWBVEMDWJQRHC-UHFFFAOYSA-N 1 0 366.487 2.064 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1 ZINC000264746612 329056112 /nfs/dbraw/zinc/05/61/12/329056112.db2.gz LAISHBFONYVQAX-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO CC(C)n1c(Sc2c([N+](=O)[O-])ncn2C)nnc1[C@H]1CCC[NH2+]C1 ZINC000265484491 329132000 /nfs/dbraw/zinc/13/20/00/329132000.db2.gz UHHFBPHJCIJXLN-JTQLQIEISA-N 1 0 351.436 2.119 20 5 FEBDRO Cc1nn(C)c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000265493524 329132746 /nfs/dbraw/zinc/13/27/46/329132746.db2.gz WHUVPZUOTFXUJG-SNVBAGLBSA-N 1 0 363.447 2.181 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920583 329172721 /nfs/dbraw/zinc/17/27/21/329172721.db2.gz CAQIJLIYKIAPRA-YPMHNXCESA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000266194624 329199301 /nfs/dbraw/zinc/19/93/01/329199301.db2.gz CDLHDFPFWVLPLE-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266285559 329207923 /nfs/dbraw/zinc/20/79/23/329207923.db2.gz KPEGGJJRXYLBKA-GFCCVEGCSA-N 1 0 359.423 2.229 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000267863470 329363962 /nfs/dbraw/zinc/36/39/62/329363962.db2.gz SPXXFCQCSNBVDV-UHFFFAOYSA-N 1 0 365.356 2.363 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268072864 329382557 /nfs/dbraw/zinc/38/25/57/329382557.db2.gz FQYZYFVCLBNCQS-UHFFFAOYSA-N 1 0 358.826 2.016 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000270187183 329580555 /nfs/dbraw/zinc/58/05/55/329580555.db2.gz OAXFPKQSDHRPDI-CQSZACIVSA-N 1 0 367.471 2.166 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000270747361 329627830 /nfs/dbraw/zinc/62/78/30/329627830.db2.gz BJIGTXBNNBYEFC-UHFFFAOYSA-N 1 0 363.443 2.032 20 5 FEBDRO Cc1c(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272982962 329828066 /nfs/dbraw/zinc/82/80/66/329828066.db2.gz JLWJJDICSGECEQ-MRXNPFEDSA-N 1 0 350.375 2.239 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273119508 329838678 /nfs/dbraw/zinc/83/86/78/329838678.db2.gz HEMUOTBXGNMIOF-SUNYJGFJSA-N 1 0 366.414 2.046 20 5 FEBDRO CS[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274706432 329972683 /nfs/dbraw/zinc/97/26/83/329972683.db2.gz WJCXWNQQEAIMQR-QWRGUYRKSA-N 1 0 353.473 2.320 20 5 FEBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275106752 330011080 /nfs/dbraw/zinc/01/10/80/330011080.db2.gz DTLJRKTVWHRPGQ-UHFFFAOYSA-N 1 0 358.167 2.146 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275122254 330012540 /nfs/dbraw/zinc/01/25/40/330012540.db2.gz JXFUHDXCCMBBQZ-XVKPBYJWSA-N 1 0 360.183 2.224 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275539897 330061343 /nfs/dbraw/zinc/06/13/43/330061343.db2.gz MNTWTMXEMINTAR-KBPBESRZSA-N 1 0 357.414 2.361 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275539901 330061395 /nfs/dbraw/zinc/06/13/95/330061395.db2.gz MNTWTMXEMINTAR-KGLIPLIRSA-N 1 0 357.414 2.361 20 5 FEBDRO Cc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000371467165 330245638 /nfs/dbraw/zinc/24/56/38/330245638.db2.gz WPEQUHNKTFDVMC-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426243894 330271543 /nfs/dbraw/zinc/27/15/43/330271543.db2.gz FYYKHGQQIACTFN-UHFFFAOYSA-N 1 0 357.357 2.324 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1[N+](=O)[O-] ZINC000433164727 330274293 /nfs/dbraw/zinc/27/42/93/330274293.db2.gz ACKRZMNMDRPZJK-HUUCEWRRSA-N 1 0 365.430 2.325 20 5 FEBDRO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555142983 674349564 /nfs/dbraw/zinc/34/95/64/674349564.db2.gz RJLGHFDPCQYWIS-ZDUSSCGKSA-N 1 0 363.805 2.457 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942224 534145617 /nfs/dbraw/zinc/14/56/17/534145617.db2.gz RKZCULSRISTJBM-ZIAGYGMSSA-N 1 0 362.430 2.101 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000155535642 545538928 /nfs/dbraw/zinc/53/89/28/545538928.db2.gz ASTXOAVSQOWLIL-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000155535759 545539701 /nfs/dbraw/zinc/53/97/01/545539701.db2.gz ASTXOAVSQOWLIL-KDOFPFPSSA-N 1 0 369.425 2.337 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000156509754 545631965 /nfs/dbraw/zinc/63/19/65/545631965.db2.gz RTMMBYPWFZYXQZ-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156641300 545642382 /nfs/dbraw/zinc/64/23/82/545642382.db2.gz XUIWGSFLUGDNSF-BBRMVZONSA-N 1 0 354.410 2.427 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000157913238 545799048 /nfs/dbraw/zinc/79/90/48/545799048.db2.gz ALVHDIBRSOFNOQ-UHFFFAOYSA-N 1 0 369.385 2.116 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159547587 545962732 /nfs/dbraw/zinc/96/27/32/545962732.db2.gz RSSSIKWNZHJXIY-MKBNYLNASA-N 1 0 351.403 2.023 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176000924 546388021 /nfs/dbraw/zinc/38/80/21/546388021.db2.gz LLOVBOSSFRPBTM-AWEZNQCLSA-N 1 0 364.446 2.374 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000480277448 561206339 /nfs/dbraw/zinc/20/63/39/561206339.db2.gz WWXNRSUDXLUEJU-KRWDZBQOSA-N 1 0 366.487 2.340 20 5 FEBDRO CSc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000480288108 561206476 /nfs/dbraw/zinc/20/64/76/561206476.db2.gz HHXIRGBEUABJOJ-OAHLLOKOSA-N 1 0 355.485 2.484 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@@H+]1C1CC1 ZINC000177094513 546543744 /nfs/dbraw/zinc/54/37/44/546543744.db2.gz NIALHKMTZBCBHD-TZMCWYRMSA-N 1 0 355.398 2.136 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@@H+]1C1CC1 ZINC000177142624 546553338 /nfs/dbraw/zinc/55/33/38/546553338.db2.gz KTDXFAVYKSMJFE-STQMWFEESA-N 1 0 355.398 2.136 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161190 546558484 /nfs/dbraw/zinc/55/84/84/546558484.db2.gz WEECYGFNDQZOPH-NWDGAFQWSA-N 1 0 363.414 2.357 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000177205898 546569739 /nfs/dbraw/zinc/56/97/39/546569739.db2.gz DVBYBEWPPVXCAJ-VXGBXAGGSA-N 1 0 363.414 2.357 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177318984 546593055 /nfs/dbraw/zinc/59/30/55/546593055.db2.gz GEOTZDWCMPRNBE-WBVHZDCISA-N 1 0 358.442 2.043 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177345545 546597494 /nfs/dbraw/zinc/59/74/94/546597494.db2.gz YUBIKGYYEJPBAY-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000177500756 546631825 /nfs/dbraw/zinc/63/18/25/546631825.db2.gz QXFXIFBWGFZZAQ-KBPBESRZSA-N 1 0 357.414 2.383 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000481897101 561244845 /nfs/dbraw/zinc/24/48/45/561244845.db2.gz UCTSJGSYLHSPTC-UHFFFAOYSA-N 1 0 361.427 2.129 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482515971 561255328 /nfs/dbraw/zinc/25/53/28/561255328.db2.gz BAQVZWIJHIFXLA-MVQRFQBOSA-N 1 0 351.403 2.094 20 5 FEBDRO CCCCCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000181403563 547309088 /nfs/dbraw/zinc/30/90/88/547309088.db2.gz MLLYCTSWPMXXAI-UHFFFAOYSA-N 1 0 355.460 2.311 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000181513988 547327243 /nfs/dbraw/zinc/32/72/43/547327243.db2.gz SVWMHLHHPINLCI-LLVKDONJSA-N 1 0 361.489 2.228 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000483407322 561276236 /nfs/dbraw/zinc/27/62/36/561276236.db2.gz MXVHAGDZXWNZLV-LSDHHAIUSA-N 1 0 353.419 2.386 20 5 FEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182299659 547470066 /nfs/dbraw/zinc/47/00/66/547470066.db2.gz ZKMBZPBKWPWOAR-CZUORRHYSA-N 1 0 351.403 2.479 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182668457 547530301 /nfs/dbraw/zinc/53/03/01/547530301.db2.gz HQOBYRAMPMWCOA-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183289697 547633875 /nfs/dbraw/zinc/63/38/75/547633875.db2.gz SBTFTBGXMHWYNA-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183454180 547662524 /nfs/dbraw/zinc/66/25/24/547662524.db2.gz YQTUSZUMJASZRZ-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000183525722 547675330 /nfs/dbraw/zinc/67/53/30/547675330.db2.gz WLZVOSRCSBUUIY-ZDUSSCGKSA-N 1 0 367.421 2.143 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000183622053 547691570 /nfs/dbraw/zinc/69/15/70/547691570.db2.gz ZGJZTFVZSAZDLR-ZDUSSCGKSA-N 1 0 353.423 2.171 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183785204 547719612 /nfs/dbraw/zinc/71/96/12/547719612.db2.gz CEEPIXLAPJUJML-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183897663 547736222 /nfs/dbraw/zinc/73/62/22/547736222.db2.gz YWFFUXDUFQPGRF-LLVKDONJSA-N 1 0 371.319 2.369 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000184206331 547786432 /nfs/dbraw/zinc/78/64/32/547786432.db2.gz WTGFURLMYSSFKG-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184673697 547863516 /nfs/dbraw/zinc/86/35/16/547863516.db2.gz JPYPHDXPGOPQFP-UHFFFAOYSA-N 1 0 358.826 2.016 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000184791662 547880002 /nfs/dbraw/zinc/88/00/02/547880002.db2.gz TWADEPDCQSLHFO-INIZCTEOSA-N 1 0 363.458 2.391 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184982288 547912263 /nfs/dbraw/zinc/91/22/63/547912263.db2.gz FRPHTFZRIOAMSF-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185181269 547948013 /nfs/dbraw/zinc/94/80/13/547948013.db2.gz YIVKLQGCJJASKI-BBRMVZONSA-N 1 0 354.410 2.427 20 5 FEBDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561258 561322544 /nfs/dbraw/zinc/32/25/44/561322544.db2.gz SMBLNVCHBNJQCA-JQWIXIFHSA-N 1 0 374.363 2.339 20 5 FEBDRO CCOC(=O)c1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000186815280 548199083 /nfs/dbraw/zinc/19/90/83/548199083.db2.gz KVLOFFJEWHSUJO-CYBMUJFWSA-N 1 0 365.430 2.053 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000187060112 548249600 /nfs/dbraw/zinc/24/96/00/548249600.db2.gz HRIMSNUCQCGSIW-CQSZACIVSA-N 1 0 360.370 2.164 20 5 FEBDRO COC(=O)c1cnc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000190165713 548318485 /nfs/dbraw/zinc/31/84/85/548318485.db2.gz XCHZCMBMXLGVMQ-UHFFFAOYSA-N 1 0 370.409 2.141 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)[NH+](C)C ZINC000193099176 548380075 /nfs/dbraw/zinc/38/00/75/548380075.db2.gz XXNOCMXWKQJKGG-CQSZACIVSA-N 1 0 373.475 2.248 20 5 FEBDRO CC[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000193989548 548417954 /nfs/dbraw/zinc/41/79/54/548417954.db2.gz VLGISGWEUJXKPZ-INIZCTEOSA-N 1 0 370.409 2.432 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000486705151 561354831 /nfs/dbraw/zinc/35/48/31/561354831.db2.gz WACXCHWJPVMTSV-UHFFFAOYSA-N 1 0 353.444 2.186 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891645 561359059 /nfs/dbraw/zinc/35/90/59/561359059.db2.gz DCRSIQIDBSZXLH-RYUDHWBXSA-N 1 0 364.402 2.246 20 5 FEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000195241441 548601739 /nfs/dbraw/zinc/60/17/39/548601739.db2.gz CVHZDNYOTZTAKB-GASCZTMLSA-N 1 0 358.442 2.123 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195459612 548643427 /nfs/dbraw/zinc/64/34/27/548643427.db2.gz GTAMTTNPMHYDFG-KBPBESRZSA-N 1 0 366.487 2.287 20 5 FEBDRO COCC[NH2+]CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000237335457 548819333 /nfs/dbraw/zinc/81/93/33/548819333.db2.gz ICFWCPIUIGHDQA-UHFFFAOYSA-N 1 0 358.398 2.304 20 5 FEBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245430325 548917757 /nfs/dbraw/zinc/91/77/57/548917757.db2.gz NMSOJASXCMJENR-GOEBONIOSA-N 1 0 356.444 2.261 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488020727 561381538 /nfs/dbraw/zinc/38/15/38/561381538.db2.gz BYPKQLZLYXXYTK-JYJNAYRXSA-N 1 0 352.431 2.472 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245657379 548967520 /nfs/dbraw/zinc/96/75/20/548967520.db2.gz DXPYOIMAQNUIGH-CZUORRHYSA-N 1 0 369.425 2.212 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000245931432 549023083 /nfs/dbraw/zinc/02/30/83/549023083.db2.gz UYJZWSFGYLEWQG-HOTGVXAUSA-N 1 0 373.384 2.099 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246129063 549058274 /nfs/dbraw/zinc/05/82/74/549058274.db2.gz REOXSDDYRZLNPN-RHSMWYFYSA-N 1 0 357.414 2.434 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000488493718 561390671 /nfs/dbraw/zinc/39/06/71/561390671.db2.gz YFWDBBJFFBOSFR-XZOAIXRZSA-N 1 0 357.414 2.482 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000246952844 549250438 /nfs/dbraw/zinc/25/04/38/549250438.db2.gz DEMVOHUDEJORMD-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246983790 549256448 /nfs/dbraw/zinc/25/64/48/549256448.db2.gz WBLLTRQOKAHFFW-WMLDXEAASA-N 1 0 358.442 2.482 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247312920 549315520 /nfs/dbraw/zinc/31/55/20/549315520.db2.gz FVTOGSXVWDDAIH-GOEBONIOSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000247307288 549315753 /nfs/dbraw/zinc/31/57/53/549315753.db2.gz QFWBOVPZEVXOOU-WFASDCNBSA-N 1 0 351.378 2.055 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000248039395 549402296 /nfs/dbraw/zinc/40/22/96/549402296.db2.gz LSRYTQRVKXNOCN-BBRMVZONSA-N 1 0 357.414 2.446 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248393197 549427019 /nfs/dbraw/zinc/42/70/19/549427019.db2.gz GKTXUDVWWLXEBG-GDLCADMTSA-N 1 0 359.386 2.340 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458631 549443398 /nfs/dbraw/zinc/44/33/98/549443398.db2.gz NCJQHAJSCSQYQG-PKOBYXMFSA-N 1 0 371.437 2.323 20 5 FEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463936 549445772 /nfs/dbraw/zinc/44/57/72/549445772.db2.gz QTCIURUHDLSIER-HZPDHXFCSA-N 1 0 374.441 2.023 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]12 ZINC000248693536 549484789 /nfs/dbraw/zinc/48/47/89/549484789.db2.gz YGHPENXCZXHXHG-OXHMUOHRSA-N 1 0 354.204 2.167 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000248750476 549496156 /nfs/dbraw/zinc/49/61/56/549496156.db2.gz UEOKFGGWHNJVHS-GUYCJALGSA-N 1 0 365.455 2.232 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000249144748 549560592 /nfs/dbraw/zinc/56/05/92/549560592.db2.gz ZWYSJLWFCFYQME-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000489887985 561421468 /nfs/dbraw/zinc/42/14/68/561421468.db2.gz XGPFQYIHRKLXDB-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261603029 549733263 /nfs/dbraw/zinc/73/32/63/549733263.db2.gz CEFOJGMTIPASCF-NOZJJQNGSA-N 1 0 354.204 2.181 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])cc1OC ZINC000261710113 549745799 /nfs/dbraw/zinc/74/57/99/549745799.db2.gz GCXDQWOSXYVKDA-BETUJISGSA-N 1 0 363.414 2.074 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261847803 549762603 /nfs/dbraw/zinc/76/26/03/549762603.db2.gz JEJWHRBZTNDUGZ-ZDUSSCGKSA-N 1 0 361.851 2.305 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262392163 549816539 /nfs/dbraw/zinc/81/65/39/549816539.db2.gz OIMSOUIDUQNMKJ-INIZCTEOSA-N 1 0 370.409 2.480 20 5 FEBDRO CCCN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000262525166 549826197 /nfs/dbraw/zinc/82/61/97/549826197.db2.gz LFZKRNPYNBDJJX-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262608160 549832169 /nfs/dbraw/zinc/83/21/69/549832169.db2.gz CFPXMESNIHZLIB-ZJUUUORDSA-N 1 0 354.204 2.324 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000490439712 561433125 /nfs/dbraw/zinc/43/31/25/561433125.db2.gz CJHFFRXXNKVGAQ-CQSZACIVSA-N 1 0 367.471 2.398 20 5 FEBDRO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000490446661 561433277 /nfs/dbraw/zinc/43/32/77/561433277.db2.gz BXNZJNKTRMDTNA-SPYBWZPUSA-N 1 0 363.458 2.029 20 5 FEBDRO Cc1cnc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000491320796 561444740 /nfs/dbraw/zinc/44/47/40/561444740.db2.gz HLYCLCRVSMHUTI-LJQANCHMSA-N 1 0 356.426 2.371 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000268495816 550076402 /nfs/dbraw/zinc/07/64/02/550076402.db2.gz SXWCCAAKTONJSX-UHFFFAOYSA-N 1 0 360.414 2.041 20 5 FEBDRO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269160247 550162610 /nfs/dbraw/zinc/16/26/10/550162610.db2.gz LLHUSUYKJBLYMR-UHFFFAOYSA-N 1 0 358.354 2.084 20 5 FEBDRO C[NH+]1CCC(Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000269380116 550188083 /nfs/dbraw/zinc/18/80/83/550188083.db2.gz RUOWLMPKROEWCQ-UHFFFAOYSA-N 1 0 363.805 2.300 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1=O ZINC000270151287 550252405 /nfs/dbraw/zinc/25/24/05/550252405.db2.gz RDXBKTVLBDXYIL-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO C[NH+](C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCOCC1 ZINC000270358958 550264709 /nfs/dbraw/zinc/26/47/09/550264709.db2.gz JQCNPMSPZYRUKP-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270875799 550316300 /nfs/dbraw/zinc/31/63/00/550316300.db2.gz JQPWTSHWKMYBIR-UHFFFAOYSA-N 1 0 360.458 2.225 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CCCN(C)S(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000271181270 550349550 /nfs/dbraw/zinc/34/95/50/550349550.db2.gz VYGYKUNUQIWINY-ZDUSSCGKSA-N 1 0 373.475 2.316 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000271272589 550359751 /nfs/dbraw/zinc/35/97/51/550359751.db2.gz OPXFPRAACNIFOC-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000271433937 550375013 /nfs/dbraw/zinc/37/50/13/550375013.db2.gz SCITVNPMFGOUJG-GOEBONIOSA-N 1 0 371.441 2.453 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000272069180 550420477 /nfs/dbraw/zinc/42/04/77/550420477.db2.gz BSMIBSUUHPSZAQ-NSHDSACASA-N 1 0 361.427 2.157 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272262674 550432452 /nfs/dbraw/zinc/43/24/52/550432452.db2.gz AVIMHEJZYXSGQR-MEDUHNTESA-N 1 0 356.382 2.015 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000272298048 550435616 /nfs/dbraw/zinc/43/56/16/550435616.db2.gz IGKVPHSMDTUHOV-UONOGXRCSA-N 1 0 355.460 2.225 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCCO)Cc1ccccc1 ZINC000273278223 550492697 /nfs/dbraw/zinc/49/26/97/550492697.db2.gz CXGCYHFKLCVBNX-QGZVFWFLSA-N 1 0 360.410 2.219 20 5 FEBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274511410 550541508 /nfs/dbraw/zinc/54/15/08/550541508.db2.gz XOWOTPACIJDXCO-CYBMUJFWSA-N 1 0 360.414 2.097 20 5 FEBDRO CCOc1cc(C[N@H+](CCO)CCOCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000276828527 550600537 /nfs/dbraw/zinc/60/05/37/550600537.db2.gz ATKBGKVORYKNNH-UHFFFAOYSA-N 1 0 366.336 2.367 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000276932185 550612760 /nfs/dbraw/zinc/61/27/60/550612760.db2.gz AHQBMMZELZMZHB-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277511486 550679470 /nfs/dbraw/zinc/67/94/70/550679470.db2.gz QCHCJRCWNMLAEG-CYBMUJFWSA-N 1 0 366.418 2.226 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000277709322 550704689 /nfs/dbraw/zinc/70/46/89/550704689.db2.gz WNLYEZIXOMVPSC-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733773 550707924 /nfs/dbraw/zinc/70/79/24/550707924.db2.gz OHJFJZVUQFIQLR-QWHCGFSZSA-N 1 0 374.445 2.391 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277946032 550731716 /nfs/dbraw/zinc/73/17/16/550731716.db2.gz CJUHPAQQYPDDCC-CYBMUJFWSA-N 1 0 374.445 2.248 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000278289281 550769294 /nfs/dbraw/zinc/76/92/94/550769294.db2.gz PRUVFNWDYYYXKY-SCZZXKLOSA-N 1 0 359.329 2.075 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000278310540 550771722 /nfs/dbraw/zinc/77/17/22/550771722.db2.gz SXAUJYXIBPFDIB-CBAPKCEASA-N 1 0 360.183 2.367 20 5 FEBDRO CCn1nccc1C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000278765907 550819636 /nfs/dbraw/zinc/81/96/36/550819636.db2.gz BZBWBWBEGKRLLX-UHFFFAOYSA-N 1 0 357.414 2.290 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+](C)C2(CCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000495445503 561488121 /nfs/dbraw/zinc/48/81/21/561488121.db2.gz WPDJKWCKBOEIOA-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000280035622 550954656 /nfs/dbraw/zinc/95/46/56/550954656.db2.gz NZLNJVKGKVEHPE-UHFFFAOYSA-N 1 0 372.429 2.348 20 5 FEBDRO CCOc1cc(N2CC[NH+](CC[C@@H]3CCOC3=O)CC2)ccc1[N+](=O)[O-] ZINC000280163888 550966863 /nfs/dbraw/zinc/96/68/63/550966863.db2.gz FINOFPSBRCVQIF-CQSZACIVSA-N 1 0 363.414 2.069 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280337138 550982450 /nfs/dbraw/zinc/98/24/50/550982450.db2.gz HNJCKNCIHNATEP-KBXCAEBGSA-N 1 0 363.414 2.112 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000496211829 561493142 /nfs/dbraw/zinc/49/31/42/561493142.db2.gz SYLRALPSSXLBBF-MRXNPFEDSA-N 1 0 371.441 2.455 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000281883045 551152733 /nfs/dbraw/zinc/15/27/33/551152733.db2.gz AJXHIZNEIKCGMW-YOEHRIQHSA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282040904 551172951 /nfs/dbraw/zinc/17/29/51/551172951.db2.gz LNBNKAPCCXORBD-INIZCTEOSA-N 1 0 368.455 2.307 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000282450901 551231211 /nfs/dbraw/zinc/23/12/11/551231211.db2.gz FJXJVAZBMMTDSD-PIGZYNQJSA-N 1 0 367.377 2.194 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000282478888 551234793 /nfs/dbraw/zinc/23/47/93/551234793.db2.gz LMGJGIHEKZZXJK-SFHVURJKSA-N 1 0 361.442 2.239 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000282749724 551266273 /nfs/dbraw/zinc/26/62/73/551266273.db2.gz BBOORNUBUHUKJD-CQSZACIVSA-N 1 0 365.821 2.172 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276649 551340223 /nfs/dbraw/zinc/34/02/23/551340223.db2.gz WXHSFCUJCATINT-NWDGAFQWSA-N 1 0 367.402 2.109 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284855056 551651116 /nfs/dbraw/zinc/65/11/16/551651116.db2.gz LVMSYSCTUUIORC-XJKSGUPXSA-N 1 0 361.450 2.348 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000498566278 561528708 /nfs/dbraw/zinc/52/87/08/561528708.db2.gz DQFWDDXETAGUKE-VXGBXAGGSA-N 1 0 358.398 2.403 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284898286 551661960 /nfs/dbraw/zinc/66/19/60/551661960.db2.gz RRNOFBVWVNONRE-IAGOWNOFSA-N 1 0 372.425 2.197 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498644506 561530860 /nfs/dbraw/zinc/53/08/60/561530860.db2.gz RSABKDBXBDUFET-GFCCVEGCSA-N 1 0 355.460 2.293 20 5 FEBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417462 551752969 /nfs/dbraw/zinc/75/29/69/551752969.db2.gz BRNMXFJRMWULDT-XHSDSOJGSA-N 1 0 352.431 2.350 20 5 FEBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508401 551767405 /nfs/dbraw/zinc/76/74/05/551767405.db2.gz NUOBKRLAFGDXCM-CVEARBPZSA-N 1 0 351.403 2.181 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000285875803 551822254 /nfs/dbraw/zinc/82/22/54/551822254.db2.gz QOIGIPQOJQAVAZ-LRDDRELGSA-N 1 0 361.398 2.080 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000285966554 551832832 /nfs/dbraw/zinc/83/28/32/551832832.db2.gz DLRIKBGCEQCEFX-TZMCWYRMSA-N 1 0 351.403 2.073 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286031196 551840570 /nfs/dbraw/zinc/84/05/70/551840570.db2.gz QJMKXHIBTZHMAV-CEXWTWQISA-N 1 0 369.421 2.261 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286101956 551848783 /nfs/dbraw/zinc/84/87/83/551848783.db2.gz LCXUXVGKDWHYAM-UHFFFAOYSA-N 1 0 350.448 2.037 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247895 551865559 /nfs/dbraw/zinc/86/55/59/551865559.db2.gz SBCFOVFFTXUEFA-OCCSQVGLSA-N 1 0 351.403 2.073 20 5 FEBDRO C[NH+](C)C/C=C/C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286436794 551885270 /nfs/dbraw/zinc/88/52/70/551885270.db2.gz XSWIXNWAPKAADK-ONEGZZNKSA-N 1 0 368.231 2.360 20 5 FEBDRO Nc1nc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000286497001 551892814 /nfs/dbraw/zinc/89/28/14/551892814.db2.gz XUZPEEWLZRXIFP-GOSISDBHSA-N 1 0 354.414 2.069 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000286876743 551935632 /nfs/dbraw/zinc/93/56/32/551935632.db2.gz CDSOIKDFYMXELP-XJKSGUPXSA-N 1 0 352.456 2.330 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287185111 551974022 /nfs/dbraw/zinc/97/40/22/551974022.db2.gz NUYSVDGGSLBTGB-HIFRSBDPSA-N 1 0 362.430 2.372 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000287436432 552003814 /nfs/dbraw/zinc/00/38/14/552003814.db2.gz QWDJROVHDYSHIO-HOCLYGCPSA-N 1 0 361.442 2.455 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000287749482 552042056 /nfs/dbraw/zinc/04/20/56/552042056.db2.gz ARELCYQPZGWWDK-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499897259 561560876 /nfs/dbraw/zinc/56/08/76/561560876.db2.gz QHQAXHSFJQOREL-CQSZACIVSA-N 1 0 360.414 2.259 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000500115677 561566306 /nfs/dbraw/zinc/56/63/06/561566306.db2.gz SJQWLOXBMKXWEH-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000500176532 561567360 /nfs/dbraw/zinc/56/73/60/561567360.db2.gz FRIIURODLJKDMT-YOEHRIQHSA-N 1 0 374.445 2.090 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290190275 552440644 /nfs/dbraw/zinc/44/06/44/552440644.db2.gz QHGGCKXYXNFWHY-RKDXNWHRSA-N 1 0 372.194 2.178 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291085025 552585389 /nfs/dbraw/zinc/58/53/89/552585389.db2.gz HBCSRJBXHBQBBG-CQSZACIVSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000292044683 552687822 /nfs/dbraw/zinc/68/78/22/552687822.db2.gz ZULRDIGVDLUQIT-AWEZNQCLSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292077171 552691383 /nfs/dbraw/zinc/69/13/83/552691383.db2.gz FHDCDPRKAZJLNG-HOTGVXAUSA-N 1 0 350.415 2.083 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC000292083295 552691947 /nfs/dbraw/zinc/69/19/47/552691947.db2.gz CQUPDEDEIUXXRU-HXUWFJFHSA-N 1 0 372.469 2.365 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293568151 552836109 /nfs/dbraw/zinc/83/61/09/552836109.db2.gz XWFSVQJSNIVKHP-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293572767 552836554 /nfs/dbraw/zinc/83/65/54/552836554.db2.gz YDZFRCDEJBNVBH-KCJUWKMLSA-N 1 0 372.194 2.320 20 5 FEBDRO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000293760945 552853768 /nfs/dbraw/zinc/85/37/68/552853768.db2.gz UIXRPQLRESKVMG-LBPRGKRZSA-N 1 0 357.414 2.418 20 5 FEBDRO Cc1c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294223560 552889193 /nfs/dbraw/zinc/88/91/93/552889193.db2.gz RFNXKOKDRPWDPS-QGZVFWFLSA-N 1 0 362.386 2.369 20 5 FEBDRO Cc1ccc(C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000295191144 552968190 /nfs/dbraw/zinc/96/81/90/552968190.db2.gz XIQZHRJMGQSQSX-CQSZACIVSA-N 1 0 353.419 2.221 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000295298989 552983731 /nfs/dbraw/zinc/98/37/31/552983731.db2.gz QVWLKOSFBLXKNA-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295340366 552990467 /nfs/dbraw/zinc/99/04/67/552990467.db2.gz NLPYFVIDTBYLSU-YOGCLGLASA-N 1 0 373.862 2.460 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502682834 561623422 /nfs/dbraw/zinc/62/34/22/561623422.db2.gz XFSJUJNJVJFJFU-AFAVFJNCSA-N 1 0 365.405 2.159 20 5 FEBDRO Cc1cc(F)c(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000296557871 553179111 /nfs/dbraw/zinc/17/91/11/553179111.db2.gz NMHLPBFNRUIJOG-LBPRGKRZSA-N 1 0 368.409 2.073 20 5 FEBDRO Cc1cc(F)c(NC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000296843935 553219117 /nfs/dbraw/zinc/21/91/17/553219117.db2.gz UFGNKDZLFODDJD-RYUDHWBXSA-N 1 0 354.382 2.273 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000296884454 553225103 /nfs/dbraw/zinc/22/51/03/553225103.db2.gz JJCMDJPIUFBLHZ-GFCCVEGCSA-N 1 0 358.398 2.405 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000297446399 553292951 /nfs/dbraw/zinc/29/29/51/553292951.db2.gz SCTXYKHOXAYOFW-ZDUSSCGKSA-N 1 0 362.430 2.229 20 5 FEBDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000297736845 553332231 /nfs/dbraw/zinc/33/22/31/553332231.db2.gz CWNPOQMYRBVLKC-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000297861671 553349308 /nfs/dbraw/zinc/34/93/08/553349308.db2.gz IACQJTRUMCDOGD-GOEBONIOSA-N 1 0 364.446 2.110 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000297978172 553365349 /nfs/dbraw/zinc/36/53/49/553365349.db2.gz VXUSUACTVHOWAQ-UHFFFAOYSA-N 1 0 362.430 2.142 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000298033460 553374408 /nfs/dbraw/zinc/37/44/08/553374408.db2.gz FVLKHSOHKVDXAF-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000298065174 553379560 /nfs/dbraw/zinc/37/95/60/553379560.db2.gz JCWYGHPMSATLDC-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000503561929 561644541 /nfs/dbraw/zinc/64/45/41/561644541.db2.gz HAYKGRDRKAUPAS-ZDUSSCGKSA-N 1 0 360.418 2.145 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000298722925 553464105 /nfs/dbraw/zinc/46/41/05/553464105.db2.gz BEUXQUGFEYYXEH-OAHLLOKOSA-N 1 0 374.441 2.283 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1cccs1 ZINC000298799442 553474491 /nfs/dbraw/zinc/47/44/91/553474491.db2.gz QIVMDVKCVTXJQT-ZDUSSCGKSA-N 1 0 370.456 2.019 20 5 FEBDRO CCc1cc(NCCN2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299058346 553509898 /nfs/dbraw/zinc/50/98/98/553509898.db2.gz KTEISTKSCWBDPF-UHFFFAOYSA-N 1 0 370.457 2.274 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113049 553516904 /nfs/dbraw/zinc/51/69/04/553516904.db2.gz WUUYXYVDDODTFL-DLBZAZTESA-N 1 0 355.398 2.137 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000299122696 553518395 /nfs/dbraw/zinc/51/83/95/553518395.db2.gz JLWNXIQEBPJRML-HNNXBMFYSA-N 1 0 361.402 2.118 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000299429465 553562042 /nfs/dbraw/zinc/56/20/42/553562042.db2.gz XMAUJTZKMGUATO-GDBMZVCRSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000299450106 553564720 /nfs/dbraw/zinc/56/47/20/553564720.db2.gz ZBRYIOYMVCAHPY-UHFFFAOYSA-N 1 0 374.397 2.025 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301085683 553620200 /nfs/dbraw/zinc/62/02/00/553620200.db2.gz JEFJXODSSXEFGA-LLVKDONJSA-N 1 0 352.391 2.448 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)c1 ZINC000301214679 553631717 /nfs/dbraw/zinc/63/17/17/553631717.db2.gz WZTVJRNXXMAAFT-UHFFFAOYSA-N 1 0 360.399 2.034 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC000301274870 553638137 /nfs/dbraw/zinc/63/81/37/553638137.db2.gz IPEPHTQDCUGPCK-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@@H+]1CCc2ccccc2C1 ZINC000301922557 553692166 /nfs/dbraw/zinc/69/21/66/553692166.db2.gz LJMHEWYCGYYGAV-CYBMUJFWSA-N 1 0 352.398 2.496 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000302022326 553698764 /nfs/dbraw/zinc/69/87/64/553698764.db2.gz ITGPVLFSILAQSC-AWEZNQCLSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000326350627 553780170 /nfs/dbraw/zinc/78/01/70/553780170.db2.gz YMIDPMSJTRMMJY-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000506653319 561705041 /nfs/dbraw/zinc/70/50/41/561705041.db2.gz JTGMWSQMYZYRRD-UHFFFAOYSA-N 1 0 363.414 2.384 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507380840 561727202 /nfs/dbraw/zinc/72/72/02/561727202.db2.gz MJOCKQKXRTVHQT-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000507764401 561740148 /nfs/dbraw/zinc/74/01/48/561740148.db2.gz VHEJDHDOSKLZRE-UHFFFAOYSA-N 1 0 366.393 2.007 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331218809 554232409 /nfs/dbraw/zinc/23/24/09/554232409.db2.gz ACZKJNSETOPXCZ-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331881162 554337652 /nfs/dbraw/zinc/33/76/52/554337652.db2.gz IMGPTBAZMNFOFN-SWLSCSKDSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000331910139 554344474 /nfs/dbraw/zinc/34/44/74/554344474.db2.gz MUAZIQSDVODOCY-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028472 554366138 /nfs/dbraw/zinc/36/61/38/554366138.db2.gz JGJVTEGGZKFQJL-HOCLYGCPSA-N 1 0 360.458 2.289 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000332080175 554376009 /nfs/dbraw/zinc/37/60/09/554376009.db2.gz JIOGUEBGUBQVKU-GJZGRUSLSA-N 1 0 353.419 2.386 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332226161 554405138 /nfs/dbraw/zinc/40/51/38/554405138.db2.gz ODWHJPNIYSRGBH-MRXNPFEDSA-N 1 0 358.398 2.261 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000332331013 554426888 /nfs/dbraw/zinc/42/68/88/554426888.db2.gz QGXNCUIQYHCZHJ-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000332461709 554450105 /nfs/dbraw/zinc/45/01/05/554450105.db2.gz JLWIYNRKAQEHFB-OKILXGFUSA-N 1 0 364.446 2.274 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000332574020 554474926 /nfs/dbraw/zinc/47/49/26/554474926.db2.gz ZWGNLTCHHBSUMA-UHFFFAOYSA-N 1 0 352.366 2.062 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000510665370 561842703 /nfs/dbraw/zinc/84/27/03/561842703.db2.gz NRYWVWBBZCZXRP-CJNGLKHVSA-N 1 0 373.450 2.381 20 5 FEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)n1C ZINC000350430491 554788334 /nfs/dbraw/zinc/78/83/34/554788334.db2.gz CTPRLJBYPDUGDI-HNNXBMFYSA-N 1 0 352.370 2.356 20 5 FEBDRO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000361680778 554928481 /nfs/dbraw/zinc/92/84/81/554928481.db2.gz GQAYUKGHLKWLDK-ZIEDNJRCSA-N 1 0 359.426 2.177 20 5 FEBDRO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000361680776 554928518 /nfs/dbraw/zinc/92/85/18/554928518.db2.gz GQAYUKGHLKWLDK-FKUVRRMFSA-N 1 0 359.426 2.177 20 5 FEBDRO CNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813543 554936214 /nfs/dbraw/zinc/93/62/14/554936214.db2.gz MEFJGFVNTDYXAT-HOCLYGCPSA-N 1 0 362.430 2.010 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363058790 555020829 /nfs/dbraw/zinc/02/08/29/555020829.db2.gz WJVZBTSVIBPTTQ-QPJJXVBHSA-N 1 0 359.426 2.321 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000363145914 555039923 /nfs/dbraw/zinc/03/99/23/555039923.db2.gz UDNRWCIUBGZKMV-JSGCOSHPSA-N 1 0 366.487 2.063 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1cccc([N+](=O)[O-])c1 ZINC000363532841 555130358 /nfs/dbraw/zinc/13/03/58/555130358.db2.gz DONQDRVMYUQKHU-UHFFFAOYSA-N 1 0 372.473 2.068 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363558485 555136978 /nfs/dbraw/zinc/13/69/78/555136978.db2.gz SAKFQFUUDMHFTR-NUEKZKHPSA-N 1 0 365.455 2.008 20 5 FEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000363703337 555167712 /nfs/dbraw/zinc/16/77/12/555167712.db2.gz UHRGQBRPZVVUGV-UGSOOPFHSA-N 1 0 372.381 2.420 20 5 FEBDRO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901235 555209968 /nfs/dbraw/zinc/20/99/68/555209968.db2.gz YVPOWFVLUWHBSY-GXTWGEPZSA-N 1 0 359.386 2.289 20 5 FEBDRO C[C@@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929027 555216261 /nfs/dbraw/zinc/21/62/61/555216261.db2.gz UQUUNPNGGRAEJF-GLJUWKHASA-N 1 0 363.414 2.192 20 5 FEBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000363958920 555221971 /nfs/dbraw/zinc/22/19/71/555221971.db2.gz DPUOEJDYCLLWPZ-QGZVFWFLSA-N 1 0 369.425 2.282 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000364012543 555233052 /nfs/dbraw/zinc/23/30/52/555233052.db2.gz PFTPKSJYSRMVRX-UHFFFAOYSA-N 1 0 374.397 2.164 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364143941 555257885 /nfs/dbraw/zinc/25/78/85/555257885.db2.gz NZVKGXNORBXRBW-FYWRMAATSA-N 1 0 361.442 2.303 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364195280 555267484 /nfs/dbraw/zinc/26/74/84/555267484.db2.gz MBKJHXVUZPPRHY-HUUCEWRRSA-N 1 0 358.373 2.099 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000364479605 555321447 /nfs/dbraw/zinc/32/14/47/555321447.db2.gz MKIXIKQTSSGHSN-UHFFFAOYSA-N 1 0 369.425 2.130 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000364553293 555336441 /nfs/dbraw/zinc/33/64/41/555336441.db2.gz CAPFYGRVCJISFX-KXBFYZLASA-N 1 0 369.425 2.211 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000365093143 555483372 /nfs/dbraw/zinc/48/33/72/555483372.db2.gz SAECFAMEGIJZPN-WMZOPIPTSA-N 1 0 355.398 2.124 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000365223390 555515065 /nfs/dbraw/zinc/51/50/65/555515065.db2.gz UPTMYNCAHJQFCE-DMDPSCGWSA-N 1 0 373.862 2.305 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)Cc1cn2c(n1)CCCC2 ZINC000365425499 555571774 /nfs/dbraw/zinc/57/17/74/555571774.db2.gz FVRCFQKKWFBKCR-UHFFFAOYSA-N 1 0 373.413 2.478 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000366429396 555841069 /nfs/dbraw/zinc/84/10/69/555841069.db2.gz NCCWPKXUQUERRY-HOYMCQNASA-N 1 0 359.426 2.318 20 5 FEBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]12 ZINC000366478519 555855819 /nfs/dbraw/zinc/85/58/19/555855819.db2.gz FCCOHQOFPLFMNW-TZMCWYRMSA-N 1 0 371.418 2.418 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366565353 555877135 /nfs/dbraw/zinc/87/71/35/555877135.db2.gz UQEFCFNDZHIOTA-DZGCQCFKSA-N 1 0 365.434 2.123 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000366571640 555878804 /nfs/dbraw/zinc/87/88/04/555878804.db2.gz IMHJMTSBMQYDOF-UHFFFAOYSA-N 1 0 367.471 2.373 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366822517 555944000 /nfs/dbraw/zinc/94/40/00/555944000.db2.gz GGYUMCSVTNQZKP-SJCJKPOMSA-N 1 0 370.409 2.453 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000366945923 555978690 /nfs/dbraw/zinc/97/86/90/555978690.db2.gz OIBBIZUMSMCQOS-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000367308948 556015127 /nfs/dbraw/zinc/01/51/27/556015127.db2.gz RSBNALZUFNTBSU-FXHACXQTSA-N 1 0 371.393 2.396 20 5 FEBDRO [NH3+]CCc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000367538183 556077075 /nfs/dbraw/zinc/07/70/75/556077075.db2.gz MFEYZQTZUPMGKA-UHFFFAOYSA-N 1 0 361.423 2.238 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC000368336299 556280622 /nfs/dbraw/zinc/28/06/22/556280622.db2.gz MKCAPYIPMWERPG-UHFFFAOYSA-N 1 0 356.382 2.385 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000368384887 556293477 /nfs/dbraw/zinc/29/34/77/556293477.db2.gz KYCLBUPQUVUTJQ-CQSZACIVSA-N 1 0 353.806 2.275 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000368594800 556357377 /nfs/dbraw/zinc/35/73/77/556357377.db2.gz XLTBHYVPQMSGHP-ZBEGNZNMSA-N 1 0 356.382 2.015 20 5 FEBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976427 556465379 /nfs/dbraw/zinc/46/53/79/556465379.db2.gz WGKZQPTZRZXLQD-SIIHOXLZSA-N 1 0 370.409 2.378 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369308924 556570743 /nfs/dbraw/zinc/57/07/43/556570743.db2.gz CYOVFEYTHSCXIE-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369532756 556623326 /nfs/dbraw/zinc/62/33/26/556623326.db2.gz PZWUGJVDBVFKBS-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369590378 556640644 /nfs/dbraw/zinc/64/06/44/556640644.db2.gz FUYIDDVCXORCQY-BMGDILEWSA-N 1 0 359.426 2.229 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000369681923 556667418 /nfs/dbraw/zinc/66/74/18/556667418.db2.gz ALLQJPKBXGXMPZ-HNNXBMFYSA-N 1 0 361.358 2.070 20 5 FEBDRO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000369684022 556668006 /nfs/dbraw/zinc/66/80/06/556668006.db2.gz RJNHIXNEENXECM-ZDUSSCGKSA-N 1 0 361.446 2.218 20 5 FEBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1F)C1(N2CCOCC2)CCCC1 ZINC000370141342 556791880 /nfs/dbraw/zinc/79/18/80/556791880.db2.gz GLHDIRYRFNILOI-CYBMUJFWSA-N 1 0 365.405 2.497 20 5 FEBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000370760954 556960755 /nfs/dbraw/zinc/96/07/55/556960755.db2.gz OKNXXYKMKSNDLP-MLGOLLRUSA-N 1 0 367.833 2.479 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370920075 557015938 /nfs/dbraw/zinc/01/59/38/557015938.db2.gz YVQFZRYJHALZKM-IAQYHMDHSA-N 1 0 363.443 2.203 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000517232726 562081407 /nfs/dbraw/zinc/08/14/07/562081407.db2.gz HTBQPMFSKZNWQW-INIZCTEOSA-N 1 0 351.428 2.131 20 5 FEBDRO Cc1ccc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000371200092 557105597 /nfs/dbraw/zinc/10/55/97/557105597.db2.gz YKBAFIXMYZHFEN-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)cc1 ZINC000371224206 557111979 /nfs/dbraw/zinc/11/19/79/557111979.db2.gz WOOBGBJBKCAKDR-OAHLLOKOSA-N 1 0 367.413 2.039 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360886 557160123 /nfs/dbraw/zinc/16/01/23/557160123.db2.gz LDWVDLOJZCMZBC-PBHICJAKSA-N 1 0 364.833 2.370 20 5 FEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612520 562093801 /nfs/dbraw/zinc/09/38/01/562093801.db2.gz KZZHVUYCRUMSAZ-OCCSQVGLSA-N 1 0 363.418 2.328 20 5 FEBDRO CC1(C)C[N@@H+](C2(CNc3ncc([N+](=O)[O-])c(N)n3)CCCCC2)CCO1 ZINC000518705310 562116800 /nfs/dbraw/zinc/11/68/00/562116800.db2.gz RLAFJKPIIVNDBD-UHFFFAOYSA-N 1 0 364.450 2.193 20 5 FEBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372107387 557381471 /nfs/dbraw/zinc/38/14/71/557381471.db2.gz IXTSWLUWUVQDBV-BRWVUGGUSA-N 1 0 369.425 2.242 20 5 FEBDRO COc1cc(OCC(=O)N2CCCc3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC000372115117 557383216 /nfs/dbraw/zinc/38/32/16/557383216.db2.gz DLCINVPIUHMRBX-UHFFFAOYSA-N 1 0 371.393 2.420 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372157255 557394681 /nfs/dbraw/zinc/39/46/81/557394681.db2.gz RKIIKPKCQNPLNN-MELADBBJSA-N 1 0 363.414 2.289 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000372175339 557399734 /nfs/dbraw/zinc/39/97/34/557399734.db2.gz HTHUKTPGRDCIDO-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000372333763 557442992 /nfs/dbraw/zinc/44/29/92/557442992.db2.gz PJALTZBXYPHPCW-DZGCQCFKSA-N 1 0 371.397 2.135 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391360 557458611 /nfs/dbraw/zinc/45/86/11/557458611.db2.gz AXISOPOWCXZTHZ-LBPRGKRZSA-N 1 0 361.446 2.217 20 5 FEBDRO CC(C)NC(=O)C[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372391676 557458675 /nfs/dbraw/zinc/45/86/75/557458675.db2.gz MQEVKJWQQKLMAN-VMPITWQZSA-N 1 0 360.458 2.140 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372521882 557491336 /nfs/dbraw/zinc/49/13/36/557491336.db2.gz KRYIPIPQPIAIOZ-BPQIPLTHSA-N 1 0 361.442 2.143 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000372544100 557498673 /nfs/dbraw/zinc/49/86/73/557498673.db2.gz JZABASGNSXKWGB-ZIAGYGMSSA-N 1 0 371.441 2.064 20 5 FEBDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951332 557595331 /nfs/dbraw/zinc/59/53/31/557595331.db2.gz WGLZXLZKKJXXPE-JKSUJKDBSA-N 1 0 374.441 2.059 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000373762554 557753772 /nfs/dbraw/zinc/75/37/72/557753772.db2.gz XAYHHVBONZEGDH-WBVHZDCISA-N 1 0 360.414 2.425 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000374176241 557837849 /nfs/dbraw/zinc/83/78/49/557837849.db2.gz RFOOYSMRHPSCSZ-CYBMUJFWSA-N 1 0 351.378 2.057 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000374204776 557843020 /nfs/dbraw/zinc/84/30/20/557843020.db2.gz LPRLVTWUZNGWTJ-UHFFFAOYSA-N 1 0 363.462 2.413 20 5 FEBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374258868 557853449 /nfs/dbraw/zinc/85/34/49/557853449.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 1 0 362.474 2.074 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000374359703 557871268 /nfs/dbraw/zinc/87/12/68/557871268.db2.gz ONBPRQBWUJEICE-CQSZACIVSA-N 1 0 363.414 2.290 20 5 FEBDRO O=C1[C@@H](N2CCC([C@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604963 557905602 /nfs/dbraw/zinc/90/56/02/557905602.db2.gz OOHFLYHSJQFVEA-YJBOKZPZSA-N 1 0 359.426 2.449 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374635071 557909874 /nfs/dbraw/zinc/90/98/74/557909874.db2.gz GBUIHBGYESOIQV-ZDUSSCGKSA-N 1 0 361.402 2.432 20 5 FEBDRO COc1cccc([C@H]2[C@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)CCN2C2CC2)c1 ZINC000374783117 557930694 /nfs/dbraw/zinc/93/06/94/557930694.db2.gz YTCILXHQNMLEPX-MJGOQNOKSA-N 1 0 371.441 2.368 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000375047468 557969229 /nfs/dbraw/zinc/96/92/29/557969229.db2.gz DIXWBSLIXUWMIN-HOCLYGCPSA-N 1 0 370.409 2.061 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000375062042 557972098 /nfs/dbraw/zinc/97/20/98/557972098.db2.gz RVZFWQPKNNNBOI-HNAYVOBHSA-N 1 0 372.469 2.364 20 5 FEBDRO C[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375241995 557997182 /nfs/dbraw/zinc/99/71/82/557997182.db2.gz MKTHLWKTPRTLCV-GJZGRUSLSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@H]1[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC12CCOCC2 ZINC000375245604 557997760 /nfs/dbraw/zinc/99/77/60/557997760.db2.gz NUIGEWPESJCSKR-CQSZACIVSA-N 1 0 359.426 2.375 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccccc2F)c1 ZINC000521360178 562174774 /nfs/dbraw/zinc/17/47/74/562174774.db2.gz BZMMCZYMXXKFOU-AWEZNQCLSA-N 1 0 350.346 2.142 20 5 FEBDRO Cc1nc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375761359 558078820 /nfs/dbraw/zinc/07/88/20/558078820.db2.gz GCBKEUNCLMTZHX-ZDUSSCGKSA-N 1 0 359.386 2.494 20 5 FEBDRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375968708 558107127 /nfs/dbraw/zinc/10/71/27/558107127.db2.gz NNLIWZLPTPDGJK-CQSZACIVSA-N 1 0 357.414 2.399 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569791 558191962 /nfs/dbraw/zinc/19/19/62/558191962.db2.gz PXSXQGCPZYQMOT-KBXCAEBGSA-N 1 0 369.425 2.479 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000376692840 558209639 /nfs/dbraw/zinc/20/96/39/558209639.db2.gz BZIKSVHUNXNMOA-KRWDZBQOSA-N 1 0 351.472 2.423 20 5 FEBDRO CN1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376827317 558226470 /nfs/dbraw/zinc/22/64/70/558226470.db2.gz HUPCXXBULSDLAX-RHSMWYFYSA-N 1 0 358.373 2.491 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000376983040 558248021 /nfs/dbraw/zinc/24/80/21/558248021.db2.gz PSYKWQVOCRXDDK-DLBZAZTESA-N 1 0 355.394 2.431 20 5 FEBDRO CN1CCC[C@]2(CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1=O ZINC000377001284 558250218 /nfs/dbraw/zinc/25/02/18/558250218.db2.gz ZHUQUJGIXZQFIY-GOSISDBHSA-N 1 0 371.397 2.089 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377221236 558292123 /nfs/dbraw/zinc/29/21/23/558292123.db2.gz CRBZUNGPDLVUBO-INIZCTEOSA-N 1 0 363.462 2.403 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCn2c(CC(F)(F)F)nnc2C1 ZINC000377283097 558305799 /nfs/dbraw/zinc/30/57/99/558305799.db2.gz MHHCIPJJSZPXCC-UHFFFAOYSA-N 1 0 371.319 2.316 20 5 FEBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377586037 558371364 /nfs/dbraw/zinc/37/13/64/558371364.db2.gz LUPVRLQFMHZWEK-GOSISDBHSA-N 1 0 365.430 2.417 20 5 FEBDRO CN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377645958 558385324 /nfs/dbraw/zinc/38/53/24/558385324.db2.gz GVSMJYIXTSDERD-SJLPKXTDSA-N 1 0 372.400 2.368 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522650438 562201062 /nfs/dbraw/zinc/20/10/62/562201062.db2.gz MUVPRTBEWWKNNK-LBPRGKRZSA-N 1 0 353.806 2.370 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000522814806 562204311 /nfs/dbraw/zinc/20/43/11/562204311.db2.gz VCCQIPURQYFWPL-UHFFFAOYSA-N 1 0 357.414 2.097 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H]2CN(C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000378267818 558515537 /nfs/dbraw/zinc/51/55/37/558515537.db2.gz CDEZGLRGMDXDCQ-INIZCTEOSA-N 1 0 357.414 2.101 20 5 FEBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000378472084 558565182 /nfs/dbraw/zinc/56/51/82/558565182.db2.gz HOMGSCFASDIHOB-YEWWUXTCSA-N 1 0 360.414 2.356 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000378584527 558588710 /nfs/dbraw/zinc/58/87/10/558588710.db2.gz TWMCVZXSONLCIH-VKJFTORMSA-N 1 0 367.409 2.178 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000405348027 558632325 /nfs/dbraw/zinc/63/23/25/558632325.db2.gz MBSULRSXAVRNQS-MFKMUULPSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000408342947 558669009 /nfs/dbraw/zinc/66/90/09/558669009.db2.gz MFXMEHRSLMZZBV-CABCVRRESA-N 1 0 353.444 2.117 20 5 FEBDRO COc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000525054764 562239870 /nfs/dbraw/zinc/23/98/70/562239870.db2.gz GZRYVQWGVWOAAP-ZDUSSCGKSA-N 1 0 351.403 2.168 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411535206 558912465 /nfs/dbraw/zinc/91/24/65/558912465.db2.gz QTXUMXIQWRZSFO-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637393 558933572 /nfs/dbraw/zinc/93/35/72/558933572.db2.gz CULUNNIANNYRLF-ZIAGYGMSSA-N 1 0 365.430 2.415 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411907962 558985988 /nfs/dbraw/zinc/98/59/88/558985988.db2.gz CNQGTINLFIMATI-ZHALLVOQSA-N 1 0 358.394 2.142 20 5 FEBDRO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411967505 558996950 /nfs/dbraw/zinc/99/69/50/558996950.db2.gz DEORPZXMZDOXBN-CVEARBPZSA-N 1 0 355.394 2.304 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000412232159 559021571 /nfs/dbraw/zinc/02/15/71/559021571.db2.gz NLVVHPIUEWELSQ-NEPJUHHUSA-N 1 0 353.394 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1F ZINC000413168192 559084843 /nfs/dbraw/zinc/08/48/43/559084843.db2.gz MKRSYNWIPPDPNT-TZMCWYRMSA-N 1 0 351.378 2.028 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000526974074 562271500 /nfs/dbraw/zinc/27/15/00/562271500.db2.gz YNKALQPVFFLXIN-UHFFFAOYSA-N 1 0 362.430 2.290 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000413367669 559102583 /nfs/dbraw/zinc/10/25/83/559102583.db2.gz UBHFDQLKBVPSLX-UHFFFAOYSA-N 1 0 372.491 2.377 20 5 FEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527020304 562273638 /nfs/dbraw/zinc/27/36/38/562273638.db2.gz AHTXQKAJGWMVPI-UHFFFAOYSA-N 1 0 361.398 2.113 20 5 FEBDRO CCOc1cc(NC(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414752769 559184938 /nfs/dbraw/zinc/18/49/38/559184938.db2.gz CRCQDDVIWUOGDS-LLVKDONJSA-N 1 0 352.391 2.347 20 5 FEBDRO CCOc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC ZINC000414761296 559185868 /nfs/dbraw/zinc/18/58/68/559185868.db2.gz SOOMYIFJYZXLCI-TXEJJXNPSA-N 1 0 364.402 2.075 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC ZINC000414760769 559185914 /nfs/dbraw/zinc/18/59/14/559185914.db2.gz RIACWBOYRWPKEY-NSHDSACASA-N 1 0 352.391 2.266 20 5 FEBDRO COc1ccc(-c2ccc(CNC[C@@H]3C[NH2+]CCCO3)o2)c([N+](=O)[O-])c1 ZINC000415037452 559201971 /nfs/dbraw/zinc/20/19/71/559201971.db2.gz LFDPTLRBOZMXHE-HNNXBMFYSA-N 1 0 361.398 2.332 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415582375 559252279 /nfs/dbraw/zinc/25/22/79/559252279.db2.gz OUGMQVUECLTRDD-CQSZACIVSA-N 1 0 362.430 2.431 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415591932 559253475 /nfs/dbraw/zinc/25/34/75/559253475.db2.gz BIXGEIUVMXZYDB-LBPRGKRZSA-N 1 0 352.391 2.185 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415594408 559253685 /nfs/dbraw/zinc/25/36/85/559253685.db2.gz GHPDAVBOMHMKOD-INIZCTEOSA-N 1 0 352.391 2.185 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595710 559253936 /nfs/dbraw/zinc/25/39/36/559253936.db2.gz HQCSKPJWGYBYGM-FZMZJTMJSA-N 1 0 364.402 2.423 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C)c([N+](=O)[O-])c1 ZINC000415604289 559254578 /nfs/dbraw/zinc/25/45/78/559254578.db2.gz VOZXMGIUOUJEBP-BETUJISGSA-N 1 0 362.386 2.048 20 5 FEBDRO COc1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000527235707 562281482 /nfs/dbraw/zinc/28/14/82/562281482.db2.gz BKBYQFSTXSNCJN-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415732272 559265817 /nfs/dbraw/zinc/26/58/17/559265817.db2.gz GMNLHFWEGUCQHN-HDJSIYSDSA-N 1 0 362.430 2.031 20 5 FEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000415964423 559285469 /nfs/dbraw/zinc/28/54/69/559285469.db2.gz SOXJWYYPKMDUQD-ZDUSSCGKSA-N 1 0 370.413 2.039 20 5 FEBDRO C[C@@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000417128560 559349121 /nfs/dbraw/zinc/34/91/21/559349121.db2.gz INTOXELNILSALB-UKRRQHHQSA-N 1 0 362.430 2.053 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000417719572 559373801 /nfs/dbraw/zinc/37/38/01/559373801.db2.gz QLDBYQSJBIIRIX-UHFFFAOYSA-N 1 0 351.451 2.332 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418082474 559389629 /nfs/dbraw/zinc/38/96/29/559389629.db2.gz JFNTWZVPEKULFN-CHWSQXEVSA-N 1 0 372.429 2.002 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098181 559389971 /nfs/dbraw/zinc/38/99/71/559389971.db2.gz ZJJLHPYEINAYGF-RNCFNFMXSA-N 1 0 360.336 2.411 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418325539 559397611 /nfs/dbraw/zinc/39/76/11/559397611.db2.gz WXVFZPOONIUSGT-AWEZNQCLSA-N 1 0 362.430 2.147 20 5 FEBDRO C[C@@H](NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC000419146147 559430003 /nfs/dbraw/zinc/43/00/03/559430003.db2.gz HWIUYSKCTAKPGO-QWHCGFSZSA-N 1 0 370.409 2.108 20 5 FEBDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419398629 559440711 /nfs/dbraw/zinc/44/07/11/559440711.db2.gz IENVSYOLERUODT-INIZCTEOSA-N 1 0 370.409 2.441 20 5 FEBDRO O=c1c(Cl)c(NCC[C@H]2CCC[NH2+]2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000420236540 559477351 /nfs/dbraw/zinc/47/73/51/559477351.db2.gz KMGWXKIPDMDLNI-LLVKDONJSA-N 1 0 363.805 2.348 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420386186 559484548 /nfs/dbraw/zinc/48/45/48/559484548.db2.gz VEEAOYNESSVZIJ-GOSISDBHSA-N 1 0 362.430 2.008 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420404137 559485998 /nfs/dbraw/zinc/48/59/98/559485998.db2.gz OBEKTAKAJCISFK-PZPSRYQVSA-N 1 0 372.400 2.488 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449897 559487928 /nfs/dbraw/zinc/48/79/28/559487928.db2.gz GOQNSSTUJMJHLW-SCZZXKLOSA-N 1 0 367.349 2.019 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420467140 559489110 /nfs/dbraw/zinc/48/91/10/559489110.db2.gz NBPYTRHLURZTMD-MNOVXSKESA-N 1 0 361.851 2.352 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000420476010 559489713 /nfs/dbraw/zinc/48/97/13/559489713.db2.gz OOGUSPXDNHSNTB-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921517 559511448 /nfs/dbraw/zinc/51/14/48/559511448.db2.gz DBHYXHPOKDZEEY-ZWKOTPCHSA-N 1 0 362.405 2.389 20 5 FEBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000421028659 559520804 /nfs/dbraw/zinc/52/08/04/559520804.db2.gz HSCRDBWPEQBLNN-NSHDSACASA-N 1 0 371.821 2.360 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421707688 559550238 /nfs/dbraw/zinc/55/02/38/559550238.db2.gz YDBNJNMPBMIZJG-OAHLLOKOSA-N 1 0 357.414 2.162 20 5 FEBDRO COCC1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423409537 559628093 /nfs/dbraw/zinc/62/80/93/559628093.db2.gz QIEUGQZTUCOFDU-KRWDZBQOSA-N 1 0 373.457 2.024 20 5 FEBDRO O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423588762 559633125 /nfs/dbraw/zinc/63/31/25/559633125.db2.gz BGUYRSVPEWBILX-TXEJJXNPSA-N 1 0 351.381 2.112 20 5 FEBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000423963134 559648147 /nfs/dbraw/zinc/64/81/47/559648147.db2.gz FFQOAOXSBBKDPW-JSGCOSHPSA-N 1 0 363.414 2.216 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000423993551 559649550 /nfs/dbraw/zinc/64/95/50/559649550.db2.gz AWRWFDPMXMSLJQ-MJGOQNOKSA-N 1 0 361.442 2.272 20 5 FEBDRO O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000424003872 559650401 /nfs/dbraw/zinc/65/04/01/559650401.db2.gz QFEXVILBFCGLCI-UHFFFAOYSA-N 1 0 370.409 2.131 20 5 FEBDRO [NH3+]C1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000424041652 559652286 /nfs/dbraw/zinc/65/22/86/559652286.db2.gz JJCUWGRENVOUIY-UHFFFAOYSA-N 1 0 359.426 2.243 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C[NH3+] ZINC000424070767 559653778 /nfs/dbraw/zinc/65/37/78/559653778.db2.gz JWCDXZFCPYZKND-MGPQQGTHSA-N 1 0 357.414 2.226 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000424443111 559665100 /nfs/dbraw/zinc/66/51/00/559665100.db2.gz BGALYVWXKJVIOU-CYBMUJFWSA-N 1 0 370.409 2.486 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425352484 559698021 /nfs/dbraw/zinc/69/80/21/559698021.db2.gz HRTHJAAEPVUJTI-CYBMUJFWSA-N 1 0 353.386 2.103 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425544138 559708783 /nfs/dbraw/zinc/70/87/83/559708783.db2.gz DELLVQAOULNCLY-NVXWUHKLSA-N 1 0 363.801 2.218 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000427455602 559755912 /nfs/dbraw/zinc/75/59/12/559755912.db2.gz CVOSZOJTDLCNSB-UHFFFAOYSA-N 1 0 358.398 2.202 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000429195666 559792876 /nfs/dbraw/zinc/79/28/76/559792876.db2.gz XHBCAPQDIZXPRQ-RNCFNFMXSA-N 1 0 356.220 2.096 20 5 FEBDRO O=C(C[C@H]1CCC[NH2+]1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429792415 559805929 /nfs/dbraw/zinc/80/59/29/559805929.db2.gz KOMSBZCPVMIIJO-LLVKDONJSA-N 1 0 360.336 2.284 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000429925788 559808894 /nfs/dbraw/zinc/80/88/94/559808894.db2.gz NSLKYAPMKVMOFP-GJZGRUSLSA-N 1 0 363.458 2.488 20 5 FEBDRO Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])n(C2CC[NH+](C)CC2)n1 ZINC000430453752 559820444 /nfs/dbraw/zinc/82/04/44/559820444.db2.gz ISGWODIILVKEQK-UHFFFAOYSA-N 1 0 373.413 2.384 20 5 FEBDRO [NH3+]CCC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430699836 559826766 /nfs/dbraw/zinc/82/67/66/559826766.db2.gz ZQKMLOPIKRRZMI-UHFFFAOYSA-N 1 0 374.466 2.316 20 5 FEBDRO C[C@H]1C[N@H+](CCCNc2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000432862363 559866681 /nfs/dbraw/zinc/86/66/81/559866681.db2.gz DSJPMLJFNSUOPM-NSHDSACASA-N 1 0 373.251 2.087 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCO[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206096 559873655 /nfs/dbraw/zinc/87/36/55/559873655.db2.gz GMVWKRGOLYEFEH-KPZWWZAWSA-N 1 0 362.382 2.493 20 5 FEBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434761401 559908607 /nfs/dbraw/zinc/90/86/07/559908607.db2.gz YDCIWMLTYZVZFV-SWLSCSKDSA-N 1 0 355.460 2.287 20 5 FEBDRO COC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000434791787 559909471 /nfs/dbraw/zinc/90/94/71/559909471.db2.gz BINYNLWPNAJTHJ-HOTGVXAUSA-N 1 0 351.403 2.015 20 5 FEBDRO CC(C)CCO[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000434993136 559913851 /nfs/dbraw/zinc/91/38/51/559913851.db2.gz YUKVHMFREUHJDX-SJLPKXTDSA-N 1 0 352.431 2.472 20 5 FEBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435390667 559921979 /nfs/dbraw/zinc/92/19/79/559921979.db2.gz SWSPKZFHPIKOEH-UHFFFAOYSA-N 1 0 374.466 2.187 20 5 FEBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436057120 559934489 /nfs/dbraw/zinc/93/44/89/559934489.db2.gz UXROEKTWIOPRNR-AWEZNQCLSA-N 1 0 354.838 2.068 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000438282043 559976584 /nfs/dbraw/zinc/97/65/84/559976584.db2.gz KHCDFGGJDDXPPD-NXOUGTEYSA-N 1 0 372.425 2.400 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000439910504 560001822 /nfs/dbraw/zinc/00/18/22/560001822.db2.gz HMJIFRVRRXVXCX-CQSZACIVSA-N 1 0 366.418 2.226 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C(=O)NCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000441365153 560029975 /nfs/dbraw/zinc/02/99/75/560029975.db2.gz PATGSUBOFUURIF-DIFFPNOSSA-N 1 0 359.382 2.478 20 5 FEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443799095 560093200 /nfs/dbraw/zinc/09/32/00/560093200.db2.gz HPSSMUMWBLZXOZ-HNNXBMFYSA-N 1 0 372.425 2.403 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444636300 560117348 /nfs/dbraw/zinc/11/73/48/560117348.db2.gz NPKAMUOYIAQAIR-UHFFFAOYSA-N 1 0 353.382 2.463 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000447507681 560163551 /nfs/dbraw/zinc/16/35/51/560163551.db2.gz IMJFEZRWUMZTBL-ZJUUUORDSA-N 1 0 361.320 2.406 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562571 560164614 /nfs/dbraw/zinc/16/46/14/560164614.db2.gz MIGMFZANJPNZBV-CRAIPNDOSA-N 1 0 360.458 2.149 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576097 560164729 /nfs/dbraw/zinc/16/47/29/560164729.db2.gz WKKRXOOESYDTNY-IAGOWNOFSA-N 1 0 371.441 2.224 20 5 FEBDRO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000448884086 560204734 /nfs/dbraw/zinc/20/47/34/560204734.db2.gz IDGRSTRNLJAGTJ-UHFFFAOYSA-N 1 0 351.378 2.443 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000449316331 560225113 /nfs/dbraw/zinc/22/51/13/560225113.db2.gz MOJQIONYPKQOIS-ZBQZNYHESA-N 1 0 371.441 2.211 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449871611 560243432 /nfs/dbraw/zinc/24/34/32/560243432.db2.gz TWXCEGVZJNOTTP-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054528 560249383 /nfs/dbraw/zinc/24/93/83/560249383.db2.gz YAADDCSUPLKDJA-JKSUJKDBSA-N 1 0 369.425 2.479 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000450573869 560266573 /nfs/dbraw/zinc/26/65/73/560266573.db2.gz YHBLSHHACAWWMD-NSHDSACASA-N 1 0 370.335 2.435 20 5 FEBDRO CC/C=C\CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000450699958 560270377 /nfs/dbraw/zinc/27/03/77/560270377.db2.gz YWSABJUPFBURQG-WAYWQWQTSA-N 1 0 370.475 2.203 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451469170 560309020 /nfs/dbraw/zinc/30/90/20/560309020.db2.gz CWRPOGZFFGAQMC-USXIJHARSA-N 1 0 350.415 2.272 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451558328 560314551 /nfs/dbraw/zinc/31/45/51/560314551.db2.gz GAGQYCWNIRRBLW-IUODEOHRSA-N 1 0 351.403 2.289 20 5 FEBDRO CC1(C)COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451808808 560329910 /nfs/dbraw/zinc/32/99/10/560329910.db2.gz KMHQWZYKNSEHOG-GFCCVEGCSA-N 1 0 372.219 2.310 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000451808192 560329941 /nfs/dbraw/zinc/32/99/41/560329941.db2.gz DZWGCHPEGDRPTE-INIZCTEOSA-N 1 0 350.415 2.370 20 5 FEBDRO O=C(CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882279 560334232 /nfs/dbraw/zinc/33/42/32/560334232.db2.gz CMUPSPDAHFIIGL-HZMBPMFUSA-N 1 0 361.320 2.169 20 5 FEBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000452018031 560345750 /nfs/dbraw/zinc/34/57/50/560345750.db2.gz NZDCFGMNPVQRTR-BFYDXBDKSA-N 1 0 360.414 2.039 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452024503 560346152 /nfs/dbraw/zinc/34/61/52/560346152.db2.gz ZJTMRSJHZTZNNC-CZUORRHYSA-N 1 0 351.403 2.479 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452358053 560359975 /nfs/dbraw/zinc/35/99/75/560359975.db2.gz FSVCDOYLNSZMRH-SJLPKXTDSA-N 1 0 363.458 2.127 20 5 FEBDRO CC(C)[N@@H+]1CCc2nc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021779 560381364 /nfs/dbraw/zinc/38/13/64/560381364.db2.gz GDHJPMHVDZJSCB-ONEGZZNKSA-N 1 0 363.399 2.189 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453141986 560383709 /nfs/dbraw/zinc/38/37/09/560383709.db2.gz KEKPRXUHMUYTSC-KRWDZBQOSA-N 1 0 367.471 2.432 20 5 FEBDRO CC(=O)Nc1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000453576810 560389258 /nfs/dbraw/zinc/38/92/58/560389258.db2.gz NQADHQWVVGFWOT-UHFFFAOYSA-N 1 0 355.398 2.270 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994609 560503885 /nfs/dbraw/zinc/50/38/85/560503885.db2.gz IABQTNGCGCMOTR-CJNGLKHVSA-N 1 0 355.398 2.207 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457044711 560545531 /nfs/dbraw/zinc/54/55/31/560545531.db2.gz YBKDJLHNBHVFFP-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000457212830 560556224 /nfs/dbraw/zinc/55/62/24/560556224.db2.gz YBWSDMWLTCPNGR-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000459669718 560701327 /nfs/dbraw/zinc/70/13/27/560701327.db2.gz DCLLOOMTDALTIF-UHFFFAOYSA-N 1 0 352.387 2.194 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128867 560735881 /nfs/dbraw/zinc/73/58/81/560735881.db2.gz GYZZNHJZAQJAAF-HUUCEWRRSA-N 1 0 360.414 2.126 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000460894907 560754792 /nfs/dbraw/zinc/75/47/92/560754792.db2.gz MOHOVJWNBYXWPI-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471524 560773333 /nfs/dbraw/zinc/77/33/33/560773333.db2.gz QCXDKOIDHDUABF-MRXNPFEDSA-N 1 0 371.441 2.360 20 5 FEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463454189 560815586 /nfs/dbraw/zinc/81/55/86/560815586.db2.gz MLKMXMWAORDILH-UPJWGTAASA-N 1 0 350.341 2.205 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464850812 560853260 /nfs/dbraw/zinc/85/32/60/560853260.db2.gz LCBDPYXQNPUGNS-ZFWWWQNUSA-N 1 0 361.398 2.394 20 5 FEBDRO COCC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000466477181 560887695 /nfs/dbraw/zinc/88/76/95/560887695.db2.gz HUOKCEAYTAKCCZ-GFCCVEGCSA-N 1 0 350.371 2.350 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020994 560901733 /nfs/dbraw/zinc/90/17/33/560901733.db2.gz DAIHEBCVCZFTDS-BXUZGUMPSA-N 1 0 363.414 2.215 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724298 560916027 /nfs/dbraw/zinc/91/60/27/560916027.db2.gz RWHCHRDSYYAAOE-WMLDXEAASA-N 1 0 372.469 2.410 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000468472659 560930807 /nfs/dbraw/zinc/93/08/07/560930807.db2.gz MHYVGJCBUINUMR-INIZCTEOSA-N 1 0 365.430 2.219 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134260 560975014 /nfs/dbraw/zinc/97/50/14/560975014.db2.gz CQFYZYNESLXKJY-OAHLLOKOSA-N 1 0 354.382 2.308 20 5 FEBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000470372974 560980031 /nfs/dbraw/zinc/98/00/31/560980031.db2.gz LGWAZGRLHIFREP-UHFFFAOYSA-N 1 0 352.394 2.160 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000470497075 560983468 /nfs/dbraw/zinc/98/34/68/560983468.db2.gz NTSYPYJTEKZFCU-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000471159328 560999459 /nfs/dbraw/zinc/99/94/59/560999459.db2.gz FHKFQXMNGZPYBK-MRXNPFEDSA-N 1 0 373.409 2.273 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000471205741 561000364 /nfs/dbraw/zinc/00/03/64/561000364.db2.gz WKKAVTWCCPHINK-MRXNPFEDSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cnn(C)c1 ZINC000471495704 561005821 /nfs/dbraw/zinc/00/58/21/561005821.db2.gz IKDXQGNELJCJKT-SUMWQHHRSA-N 1 0 374.445 2.202 20 5 FEBDRO COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000472237465 561021640 /nfs/dbraw/zinc/02/16/40/561021640.db2.gz DHEVUEKCSLHQTF-GDBMZVCRSA-N 1 0 350.419 2.235 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362375 561025055 /nfs/dbraw/zinc/02/50/55/561025055.db2.gz VYROELZFXYLMKX-QGZVFWFLSA-N 1 0 362.474 2.205 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000472559555 561029282 /nfs/dbraw/zinc/02/92/82/561029282.db2.gz KSSBIZMHFVXRBQ-UHFFFAOYSA-N 1 0 374.372 2.050 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000472631375 561031436 /nfs/dbraw/zinc/03/14/36/561031436.db2.gz MRFJPHRBAOYICI-VKGGURKZSA-N 1 0 353.444 2.058 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000473940404 561061291 /nfs/dbraw/zinc/06/12/91/561061291.db2.gz NLIQXZVMKLEUTH-UHFFFAOYSA-N 1 0 361.489 2.461 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000473937927 561061404 /nfs/dbraw/zinc/06/14/04/561061404.db2.gz BHUUZCOIUYMDLT-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000473949132 561061669 /nfs/dbraw/zinc/06/16/69/561061669.db2.gz ZBXUACVCJVAVLR-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473999624 561063134 /nfs/dbraw/zinc/06/31/34/561063134.db2.gz GACKVHQWLITACM-TZMCWYRMSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350079 561071854 /nfs/dbraw/zinc/07/18/54/561071854.db2.gz AUHGNOWEISPFSO-MAUKXSAKSA-N 1 0 366.414 2.440 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131305 561091257 /nfs/dbraw/zinc/09/12/57/561091257.db2.gz QGYLOOYPRROVNU-MLGOLLRUSA-N 1 0 352.387 2.003 20 5 FEBDRO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCN(c2ccccn2)CC1 ZINC000475362760 561095773 /nfs/dbraw/zinc/09/57/73/561095773.db2.gz NXGGGQTWQRHDJF-UHFFFAOYSA-N 1 0 358.446 2.462 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000476649589 561125208 /nfs/dbraw/zinc/12/52/08/561125208.db2.gz UPETZLWWNWDBBG-UHFFFAOYSA-N 1 0 373.413 2.445 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477018287 561134333 /nfs/dbraw/zinc/13/43/33/561134333.db2.gz QMSAUEKJCHAJKE-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000477027157 561134518 /nfs/dbraw/zinc/13/45/18/561134518.db2.gz SYQZMSHGQYHCIS-CQSZACIVSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000477026995 561134535 /nfs/dbraw/zinc/13/45/35/561134535.db2.gz SYQZMSHGQYHCIS-AWEZNQCLSA-N 1 0 357.414 2.065 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1 ZINC000530596106 562417189 /nfs/dbraw/zinc/41/71/89/562417189.db2.gz UIOWGJHDQBTECU-OAHLLOKOSA-N 1 0 364.446 2.209 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530990535 562430994 /nfs/dbraw/zinc/43/09/94/562430994.db2.gz SJCCBNLWJDHLIG-ZBFHGGJFSA-N 1 0 362.430 2.242 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000531137275 562435856 /nfs/dbraw/zinc/43/58/56/562435856.db2.gz QNWUHQSJSJGEJI-GDBMZVCRSA-N 1 0 364.446 2.488 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000532563336 562481527 /nfs/dbraw/zinc/48/15/27/562481527.db2.gz OPBZJWXGABVLFQ-WFASDCNBSA-N 1 0 373.409 2.412 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000532875136 562491460 /nfs/dbraw/zinc/49/14/60/562491460.db2.gz CEKDYCWCZSCJFG-CQSZACIVSA-N 1 0 370.409 2.219 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000534827496 562543248 /nfs/dbraw/zinc/54/32/48/562543248.db2.gz LECVICBTNOKICC-HOTGVXAUSA-N 1 0 364.471 2.287 20 5 FEBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000536834922 562581318 /nfs/dbraw/zinc/58/13/18/562581318.db2.gz SQUFVXBQKNCISB-OAHLLOKOSA-N 1 0 369.487 2.223 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000536854539 562581430 /nfs/dbraw/zinc/58/14/30/562581430.db2.gz YLUVQEYFTZSOMQ-QIIPPGSGSA-N 1 0 363.414 2.240 20 5 FEBDRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162336 562586759 /nfs/dbraw/zinc/58/67/59/562586759.db2.gz VDROBVQRGMRBBA-QRWLVFNGSA-N 1 0 369.421 2.409 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000541051268 562601379 /nfs/dbraw/zinc/60/13/79/562601379.db2.gz HFQDFHFNIQYLPF-INIZCTEOSA-N 1 0 359.382 2.174 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000541282490 562607968 /nfs/dbraw/zinc/60/79/68/562607968.db2.gz QODJWMUUZOVWOY-BZUAXINKSA-N 1 0 350.415 2.083 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@@H]2C1 ZINC000568558056 568051466 /nfs/dbraw/zinc/05/14/66/568051466.db2.gz MXMOTJQMGBUOOG-NWANDNLSSA-N 1 0 358.398 2.473 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000603706471 568140896 /nfs/dbraw/zinc/14/08/96/568140896.db2.gz KSTBVQGLXZRTIV-CHWSQXEVSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000569227198 568315880 /nfs/dbraw/zinc/31/58/80/568315880.db2.gz YQUVAZDSKAOULG-GOSISDBHSA-N 1 0 354.410 2.488 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395284 568400533 /nfs/dbraw/zinc/40/05/33/568400533.db2.gz OKMDDMRGNYRCCM-JCKWVBRZSA-N 1 0 361.442 2.471 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000570823300 568542150 /nfs/dbraw/zinc/54/21/50/568542150.db2.gz JWQYQRZOYGISCZ-QGZVFWFLSA-N 1 0 363.458 2.285 20 5 FEBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000557850833 674470741 /nfs/dbraw/zinc/47/07/41/674470741.db2.gz ZYTOIRKYZORBLP-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO CC(C)(C)OC(=O)N(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000809627348 674501860 /nfs/dbraw/zinc/50/18/60/674501860.db2.gz RPIKIRDHOMIAFP-UHFFFAOYSA-N 1 0 355.439 2.417 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000559129729 674528824 /nfs/dbraw/zinc/52/88/24/674528824.db2.gz CONMLPFGGSXLBX-MRXNPFEDSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569369 608487006 /nfs/dbraw/zinc/48/70/06/608487006.db2.gz HJCFDIXCFQSYFW-ZBEGNZNMSA-N 1 0 354.370 2.159 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283498 608553952 /nfs/dbraw/zinc/55/39/52/608553952.db2.gz SJGMMOBDJOMSPU-SJCJKPOMSA-N 1 0 368.397 2.468 20 5 FEBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670183 609315306 /nfs/dbraw/zinc/31/53/06/609315306.db2.gz LQCQWRTZPWNXOX-RYUDHWBXSA-N 1 0 372.433 2.235 20 5 FEBDRO CC[C@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562071575 674720305 /nfs/dbraw/zinc/72/03/05/674720305.db2.gz GMQCRPXUDSGXED-LLVKDONJSA-N 1 0 364.183 2.450 20 5 FEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814987539 674893254 /nfs/dbraw/zinc/89/32/54/674893254.db2.gz SBTNPTAVMJFQSS-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048608519 675012085 /nfs/dbraw/zinc/01/20/85/675012085.db2.gz VYSYGYZNIVBPRU-RRCSTGOVSA-N 1 0 351.472 2.426 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000070894722 670493031 /nfs/dbraw/zinc/49/30/31/670493031.db2.gz CXPXMJKSGYLBMH-ZDUSSCGKSA-N 1 0 355.822 2.335 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101570290 670768582 /nfs/dbraw/zinc/76/85/82/670768582.db2.gz ONDHSSILWKSZAD-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923905 670788022 /nfs/dbraw/zinc/78/80/22/670788022.db2.gz XYJPRBFNGMIRNS-ZBFHGGJFSA-N 1 0 367.471 2.262 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571641970 670905140 /nfs/dbraw/zinc/90/51/40/670905140.db2.gz XBUXXHXWLPLGQT-LSDHHAIUSA-N 1 0 367.471 2.167 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572028887 670953116 /nfs/dbraw/zinc/95/31/16/670953116.db2.gz JVULGYXVYGCJAR-YOEHRIQHSA-N 1 0 370.471 2.409 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000572227029 670975698 /nfs/dbraw/zinc/97/56/98/670975698.db2.gz CWXZNUZIVZOZBH-GFCCVEGCSA-N 1 0 362.283 2.100 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CC[NH3+])cc1OC ZINC000572355859 670992048 /nfs/dbraw/zinc/99/20/48/670992048.db2.gz FLQBRQAIKYYLDJ-LBPRGKRZSA-N 1 0 351.403 2.346 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000572815824 671047400 /nfs/dbraw/zinc/04/74/00/671047400.db2.gz MWVCFPOFVCTPPO-ZDUSSCGKSA-N 1 0 367.471 2.398 20 5 FEBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000566009832 675167675 /nfs/dbraw/zinc/16/76/75/675167675.db2.gz NKZYHJVCAHZCHO-GHMZBOCLSA-N 1 0 350.419 2.073 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020281 675168264 /nfs/dbraw/zinc/16/82/64/675168264.db2.gz KWEUHUSUXAIZOQ-RBSFLKMASA-N 1 0 353.444 2.032 20 5 FEBDRO CO[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000566099142 675180465 /nfs/dbraw/zinc/18/04/65/675180465.db2.gz OECDHOYNSCUQKM-WDEREUQCSA-N 1 0 361.320 2.192 20 5 FEBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108204 675181336 /nfs/dbraw/zinc/18/13/36/675181336.db2.gz DMJYTVOHVHHFOC-HLLBOEOZSA-N 1 0 351.447 2.045 20 5 FEBDRO COc1cc(F)cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000566111679 675182020 /nfs/dbraw/zinc/18/20/20/675182020.db2.gz LDRAVGYHURJPBQ-OAHLLOKOSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000574323226 671226885 /nfs/dbraw/zinc/22/68/85/671226885.db2.gz ZJQLWKKQLDNEIU-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000817994664 675189113 /nfs/dbraw/zinc/18/91/13/675189113.db2.gz GPBUSCNDYGXXFE-JTQLQIEISA-N 1 0 357.691 2.326 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000575097278 671298125 /nfs/dbraw/zinc/29/81/25/671298125.db2.gz CKUSQCCFINYMQA-UWVGGRQHSA-N 1 0 354.204 2.039 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818003048 675189727 /nfs/dbraw/zinc/18/97/27/675189727.db2.gz NSERLSWJTCKMEK-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000576515088 671374157 /nfs/dbraw/zinc/37/41/57/671374157.db2.gz LAKDZDAEUUKZJZ-KRWDZBQOSA-N 1 0 365.455 2.440 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000576818820 671396855 /nfs/dbraw/zinc/39/68/55/671396855.db2.gz BCWCGMMCSIUQKT-UHFFFAOYSA-N 1 0 355.460 2.262 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000608862299 675905893 /nfs/dbraw/zinc/90/58/93/675905893.db2.gz BIEBWSCLSPTTGI-NSHDSACASA-N 1 0 350.371 2.235 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609132313 675910996 /nfs/dbraw/zinc/91/09/96/675910996.db2.gz CWESGYGBKIMITK-HIFRSBDPSA-N 1 0 370.247 2.393 20 5 FEBDRO COc1ccc(CC(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000577668712 671612460 /nfs/dbraw/zinc/61/24/60/671612460.db2.gz SHISLFAULJCBGI-UHFFFAOYSA-N 1 0 367.471 2.090 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609387901 675921037 /nfs/dbraw/zinc/92/10/37/675921037.db2.gz NCKUESCOJYMGJQ-LBPRGKRZSA-N 1 0 359.835 2.011 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC000578236987 671651010 /nfs/dbraw/zinc/65/10/10/671651010.db2.gz UJVABHNTCJYSRU-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000579408113 671733243 /nfs/dbraw/zinc/73/32/43/671733243.db2.gz VQTQCFZKAHPXTL-GXDHUFHOSA-N 1 0 367.471 2.259 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(SC)CC[NH+](C)CC2)n1 ZINC000579658380 671751073 /nfs/dbraw/zinc/75/10/73/671751073.db2.gz NHCGDMJDVRRLSS-UHFFFAOYSA-N 1 0 354.432 2.016 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cc(Cl)cc(Cl)c2)c1 ZINC000580710254 671826443 /nfs/dbraw/zinc/82/64/43/671826443.db2.gz XNXABFVMUZSYSR-AWEZNQCLSA-N 1 0 359.213 2.291 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119590891 671903085 /nfs/dbraw/zinc/90/30/85/671903085.db2.gz XPRUTKQNVHXVBA-TXEJJXNPSA-N 1 0 361.489 2.303 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000120065864 671915799 /nfs/dbraw/zinc/91/57/99/671915799.db2.gz RAHIECVLMXVRBV-BXUZGUMPSA-N 1 0 371.484 2.294 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250245 675961069 /nfs/dbraw/zinc/96/10/69/675961069.db2.gz HTHFVVODIDUDEB-OAHLLOKOSA-N 1 0 350.438 2.334 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000582845666 672039430 /nfs/dbraw/zinc/03/94/30/672039430.db2.gz GPSJXANNMPHORU-RAIGVLPGSA-N 1 0 352.822 2.246 20 5 FEBDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129126825 672057683 /nfs/dbraw/zinc/05/76/83/672057683.db2.gz QPKOCZKHFLGVPA-INIZCTEOSA-N 1 0 355.366 2.384 20 5 FEBDRO CCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000583381822 672089681 /nfs/dbraw/zinc/08/96/81/672089681.db2.gz GRFJRYSEJDCFSP-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000610518978 675977728 /nfs/dbraw/zinc/97/77/28/675977728.db2.gz IIMPETREHYSKIK-QGZVFWFLSA-N 1 0 350.371 2.350 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132369800 672097245 /nfs/dbraw/zinc/09/72/45/672097245.db2.gz ZFKFEPSOLITMRV-LBPRGKRZSA-N 1 0 350.375 2.334 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000133493614 672111480 /nfs/dbraw/zinc/11/14/80/672111480.db2.gz GGSJYJKNSJZAPM-GFCCVEGCSA-N 1 0 359.423 2.053 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000138486743 672144302 /nfs/dbraw/zinc/14/43/02/672144302.db2.gz PZKBRDMHLZMCMW-INIZCTEOSA-N 1 0 353.423 2.074 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCn2cccn2)c1 ZINC000584831521 672220467 /nfs/dbraw/zinc/22/04/67/672220467.db2.gz JJPXNBQOBUULMI-UHFFFAOYSA-N 1 0 372.166 2.186 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178925522 672397090 /nfs/dbraw/zinc/39/70/90/672397090.db2.gz HBLLOHDFSKALRK-JTQLQIEISA-N 1 0 361.851 2.305 20 5 FEBDRO COC(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179147380 672399128 /nfs/dbraw/zinc/39/91/28/672399128.db2.gz JPWWTIGBHGNNBY-NSHDSACASA-N 1 0 355.778 2.214 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863077 672486676 /nfs/dbraw/zinc/48/66/76/672486676.db2.gz OWAJLWLANPWZAZ-KGLIPLIRSA-N 1 0 361.423 2.091 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2(CO)CC2)c1 ZINC000589315346 672521533 /nfs/dbraw/zinc/52/15/33/672521533.db2.gz LBWHSWLIGTWKHF-UHFFFAOYSA-N 1 0 362.167 2.062 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939063 672549265 /nfs/dbraw/zinc/54/92/65/672549265.db2.gz NPVKHZYLZVEJLZ-QMTHXVAHSA-N 1 0 362.304 2.302 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565750 672590203 /nfs/dbraw/zinc/59/02/03/672590203.db2.gz QERHDCXAAKDZRW-JKSUJKDBSA-N 1 0 367.833 2.112 20 5 FEBDRO COCC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000590600224 672595835 /nfs/dbraw/zinc/59/58/35/672595835.db2.gz HNHGVTNHRAYYLH-UHFFFAOYSA-N 1 0 351.403 2.017 20 5 FEBDRO COC(=O)[C@@H]1CSCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591057415 672645453 /nfs/dbraw/zinc/64/54/53/672645453.db2.gz LLEHORREUCXMMY-ZDUSSCGKSA-N 1 0 354.428 2.202 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592174429 672767713 /nfs/dbraw/zinc/76/77/13/672767713.db2.gz SKANMUBKVPSLDP-LTZCYQRMSA-N 1 0 353.444 2.420 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000592300711 672783175 /nfs/dbraw/zinc/78/31/75/672783175.db2.gz XTIXGFTXMPNPBK-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)c([N+](=O)[O-])cc1OC ZINC000592331002 672788430 /nfs/dbraw/zinc/78/84/30/672788430.db2.gz GHUVLQDFSQXIDG-AAEUAGOBSA-N 1 0 351.403 2.202 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000592374505 672794107 /nfs/dbraw/zinc/79/41/07/672794107.db2.gz JWECRJVIXNOJAD-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390811 672796785 /nfs/dbraw/zinc/79/67/85/672796785.db2.gz PLIRYJRWDQQEQA-QWHCGFSZSA-N 1 0 371.434 2.134 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000246314695 672834792 /nfs/dbraw/zinc/83/47/92/672834792.db2.gz GLBSQPAJNAYYCG-VHSXEESVSA-N 1 0 357.794 2.316 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000593729591 672983683 /nfs/dbraw/zinc/98/36/83/672983683.db2.gz GUFAJVLTJDFDPE-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH2+]CC2)cc1OC ZINC000593918823 673008197 /nfs/dbraw/zinc/00/81/97/673008197.db2.gz KEVWLVREWREUFZ-UHFFFAOYSA-N 1 0 351.403 2.122 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594017067 673021013 /nfs/dbraw/zinc/02/10/13/673021013.db2.gz PVLWSYDLMJSJSU-ZDUSSCGKSA-N 1 0 351.403 2.169 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594106234 673032016 /nfs/dbraw/zinc/03/20/16/673032016.db2.gz RDSBRUPFBIJHGC-OKILXGFUSA-N 1 0 367.471 2.293 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000594575077 673100971 /nfs/dbraw/zinc/10/09/71/673100971.db2.gz OCYHFZKYZPBFPI-HNNXBMFYSA-N 1 0 368.455 2.450 20 5 FEBDRO COCc1csc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000594732443 673125528 /nfs/dbraw/zinc/12/55/28/673125528.db2.gz KWGMGENFBSHAAF-UHFFFAOYSA-N 1 0 370.452 2.366 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595117914 673196647 /nfs/dbraw/zinc/19/66/47/673196647.db2.gz GHNRMOSJQDXCRR-IUODEOHRSA-N 1 0 355.460 2.431 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000595119887 673197131 /nfs/dbraw/zinc/19/71/31/673197131.db2.gz LUKHEPGYKIFKOQ-IAGOWNOFSA-N 1 0 361.423 2.019 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1SC ZINC000424031554 673203265 /nfs/dbraw/zinc/20/32/65/673203265.db2.gz SQMKCBMKZUWGNJ-MRXNPFEDSA-N 1 0 351.428 2.293 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000595411719 673245955 /nfs/dbraw/zinc/24/59/55/673245955.db2.gz SBHFDEMESWHXGE-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO [NH3+]C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000595967290 673344961 /nfs/dbraw/zinc/34/49/61/673344961.db2.gz RHDPNMMHTGICND-UHFFFAOYSA-N 1 0 356.220 2.288 20 5 FEBDRO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cccc2c1CC[NH2+]C2 ZINC000596070302 673355739 /nfs/dbraw/zinc/35/57/39/673355739.db2.gz ANIKEDXMLOQAAD-UHFFFAOYSA-N 1 0 364.199 2.213 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596078670 673356648 /nfs/dbraw/zinc/35/66/48/673356648.db2.gz XSLXLJKTRWPSQA-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO CN(CCC[NH+](C)C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000596423805 673384048 /nfs/dbraw/zinc/38/40/48/673384048.db2.gz CJUHKPNBZHBCTA-UHFFFAOYSA-N 1 0 360.256 2.048 20 5 FEBDRO COC(=O)c1cc(NCCN2C[C@@H](C)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427249 673384256 /nfs/dbraw/zinc/38/42/56/673384256.db2.gz DNJPWJIUWPSUSO-QWHCGFSZSA-N 1 0 351.403 2.211 20 5 FEBDRO C[C@@H]1CN(CCNc2ncc(Br)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596428048 673384352 /nfs/dbraw/zinc/38/43/52/673384352.db2.gz GSJWKXRFUCUHGD-NXEZZACHSA-N 1 0 359.224 2.273 20 5 FEBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596463846 673387465 /nfs/dbraw/zinc/38/74/65/673387465.db2.gz TZGMKJDNVDPNFD-UHFFFAOYSA-N 1 0 362.352 2.070 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000596565739 673394098 /nfs/dbraw/zinc/39/40/98/673394098.db2.gz FERJUMASMJJABD-NSHDSACASA-N 1 0 373.251 2.299 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597573838 673488723 /nfs/dbraw/zinc/48/87/23/673488723.db2.gz JMTSGBUBLNMMRQ-INIZCTEOSA-N 1 0 355.822 2.085 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000597941491 673521672 /nfs/dbraw/zinc/52/16/72/673521672.db2.gz BCYNGVPVRMQGGV-GJZGRUSLSA-N 1 0 350.463 2.087 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000540125969 673524779 /nfs/dbraw/zinc/52/47/79/673524779.db2.gz SQLJSYLDOJIDAH-GFCCVEGCSA-N 1 0 351.794 2.014 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989300 673527198 /nfs/dbraw/zinc/52/71/98/673527198.db2.gz BWYLRVZIFBETFK-UHFFFAOYSA-N 1 0 356.854 2.170 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348631 673535423 /nfs/dbraw/zinc/53/54/23/673535423.db2.gz RNOYGKSJMYGBES-UONOGXRCSA-N 1 0 350.419 2.066 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000598539669 673580434 /nfs/dbraw/zinc/58/04/34/673580434.db2.gz KJOMWFOJTMKSIE-HNNXBMFYSA-N 1 0 369.849 2.360 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000598540835 673580715 /nfs/dbraw/zinc/58/07/15/673580715.db2.gz QWWMNTIJAMLBFY-GFCCVEGCSA-N 1 0 355.822 2.431 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598574755 673585334 /nfs/dbraw/zinc/58/53/34/673585334.db2.gz SXPPDCGVRCUSOD-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610438 673590050 /nfs/dbraw/zinc/59/00/50/673590050.db2.gz BVQSOPWFICELMZ-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598617360 673590961 /nfs/dbraw/zinc/59/09/61/673590961.db2.gz SCEJXCBRUBKZID-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598667479 673596132 /nfs/dbraw/zinc/59/61/32/673596132.db2.gz IQWBSJAFAYXOLI-OTYXRUKQSA-N 1 0 354.204 2.311 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1Br ZINC000738106568 673602533 /nfs/dbraw/zinc/60/25/33/673602533.db2.gz YIIDWOJVVPXJQB-LLVKDONJSA-N 1 0 358.240 2.072 20 5 FEBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000599104293 673633496 /nfs/dbraw/zinc/63/34/96/673633496.db2.gz VHKFNZDEYQSLCN-UHFFFAOYSA-N 1 0 361.423 2.336 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000599183418 673639196 /nfs/dbraw/zinc/63/91/96/673639196.db2.gz MSPLQSGQFZSMEZ-UHFFFAOYSA-N 1 0 351.451 2.201 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599463978 673678552 /nfs/dbraw/zinc/67/85/52/673678552.db2.gz ICUYSEWSYZRRLQ-CQSZACIVSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[C@@H]1C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544598001 673719787 /nfs/dbraw/zinc/71/97/87/673719787.db2.gz UBRVPVYHXXPNNZ-DZGCQCFKSA-N 1 0 356.444 2.163 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544622830 673721469 /nfs/dbraw/zinc/72/14/69/673721469.db2.gz VRFOVJKLFXIQRZ-UHFFFAOYSA-N 1 0 354.382 2.044 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000544748790 673730227 /nfs/dbraw/zinc/73/02/27/673730227.db2.gz RERJIYSTTLAZPI-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO CCN(CC[NH3+])Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000600776277 673798233 /nfs/dbraw/zinc/79/82/33/673798233.db2.gz QTQFIGYADAZAFY-UHFFFAOYSA-N 1 0 351.325 2.325 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546780293 673818382 /nfs/dbraw/zinc/81/83/82/673818382.db2.gz YNEGUJROAIJNLA-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(F)cc1[N+](=O)[O-] ZINC000601342160 673845032 /nfs/dbraw/zinc/84/50/32/673845032.db2.gz RPEMIFWUNGEKJX-LBPRGKRZSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601433680 673861664 /nfs/dbraw/zinc/86/16/64/673861664.db2.gz HXPLOIFWOYLTIX-LBPRGKRZSA-N 1 0 359.423 2.146 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000746048324 673861880 /nfs/dbraw/zinc/86/18/80/673861880.db2.gz FJQCZUVZZDZRJM-CQSZACIVSA-N 1 0 363.439 2.365 20 5 FEBDRO CS[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000601437883 673862500 /nfs/dbraw/zinc/86/25/00/673862500.db2.gz WOKRHNYNWQMYOZ-KBPBESRZSA-N 1 0 353.419 2.386 20 5 FEBDRO CNC(=O)[C@@H](C)CN(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602482078 673906643 /nfs/dbraw/zinc/90/66/43/673906643.db2.gz FHWLOCQSGDEYQT-ZETCQYMHSA-N 1 0 350.238 2.233 20 5 FEBDRO C[C@@H]1COCCN1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602593609 673908296 /nfs/dbraw/zinc/90/82/96/673908296.db2.gz LHGIXFBFHWKNFE-SECBINFHSA-N 1 0 364.265 2.229 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@]2(CCO)CCOC2)cc1Br ZINC000602636548 673909225 /nfs/dbraw/zinc/90/92/25/673909225.db2.gz IPBYOZPKBWIODM-NSHDSACASA-N 1 0 351.222 2.050 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987769 673914681 /nfs/dbraw/zinc/91/46/81/673914681.db2.gz QQJYBZSWVQYLND-GBIKHYSHSA-N 1 0 361.320 2.024 20 5 FEBDRO CN(CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000818966586 675247647 /nfs/dbraw/zinc/24/76/47/675247647.db2.gz LLOHHSSPQWMRDF-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567859251 675329914 /nfs/dbraw/zinc/32/99/14/675329914.db2.gz ZBJWNULZTRYQHP-MRXNPFEDSA-N 1 0 361.423 2.150 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C1 ZINC000822673287 675499754 /nfs/dbraw/zinc/49/97/54/675499754.db2.gz NLSCVGLEXSMISO-LLVKDONJSA-N 1 0 368.821 2.278 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000823276691 675541422 /nfs/dbraw/zinc/54/14/22/675541422.db2.gz VLNBQDOSSIEZIC-GZMMTYOYSA-N 1 0 356.785 2.136 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(F)(F)F ZINC000825202589 675641491 /nfs/dbraw/zinc/64/14/91/675641491.db2.gz SGIIVOWXNPOLKY-ZDUSSCGKSA-N 1 0 360.336 2.205 20 5 FEBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000826686940 675700423 /nfs/dbraw/zinc/70/04/23/675700423.db2.gz YHJXTPBROFNAAV-VIFPVBQESA-N 1 0 361.229 2.458 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827266960 675743882 /nfs/dbraw/zinc/74/38/82/675743882.db2.gz MBHOHCNJMGBWOM-YGRLFVJLSA-N 1 0 355.797 2.482 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827500443 675760825 /nfs/dbraw/zinc/76/08/25/675760825.db2.gz APCVJWFLFNVMQN-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1SC ZINC000619251662 676368849 /nfs/dbraw/zinc/36/88/49/676368849.db2.gz KCOYGPACADOIQV-UHFFFAOYSA-N 1 0 351.428 2.103 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000760595781 680693947 /nfs/dbraw/zinc/69/39/47/680693947.db2.gz VAGIIYGTUDGBQL-UHFFFAOYSA-N 1 0 370.818 2.342 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000760811746 680701863 /nfs/dbraw/zinc/70/18/63/680701863.db2.gz FPYQGZAFIGHRPN-LBPRGKRZSA-N 1 0 356.220 2.427 20 5 FEBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000839506177 680757860 /nfs/dbraw/zinc/75/78/60/680757860.db2.gz NJVGJYSTQZZJOR-UHFFFAOYSA-N 1 0 371.459 2.069 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1Br ZINC000839651272 680769116 /nfs/dbraw/zinc/76/91/16/680769116.db2.gz OAUVANARDAEDHB-RYUDHWBXSA-N 1 0 359.220 2.234 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](CCCCO)CC1 ZINC000765512645 680844688 /nfs/dbraw/zinc/84/46/88/680844688.db2.gz AQWFLUWSBOUOPQ-UHFFFAOYSA-N 1 0 358.236 2.252 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000765796058 680855597 /nfs/dbraw/zinc/85/55/97/680855597.db2.gz MBIOFVKHYKIGJY-PWSUYJOCSA-N 1 0 356.220 2.362 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)nn1 ZINC000841099371 680863324 /nfs/dbraw/zinc/86/33/24/680863324.db2.gz JAIFELFQBKFQSF-AWEZNQCLSA-N 1 0 350.810 2.136 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000749146622 680023453 /nfs/dbraw/zinc/02/34/53/680023453.db2.gz IVWVBTFCCZPMFK-LBPRGKRZSA-N 1 0 352.391 2.082 20 5 FEBDRO CCO[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831772260 680041146 /nfs/dbraw/zinc/04/11/46/680041146.db2.gz YTNNCWJQALKQFA-GXTWGEPZSA-N 1 0 355.460 2.158 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832495919 680140182 /nfs/dbraw/zinc/14/01/82/680140182.db2.gz JIXPKDGFIIABMM-ZIAGYGMSSA-N 1 0 350.375 2.035 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000833553958 680195446 /nfs/dbraw/zinc/19/54/46/680195446.db2.gz YNDLXEHARGQXGE-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429732 680332328 /nfs/dbraw/zinc/33/23/28/680332328.db2.gz VCWIWEZYIOVOBW-CZUORRHYSA-N 1 0 351.834 2.394 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000996429750 680332447 /nfs/dbraw/zinc/33/24/47/680332447.db2.gz WAPBCDLTOYCYMJ-IUODEOHRSA-N 1 0 355.797 2.225 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754391962 680354009 /nfs/dbraw/zinc/35/40/09/680354009.db2.gz YXUZQCNKQHWXQR-OLZOCXBDSA-N 1 0 352.412 2.109 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CC(F)(F)C3)C2)CC1 ZINC001035186333 680443691 /nfs/dbraw/zinc/44/36/91/680443691.db2.gz BHNMQKKWHPIKEE-ZIAGYGMSSA-N 1 0 357.401 2.011 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000836698059 680501694 /nfs/dbraw/zinc/50/16/94/680501694.db2.gz MHSMJCJQJXUUHQ-GFCCVEGCSA-N 1 0 368.865 2.170 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002788253 680508326 /nfs/dbraw/zinc/50/83/26/680508326.db2.gz OZKKACOHMJJIEN-HUUCEWRRSA-N 1 0 353.369 2.370 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787358 680508533 /nfs/dbraw/zinc/50/85/33/680508533.db2.gz JEMSPEAXOLORHS-GDBMZVCRSA-N 1 0 351.834 2.128 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN(CC(F)F)C3)CC2)cc1 ZINC000841769088 680911109 /nfs/dbraw/zinc/91/11/09/680911109.db2.gz JJIJOUZPKTUYMC-AWEZNQCLSA-N 1 0 354.401 2.493 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000768543689 680949846 /nfs/dbraw/zinc/94/98/46/680949846.db2.gz DGWIUBBJDAWNBR-IAGOWNOFSA-N 1 0 352.337 2.100 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Br)cnc2Cl)c1 ZINC000842691823 680959820 /nfs/dbraw/zinc/95/98/20/680959820.db2.gz MUEGGDPRTJFTRK-UHFFFAOYSA-N 1 0 360.599 2.392 20 5 FEBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842860951 680971863 /nfs/dbraw/zinc/97/18/63/680971863.db2.gz XNZVJFWBUDTPLM-GFCCVEGCSA-N 1 0 364.427 2.035 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000843066480 680985539 /nfs/dbraw/zinc/98/55/39/680985539.db2.gz RJIGULNEBQQZKW-LRDDRELGSA-N 1 0 366.801 2.311 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000843367183 680999967 /nfs/dbraw/zinc/99/99/67/680999967.db2.gz AUUHOHZOHLZHQA-KGYLQXTDSA-N 1 0 352.822 2.246 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843451569 681004651 /nfs/dbraw/zinc/00/46/51/681004651.db2.gz UAUYMMLLTSJOTC-JTQLQIEISA-N 1 0 372.194 2.463 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000843758685 681016897 /nfs/dbraw/zinc/01/68/97/681016897.db2.gz UTYDJOQECNRYGE-ZDUSSCGKSA-N 1 0 353.394 2.129 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H]1CC[N@H+](C)C1 ZINC000843987916 681029338 /nfs/dbraw/zinc/02/93/38/681029338.db2.gz GUIAUONLCJRYQV-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000771509778 681057777 /nfs/dbraw/zinc/05/77/77/681057777.db2.gz LHMOBQKMSBAHES-VIFPVBQESA-N 1 0 351.432 2.306 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933059938 681356159 /nfs/dbraw/zinc/35/61/59/681356159.db2.gz CMSPMHXCKYYLNP-MRXNPFEDSA-N 1 0 350.415 2.499 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934337734 681554800 /nfs/dbraw/zinc/55/48/00/681554800.db2.gz USASEVHNFQOTJS-DZGCQCFKSA-N 1 0 363.439 2.356 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848581125 681582061 /nfs/dbraw/zinc/58/20/61/681582061.db2.gz JKCVSWOVHFTIKH-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000848755326 681615724 /nfs/dbraw/zinc/61/57/24/681615724.db2.gz NGKPVKCWDMENPY-AOOOYVTPSA-N 1 0 363.386 2.343 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000934977824 681667559 /nfs/dbraw/zinc/66/75/59/681667559.db2.gz JDTZBCFBECANKC-ZDUSSCGKSA-N 1 0 369.849 2.096 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000780865690 681879022 /nfs/dbraw/zinc/87/90/22/681879022.db2.gz BOVKNEPNSOAVES-SNVBAGLBSA-N 1 0 361.851 2.319 20 5 FEBDRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000914098125 685494413 /nfs/dbraw/zinc/49/44/13/685494413.db2.gz VKLBEWOMUNOCOZ-CQSZACIVSA-N 1 0 350.419 2.067 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525091 682053838 /nfs/dbraw/zinc/05/38/38/682053838.db2.gz VFDKJYNVODCEEZ-CHWSQXEVSA-N 1 0 352.410 2.477 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000917082685 685529546 /nfs/dbraw/zinc/52/95/46/685529546.db2.gz YAJWSOUFVXFQGL-CHWSQXEVSA-N 1 0 350.375 2.342 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000917838586 685534932 /nfs/dbraw/zinc/53/49/32/685534932.db2.gz MFUYEGXEQFYUJZ-LLVKDONJSA-N 1 0 350.375 2.416 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000852787065 682342948 /nfs/dbraw/zinc/34/29/48/682342948.db2.gz NJRRREGJSSSNQY-SNVBAGLBSA-N 1 0 363.805 2.320 20 5 FEBDRO C[NH+](C)C1(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000919112206 685544637 /nfs/dbraw/zinc/54/46/37/685544637.db2.gz WAMXCWUUEQQNEB-UHFFFAOYSA-N 1 0 356.220 2.458 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000853131697 682380579 /nfs/dbraw/zinc/38/05/79/682380579.db2.gz LQMUZYFRRZBRRH-LSDHHAIUSA-N 1 0 356.300 2.369 20 5 FEBDRO O=[N+]([O-])c1cn(CN2CCS[C@H]3COCC[C@H]32)nc1-c1ccccn1 ZINC000853503995 682424507 /nfs/dbraw/zinc/42/45/07/682424507.db2.gz XGAOJCWYOWEOTK-HIFRSBDPSA-N 1 0 361.427 2.017 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000856254420 682758301 /nfs/dbraw/zinc/75/83/01/682758301.db2.gz BPOJVWWJAHNLDX-CYBMUJFWSA-N 1 0 367.833 2.228 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000856428075 682780848 /nfs/dbraw/zinc/78/08/48/682780848.db2.gz NSBQFEIJVOODPU-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1F ZINC000857680785 682903779 /nfs/dbraw/zinc/90/37/79/682903779.db2.gz TWKQKEBMNPBIIZ-CQSZACIVSA-N 1 0 353.394 2.225 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000858763067 682999831 /nfs/dbraw/zinc/99/98/31/682999831.db2.gz DANUQPKQKRZUBC-UHFFFAOYSA-N 1 0 350.375 2.194 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859883874 683168256 /nfs/dbraw/zinc/16/82/56/683168256.db2.gz OWOTUELZDWPFEL-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860051408 683195670 /nfs/dbraw/zinc/19/56/70/683195670.db2.gz NEKCZAZCHHARKR-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO C[C@@H](C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097971 683201929 /nfs/dbraw/zinc/20/19/29/683201929.db2.gz XFAMFPGCJCKJHL-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO C[S@](=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000798003423 683301841 /nfs/dbraw/zinc/30/18/41/683301841.db2.gz DCXDFBPBZKJUEO-DEOSSOPVSA-N 1 0 351.472 2.454 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798172568 683317804 /nfs/dbraw/zinc/31/78/04/683317804.db2.gz JJHFCIRKDYNVTI-JTQLQIEISA-N 1 0 371.235 2.166 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090405 683379733 /nfs/dbraw/zinc/37/97/33/683379733.db2.gz HXVZCQBHECDNAS-JKSUJKDBSA-N 1 0 360.439 2.386 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094202 683384226 /nfs/dbraw/zinc/38/42/26/683384226.db2.gz AMAKRRMCNPEVAD-SWLSCSKDSA-N 1 0 360.439 2.386 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862032566 683519511 /nfs/dbraw/zinc/51/95/11/683519511.db2.gz USZIWWNPBCLEBG-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000929472830 683601069 /nfs/dbraw/zinc/60/10/69/683601069.db2.gz VHVHMAFUNGMZSX-AWEZNQCLSA-N 1 0 367.471 2.403 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000930205256 683692655 /nfs/dbraw/zinc/69/26/55/683692655.db2.gz SCFRFSLWYSPYHB-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930863182 683794129 /nfs/dbraw/zinc/79/41/29/683794129.db2.gz GVWALXUGOVFFIE-KFWWJZLASA-N 1 0 357.451 2.190 20 5 FEBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864443386 683853638 /nfs/dbraw/zinc/85/36/38/683853638.db2.gz ZQLUXSFOUKQNAH-UHFFFAOYSA-N 1 0 356.220 2.064 20 5 FEBDRO C[NH+](C)CCCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865796910 684029790 /nfs/dbraw/zinc/02/97/90/684029790.db2.gz CSTNDXDUKRGLDE-UHFFFAOYSA-N 1 0 358.236 2.358 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000866819180 684160131 /nfs/dbraw/zinc/16/01/31/684160131.db2.gz DAEXJDSUTPCGAL-AAEUAGOBSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1F ZINC000867262308 684234627 /nfs/dbraw/zinc/23/46/27/684234627.db2.gz TUHCUHQLNILQAV-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO C[N@@H+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931311764 684259560 /nfs/dbraw/zinc/25/95/60/684259560.db2.gz SKWBHEKPMLPTIE-CALCHBBNSA-N 1 0 366.849 2.460 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c(Cl)c1 ZINC000923731864 684341884 /nfs/dbraw/zinc/34/18/84/684341884.db2.gz PIMDAOVOUWHBLY-AWEZNQCLSA-N 1 0 359.835 2.155 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874829716 685677543 /nfs/dbraw/zinc/67/75/43/685677543.db2.gz NANJODXHBXUFSF-UONOGXRCSA-N 1 0 350.394 2.109 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000877360066 686362678 /nfs/dbraw/zinc/36/26/78/686362678.db2.gz VUTLCBDXVWOMBQ-QWRGUYRKSA-N 1 0 361.320 2.121 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000879274400 686784760 /nfs/dbraw/zinc/78/47/60/686784760.db2.gz PSALDCMADIVLHP-IRXDYDNUSA-N 1 0 352.337 2.404 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000879272985 686784884 /nfs/dbraw/zinc/78/48/84/686784884.db2.gz FWQHPHJDSFJOEI-RDJZCZTQSA-N 1 0 352.337 2.404 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134441 687003859 /nfs/dbraw/zinc/00/38/59/687003859.db2.gz MVJXRFHZWZTOOH-HUUCEWRRSA-N 1 0 352.822 2.355 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863594 687238464 /nfs/dbraw/zinc/23/84/64/687238464.db2.gz CJYVYBQRNRPPME-LBPRGKRZSA-N 1 0 356.220 2.458 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000882484292 687375474 /nfs/dbraw/zinc/37/54/74/687375474.db2.gz YHKDTZOCBPFUGA-JTQLQIEISA-N 1 0 361.320 2.360 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000882501319 687379656 /nfs/dbraw/zinc/37/96/56/687379656.db2.gz RELCBUHIIYQZFT-DGCLKSJQSA-N 1 0 373.862 2.271 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562430 688275029 /nfs/dbraw/zinc/27/50/29/688275029.db2.gz ZTTHGJWXIRYGLF-SDDRHHMPSA-N 1 0 351.428 2.225 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889716408 688810596 /nfs/dbraw/zinc/81/05/96/688810596.db2.gz RHNWUEIDUCOOAX-LBPRGKRZSA-N 1 0 371.235 2.251 20 5 FEBDRO COc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000894480342 689540800 /nfs/dbraw/zinc/54/08/00/689540800.db2.gz YZFZRPXIKRUWGJ-UHFFFAOYSA-N 1 0 350.419 2.301 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)cc1Cl ZINC000896689414 689917135 /nfs/dbraw/zinc/91/71/35/689917135.db2.gz DDFFPSDWVBPBMV-UHFFFAOYSA-N 1 0 356.806 2.386 20 5 FEBDRO COC(=O)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC1CCCC1 ZINC000898347420 690162403 /nfs/dbraw/zinc/16/24/03/690162403.db2.gz PBIRDUFJSBKTDS-WLYUNCDWSA-N 1 0 350.419 2.454 20 5 FEBDRO CO[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364071 690886148 /nfs/dbraw/zinc/88/61/48/690886148.db2.gz UAWKYAVMIBNVDN-DLBZAZTESA-N 1 0 368.455 2.156 20 5 FEBDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000903464951 690897085 /nfs/dbraw/zinc/89/70/85/690897085.db2.gz CLPNHAVWNCOJEB-IINYFYTJSA-N 1 0 352.822 2.449 20 5 FEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904393358 691024475 /nfs/dbraw/zinc/02/44/75/691024475.db2.gz QYHHKJOCQMAXHG-PPKCKEKNSA-N 1 0 355.192 2.372 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905426789 691117393 /nfs/dbraw/zinc/11/73/93/691117393.db2.gz KKPOWPIYDMEOOX-CYBMUJFWSA-N 1 0 359.220 2.113 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000905477027 691123771 /nfs/dbraw/zinc/12/37/71/691123771.db2.gz DARFPDWSYNHTTE-GJZGRUSLSA-N 1 0 350.415 2.273 20 5 FEBDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)O2)[C@H]1C ZINC000905488802 691125103 /nfs/dbraw/zinc/12/51/03/691125103.db2.gz XNSYZXIZDMYWEY-RGYORQFESA-N 1 0 350.415 2.190 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905518144 691130723 /nfs/dbraw/zinc/13/07/23/691130723.db2.gz XASJENODAOSACZ-UHIISALHSA-N 1 0 364.320 2.034 20 5 FEBDRO C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000908077428 691610689 /nfs/dbraw/zinc/61/06/89/691610689.db2.gz ZGQZESSZGPSPOB-AWEZNQCLSA-N 1 0 372.219 2.143 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000908597246 691703426 /nfs/dbraw/zinc/70/34/26/691703426.db2.gz IAYKLENRGMYBQX-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814829 720099122 /nfs/dbraw/zinc/09/91/22/720099122.db2.gz WZSFYKJDROZJGN-KBXCAEBGSA-N 1 0 364.421 2.314 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724900 720357484 /nfs/dbraw/zinc/35/74/84/720357484.db2.gz LNVFPSOCAITKQN-HUUCEWRRSA-N 1 0 370.369 2.146 20 5 FEBDRO COc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726503 720375449 /nfs/dbraw/zinc/37/54/49/720375449.db2.gz OZWOXXFMYQUEAU-CVEARBPZSA-N 1 0 355.398 2.247 20 5 FEBDRO Cc1cc(Cl)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001164728607 720511540 /nfs/dbraw/zinc/51/15/40/720511540.db2.gz GQIFLJCXCDVPEZ-LBPRGKRZSA-N 1 0 364.837 2.346 20 5 FEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@@H]2C ZINC001164863599 720971595 /nfs/dbraw/zinc/97/15/95/720971595.db2.gz XHUIFELGLJTAJK-GFCCVEGCSA-N 1 0 359.434 2.190 20 5 FEBDRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164869240 721048862 /nfs/dbraw/zinc/04/88/62/721048862.db2.gz SRCUHQUYAKTOGJ-DLBZAZTESA-N 1 0 369.425 2.173 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932467 721858213 /nfs/dbraw/zinc/85/82/13/721858213.db2.gz XZSQQONGHBSNNC-QZTJIDSGSA-N 1 0 355.442 2.358 20 5 FEBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485397532 887641417 /nfs/dbraw/zinc/64/14/17/887641417.db2.gz AMZSMMYKIVMTGD-UHFFFAOYSA-N 1 0 359.405 2.455 20 5 FEBDRO COCC[N@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000505564713 889684979 /nfs/dbraw/zinc/68/49/79/889684979.db2.gz PKWMDCUVIAFWIA-CQSZACIVSA-N 1 0 360.418 2.089 20 5 FEBDRO O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])OCCC[NH+]1CCCC1 ZINC000800165996 674028361 /nfs/dbraw/zinc/02/83/61/674028361.db2.gz YAXVBACTZWUXAS-UHFFFAOYSA-N 1 0 369.805 2.007 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031219262 539901429 /nfs/dbraw/zinc/90/14/29/539901429.db2.gz KOAWNRUSOMXHOL-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000043004356 540085246 /nfs/dbraw/zinc/08/52/46/540085246.db2.gz VCTVFEFIUFWZKA-UHFFFAOYSA-N 1 0 363.462 2.158 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000045802253 540228564 /nfs/dbraw/zinc/22/85/64/540228564.db2.gz ZAACCHXIZWKBMT-UHFFFAOYSA-N 1 0 363.462 2.054 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000047434464 540310927 /nfs/dbraw/zinc/31/09/27/540310927.db2.gz RQNXLXMTQJPCMH-HUUCEWRRSA-N 1 0 364.446 2.012 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCC1 ZINC000048744496 540372322 /nfs/dbraw/zinc/37/23/22/540372322.db2.gz RPTLNMDVZVESLX-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO Cn1cc(C(=O)NCC(C)(C)C[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000052937295 540501150 /nfs/dbraw/zinc/50/11/50/540501150.db2.gz IESJQGRTQQUHPM-UHFFFAOYSA-N 1 0 359.430 2.313 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000052753023 540487381 /nfs/dbraw/zinc/48/73/81/540487381.db2.gz AYIAOKDAUAHPRN-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NCC(F)(F)F ZINC000056195819 540710577 /nfs/dbraw/zinc/71/05/77/540710577.db2.gz GANMACOUKWVZEV-IUCAKERBSA-N 1 0 362.308 2.022 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000057055034 540765408 /nfs/dbraw/zinc/76/54/08/540765408.db2.gz YMVPBWOGPGLAHM-UHFFFAOYSA-N 1 0 369.425 2.298 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000057148213 540772228 /nfs/dbraw/zinc/77/22/28/540772228.db2.gz JTJFNLWQYXPQDI-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057167435 540775025 /nfs/dbraw/zinc/77/50/25/540775025.db2.gz GNPWPAPCJHUKHL-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000057700855 540809299 /nfs/dbraw/zinc/80/92/99/540809299.db2.gz ATUWVUQUDIODTN-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)cc1C ZINC000060499700 541114894 /nfs/dbraw/zinc/11/48/94/541114894.db2.gz IONAIXNVOLQFAW-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000061198851 541127799 /nfs/dbraw/zinc/12/77/99/541127799.db2.gz LPHXCWUBYDLIMB-UHFFFAOYSA-N 1 0 363.462 2.214 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000065977940 541276222 /nfs/dbraw/zinc/27/62/22/541276222.db2.gz JYLCROCCHTUTGG-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@H+](C)[C@@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000066137014 541283600 /nfs/dbraw/zinc/28/36/00/541283600.db2.gz FYUAYSUBQZUFBN-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000066196548 541289494 /nfs/dbraw/zinc/28/94/94/541289494.db2.gz UAHLRXDDIQABLV-HNNXBMFYSA-N 1 0 363.462 2.157 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1 ZINC000067105544 541418461 /nfs/dbraw/zinc/41/84/61/541418461.db2.gz BYTWUDBXNWLUIT-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO C[NH+]1CCN(C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000068024286 541539800 /nfs/dbraw/zinc/53/98/00/541539800.db2.gz MTOWIAVTWNAXFH-LJQANCHMSA-N 1 0 368.437 2.313 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469714 541687823 /nfs/dbraw/zinc/68/78/23/541687823.db2.gz FLRUWKHJKWCEAB-UHFFFAOYSA-N 1 0 364.446 2.489 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000070830298 541745881 /nfs/dbraw/zinc/74/58/81/541745881.db2.gz IEHNRYMJAOWTKI-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000072716351 541855645 /nfs/dbraw/zinc/85/56/45/541855645.db2.gz KXAGQSDUKBKMKF-CYBMUJFWSA-N 1 0 371.434 2.086 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000072716919 541856638 /nfs/dbraw/zinc/85/66/38/541856638.db2.gz OTIKDTVVJUIECQ-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072725285 541858959 /nfs/dbraw/zinc/85/89/59/541858959.db2.gz WLNYTLZMSMBJFC-INIZCTEOSA-N 1 0 360.458 2.290 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000075721180 542201366 /nfs/dbraw/zinc/20/13/66/542201366.db2.gz BMSVIWQSRSJZCM-IBGZPJMESA-N 1 0 374.441 2.081 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000076315839 542260313 /nfs/dbraw/zinc/26/03/13/542260313.db2.gz JGBFLJSCHNAJPT-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077850534 542427523 /nfs/dbraw/zinc/42/75/23/542427523.db2.gz CJDMFELYSXPELK-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332842 542455740 /nfs/dbraw/zinc/45/57/40/542455740.db2.gz GLXABHSKGIWVSY-TZMCWYRMSA-N 1 0 355.460 2.165 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078644244 542473367 /nfs/dbraw/zinc/47/33/67/542473367.db2.gz AOTNQDYHEUYXMN-LBPRGKRZSA-N 1 0 356.810 2.481 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000078660464 542474939 /nfs/dbraw/zinc/47/49/39/542474939.db2.gz JSXMSNVJHDCXHN-JSGCOSHPSA-N 1 0 351.403 2.044 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089963367 542779421 /nfs/dbraw/zinc/77/94/21/542779421.db2.gz WDJPRCKQLRMRLC-MSOLQXFVSA-N 1 0 369.421 2.268 20 5 FEBDRO CC(C)C(=O)NCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092103641 542846071 /nfs/dbraw/zinc/84/60/71/542846071.db2.gz NIEONSDQTIBHHI-UHFFFAOYSA-N 1 0 359.430 2.199 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092659949 542878059 /nfs/dbraw/zinc/87/80/59/542878059.db2.gz BETHIJABBHMUTH-CQSZACIVSA-N 1 0 371.441 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1C ZINC000104755329 543142487 /nfs/dbraw/zinc/14/24/87/543142487.db2.gz OIGNXLYIOHAMTH-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000106479597 543231945 /nfs/dbraw/zinc/23/19/45/543231945.db2.gz JQZXZPVFCWFLKZ-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000107325699 543266496 /nfs/dbraw/zinc/26/64/96/543266496.db2.gz QLEGNLLMUOUCSP-KRWDZBQOSA-N 1 0 361.446 2.229 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108403871 543288794 /nfs/dbraw/zinc/28/87/94/543288794.db2.gz CNGBBUDLBWJZST-LBPRGKRZSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000114398951 543513328 /nfs/dbraw/zinc/51/33/28/543513328.db2.gz GRYUHQZBFUVNBU-LBPRGKRZSA-N 1 0 350.375 2.144 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000117335569 543629345 /nfs/dbraw/zinc/62/93/45/543629345.db2.gz FUYRCLGGEHJKDF-CYBMUJFWSA-N 1 0 361.398 2.394 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000121412920 543694241 /nfs/dbraw/zinc/69/42/41/543694241.db2.gz YMTLBSJCPHCDRR-UHFFFAOYSA-N 1 0 363.462 2.442 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c1[N+](=O)[O-] ZINC000124262423 543810807 /nfs/dbraw/zinc/81/08/07/543810807.db2.gz CLUGDNFNKMMLSD-UHFFFAOYSA-N 1 0 372.429 2.373 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000125086195 543859661 /nfs/dbraw/zinc/85/96/61/543859661.db2.gz WINKZCQNRKGZQT-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000125332185 543875939 /nfs/dbraw/zinc/87/59/39/543875939.db2.gz RDTHLMPPGDIVHE-GDBMZVCRSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000125362656 543877031 /nfs/dbraw/zinc/87/70/31/543877031.db2.gz CWQREHUHXVFEGO-UHFFFAOYSA-N 1 0 373.456 2.310 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000125996347 543912875 /nfs/dbraw/zinc/91/28/75/543912875.db2.gz TZEJDXJYMDECSP-HIFRSBDPSA-N 1 0 357.414 2.111 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000126501420 543939812 /nfs/dbraw/zinc/93/98/12/543939812.db2.gz YZHVCWUMLZHRQA-UHFFFAOYSA-N 1 0 355.398 2.064 20 5 FEBDRO COc1cccc(CNC(=O)CN2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000131471878 544191603 /nfs/dbraw/zinc/19/16/03/544191603.db2.gz YPASGRBKJVBEPL-UHFFFAOYSA-N 1 0 355.394 2.278 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000132381127 544229378 /nfs/dbraw/zinc/22/93/78/544229378.db2.gz WMGJEBHXIZQMNZ-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000132668184 544240019 /nfs/dbraw/zinc/24/00/19/544240019.db2.gz HUWFQFLRQDPPLO-UHFFFAOYSA-N 1 0 366.761 2.450 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134934382 544328340 /nfs/dbraw/zinc/32/83/40/544328340.db2.gz OGISUJRCIUNJCZ-WMLDXEAASA-N 1 0 371.441 2.269 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150799751 544473768 /nfs/dbraw/zinc/47/37/68/544473768.db2.gz LVFCUEFNMJZIGM-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152299709 544636966 /nfs/dbraw/zinc/63/69/66/544636966.db2.gz HEQMZISOVCGCAP-GFCCVEGCSA-N 1 0 369.219 2.047 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152889104 544707066 /nfs/dbraw/zinc/70/70/66/544707066.db2.gz FVTOGSXVWDDAIH-ZBFHGGJFSA-N 1 0 367.471 2.316 20 5 FEBDRO Cn1c(Sc2ncc(Cl)cc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000153796842 544825158 /nfs/dbraw/zinc/82/51/58/544825158.db2.gz DCOOSNVMEIWRDE-UHFFFAOYSA-N 1 0 354.823 2.390 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000553390769 674257505 /nfs/dbraw/zinc/25/75/05/674257505.db2.gz NRJHABZZHYCYRZ-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c(C)c2)CC1 ZINC000179501301 327646814 /nfs/dbraw/zinc/64/68/14/327646814.db2.gz BBFRWRSUDDZQOX-UHFFFAOYSA-N 1 0 372.429 2.031 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000181510200 327733683 /nfs/dbraw/zinc/73/36/83/327733683.db2.gz LGOHGJUVBAIDKK-WMZOPIPTSA-N 1 0 352.431 2.255 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000181510239 327733811 /nfs/dbraw/zinc/73/38/11/327733811.db2.gz LGOHGJUVBAIDKK-FUHWJXTLSA-N 1 0 352.431 2.255 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182902758 327792850 /nfs/dbraw/zinc/79/28/50/327792850.db2.gz NZZKXGMVRKMHGL-MRXNPFEDSA-N 1 0 359.382 2.255 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1ccccc1 ZINC000183626142 327827338 /nfs/dbraw/zinc/82/73/38/327827338.db2.gz DZQPSNQMQYZPEC-MRXNPFEDSA-N 1 0 359.382 2.255 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000185062740 327897488 /nfs/dbraw/zinc/89/74/88/327897488.db2.gz RBOLTYLEYXDFHO-VXGBXAGGSA-N 1 0 359.423 2.193 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186656654 327973458 /nfs/dbraw/zinc/97/34/58/327973458.db2.gz LBXFTPSDBYBMMJ-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000186903536 327989478 /nfs/dbraw/zinc/98/94/78/327989478.db2.gz ROSGKEJUOYOEHA-MRXNPFEDSA-N 1 0 372.425 2.378 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188259093 328076354 /nfs/dbraw/zinc/07/63/54/328076354.db2.gz MLNDQVJZNBOADO-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000188259316 328076472 /nfs/dbraw/zinc/07/64/72/328076472.db2.gz JGPULLWINDGSAI-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189143643 328130937 /nfs/dbraw/zinc/13/09/37/328130937.db2.gz LMMXWGGMJCWEMY-ZIAGYGMSSA-N 1 0 355.460 2.135 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1(O)CCOCC1 ZINC000189792401 328168432 /nfs/dbraw/zinc/16/84/32/328168432.db2.gz GDYIALHFNUSQPP-LLVKDONJSA-N 1 0 371.821 2.049 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(C)(C)O)C1CC1 ZINC000189869026 328172691 /nfs/dbraw/zinc/17/26/91/328172691.db2.gz KNZCWOJBLIFQHZ-UHFFFAOYSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C[NH+](C)C ZINC000189889541 328174138 /nfs/dbraw/zinc/17/41/38/328174138.db2.gz SKGDSTSAFWZKCW-CYBMUJFWSA-N 1 0 364.446 2.344 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190162465 328191916 /nfs/dbraw/zinc/19/19/16/328191916.db2.gz ROOZTOCZMVPXNT-UHFFFAOYSA-N 1 0 370.837 2.377 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000191413955 328264690 /nfs/dbraw/zinc/26/46/90/328264690.db2.gz UKGXNPNYGAXQOB-HNNXBMFYSA-N 1 0 363.462 2.359 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)n1 ZINC000191498473 328268516 /nfs/dbraw/zinc/26/85/16/328268516.db2.gz KCMDIFIFAKGPRL-HNNXBMFYSA-N 1 0 357.414 2.378 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000191642012 328275474 /nfs/dbraw/zinc/27/54/74/328275474.db2.gz ZOZOCQCWQRQMHX-CHWSQXEVSA-N 1 0 365.430 2.141 20 5 FEBDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000191645875 328275567 /nfs/dbraw/zinc/27/55/67/328275567.db2.gz LZXKODOZPNAZEC-AWEZNQCLSA-N 1 0 373.413 2.105 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000191770021 328280641 /nfs/dbraw/zinc/28/06/41/328280641.db2.gz QCYOXEMCSYXNDO-OAHLLOKOSA-N 1 0 357.414 2.206 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000191801927 328282779 /nfs/dbraw/zinc/28/27/79/328282779.db2.gz MVKAWIZARZZKBL-INIZCTEOSA-N 1 0 371.441 2.106 20 5 FEBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000192037993 328295869 /nfs/dbraw/zinc/29/58/69/328295869.db2.gz FVFPSAFJVIUOJH-WDEREUQCSA-N 1 0 374.363 2.246 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000192514532 328323319 /nfs/dbraw/zinc/32/33/19/328323319.db2.gz DUHSTKXVRJJWDP-UHFFFAOYSA-N 1 0 372.429 2.087 20 5 FEBDRO COc1cccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000192687547 328333296 /nfs/dbraw/zinc/33/32/96/328333296.db2.gz DLWHEUQQFPTGET-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000192763379 328338418 /nfs/dbraw/zinc/33/84/18/328338418.db2.gz VBMODQFLIKZASS-HNNXBMFYSA-N 1 0 365.411 2.133 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192900556 328346006 /nfs/dbraw/zinc/34/60/06/328346006.db2.gz UXXDWUHKQYZITM-WFASDCNBSA-N 1 0 357.414 2.131 20 5 FEBDRO CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193024693 328352744 /nfs/dbraw/zinc/35/27/44/328352744.db2.gz HWUAREVHXCGBQG-INIZCTEOSA-N 1 0 355.460 2.450 20 5 FEBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193037839 328353416 /nfs/dbraw/zinc/35/34/16/328353416.db2.gz VZFUEACQLPAYCN-YGRLFVJLSA-N 1 0 361.851 2.434 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000193260807 328365625 /nfs/dbraw/zinc/36/56/25/328365625.db2.gz PDZMRSUOUKQJLD-SNVBAGLBSA-N 1 0 361.851 2.305 20 5 FEBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000193499363 328378936 /nfs/dbraw/zinc/37/89/36/328378936.db2.gz OXGCMJUCRDSJOI-DZGCQCFKSA-N 1 0 358.398 2.427 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000193712501 328391028 /nfs/dbraw/zinc/39/10/28/328391028.db2.gz QGGNAYVPSHJPSX-MRXNPFEDSA-N 1 0 372.421 2.444 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000193712488 328391152 /nfs/dbraw/zinc/39/11/52/328391152.db2.gz QGGNAYVPSHJPSX-INIZCTEOSA-N 1 0 372.421 2.444 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000010019541 324366238 /nfs/dbraw/zinc/36/62/38/324366238.db2.gz MVEYWHUTXUVZMB-QGZVFWFLSA-N 1 0 370.409 2.261 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000236873328 328496846 /nfs/dbraw/zinc/49/68/46/328496846.db2.gz HUEXCPJTWKUJPX-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000236886869 328497353 /nfs/dbraw/zinc/49/73/53/328497353.db2.gz SGQNRSXDEDAJMM-NEPJUHHUSA-N 1 0 351.403 2.202 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000065792170 324880244 /nfs/dbraw/zinc/88/02/44/324880244.db2.gz DOMOGTALYZJQLU-UHFFFAOYSA-N 1 0 367.471 2.406 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237236318 328509605 /nfs/dbraw/zinc/50/96/05/328509605.db2.gz ZQCDNMPLZAKGIL-NXEZZACHSA-N 1 0 373.356 2.404 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079278606 325084349 /nfs/dbraw/zinc/08/43/49/325084349.db2.gz FMNINEUMAAHGCG-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081293372 325168515 /nfs/dbraw/zinc/16/85/15/325168515.db2.gz GPJQNZHXEKDAIR-ZDUSSCGKSA-N 1 0 357.414 2.465 20 5 FEBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000081555140 325183543 /nfs/dbraw/zinc/18/35/43/325183543.db2.gz RHEGVGCXLGNQCH-VIFPVBQESA-N 1 0 361.345 2.019 20 5 FEBDRO C[C@]([NH3+])(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000237658607 328524085 /nfs/dbraw/zinc/52/40/85/328524085.db2.gz LXSLHZRSMYWWKU-LJQANCHMSA-N 1 0 354.410 2.118 20 5 FEBDRO COc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456485 325255411 /nfs/dbraw/zinc/25/54/11/325255411.db2.gz VHTDLWDZRJHRKB-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000085638825 325256840 /nfs/dbraw/zinc/25/68/40/325256840.db2.gz VRMFESQEPKWAFU-HNNXBMFYSA-N 1 0 362.430 2.398 20 5 FEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000090170688 325355511 /nfs/dbraw/zinc/35/55/11/325355511.db2.gz YMXZVHXUXNCBBD-UKRRQHHQSA-N 1 0 357.414 2.401 20 5 FEBDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522319 325362219 /nfs/dbraw/zinc/36/22/19/325362219.db2.gz OEFUMFDRWPZANK-INIZCTEOSA-N 1 0 357.410 2.472 20 5 FEBDRO CN(c1ccccc1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551764 325362540 /nfs/dbraw/zinc/36/25/40/325362540.db2.gz ZARJWCRXURTGOS-UHFFFAOYSA-N 1 0 356.426 2.357 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000237994475 328536954 /nfs/dbraw/zinc/53/69/54/328536954.db2.gz IMKQREFVWQJDME-UHFFFAOYSA-N 1 0 374.422 2.144 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003455 325430874 /nfs/dbraw/zinc/43/08/74/325430874.db2.gz CGGZJQCLDDYEEF-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245433045 328548461 /nfs/dbraw/zinc/54/84/61/328548461.db2.gz BOIXEZZZIYZGJT-YJBOKZPZSA-N 1 0 360.458 2.364 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109984179 325681621 /nfs/dbraw/zinc/68/16/21/325681621.db2.gz LMNGWVBEPXQMJJ-UHFFFAOYSA-N 1 0 358.398 2.039 20 5 FEBDRO COCCOC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000116886371 326039981 /nfs/dbraw/zinc/03/99/81/326039981.db2.gz CGTKREIAFJZQLU-UHFFFAOYSA-N 1 0 351.403 2.051 20 5 FEBDRO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866777 326109746 /nfs/dbraw/zinc/10/97/46/326109746.db2.gz PMKHOUFCKBLCKV-OAHLLOKOSA-N 1 0 356.382 2.463 20 5 FEBDRO CC(C)n1ccnc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119843635 326204272 /nfs/dbraw/zinc/20/42/72/326204272.db2.gz JRNVOSCXDBODEF-UHFFFAOYSA-N 1 0 357.414 2.330 20 5 FEBDRO CCC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000121648036 326355073 /nfs/dbraw/zinc/35/50/73/326355073.db2.gz FLEBFNPVVQIXFK-MRXNPFEDSA-N 1 0 351.447 2.406 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000121679710 326357850 /nfs/dbraw/zinc/35/78/50/326357850.db2.gz WEWVSGKSDZGNDX-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO CS(=O)(=O)c1cccc(NCCc2cn3c(n2)CCCC3)c1[N+](=O)[O-] ZINC000121840845 326371179 /nfs/dbraw/zinc/37/11/79/326371179.db2.gz RCCSQKBYSSHSJF-UHFFFAOYSA-N 1 0 364.427 2.186 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122426588 326396445 /nfs/dbraw/zinc/39/64/45/326396445.db2.gz WEWOTGNAPFUIQQ-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO O=C(CC[NH+]1CCC(C2OCCO2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128462937 326524216 /nfs/dbraw/zinc/52/42/16/326524216.db2.gz OOBSDOZXUGZWIT-UHFFFAOYSA-N 1 0 367.377 2.147 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000132845541 326598829 /nfs/dbraw/zinc/59/88/29/326598829.db2.gz APAHUJNSHARUHG-CYBMUJFWSA-N 1 0 353.444 2.047 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000133804065 326615042 /nfs/dbraw/zinc/61/50/42/326615042.db2.gz FWMZLVAFWMQJDC-HOTGVXAUSA-N 1 0 360.458 2.225 20 5 FEBDRO Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c(OCC[NH+](C)C)c1 ZINC000151343970 326680180 /nfs/dbraw/zinc/68/01/80/326680180.db2.gz ZCFSITUUJOKXOQ-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151627940 326687174 /nfs/dbraw/zinc/68/71/74/326687174.db2.gz HXGZYDXSPYCEGU-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO COc1cc(C(=O)NCCC[NH2+]C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000151769808 326690656 /nfs/dbraw/zinc/69/06/56/326690656.db2.gz QRUBBHYKIBOOJC-UHFFFAOYSA-N 1 0 361.345 2.323 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000152488644 326708779 /nfs/dbraw/zinc/70/87/79/326708779.db2.gz XHDRAWNNWLZMRY-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO CC[NH+](CC)CCSc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000153250570 326728131 /nfs/dbraw/zinc/72/81/31/326728131.db2.gz GDBXMTGVHSTCNQ-UHFFFAOYSA-N 1 0 361.489 2.279 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154175479 326753236 /nfs/dbraw/zinc/75/32/36/326753236.db2.gz GQJKXSPGTKTYOP-UHFFFAOYSA-N 1 0 363.462 2.296 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000158390958 326894442 /nfs/dbraw/zinc/89/44/42/326894442.db2.gz ABVXVANPWWSMDE-KRWDZBQOSA-N 1 0 365.455 2.049 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160606789 326971176 /nfs/dbraw/zinc/97/11/76/326971176.db2.gz NRWIFOYZSUXIPW-RDJZCZTQSA-N 1 0 365.405 2.232 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000163784829 327058648 /nfs/dbraw/zinc/05/86/48/327058648.db2.gz KYAZNSRLPLENGY-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000166380731 327082002 /nfs/dbraw/zinc/08/20/02/327082002.db2.gz FEZZETKBOCKNTB-UHFFFAOYSA-N 1 0 371.441 2.313 20 5 FEBDRO Cc1nn(CCC(=O)NC2CC[NH+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000170668759 327092764 /nfs/dbraw/zinc/09/27/64/327092764.db2.gz MRMXCIWETKDVGS-UHFFFAOYSA-N 1 0 351.451 2.177 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000171123010 327119687 /nfs/dbraw/zinc/11/96/87/327119687.db2.gz NLFMNGIUENLKKZ-UHFFFAOYSA-N 1 0 360.414 2.307 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000171126617 327119753 /nfs/dbraw/zinc/11/97/53/327119753.db2.gz UWKUWINYZDBCHA-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804182 327162335 /nfs/dbraw/zinc/16/23/35/327162335.db2.gz MBIUVJOZXSJTJI-TXEJJXNPSA-N 1 0 351.451 2.367 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000172019602 327176571 /nfs/dbraw/zinc/17/65/71/327176571.db2.gz OFRZKMHUAJANLM-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC[NH+](C)CC1 ZINC000173088281 327234589 /nfs/dbraw/zinc/23/45/89/327234589.db2.gz YUEOSBABRKMKSK-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000173242043 327243581 /nfs/dbraw/zinc/24/35/81/327243581.db2.gz SZJZWHPYXWRDBP-UONOGXRCSA-N 1 0 355.460 2.172 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000173264314 327245138 /nfs/dbraw/zinc/24/51/38/327245138.db2.gz JCGJSLVKYNZFPP-YPMHNXCESA-N 1 0 359.423 2.085 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C(C)C ZINC000173284880 327246741 /nfs/dbraw/zinc/24/67/41/327246741.db2.gz YNCXELQACSXUQI-GOEBONIOSA-N 1 0 374.441 2.315 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000173514565 327262746 /nfs/dbraw/zinc/26/27/46/327262746.db2.gz KPWHIAHNXDGLJV-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000173515178 327263182 /nfs/dbraw/zinc/26/31/82/327263182.db2.gz OHRCDLQSCAGTIT-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000173518300 327263341 /nfs/dbraw/zinc/26/33/41/327263341.db2.gz MEIBTFZFTLIQNN-MRXNPFEDSA-N 1 0 371.441 2.304 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173525007 327263540 /nfs/dbraw/zinc/26/35/40/327263540.db2.gz NWOFYSTWHPXPOL-AWEZNQCLSA-N 1 0 371.441 2.373 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173818578 327286416 /nfs/dbraw/zinc/28/64/16/327286416.db2.gz XJADFVUOMKVAQP-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173830056 327287385 /nfs/dbraw/zinc/28/73/85/327287385.db2.gz DPKORCGBQZHCGC-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174136516 327308113 /nfs/dbraw/zinc/30/81/13/327308113.db2.gz GIHXUZMEWCOMPR-INIZCTEOSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000174724792 327345932 /nfs/dbraw/zinc/34/59/32/327345932.db2.gz CMDJLRAEGLNUEG-UHFFFAOYSA-N 1 0 364.490 2.451 20 5 FEBDRO CN1CCN([C@@H]2CCCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881789 327357468 /nfs/dbraw/zinc/35/74/68/327357468.db2.gz NEDQCMOEKVLFFG-GOSISDBHSA-N 1 0 362.474 2.076 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000176920280 327484856 /nfs/dbraw/zinc/48/48/56/327484856.db2.gz DFFFWQNUOFNGFU-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261608604 328805055 /nfs/dbraw/zinc/80/50/55/328805055.db2.gz ASCPITFRPYVZSZ-GXSJLCMTSA-N 1 0 361.851 2.162 20 5 FEBDRO COCC1(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000261687170 328811752 /nfs/dbraw/zinc/81/17/52/328811752.db2.gz HYIGDPJLVXARTB-ZDUSSCGKSA-N 1 0 367.471 2.208 20 5 FEBDRO [NH3+]C1(c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)CCC1 ZINC000261694842 328812279 /nfs/dbraw/zinc/81/22/79/328812279.db2.gz HUBUEFJXFCHBQE-VIFPVBQESA-N 1 0 363.399 2.355 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000262015527 328835696 /nfs/dbraw/zinc/83/56/96/328835696.db2.gz OLIOWJQEZDBYRI-LJQANCHMSA-N 1 0 371.441 2.267 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264597061 329039074 /nfs/dbraw/zinc/03/90/74/329039074.db2.gz MSSWNAUWQJGBPV-GOSISDBHSA-N 1 0 369.425 2.481 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000265132162 329094530 /nfs/dbraw/zinc/09/45/30/329094530.db2.gz RWMAZLFIIHUXLQ-UHFFFAOYSA-N 1 0 374.441 2.344 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265507121 329134223 /nfs/dbraw/zinc/13/42/23/329134223.db2.gz JOKRNGJLRYDRJF-UHFFFAOYSA-N 1 0 356.810 2.330 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960577 329176849 /nfs/dbraw/zinc/17/68/49/329176849.db2.gz QBXKDJZIQWHGCK-OLZOCXBDSA-N 1 0 365.430 2.462 20 5 FEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000266014309 329181920 /nfs/dbraw/zinc/18/19/20/329181920.db2.gz QMCCYTKBBYQRSC-DLBZAZTESA-N 1 0 350.415 2.355 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266340044 329212958 /nfs/dbraw/zinc/21/29/58/329212958.db2.gz AGVTWAMXNXOSCY-GFCCVEGCSA-N 1 0 351.403 2.026 20 5 FEBDRO CCOc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000266563060 329236437 /nfs/dbraw/zinc/23/64/37/329236437.db2.gz YHTPYFIRSOVRDZ-KRWDZBQOSA-N 1 0 362.430 2.462 20 5 FEBDRO O=C(CN1CCC[C@@H]1CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266729261 329253555 /nfs/dbraw/zinc/25/35/55/329253555.db2.gz KGPALNUFPPBEFQ-CYBMUJFWSA-N 1 0 362.411 2.114 20 5 FEBDRO CC(C)(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000267396209 329322688 /nfs/dbraw/zinc/32/26/88/329322688.db2.gz RHGQXZSPAULQLX-OAHLLOKOSA-N 1 0 361.442 2.053 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269213665 329497078 /nfs/dbraw/zinc/49/70/78/329497078.db2.gz SLNBEUBZINVKLN-MWLCHTKSSA-N 1 0 360.336 2.269 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000269367152 329511950 /nfs/dbraw/zinc/51/19/50/329511950.db2.gz KWQDEJZBRROHDN-UHFFFAOYSA-N 1 0 372.429 2.231 20 5 FEBDRO C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271739668 329720740 /nfs/dbraw/zinc/72/07/40/329720740.db2.gz VZUYXMDNNFNYHE-CQSZACIVSA-N 1 0 362.430 2.162 20 5 FEBDRO Cc1cc(N2CCC(N3CCNC3=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272866775 329819167 /nfs/dbraw/zinc/81/91/67/329819167.db2.gz RVJZWSYMWJHJPY-UHFFFAOYSA-N 1 0 355.398 2.445 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000273064416 329834091 /nfs/dbraw/zinc/83/40/91/329834091.db2.gz NEFIPAZDCJKTMB-MSOLQXFVSA-N 1 0 363.414 2.479 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000273490026 329869074 /nfs/dbraw/zinc/86/90/74/329869074.db2.gz WOCQNTZHLNXKJC-BZUAXINKSA-N 1 0 368.455 2.162 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000274106489 329916063 /nfs/dbraw/zinc/91/60/63/329916063.db2.gz VHWORSBEFLAQHJ-CHWSQXEVSA-N 1 0 351.403 2.409 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000274498795 329955120 /nfs/dbraw/zinc/95/51/20/329955120.db2.gz SFJYUHWJKBOEQS-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000276596595 330168410 /nfs/dbraw/zinc/16/84/10/330168410.db2.gz NSHMPOLZSHPWKV-LBPRGKRZSA-N 1 0 368.865 2.170 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000291405306 330190892 /nfs/dbraw/zinc/19/08/92/330190892.db2.gz WRURYOOJRBYOIG-PBHICJAKSA-N 1 0 374.441 2.038 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000361440312 330203824 /nfs/dbraw/zinc/20/38/24/330203824.db2.gz NPSJFDMMFLQRBG-IBGZPJMESA-N 1 0 368.437 2.313 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000369322339 330239190 /nfs/dbraw/zinc/23/91/90/330239190.db2.gz QTCOQADSQDYBMM-CRFBAAHOSA-N 1 0 372.425 2.282 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369323093 330239242 /nfs/dbraw/zinc/23/92/42/330239242.db2.gz IMTGLCMRSBWUQO-UHFFFAOYSA-N 1 0 357.414 2.207 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000369323844 330239389 /nfs/dbraw/zinc/23/93/89/330239389.db2.gz ZXFWOHKMQJFDCU-RTCCRHLQSA-N 1 0 359.835 2.199 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000555414032 674359998 /nfs/dbraw/zinc/35/99/98/674359998.db2.gz XGSNWFOGCDSBNU-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N(CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000157041479 545693013 /nfs/dbraw/zinc/69/30/13/545693013.db2.gz JMQVTIXRNJWJHA-AWEZNQCLSA-N 1 0 358.398 2.120 20 5 FEBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000158603943 545875446 /nfs/dbraw/zinc/87/54/46/545875446.db2.gz RVMYNKOFFJRQEX-IEBWSBKVSA-N 1 0 369.421 2.208 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000478568659 561169866 /nfs/dbraw/zinc/16/98/66/561169866.db2.gz XKOBTQQEWQWGMW-KBPBESRZSA-N 1 0 372.429 2.168 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160212422 546017591 /nfs/dbraw/zinc/01/75/91/546017591.db2.gz VDWGDFAACFXZON-OAHLLOKOSA-N 1 0 369.487 2.321 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175859927 546362987 /nfs/dbraw/zinc/36/29/87/546362987.db2.gz PJGLATFFRCRKPV-CQSZACIVSA-N 1 0 352.435 2.232 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000177521431 546636579 /nfs/dbraw/zinc/63/65/79/546636579.db2.gz WIJPAQUVMRXDGJ-XJKSGUPXSA-N 1 0 357.414 2.383 20 5 FEBDRO C[C@@H](CCc1ccco1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000235 546720568 /nfs/dbraw/zinc/72/05/68/546720568.db2.gz JHBKQWSNNRFHFT-ZDUSSCGKSA-N 1 0 367.427 2.077 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000178001310 546721067 /nfs/dbraw/zinc/72/10/67/546721067.db2.gz ASDUOOAQRQLQJO-GFCCVEGCSA-N 1 0 353.400 2.125 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)c1 ZINC000178150989 546747335 /nfs/dbraw/zinc/74/73/35/546747335.db2.gz DSVUBFOKMJPARC-INIZCTEOSA-N 1 0 358.398 2.218 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000178404300 546788413 /nfs/dbraw/zinc/78/84/13/546788413.db2.gz OKABGLOSCMXEQZ-DLBZAZTESA-N 1 0 362.430 2.484 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178949530 546878895 /nfs/dbraw/zinc/87/88/95/546878895.db2.gz LOJWINGPBRCECD-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000481829954 561243407 /nfs/dbraw/zinc/24/34/07/561243407.db2.gz MZBLZMMYPFELSH-FUHWJXTLSA-N 1 0 357.385 2.490 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000180006744 547038183 /nfs/dbraw/zinc/03/81/83/547038183.db2.gz ZFYKHPHWNICIJS-UHFFFAOYSA-N 1 0 363.458 2.439 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000180053958 547044671 /nfs/dbraw/zinc/04/46/71/547044671.db2.gz HIYFLBPKLWKOBO-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO O=C(CCN1CC[C@H]([NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181676288 547357574 /nfs/dbraw/zinc/35/75/74/547357574.db2.gz PQHRSNQJNXSOPD-AWEZNQCLSA-N 1 0 350.394 2.233 20 5 FEBDRO Cc1ccc(C[N@H+](CCO)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000181967151 547414757 /nfs/dbraw/zinc/41/47/57/547414757.db2.gz NWWDJFFGQSSILJ-SFHVURJKSA-N 1 0 360.410 2.137 20 5 FEBDRO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000182184846 547449435 /nfs/dbraw/zinc/44/94/35/547449435.db2.gz YMSMJNQBPICSQA-UHFFFAOYSA-N 1 0 356.444 2.258 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183287879 547632799 /nfs/dbraw/zinc/63/27/99/547632799.db2.gz XDLSCHLLBPZGFZ-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000484635727 561301762 /nfs/dbraw/zinc/30/17/62/561301762.db2.gz DXHOAXZHPKKUIL-JKSUJKDBSA-N 1 0 351.403 2.015 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183878258 547733548 /nfs/dbraw/zinc/73/35/48/547733548.db2.gz XJXDTGGHLSGTKT-KBPBESRZSA-N 1 0 363.414 2.397 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000184067953 547764500 /nfs/dbraw/zinc/76/45/00/547764500.db2.gz YMHYYAIXGGMWEJ-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO COc1cc(CN2CCC([N@H+](C)CCCO)CC2)c([N+](=O)[O-])cc1F ZINC000184216586 547788839 /nfs/dbraw/zinc/78/88/39/547788839.db2.gz VUAZDVMJIMHQSB-UHFFFAOYSA-N 1 0 355.410 2.021 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184318888 547807076 /nfs/dbraw/zinc/80/70/76/547807076.db2.gz ATYMXIOGVZBYSW-IYOXOMEYSA-N 1 0 360.458 2.140 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000184379341 547817157 /nfs/dbraw/zinc/81/71/57/547817157.db2.gz AXJBXNZXFRZGRH-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000185227754 547955106 /nfs/dbraw/zinc/95/51/06/547955106.db2.gz PDWYXOYUEFJHDI-DOMZBBRYSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185328110 547970698 /nfs/dbraw/zinc/97/06/98/547970698.db2.gz OHDCABWEBJIMIR-KRWDZBQOSA-N 1 0 371.441 2.127 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000485725317 561326650 /nfs/dbraw/zinc/32/66/50/561326650.db2.gz CNNLSLXTYVCFJC-QGPMSJSTSA-N 1 0 352.431 2.326 20 5 FEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NC1CC[NH+](CC2CC2)CC1 ZINC000485842683 561329568 /nfs/dbraw/zinc/32/95/68/561329568.db2.gz IPMAHFMLJFQTSC-UHFFFAOYSA-N 1 0 353.369 2.406 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186777055 548190009 /nfs/dbraw/zinc/19/00/09/548190009.db2.gz YTKTXTUEWBAOSX-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186941332 548225478 /nfs/dbraw/zinc/22/54/78/548225478.db2.gz XKRYEBJHXWHRMX-CYBMUJFWSA-N 1 0 364.446 2.347 20 5 FEBDRO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193998150 548419122 /nfs/dbraw/zinc/41/91/22/548419122.db2.gz GWVDXIUXONEYJG-INIZCTEOSA-N 1 0 370.409 2.432 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C1CCC2(CC2)CC1 ZINC000486692655 561354511 /nfs/dbraw/zinc/35/45/11/561354511.db2.gz GPKUUGMGAXLFRC-UHFFFAOYSA-N 1 0 353.444 2.186 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876075 561358791 /nfs/dbraw/zinc/35/87/91/561358791.db2.gz BLKBPLFXSIHDLR-GWCFXTLKSA-N 1 0 364.402 2.294 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876078 561358833 /nfs/dbraw/zinc/35/88/33/561358833.db2.gz BLKBPLFXSIHDLR-ZWNOBZJWSA-N 1 0 364.402 2.294 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC2CC[NH+](C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486875439 561358841 /nfs/dbraw/zinc/35/88/41/561358841.db2.gz SHNZLSGQBKKONB-UHFFFAOYSA-N 1 0 364.402 2.153 20 5 FEBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000487088228 561363356 /nfs/dbraw/zinc/36/33/56/561363356.db2.gz QNEQEBYNFFRYBY-OCCSQVGLSA-N 1 0 353.854 2.105 20 5 FEBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC000234348478 548764618 /nfs/dbraw/zinc/76/46/18/548764618.db2.gz VXTAVSVJAUHTFF-NSHDSACASA-N 1 0 357.252 2.323 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000237198253 548807326 /nfs/dbraw/zinc/80/73/26/548807326.db2.gz JZHMMVXCUDAMIU-JTQLQIEISA-N 1 0 373.356 2.276 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000237199124 548807911 /nfs/dbraw/zinc/80/79/11/548807911.db2.gz AJCHNXHFPQRARD-NSHDSACASA-N 1 0 353.444 2.397 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[C@H](C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000237636465 548841718 /nfs/dbraw/zinc/84/17/18/548841718.db2.gz TTXAMWWOHKJCET-MRXNPFEDSA-N 1 0 371.441 2.267 20 5 FEBDRO [NH3+]CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000237905309 548863338 /nfs/dbraw/zinc/86/33/38/548863338.db2.gz KKZDZOMMRGOUNQ-UHFFFAOYSA-N 1 0 360.336 2.001 20 5 FEBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237942432 548866368 /nfs/dbraw/zinc/86/63/68/548866368.db2.gz ICCCRPQVNRGOTL-NSHDSACASA-N 1 0 360.336 2.365 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245660568 548969513 /nfs/dbraw/zinc/96/95/13/548969513.db2.gz PPFGVSPBNZFANO-IAGOWNOFSA-N 1 0 368.393 2.095 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246516298 549151283 /nfs/dbraw/zinc/15/12/83/549151283.db2.gz UKIXOOXWDATOOZ-XJKSGUPXSA-N 1 0 364.446 2.475 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488724850 561395442 /nfs/dbraw/zinc/39/54/42/561395442.db2.gz ZQCOVAQKPRRWNH-GZBFAFLISA-N 1 0 362.430 2.333 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000246960769 549252303 /nfs/dbraw/zinc/25/23/03/549252303.db2.gz BQKKXQNWMJQSKH-GJZGRUSLSA-N 1 0 374.441 2.179 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000248473709 549447539 /nfs/dbraw/zinc/44/75/39/549447539.db2.gz LCWXHGXICRXFQJ-IUODEOHRSA-N 1 0 371.434 2.147 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248603839 549467136 /nfs/dbraw/zinc/46/71/36/549467136.db2.gz JMWNSDODTHDMPC-UONOGXRCSA-N 1 0 361.446 2.299 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248897194 549524376 /nfs/dbraw/zinc/52/43/76/549524376.db2.gz ZZBHHDQGZGKUCE-CHWSQXEVSA-N 1 0 362.430 2.078 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000249113885 549554807 /nfs/dbraw/zinc/55/48/07/549554807.db2.gz AZCKUXSTDJINEG-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249130896 549558004 /nfs/dbraw/zinc/55/80/04/549558004.db2.gz UUWLIFXJTDZYNH-ZFWWWQNUSA-N 1 0 363.414 2.363 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249181783 549565510 /nfs/dbraw/zinc/56/55/10/549565510.db2.gz NILABHXGIIGGQW-DZGCQCFKSA-N 1 0 362.430 2.030 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000252205912 549663146 /nfs/dbraw/zinc/66/31/46/549663146.db2.gz VCKSCLDFEYQHHL-QWHCGFSZSA-N 1 0 363.414 2.232 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000253554028 549695409 /nfs/dbraw/zinc/69/54/09/549695409.db2.gz MERHTPXYRYDQPK-YVEFUNNKSA-N 1 0 370.409 2.405 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1SC ZINC000490095185 561426421 /nfs/dbraw/zinc/42/64/21/561426421.db2.gz YFJSAFVYIISXFC-SNVBAGLBSA-N 1 0 351.428 2.292 20 5 FEBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261708899 549745977 /nfs/dbraw/zinc/74/59/77/549745977.db2.gz KGGWYNAOFGFYAI-JKSUJKDBSA-N 1 0 354.410 2.350 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000490242170 561429512 /nfs/dbraw/zinc/42/95/12/561429512.db2.gz GWCZJAFHPKGNED-MRXNPFEDSA-N 1 0 352.822 2.485 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000262240178 549801647 /nfs/dbraw/zinc/80/16/47/549801647.db2.gz PALKOTCXPKHVNG-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490768306 561438332 /nfs/dbraw/zinc/43/83/32/561438332.db2.gz JPMWHHQVNCWRNQ-UHFFFAOYSA-N 1 0 363.458 2.178 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000269400501 550191035 /nfs/dbraw/zinc/19/10/35/550191035.db2.gz SYVUAPDCHKUYSR-UHFFFAOYSA-N 1 0 372.429 2.231 20 5 FEBDRO Cc1c(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000269618593 550211299 /nfs/dbraw/zinc/21/12/99/550211299.db2.gz DIBQBTMUXWMQBX-CYBMUJFWSA-N 1 0 367.413 2.052 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707305 561457819 /nfs/dbraw/zinc/45/78/19/561457819.db2.gz NERQXIOQJPQNTI-RDJZCZTQSA-N 1 0 351.403 2.073 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000270872175 550316252 /nfs/dbraw/zinc/31/62/52/550316252.db2.gz MVNNPXUTMPLHHL-UHFFFAOYSA-N 1 0 372.425 2.062 20 5 FEBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2 ZINC000271154957 550346049 /nfs/dbraw/zinc/34/60/49/550346049.db2.gz AVHPHCMFGBZABF-ZDUSSCGKSA-N 1 0 364.398 2.387 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000271697247 550395912 /nfs/dbraw/zinc/39/59/12/550395912.db2.gz KERYOIXFIZLPCS-ZDUSSCGKSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000271736935 550398366 /nfs/dbraw/zinc/39/83/66/550398366.db2.gz ZREZVNAFAKLLEL-OAHLLOKOSA-N 1 0 359.382 2.255 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000271846129 550405758 /nfs/dbraw/zinc/40/57/58/550405758.db2.gz QPPXFRZANXTOIS-NSHDSACASA-N 1 0 368.393 2.063 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000272305380 550436307 /nfs/dbraw/zinc/43/63/07/550436307.db2.gz RAMVXZMGEHUFOB-JGVFFNPUSA-N 1 0 360.183 2.306 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272409714 550445281 /nfs/dbraw/zinc/44/52/81/550445281.db2.gz KZDCMXJIMZJQKY-ABAIWWIYSA-N 1 0 373.862 2.271 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272571126 550458625 /nfs/dbraw/zinc/45/86/25/550458625.db2.gz LGOUUQODUJRDGR-ABAIWWIYSA-N 1 0 352.822 2.484 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272591214 550459654 /nfs/dbraw/zinc/45/96/54/550459654.db2.gz WKKNJUSFNTYMQG-UHFFFAOYSA-N 1 0 352.822 2.352 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000272661557 550463831 /nfs/dbraw/zinc/46/38/31/550463831.db2.gz INCOABNBVPKICJ-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494644069 561473037 /nfs/dbraw/zinc/47/30/37/561473037.db2.gz YBNGWIIALDREGZ-AWEZNQCLSA-N 1 0 361.423 2.177 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273647521 550506643 /nfs/dbraw/zinc/50/66/43/550506643.db2.gz VVTLKQRWTUYFCS-KSZLIROESA-N 1 0 366.414 2.428 20 5 FEBDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[nH]4)n3)cn2)CC1 ZINC000273904663 550515261 /nfs/dbraw/zinc/51/52/61/550515261.db2.gz QCAQHHOBISEGLE-UHFFFAOYSA-N 1 0 369.385 2.177 20 5 FEBDRO Cc1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)on1 ZINC000274875514 550561938 /nfs/dbraw/zinc/56/19/38/550561938.db2.gz YFIBODSLJRCYMP-UHFFFAOYSA-N 1 0 356.386 2.480 20 5 FEBDRO CC(C)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276721946 550589169 /nfs/dbraw/zinc/58/91/69/550589169.db2.gz ARAWCQZSZUIJRE-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO COc1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc([N+](=O)[O-])c1C ZINC000276881246 550606639 /nfs/dbraw/zinc/60/66/39/550606639.db2.gz LALKCFJCQUQCQN-MRXNPFEDSA-N 1 0 353.444 2.079 20 5 FEBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068655 550628155 /nfs/dbraw/zinc/62/81/55/550628155.db2.gz DRRCMGKHVPJQFA-IUODEOHRSA-N 1 0 358.485 2.488 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000277109542 550632986 /nfs/dbraw/zinc/63/29/86/550632986.db2.gz XIENRWDPEJHUDG-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000277261985 550649091 /nfs/dbraw/zinc/64/90/91/550649091.db2.gz LLJQCIISBOXBBR-AWEZNQCLSA-N 1 0 372.429 2.040 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277581325 550687216 /nfs/dbraw/zinc/68/72/16/550687216.db2.gz UCNFJJTUPVGLTC-CYBMUJFWSA-N 1 0 366.418 2.226 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494892393 561478516 /nfs/dbraw/zinc/47/85/16/561478516.db2.gz MBFLMDAMQSLMBB-ZWNOBZJWSA-N 1 0 373.331 2.360 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1OC ZINC000277630183 550694289 /nfs/dbraw/zinc/69/42/89/550694289.db2.gz XCOAFOSQGIGHNV-AWEZNQCLSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278045234 550742613 /nfs/dbraw/zinc/74/26/13/550742613.db2.gz LKOWUSIJLRLCJW-HIFRSBDPSA-N 1 0 370.409 2.336 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000278549484 550797959 /nfs/dbraw/zinc/79/79/59/550797959.db2.gz OMFKZAPFMNYHFL-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278738815 550816570 /nfs/dbraw/zinc/81/65/70/550816570.db2.gz REDJVKMDNJCQGI-LBPRGKRZSA-N 1 0 374.445 2.343 20 5 FEBDRO CC(C)(CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCC1 ZINC000278852806 550829278 /nfs/dbraw/zinc/82/92/78/550829278.db2.gz LESPLWIQVDHTNG-UHFFFAOYSA-N 1 0 374.445 2.392 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000279114175 550855606 /nfs/dbraw/zinc/85/56/06/550855606.db2.gz CIRYARJUFASZBJ-UHFFFAOYSA-N 1 0 350.394 2.157 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000279717097 550920874 /nfs/dbraw/zinc/92/08/74/550920874.db2.gz UDCKDJKOJZVCLC-ZFWWWQNUSA-N 1 0 352.456 2.473 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281156226 551069057 /nfs/dbraw/zinc/06/90/57/551069057.db2.gz LAAFJTAUAIFJTM-BETUJISGSA-N 1 0 366.418 2.078 20 5 FEBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000281324441 551084895 /nfs/dbraw/zinc/08/48/95/551084895.db2.gz VIXVMDPMLDGEBW-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCS(C)(=O)=O ZINC000281854855 551148804 /nfs/dbraw/zinc/14/88/04/551148804.db2.gz ACTFHFCORHYWDX-UHFFFAOYSA-N 1 0 371.459 2.069 20 5 FEBDRO COCCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000281869195 551150823 /nfs/dbraw/zinc/15/08/23/551150823.db2.gz CLHYZKZADASQQH-UHFFFAOYSA-N 1 0 370.413 2.128 20 5 FEBDRO CS(=O)(=O)c1cccc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000497534104 561503365 /nfs/dbraw/zinc/50/33/65/561503365.db2.gz OYDSDPGPSOATBD-UHFFFAOYSA-N 1 0 353.444 2.285 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282752707 551266661 /nfs/dbraw/zinc/26/66/61/551266661.db2.gz BIAMYBLECZVHPO-GFCCVEGCSA-N 1 0 351.794 2.312 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000284994543 551685739 /nfs/dbraw/zinc/68/57/39/551685739.db2.gz YLJNSZCATOBORE-WBHUJUFNSA-N 1 0 357.414 2.341 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285159331 551712971 /nfs/dbraw/zinc/71/29/71/551712971.db2.gz AJUKJNUPRVIDDN-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285192553 551718716 /nfs/dbraw/zinc/71/87/16/551718716.db2.gz NTAWYLZKNGPAQF-LLVKDONJSA-N 1 0 364.427 2.399 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nncn1C ZINC000285227472 551723450 /nfs/dbraw/zinc/72/34/50/551723450.db2.gz AVTYANAMUYRSIS-OAHLLOKOSA-N 1 0 364.381 2.178 20 5 FEBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417456 551752955 /nfs/dbraw/zinc/75/29/55/551752955.db2.gz BRNMXFJRMWULDT-HRCADAONSA-N 1 0 352.431 2.350 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000285762053 551806970 /nfs/dbraw/zinc/80/69/70/551806970.db2.gz ISKFPTXYSLKBSW-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000285860942 551819906 /nfs/dbraw/zinc/81/99/06/551819906.db2.gz PRVNSDJKDBCAOX-UPEZTMAHSA-N 1 0 359.426 2.320 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286102650 551849090 /nfs/dbraw/zinc/84/90/90/551849090.db2.gz NRTOSDLLERMDII-ZDMBXUJBSA-N 1 0 356.220 2.474 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000286156169 551855230 /nfs/dbraw/zinc/85/52/30/551855230.db2.gz QCQNCLZSIFTXMW-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000287023502 551953028 /nfs/dbraw/zinc/95/30/28/551953028.db2.gz ROOAFXGBRKWBOD-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066357 551959175 /nfs/dbraw/zinc/95/91/75/551959175.db2.gz JXPXVTRBGIMJKY-SWLSCSKDSA-N 1 0 364.421 2.499 20 5 FEBDRO COc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000287239318 551980089 /nfs/dbraw/zinc/98/00/89/551980089.db2.gz RBISREJVMZMRHL-ZFWWWQNUSA-N 1 0 363.414 2.067 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000288304593 552129192 /nfs/dbraw/zinc/12/91/92/552129192.db2.gz CGKCCGDAOOGKBI-CQSZACIVSA-N 1 0 373.461 2.137 20 5 FEBDRO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500004170 561563872 /nfs/dbraw/zinc/56/38/72/561563872.db2.gz KIPWJYLTJBSQTA-WBVHZDCISA-N 1 0 371.441 2.475 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC000289377690 552310894 /nfs/dbraw/zinc/31/08/94/552310894.db2.gz BICRQUZIQALIJG-XIRDDKMYSA-N 1 0 350.415 2.224 20 5 FEBDRO COc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000289548661 552338618 /nfs/dbraw/zinc/33/86/18/552338618.db2.gz XKIPPRVVRFWMNN-UHFFFAOYSA-N 1 0 362.474 2.063 20 5 FEBDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500479192 561574541 /nfs/dbraw/zinc/57/45/41/561574541.db2.gz NOCWDJLCKQKUKS-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289771077 552375992 /nfs/dbraw/zinc/37/59/92/552375992.db2.gz GLBLNMGPVFLCPY-LSDHHAIUSA-N 1 0 366.805 2.131 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290152982 552435528 /nfs/dbraw/zinc/43/55/28/552435528.db2.gz NIOKYEBWGXBYLO-HOTGVXAUSA-N 1 0 361.445 2.223 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000290704335 552522707 /nfs/dbraw/zinc/52/27/07/552522707.db2.gz GGZXSKUJPBFPGL-UHFFFAOYSA-N 1 0 362.430 2.085 20 5 FEBDRO COc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c([N+](=O)[O-])cc1OC ZINC000290992162 552573596 /nfs/dbraw/zinc/57/35/96/552573596.db2.gz ANHBPMPCWXUXAV-UHFFFAOYSA-N 1 0 373.365 2.346 20 5 FEBDRO CC[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291013068 552575962 /nfs/dbraw/zinc/57/59/62/552575962.db2.gz WNQJXLPSDMDSLV-OAHLLOKOSA-N 1 0 369.425 2.190 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602055 552642010 /nfs/dbraw/zinc/64/20/10/552642010.db2.gz BWWJPDBTLDVYLW-VXGBXAGGSA-N 1 0 357.357 2.180 20 5 FEBDRO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292302089 552713611 /nfs/dbraw/zinc/71/36/11/552713611.db2.gz DFXPKYKJXBCXFA-RHSMWYFYSA-N 1 0 374.441 2.179 20 5 FEBDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCC1 ZINC000293032124 552782265 /nfs/dbraw/zinc/78/22/65/552782265.db2.gz LJFNKHYKHSNFGQ-GOSISDBHSA-N 1 0 361.442 2.261 20 5 FEBDRO CC(C)[C@]1(CO)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162437 552794639 /nfs/dbraw/zinc/79/46/39/552794639.db2.gz UYEWGBAHZIGBHM-FUHWJXTLSA-N 1 0 352.431 2.065 20 5 FEBDRO Cc1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ncn1 ZINC000293246685 552802884 /nfs/dbraw/zinc/80/28/84/552802884.db2.gz RIHKPWCTHXAXMF-UHFFFAOYSA-N 1 0 367.413 2.282 20 5 FEBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000293790576 552856788 /nfs/dbraw/zinc/85/67/88/552856788.db2.gz WTVJZLURTMFPIS-ZDUSSCGKSA-N 1 0 365.405 2.446 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000293950919 552870353 /nfs/dbraw/zinc/87/03/53/552870353.db2.gz RYJCPROZRUCTCJ-UONOGXRCSA-N 1 0 353.806 2.183 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000294044269 552877775 /nfs/dbraw/zinc/87/77/75/552877775.db2.gz KYEQIHGJEKRBMM-UHFFFAOYSA-N 1 0 360.418 2.184 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294762283 552932298 /nfs/dbraw/zinc/93/22/98/552932298.db2.gz YGLOCBUFDKFUGQ-GFCCVEGCSA-N 1 0 351.378 2.443 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+](C2CC2)C1 ZINC000295367258 552994875 /nfs/dbraw/zinc/99/48/75/552994875.db2.gz ONOPFUBMLMNXRQ-GFCCVEGCSA-N 1 0 364.421 2.356 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295461564 553010651 /nfs/dbraw/zinc/01/06/51/553010651.db2.gz FNSXFEOHZYEVHI-UONOGXRCSA-N 1 0 355.394 2.384 20 5 FEBDRO CS(=O)(=O)c1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000295904712 553074006 /nfs/dbraw/zinc/07/40/06/553074006.db2.gz FIDYHBJGLYQVJT-UHFFFAOYSA-N 1 0 353.444 2.427 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@](C)(COC)C2)c([N+](=O)[O-])c1 ZINC000296523255 553173428 /nfs/dbraw/zinc/17/34/28/553173428.db2.gz ALINPBMXHFMQKC-KRWDZBQOSA-N 1 0 351.403 2.290 20 5 FEBDRO CN(CCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000296602814 553186078 /nfs/dbraw/zinc/18/60/78/553186078.db2.gz RMVMTDHUBDKTTH-UHFFFAOYSA-N 1 0 367.402 2.418 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000502851411 561627768 /nfs/dbraw/zinc/62/77/68/561627768.db2.gz LPMNJVUAXGVNAQ-TZMCWYRMSA-N 1 0 351.403 2.073 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000297513279 553302666 /nfs/dbraw/zinc/30/26/66/553302666.db2.gz UXETXDNQPPVSEH-UHFFFAOYSA-N 1 0 366.809 2.328 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000297830835 553344544 /nfs/dbraw/zinc/34/45/44/553344544.db2.gz JXAATGAHLMGFMK-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000297837475 553345223 /nfs/dbraw/zinc/34/52/23/553345223.db2.gz KHQCBXRTXXAKFB-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000297988869 553367396 /nfs/dbraw/zinc/36/73/96/553367396.db2.gz AGEVCZIDASZSGL-MRXNPFEDSA-N 1 0 363.414 2.311 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000298104482 553384373 /nfs/dbraw/zinc/38/43/73/553384373.db2.gz LRHDIIYJSQYSDR-MRXNPFEDSA-N 1 0 364.446 2.324 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000298284027 553407689 /nfs/dbraw/zinc/40/76/89/553407689.db2.gz XGAAAEBKFKDMCB-ZDUSSCGKSA-N 1 0 351.403 2.169 20 5 FEBDRO CN(C)C(=O)C1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000298522547 553435661 /nfs/dbraw/zinc/43/56/61/553435661.db2.gz VWIMAOCLPBWXDO-UHFFFAOYSA-N 1 0 362.430 2.304 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000298981862 553498716 /nfs/dbraw/zinc/49/87/16/553498716.db2.gz HLXYHVPFYFBCHK-CABCVRRESA-N 1 0 355.398 2.137 20 5 FEBDRO COC(=O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000299222201 553532677 /nfs/dbraw/zinc/53/26/77/553532677.db2.gz IQMLYXGVUJRVGI-UHFFFAOYSA-N 1 0 367.402 2.206 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000299402479 553558584 /nfs/dbraw/zinc/55/85/84/553558584.db2.gz VBBOMLDWYYWCEG-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO Nc1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000299416341 553560493 /nfs/dbraw/zinc/56/04/93/553560493.db2.gz MEDAIXNVJCBYQD-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])c1 ZINC000299474620 553568528 /nfs/dbraw/zinc/56/85/28/553568528.db2.gz YWFALQZRCJVOAD-AWEZNQCLSA-N 1 0 363.370 2.238 20 5 FEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000299515640 553574161 /nfs/dbraw/zinc/57/41/61/553574161.db2.gz HPEZSRKTXXWCBY-UHFFFAOYSA-N 1 0 357.414 2.063 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000504574514 561659900 /nfs/dbraw/zinc/65/99/00/561659900.db2.gz FIEKEFNSNYVHAZ-BMFZPTHFSA-N 1 0 369.487 2.223 20 5 FEBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000504414015 561657820 /nfs/dbraw/zinc/65/78/20/561657820.db2.gz AXDFATFPLPENQH-CQSZACIVSA-N 1 0 363.458 2.176 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301068883 553619090 /nfs/dbraw/zinc/61/90/90/553619090.db2.gz GPDZJLUICUHGQS-UHFFFAOYSA-N 1 0 354.410 2.277 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301444605 553652211 /nfs/dbraw/zinc/65/22/11/553652211.db2.gz VEXYYXPCXGUPCG-HIFRSBDPSA-N 1 0 371.441 2.478 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000301730910 553675586 /nfs/dbraw/zinc/67/55/86/553675586.db2.gz XLSBJZFHYNUYKJ-JSGCOSHPSA-N 1 0 364.402 2.224 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840042 553684418 /nfs/dbraw/zinc/68/44/18/553684418.db2.gz ADNKTMMFELIWFK-ZIAGYGMSSA-N 1 0 373.438 2.351 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301913381 553691311 /nfs/dbraw/zinc/69/13/11/553691311.db2.gz CMPYCXYSLPFFTM-KRWDZBQOSA-N 1 0 369.425 2.062 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301970342 553695040 /nfs/dbraw/zinc/69/50/40/553695040.db2.gz RHYLMJZLEDZGNK-QGZVFWFLSA-N 1 0 369.425 2.062 20 5 FEBDRO C[NH+](C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000302022327 553698813 /nfs/dbraw/zinc/69/88/13/553698813.db2.gz ITGPVLFSILAQSC-CQSZACIVSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437109 553716788 /nfs/dbraw/zinc/71/67/88/553716788.db2.gz MMABKGSWFIOKBT-CABCVRRESA-N 1 0 371.441 2.252 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302602302 553723176 /nfs/dbraw/zinc/72/31/76/553723176.db2.gz CKFLDVQUIQTAQZ-CYBMUJFWSA-N 1 0 355.460 2.309 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000319852374 553764282 /nfs/dbraw/zinc/76/42/82/553764282.db2.gz PVNWBVVREQKJBL-LLVKDONJSA-N 1 0 359.835 2.201 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000326606720 553782074 /nfs/dbraw/zinc/78/20/74/553782074.db2.gz IEXFGFLNTMHUMP-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO C[NH+](C)CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000505683850 561677343 /nfs/dbraw/zinc/67/73/43/561677343.db2.gz YZMYHBFGPQLFMO-UHFFFAOYSA-N 1 0 358.398 2.074 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000327750197 553791050 /nfs/dbraw/zinc/79/10/50/553791050.db2.gz MFYOMIFBXDVYDZ-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO Cn1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388694 561727720 /nfs/dbraw/zinc/72/77/20/561727720.db2.gz LKMVEYZVWRDQRO-GOEBONIOSA-N 1 0 369.425 2.352 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000507375331 561727073 /nfs/dbraw/zinc/72/70/73/561727073.db2.gz BEHBIXJCQZXWHT-CQSZACIVSA-N 1 0 350.419 2.135 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000507493208 561730916 /nfs/dbraw/zinc/73/09/16/561730916.db2.gz HBMHOKFQUURJCC-GJZGRUSLSA-N 1 0 367.471 2.432 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331052508 554206933 /nfs/dbraw/zinc/20/69/33/554206933.db2.gz YUUIYIQXNCPLGI-LBPRGKRZSA-N 1 0 361.851 2.399 20 5 FEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508765099 561772116 /nfs/dbraw/zinc/77/21/16/561772116.db2.gz RBBBQMJRMIOCAQ-UHFFFAOYSA-N 1 0 356.430 2.455 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331832361 554327063 /nfs/dbraw/zinc/32/70/63/554327063.db2.gz ACTJISHCCKLUGZ-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000331855536 554331716 /nfs/dbraw/zinc/33/17/16/554331716.db2.gz DPMSHPIURBFISL-ZBFHGGJFSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070976 554373727 /nfs/dbraw/zinc/37/37/27/554373727.db2.gz WNVMIEFRABIILV-IPYPFGDCSA-N 1 0 363.414 2.374 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572363 554474259 /nfs/dbraw/zinc/47/42/59/554474259.db2.gz DTNWCQWBJCPCIM-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000511331478 561865658 /nfs/dbraw/zinc/86/56/58/561865658.db2.gz DVWKLNATYHVWHG-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511491548 561870907 /nfs/dbraw/zinc/87/09/07/561870907.db2.gz GOKFKUQLECLAIK-NKHHLTQSSA-N 1 0 361.442 2.471 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000361278178 554914125 /nfs/dbraw/zinc/91/41/25/554914125.db2.gz JNXCSIVTKRPNLH-YDYLGUNISA-N 1 0 359.426 2.318 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000361278179 554914144 /nfs/dbraw/zinc/91/41/44/554914144.db2.gz JNXCSIVTKRPNLH-ZWQINLGBSA-N 1 0 359.426 2.318 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000361491484 554921976 /nfs/dbraw/zinc/92/19/76/554921976.db2.gz VIDLZFORMYNILK-NVXWUHKLSA-N 1 0 371.441 2.160 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831568 554936958 /nfs/dbraw/zinc/93/69/58/554936958.db2.gz VAXSTZVEDMQZBR-CJNGLKHVSA-N 1 0 369.425 2.411 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362396980 554969235 /nfs/dbraw/zinc/96/92/35/554969235.db2.gz QEYTZZJMICZCNU-ZIAGYGMSSA-N 1 0 365.455 2.300 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363174614 555045737 /nfs/dbraw/zinc/04/57/37/555045737.db2.gz CBQQIZJMMBTXOC-QGZVFWFLSA-N 1 0 369.425 2.481 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000363196270 555050946 /nfs/dbraw/zinc/05/09/46/555050946.db2.gz NVVYBOKOAMOEJI-OAHLLOKOSA-N 1 0 374.441 2.447 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2cccnc2)C2CCCCC2)c1 ZINC000363426004 555102703 /nfs/dbraw/zinc/10/27/03/555102703.db2.gz ALIYMKFGOQEBOT-MSOLQXFVSA-N 1 0 359.430 2.458 20 5 FEBDRO CC(=O)c1ccc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000363919857 555213881 /nfs/dbraw/zinc/21/38/81/555213881.db2.gz KGJSGXIIAOGVTP-KRWDZBQOSA-N 1 0 360.458 2.402 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000363922572 555214991 /nfs/dbraw/zinc/21/49/91/555214991.db2.gz QURUXDGZIMLEHR-OAHLLOKOSA-N 1 0 363.418 2.108 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000364067518 555243727 /nfs/dbraw/zinc/24/37/27/555243727.db2.gz HDGQAKYKLNKZKE-UHFFFAOYSA-N 1 0 372.425 2.062 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364195278 555267433 /nfs/dbraw/zinc/26/74/33/555267433.db2.gz MBKJHXVUZPPRHY-CABCVRRESA-N 1 0 358.373 2.099 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000364221273 555273297 /nfs/dbraw/zinc/27/32/97/555273297.db2.gz NNXDEMBCDGQNDC-OAHLLOKOSA-N 1 0 371.441 2.317 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322091 555290678 /nfs/dbraw/zinc/29/06/78/555290678.db2.gz DMDYZVXFFHDKCE-UONOGXRCSA-N 1 0 352.387 2.016 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000364644359 555361061 /nfs/dbraw/zinc/36/10/61/555361061.db2.gz GSONRGWHGRWRCS-UHFFFAOYSA-N 1 0 373.251 2.035 20 5 FEBDRO CCc1nc(CN2C[C@@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000365033604 555469508 /nfs/dbraw/zinc/46/95/08/555469508.db2.gz AJFWJWKAVBJQTA-OKILXGFUSA-N 1 0 357.414 2.417 20 5 FEBDRO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365820615 555675411 /nfs/dbraw/zinc/67/54/11/555675411.db2.gz NZCLPFHSCYUARG-CQSZACIVSA-N 1 0 351.451 2.321 20 5 FEBDRO Nc1nccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366011341 555727072 /nfs/dbraw/zinc/72/70/72/555727072.db2.gz UAOXXTFOBPTBGM-ZDUSSCGKSA-N 1 0 370.413 2.175 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000366094327 555749361 /nfs/dbraw/zinc/74/93/61/555749361.db2.gz JBXDHXRVJFCWCV-MRXNPFEDSA-N 1 0 351.472 2.487 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000366094326 555749422 /nfs/dbraw/zinc/74/94/22/555749422.db2.gz JBXDHXRVJFCWCV-INIZCTEOSA-N 1 0 351.472 2.487 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678733 561946660 /nfs/dbraw/zinc/94/66/60/561946660.db2.gz RPHXZTLOATWTNR-BVGQSLNGSA-N 1 0 355.442 2.490 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000366495584 555860067 /nfs/dbraw/zinc/86/00/67/555860067.db2.gz XJEQDKKTIUSWKV-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000366609838 555889358 /nfs/dbraw/zinc/88/93/58/555889358.db2.gz QIZRYNOUAMKDAT-GOSISDBHSA-N 1 0 362.474 2.205 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514172226 561962343 /nfs/dbraw/zinc/96/23/43/561962343.db2.gz MXPNCCYGGYAKDP-LBPRGKRZSA-N 1 0 360.336 2.365 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000366806575 555938945 /nfs/dbraw/zinc/93/89/45/555938945.db2.gz WTWMRCDDXGCMDW-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366961172 555983213 /nfs/dbraw/zinc/98/32/13/555983213.db2.gz IUOGTQPLNMXNEX-AAEUAGOBSA-N 1 0 364.402 2.490 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292869 556009708 /nfs/dbraw/zinc/00/97/08/556009708.db2.gz WEZAWJVQAMKJIN-INIZCTEOSA-N 1 0 350.438 2.193 20 5 FEBDRO COCCC[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367420973 556044080 /nfs/dbraw/zinc/04/40/80/556044080.db2.gz WXKDAYZNXWLIJM-UHFFFAOYSA-N 1 0 351.432 2.148 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367477351 556061544 /nfs/dbraw/zinc/06/15/44/556061544.db2.gz ZNEOJOAGWZDFSU-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830703 556149214 /nfs/dbraw/zinc/14/92/14/556149214.db2.gz IHWDFFPQHLRFEN-WBVHZDCISA-N 1 0 363.458 2.283 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000367917564 556171857 /nfs/dbraw/zinc/17/18/57/556171857.db2.gz MTLMBJHQLXWYOP-LSDHHAIUSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954898 556181526 /nfs/dbraw/zinc/18/15/26/556181526.db2.gz FIXZHJUKMSZLIY-IAGOWNOFSA-N 1 0 350.415 2.403 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000368318570 556277010 /nfs/dbraw/zinc/27/70/10/556277010.db2.gz MYHTWLFSBLDQRW-JRJUITNWSA-N 1 0 372.469 2.237 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368371269 556290221 /nfs/dbraw/zinc/29/02/21/556290221.db2.gz UVRMNHGMHAWZPU-RISCZKNCSA-N 1 0 368.231 2.110 20 5 FEBDRO C[N@@H+]1CCCC12CCN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000368611123 556361619 /nfs/dbraw/zinc/36/16/19/556361619.db2.gz HBDUBNCUEBWAGC-KRWDZBQOSA-N 1 0 358.442 2.260 20 5 FEBDRO COc1cc(CN2CCC[N@H+](CC(C)(C)O)CC2)c([N+](=O)[O-])cc1F ZINC000368809073 556418937 /nfs/dbraw/zinc/41/89/37/556418937.db2.gz GABJIDAKPHKEAJ-UHFFFAOYSA-N 1 0 355.410 2.021 20 5 FEBDRO CCOc1cccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000368871301 556434385 /nfs/dbraw/zinc/43/43/85/556434385.db2.gz XQNJJQISAWPGAR-CVEARBPZSA-N 1 0 362.474 2.456 20 5 FEBDRO CO[C@@](C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638170 562017900 /nfs/dbraw/zinc/01/79/00/562017900.db2.gz UXUONZORHFDNLR-LPHOPBHVSA-N 1 0 360.410 2.486 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000368967023 556461869 /nfs/dbraw/zinc/46/18/69/556461869.db2.gz UFONDWKTESNPCT-GFCCVEGCSA-N 1 0 372.263 2.246 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1 ZINC000369077231 556498755 /nfs/dbraw/zinc/49/87/55/556498755.db2.gz MGIFOLVIOKSKJQ-DZGCQCFKSA-N 1 0 373.862 2.449 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000369155378 556519669 /nfs/dbraw/zinc/51/96/69/556519669.db2.gz KUEIINPOYKRFMO-UHFFFAOYSA-N 1 0 366.487 2.289 20 5 FEBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000369510527 556615458 /nfs/dbraw/zinc/61/54/58/556615458.db2.gz GLYWJNWYCHYYDU-MRXNPFEDSA-N 1 0 369.425 2.474 20 5 FEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000369537979 556624606 /nfs/dbraw/zinc/62/46/06/556624606.db2.gz WSXGFIHJOPTBEB-UHFFFAOYSA-N 1 0 374.441 2.384 20 5 FEBDRO Cn1cc(C[C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370013396 556757786 /nfs/dbraw/zinc/75/77/86/556757786.db2.gz VWYKGHVWVLAOAM-AWEZNQCLSA-N 1 0 357.414 2.222 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@H]2CCCC[C@@H]2O)c1 ZINC000516570672 562048583 /nfs/dbraw/zinc/04/85/83/562048583.db2.gz WIOPMXOIKZTTCE-KYJSFNMBSA-N 1 0 352.431 2.255 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1F ZINC000370231423 556817207 /nfs/dbraw/zinc/81/72/07/556817207.db2.gz DDJZXJDAFRBLDF-JSGCOSHPSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370421095 556867836 /nfs/dbraw/zinc/86/78/36/556867836.db2.gz CMSPYQXXKUHSJJ-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370505779 556893547 /nfs/dbraw/zinc/89/35/47/556893547.db2.gz YLKFUMHUQRJAPB-MRXNPFEDSA-N 1 0 355.394 2.493 20 5 FEBDRO O=C1CO[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]2N1 ZINC000370712544 556946405 /nfs/dbraw/zinc/94/64/05/556946405.db2.gz WHFMSXOHRCAARG-HOTGVXAUSA-N 1 0 373.434 2.413 20 5 FEBDRO O=C(CN1CCCN(c2cncc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000370793162 556970187 /nfs/dbraw/zinc/97/01/87/556970187.db2.gz IUZMJGWOBLZMBJ-UHFFFAOYSA-N 1 0 373.388 2.280 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915699 557014584 /nfs/dbraw/zinc/01/45/84/557014584.db2.gz DCFXDMZCGSLTNN-KBXCAEBGSA-N 1 0 371.441 2.450 20 5 FEBDRO [NH3+]C1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 ZINC000517133948 562076972 /nfs/dbraw/zinc/07/69/72/562076972.db2.gz PDHZNAJUKMOQPO-UHFFFAOYSA-N 1 0 372.347 2.144 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000517236505 562081854 /nfs/dbraw/zinc/08/18/54/562081854.db2.gz YQCONKAKQUOWMW-DOTOQJQBSA-N 1 0 352.431 2.113 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371243888 557117729 /nfs/dbraw/zinc/11/77/29/557117729.db2.gz LRKDOTRMCFOFOU-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000371307044 557139436 /nfs/dbraw/zinc/13/94/36/557139436.db2.gz ADAMUSFZVQJFJM-IBGZPJMESA-N 1 0 369.425 2.446 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000371545800 557217255 /nfs/dbraw/zinc/21/72/55/557217255.db2.gz JVWBQWKSTNFZFM-UHFFFAOYSA-N 1 0 365.405 2.308 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371692401 557265237 /nfs/dbraw/zinc/26/52/37/557265237.db2.gz IZSJZEULPMYQLX-SJORKVTESA-N 1 0 363.458 2.285 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000371784278 557292549 /nfs/dbraw/zinc/29/25/49/557292549.db2.gz RCMDLJPMYGPWPK-CYBMUJFWSA-N 1 0 353.394 2.018 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372907053 557585749 /nfs/dbraw/zinc/58/57/49/557585749.db2.gz PADJROPFSCMWLM-NOZJJQNGSA-N 1 0 354.204 2.181 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000519650497 562138691 /nfs/dbraw/zinc/13/86/91/562138691.db2.gz JFBIDFFAHTZVLK-OBJOEFQTSA-N 1 0 355.460 2.151 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000372842254 557573434 /nfs/dbraw/zinc/57/34/34/557573434.db2.gz VWDNCDNHTGEVRW-MEDUHNTESA-N 1 0 358.427 2.804 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000372927477 557590144 /nfs/dbraw/zinc/59/01/44/557590144.db2.gz LABLWKLHVZLQQU-UHFFFAOYSA-N 1 0 357.414 2.338 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373065600 557620023 /nfs/dbraw/zinc/62/00/23/557620023.db2.gz IWJCOZDQEOBZQS-RNCFNFMXSA-N 1 0 354.204 2.181 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)c1[N+](=O)[O-] ZINC000373068687 557620690 /nfs/dbraw/zinc/62/06/90/557620690.db2.gz GNGXEPGFZMUPCP-UHFFFAOYSA-N 1 0 374.401 2.001 20 5 FEBDRO O=C(CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1 ZINC000373088832 557625763 /nfs/dbraw/zinc/62/57/63/557625763.db2.gz RXOBUBVWQLEWOA-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373092845 557626638 /nfs/dbraw/zinc/62/66/38/557626638.db2.gz OXLAFLQOQCPWHW-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000373139362 557636753 /nfs/dbraw/zinc/63/67/53/557636753.db2.gz NKTLYIYBCQGMPV-UHFFFAOYSA-N 1 0 362.386 2.336 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000373150291 557638858 /nfs/dbraw/zinc/63/88/58/557638858.db2.gz DSLNZSVFNVNNOV-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO CCS(=O)(=O)CCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373282137 557664490 /nfs/dbraw/zinc/66/44/90/557664490.db2.gz AVTIOEICNYMKHG-UHFFFAOYSA-N 1 0 358.464 2.033 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373294007 557667307 /nfs/dbraw/zinc/66/73/07/557667307.db2.gz WLGLDVJYDFDDFC-AATRIKPKSA-N 1 0 355.398 2.710 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c(C)cc1[N+](=O)[O-] ZINC000520202738 562150474 /nfs/dbraw/zinc/15/04/74/562150474.db2.gz KGNXEAOGLCCCTM-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373359151 557678939 /nfs/dbraw/zinc/67/89/39/557678939.db2.gz NFAOONCARCDRLM-AWEZNQCLSA-N 1 0 366.466 2.114 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1c(Cl)cccc1[N+](=O)[O-])C2=O ZINC000520576671 562159360 /nfs/dbraw/zinc/15/93/60/562159360.db2.gz OUJMDKVWWCLCRD-QFYYESIMSA-N 1 0 366.805 2.188 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000373929553 557789318 /nfs/dbraw/zinc/78/93/18/557789318.db2.gz PYWNVVFATZYKSN-UHFFFAOYSA-N 1 0 373.388 2.304 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520754189 562162818 /nfs/dbraw/zinc/16/28/18/562162818.db2.gz KDSJUEHJHFGSDX-UHFFFAOYSA-N 1 0 364.446 2.283 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000520798213 562163915 /nfs/dbraw/zinc/16/39/15/562163915.db2.gz QTEFZVCFVDAJPC-HOCLYGCPSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1C ZINC000374298346 557861072 /nfs/dbraw/zinc/86/10/72/557861072.db2.gz WAQXRLUWRJQCDU-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000374359701 557871479 /nfs/dbraw/zinc/87/14/79/557871479.db2.gz ONBPRQBWUJEICE-AWEZNQCLSA-N 1 0 363.414 2.290 20 5 FEBDRO O=C(NCC1CCOCC1)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000374392304 557877898 /nfs/dbraw/zinc/87/78/98/557877898.db2.gz SHFYILOSFQWWBT-SFHVURJKSA-N 1 0 361.442 2.145 20 5 FEBDRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000374434090 557883458 /nfs/dbraw/zinc/88/34/58/557883458.db2.gz DTWRBRWRMMRHCC-ZDUSSCGKSA-N 1 0 364.427 2.264 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374555454 557899180 /nfs/dbraw/zinc/89/91/80/557899180.db2.gz DEHVMWOPAKFYDO-FQEVSTJZSA-N 1 0 369.421 2.220 20 5 FEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)cc2C1 ZINC000521214539 562171866 /nfs/dbraw/zinc/17/18/66/562171866.db2.gz DSFQJAPKMCWUJV-AWEZNQCLSA-N 1 0 367.409 2.396 20 5 FEBDRO Cc1nc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c2n1CCCC2 ZINC000375014258 557964002 /nfs/dbraw/zinc/96/40/02/557964002.db2.gz ARNVULDFGYOODA-UHFFFAOYSA-N 1 0 357.414 2.478 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375035237 557967985 /nfs/dbraw/zinc/96/79/85/557967985.db2.gz BXPFKNRFCHMNCB-NHYWBVRUSA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000375494727 558037171 /nfs/dbraw/zinc/03/71/71/558037171.db2.gz LSMZXCLCULXJBD-AWEZNQCLSA-N 1 0 363.458 2.421 20 5 FEBDRO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C1CC1 ZINC000375759049 558078498 /nfs/dbraw/zinc/07/84/98/558078498.db2.gz PWYQURONCWOSDT-CVEARBPZSA-N 1 0 361.398 2.054 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817766 558084509 /nfs/dbraw/zinc/08/45/09/558084509.db2.gz GFRNADQZBZXJJL-YOEHRIQHSA-N 1 0 369.425 2.479 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCOCC2(CCC2)C1 ZINC000376307619 558155606 /nfs/dbraw/zinc/15/56/06/558155606.db2.gz YHYWPESRFNVRQF-UHFFFAOYSA-N 1 0 356.382 2.423 20 5 FEBDRO Cc1cc([C@@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000376489689 558179775 /nfs/dbraw/zinc/17/97/75/558179775.db2.gz DRWGNKOISNZJFG-OAHLLOKOSA-N 1 0 369.425 2.395 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000376767066 558219255 /nfs/dbraw/zinc/21/92/55/558219255.db2.gz GPIZIODVMDSIRC-XJKSGUPXSA-N 1 0 365.386 2.160 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000376802357 558223437 /nfs/dbraw/zinc/22/34/37/558223437.db2.gz ANAMAOUFTWVAIE-LBPRGKRZSA-N 1 0 371.319 2.358 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000521868202 562185281 /nfs/dbraw/zinc/18/52/81/562185281.db2.gz CXXZLAQGXALRPJ-UHFFFAOYSA-N 1 0 362.430 2.147 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000377086614 558262699 /nfs/dbraw/zinc/26/26/99/558262699.db2.gz NNWUONCWYHMIQD-HNNXBMFYSA-N 1 0 371.393 2.229 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000377216544 558290856 /nfs/dbraw/zinc/29/08/56/558290856.db2.gz UZLGWCIFJBFTPA-YJBOKZPZSA-N 1 0 369.425 2.337 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCOC(C)(C)C1 ZINC000377387927 558331092 /nfs/dbraw/zinc/33/10/92/558331092.db2.gz CCWFXGFDZIISRJ-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377763843 558415189 /nfs/dbraw/zinc/41/51/89/558415189.db2.gz QJCBRMGTTHHKLJ-QWHCGFSZSA-N 1 0 365.434 2.017 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000378007700 558462125 /nfs/dbraw/zinc/46/21/25/558462125.db2.gz QGZRNKWZDUCVOZ-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378230779 558506895 /nfs/dbraw/zinc/50/68/95/558506895.db2.gz QNBREUXEVHUQMF-ZBFHGGJFSA-N 1 0 367.471 2.310 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@H+](CC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000523291876 562210533 /nfs/dbraw/zinc/21/05/33/562210533.db2.gz JFAQHIXMCNSUCN-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1C ZINC000404518039 558632139 /nfs/dbraw/zinc/63/21/39/558632139.db2.gz GYPAOUVWOPIION-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000405203644 558632585 /nfs/dbraw/zinc/63/25/85/558632585.db2.gz CDABYPMLHRRGHX-JQWIXIFHSA-N 1 0 361.851 2.386 20 5 FEBDRO C[C@@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000409647647 558710551 /nfs/dbraw/zinc/71/05/51/558710551.db2.gz CKFPYOLVSKBGDK-OCCSQVGLSA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524737080 562233548 /nfs/dbraw/zinc/23/35/48/562233548.db2.gz FPKFBPZPJNBACQ-TZMCWYRMSA-N 1 0 357.414 2.208 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC[NH+](C3CC3)CC2)c1F ZINC000411233758 558857265 /nfs/dbraw/zinc/85/72/65/558857265.db2.gz ACAQXLDHJUNWFX-UHFFFAOYSA-N 1 0 351.378 2.028 20 5 FEBDRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000411285493 558868354 /nfs/dbraw/zinc/86/83/54/558868354.db2.gz VBLMAGHJLRNTMT-UHFFFAOYSA-N 1 0 355.394 2.043 20 5 FEBDRO NC(=O)CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411318444 558875891 /nfs/dbraw/zinc/87/58/91/558875891.db2.gz BACGKOYSZKLSBJ-UHFFFAOYSA-N 1 0 370.409 2.301 20 5 FEBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc2c(c1)OCO2 ZINC000411479859 558901913 /nfs/dbraw/zinc/90/19/13/558901913.db2.gz MZOYIPXLZUOOKR-UHFFFAOYSA-N 1 0 370.365 2.105 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411522347 558910147 /nfs/dbraw/zinc/91/01/47/558910147.db2.gz AIKWTDZHSNTVRB-AWEZNQCLSA-N 1 0 364.446 2.387 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000411643790 558934628 /nfs/dbraw/zinc/93/46/28/558934628.db2.gz YYGKQOGVEWGSNG-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000411655731 558936976 /nfs/dbraw/zinc/93/69/76/558936976.db2.gz MKVMXJBOHHXSPV-ZFWWWQNUSA-N 1 0 351.403 2.049 20 5 FEBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000411731941 558952258 /nfs/dbraw/zinc/95/22/58/558952258.db2.gz CKLZDHQOBYJPLM-GOSISDBHSA-N 1 0 359.382 2.126 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411852876 558976243 /nfs/dbraw/zinc/97/62/43/558976243.db2.gz MRQIZOFKXAPVJR-UHFFFAOYSA-N 1 0 357.414 2.414 20 5 FEBDRO COc1ccc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411968782 558997195 /nfs/dbraw/zinc/99/71/95/558997195.db2.gz ORRHTOUUICMEKM-LJQANCHMSA-N 1 0 355.394 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1F ZINC000412371641 559031584 /nfs/dbraw/zinc/03/15/84/559031584.db2.gz SBHNHKGBJASFJW-GFCCVEGCSA-N 1 0 365.405 2.228 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412393696 559032883 /nfs/dbraw/zinc/03/28/83/559032883.db2.gz DYGVLHLLULBHAV-GFCCVEGCSA-N 1 0 353.394 2.228 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)CC1 ZINC000413136434 559081611 /nfs/dbraw/zinc/08/16/11/559081611.db2.gz OAVOWBPBVDNMNJ-LBPRGKRZSA-N 1 0 373.379 2.225 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)c2cccnc21 ZINC000413403056 559105263 /nfs/dbraw/zinc/10/52/63/559105263.db2.gz KPIMAPMLLNKYBA-UHFFFAOYSA-N 1 0 372.425 2.436 20 5 FEBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159993 559151216 /nfs/dbraw/zinc/15/12/16/559151216.db2.gz XIDMEYPSFWCPHW-YJBOKZPZSA-N 1 0 364.442 2.472 20 5 FEBDRO COC(=O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+](C)C1 ZINC000414480057 559167810 /nfs/dbraw/zinc/16/78/10/559167810.db2.gz ANHCQCSWALPADY-OAHLLOKOSA-N 1 0 373.409 2.391 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000414940931 559196184 /nfs/dbraw/zinc/19/61/84/559196184.db2.gz BYULDWAQZOBTON-KOLCDFICSA-N 1 0 356.329 2.412 20 5 FEBDRO COc1cc(CN[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948776 559196703 /nfs/dbraw/zinc/19/67/03/559196703.db2.gz ZBGSQBCJORMJQV-ZYHUDNBSSA-N 1 0 359.373 2.335 20 5 FEBDRO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414952773 559196806 /nfs/dbraw/zinc/19/68/06/559196806.db2.gz QXSOETPDDSLACY-CYBMUJFWSA-N 1 0 370.409 2.439 20 5 FEBDRO COCC1(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[NH2+]CC1 ZINC000415482514 559242040 /nfs/dbraw/zinc/24/20/40/559242040.db2.gz KNPBGAZXRQEHHZ-UHFFFAOYSA-N 1 0 350.419 2.349 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415591357 559253562 /nfs/dbraw/zinc/25/35/62/559253562.db2.gz ANAVMSBYJWPKNU-DGCLKSJQSA-N 1 0 364.402 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC2(C[NH3+])CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000415602022 559254427 /nfs/dbraw/zinc/25/44/27/559254427.db2.gz QNYSQULWUIASFY-UHFFFAOYSA-N 1 0 350.375 2.083 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c([N+](=O)[O-])c1 ZINC000415604824 559254599 /nfs/dbraw/zinc/25/45/99/559254599.db2.gz WMARHSWYCQBJIJ-OLZOCXBDSA-N 1 0 362.386 2.048 20 5 FEBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415606358 559254737 /nfs/dbraw/zinc/25/47/37/559254737.db2.gz YQMJTVAQYGXQHH-UHFFFAOYSA-N 1 0 352.391 2.329 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415631427 559256796 /nfs/dbraw/zinc/25/67/96/559256796.db2.gz MUWNHORKPPVWSX-CABCVRRESA-N 1 0 352.366 2.094 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415700418 559263363 /nfs/dbraw/zinc/26/33/63/559263363.db2.gz MOBMGPZFVKEZSZ-DTORHVGOSA-N 1 0 355.192 2.040 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000416019457 559289464 /nfs/dbraw/zinc/28/94/64/559289464.db2.gz ZUMYYDMMXIVEPN-CYBMUJFWSA-N 1 0 362.352 2.496 20 5 FEBDRO C[N@H+](CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416501219 559318109 /nfs/dbraw/zinc/31/81/09/559318109.db2.gz KEWSFQZRJREOEX-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000417198792 559352568 /nfs/dbraw/zinc/35/25/68/559352568.db2.gz SAMKVZBXSDZXEN-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417997898 559385761 /nfs/dbraw/zinc/38/57/61/559385761.db2.gz UQFLYEFEMQWUMS-VNHYZAJKSA-N 1 0 366.849 2.478 20 5 FEBDRO C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000418003274 559386090 /nfs/dbraw/zinc/38/60/90/559386090.db2.gz ZQYRYCIWHGNAEL-DGCLKSJQSA-N 1 0 354.838 2.417 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000420044912 559470011 /nfs/dbraw/zinc/47/00/11/559470011.db2.gz QGBOSSLHSNAJOA-INIZCTEOSA-N 1 0 351.428 2.242 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420391063 559485039 /nfs/dbraw/zinc/48/50/39/559485039.db2.gz NVNIGDCALSZIIX-UHOFOFEASA-N 1 0 372.400 2.488 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2CN1 ZINC000420457122 559488532 /nfs/dbraw/zinc/48/85/32/559488532.db2.gz IKUNYZQKODEVSJ-ZDUSSCGKSA-N 1 0 361.423 2.423 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000420461062 559488645 /nfs/dbraw/zinc/48/86/45/559488645.db2.gz LNVWJEHOOFCKBC-HNNXBMFYSA-N 1 0 363.439 2.444 20 5 FEBDRO COc1cccc([C@H](CNc2c(C(N)=O)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000420581842 559492864 /nfs/dbraw/zinc/49/28/64/559492864.db2.gz ILMWFZXNVYELKX-INIZCTEOSA-N 1 0 358.398 2.417 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420630331 559494407 /nfs/dbraw/zinc/49/44/07/559494407.db2.gz ROKQQVIRPNVPRE-IYBDPMFKSA-N 1 0 366.421 2.262 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000421796424 559553746 /nfs/dbraw/zinc/55/37/46/559553746.db2.gz OITLGLSLYGNTLB-SJLPKXTDSA-N 1 0 374.485 2.310 20 5 FEBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000422552733 559594633 /nfs/dbraw/zinc/59/46/33/559594633.db2.gz RHRYHKHZSVYIQT-UHFFFAOYSA-N 1 0 355.338 2.019 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000422552662 559594699 /nfs/dbraw/zinc/59/46/99/559594699.db2.gz HZGIXJUCUSKQNO-MCIONIFRSA-N 1 0 355.460 2.206 20 5 FEBDRO COC(=O)c1cc(C(=O)N(CCC[NH3+])CC2CCCC2)cc([N+](=O)[O-])c1 ZINC000423644523 559634936 /nfs/dbraw/zinc/63/49/36/559634936.db2.gz ZNFGDTOWPBMXHQ-UHFFFAOYSA-N 1 0 363.414 2.363 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000423940268 559647056 /nfs/dbraw/zinc/64/70/56/559647056.db2.gz NLTKRLZEOWPBPF-ZDUSSCGKSA-N 1 0 351.403 2.249 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](CCC[NH3+])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000423961822 559648156 /nfs/dbraw/zinc/64/81/56/559648156.db2.gz FCHMWXKFPUXGTB-MRXNPFEDSA-N 1 0 359.430 2.395 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423980158 559648873 /nfs/dbraw/zinc/64/88/73/559648873.db2.gz SCWITONGGUYWLQ-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423982144 559649005 /nfs/dbraw/zinc/64/90/05/559649005.db2.gz ZGVPIGVUTOPPDK-UHFFFAOYSA-N 1 0 364.431 2.052 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000423991040 559649411 /nfs/dbraw/zinc/64/94/11/559649411.db2.gz KYLJHHDBBDVCEJ-AWEZNQCLSA-N 1 0 373.434 2.464 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000423993549 559649510 /nfs/dbraw/zinc/64/95/10/559649510.db2.gz AWRWFDPMXMSLJQ-HKUYNNGSSA-N 1 0 361.442 2.272 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424007090 559650491 /nfs/dbraw/zinc/65/04/91/559650491.db2.gz URTRBZUGWASIRM-APWZRJJASA-N 1 0 361.442 2.191 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000424013249 559650966 /nfs/dbraw/zinc/65/09/66/559650966.db2.gz KIYPNFGCTLIHLI-NWDGAFQWSA-N 1 0 351.403 2.059 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000424073442 559653817 /nfs/dbraw/zinc/65/38/17/559653817.db2.gz HRSCLCLYYIMKHZ-CABZTGNLSA-N 1 0 361.320 2.406 20 5 FEBDRO C[C@H]1CC2(CN1C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CC[NH2+]CC2 ZINC000424251406 559659324 /nfs/dbraw/zinc/65/93/24/559659324.db2.gz ZQJPJCGOESUZEY-AWEZNQCLSA-N 1 0 369.425 2.385 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000425055718 559685445 /nfs/dbraw/zinc/68/54/45/559685445.db2.gz IKSOLMKTMQHGAV-XJKSGUPXSA-N 1 0 370.409 2.074 20 5 FEBDRO O=C(CN1CCC[C@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000425505388 559706366 /nfs/dbraw/zinc/70/63/66/559706366.db2.gz YNDPEQDVIIQSOK-LBPRGKRZSA-N 1 0 364.793 2.115 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427582257 559758328 /nfs/dbraw/zinc/75/83/28/559758328.db2.gz FCPGXHSMXZCUPE-SKDRFNHKSA-N 1 0 361.320 2.264 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000427900956 559764952 /nfs/dbraw/zinc/76/49/52/559764952.db2.gz AEDYCAQBTCWXIJ-ZDUSSCGKSA-N 1 0 372.425 2.401 20 5 FEBDRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000428983638 559787320 /nfs/dbraw/zinc/78/73/20/559787320.db2.gz QPNNXJLTPWCIOC-TZMCWYRMSA-N 1 0 357.414 2.113 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429319193 559795756 /nfs/dbraw/zinc/79/57/56/559795756.db2.gz TWZSNIJXMWIWAW-ZDUSSCGKSA-N 1 0 369.377 2.355 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cnn1C ZINC000431970702 559849562 /nfs/dbraw/zinc/84/95/62/559849562.db2.gz CUPPOOKKXYWGOP-KBXCAEBGSA-N 1 0 373.413 2.003 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432323829 559856378 /nfs/dbraw/zinc/85/63/78/559856378.db2.gz SJJVUMHTBIWWRM-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433066649 559870914 /nfs/dbraw/zinc/87/09/14/559870914.db2.gz KKYFCJPDEQONCW-KSSFIOAISA-N 1 0 357.410 2.457 20 5 FEBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434761402 559908604 /nfs/dbraw/zinc/90/86/04/559908604.db2.gz YDCIWMLTYZVZFV-WFASDCNBSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000434772603 559909025 /nfs/dbraw/zinc/90/90/25/559909025.db2.gz GNHNCFBWYZYWHO-DOMZBBRYSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1cc(CN2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000435370051 559921526 /nfs/dbraw/zinc/92/15/26/559921526.db2.gz HGGOKHDCSIHTHW-MNOVXSKESA-N 1 0 359.373 2.416 20 5 FEBDRO COc1cc(CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384644 559921986 /nfs/dbraw/zinc/92/19/86/559921986.db2.gz NHBHKXKLIBJRDT-JTQLQIEISA-N 1 0 363.336 2.325 20 5 FEBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000435748470 559929439 /nfs/dbraw/zinc/92/94/39/559929439.db2.gz OHYVHMJMXFIERR-UHFFFAOYSA-N 1 0 367.402 2.144 20 5 FEBDRO Cc1cc(OCC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801731 559930360 /nfs/dbraw/zinc/93/03/60/559930360.db2.gz UYQNHMOIYDQBOP-ZWKOTPCHSA-N 1 0 369.421 2.496 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437755376 559969095 /nfs/dbraw/zinc/96/90/95/559969095.db2.gz FQDSEBFSPVZHGO-FVQBIDKESA-N 1 0 351.378 2.058 20 5 FEBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000437879859 559970964 /nfs/dbraw/zinc/97/09/64/559970964.db2.gz VMPSTTZJVZVBMZ-HNNXBMFYSA-N 1 0 363.462 2.440 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000438605100 559981314 /nfs/dbraw/zinc/98/13/14/559981314.db2.gz IDDIHRXSCMRTHG-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000443765908 560092008 /nfs/dbraw/zinc/09/20/08/560092008.db2.gz TZYLUFWWPMNYPF-DZGCQCFKSA-N 1 0 355.460 2.229 20 5 FEBDRO C[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443983552 560098320 /nfs/dbraw/zinc/09/83/20/560098320.db2.gz FOIBPJADCCBJKF-QWHCGFSZSA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443983555 560098339 /nfs/dbraw/zinc/09/83/39/560098339.db2.gz FOIBPJADCCBJKF-STQMWFEESA-N 1 0 370.475 2.035 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000444623397 560116883 /nfs/dbraw/zinc/11/68/83/560116883.db2.gz SLSJFFWLYJBRCX-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000446653116 560149146 /nfs/dbraw/zinc/14/91/46/560149146.db2.gz MSJXNFNOSMMIPR-UHFFFAOYSA-N 1 0 372.381 2.242 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446906944 560153302 /nfs/dbraw/zinc/15/33/02/560153302.db2.gz AOGHVIOCXQBGJF-UHFFFAOYSA-N 1 0 374.445 2.392 20 5 FEBDRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447575817 560164669 /nfs/dbraw/zinc/16/46/69/560164669.db2.gz VDKFELUWZZVGMH-CVEARBPZSA-N 1 0 357.414 2.206 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448843968 560202421 /nfs/dbraw/zinc/20/24/21/560202421.db2.gz HIVNPWYMBUJKJB-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449102775 560215852 /nfs/dbraw/zinc/21/58/52/560215852.db2.gz LNUOHJUJJKWMSW-CQSZACIVSA-N 1 0 357.410 2.440 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449176286 560219033 /nfs/dbraw/zinc/21/90/33/560219033.db2.gz MCNCJPROAYQQIQ-LJQANCHMSA-N 1 0 354.410 2.054 20 5 FEBDRO COC(=O)c1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000449255081 560221899 /nfs/dbraw/zinc/22/18/99/560221899.db2.gz ZSSYAESPELIDRU-LJQANCHMSA-N 1 0 369.377 2.251 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccnn2C)C1=O ZINC000449279925 560223245 /nfs/dbraw/zinc/22/32/45/560223245.db2.gz UPCZRQGBEVUQAW-HIFRSBDPSA-N 1 0 357.414 2.045 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2(OC)CCCC2)cc1[N+](=O)[O-] ZINC000449346909 560226202 /nfs/dbraw/zinc/22/62/02/560226202.db2.gz OVIURNUMCHAEPC-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000449452254 560230874 /nfs/dbraw/zinc/23/08/74/560230874.db2.gz KJVPRGPYKHTWMN-KRWDZBQOSA-N 1 0 374.393 2.312 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1SC ZINC000449658405 560235884 /nfs/dbraw/zinc/23/58/84/560235884.db2.gz AULLELVFVDZNGE-LBPRGKRZSA-N 1 0 361.370 2.052 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000449723651 560238147 /nfs/dbraw/zinc/23/81/47/560238147.db2.gz XHMBPKXDYMWMMN-NXEZZACHSA-N 1 0 361.320 2.393 20 5 FEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149182 560252234 /nfs/dbraw/zinc/25/22/34/560252234.db2.gz VETJWJJDDHSVTR-YVEFUNNKSA-N 1 0 357.414 2.443 20 5 FEBDRO Cc1nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450260216 560256040 /nfs/dbraw/zinc/25/60/40/560256040.db2.gz BFNRAEYBDMFCSE-UHFFFAOYSA-N 1 0 370.457 2.708 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450595832 560267450 /nfs/dbraw/zinc/26/74/50/560267450.db2.gz MOGLOJUIXJJPGD-GFCCVEGCSA-N 1 0 369.393 2.169 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451339744 560301189 /nfs/dbraw/zinc/30/11/89/560301189.db2.gz JSNXOHOXROWSQA-OWYHZJEWSA-N 1 0 364.442 2.350 20 5 FEBDRO O=C1[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419600 560305865 /nfs/dbraw/zinc/30/58/65/560305865.db2.gz LSICWUSEHOBQGH-MLHJIOFPSA-N 1 0 359.426 2.326 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489025 560310102 /nfs/dbraw/zinc/31/01/02/560310102.db2.gz JWNXWJZOOYIBOA-JLZZUVOBSA-N 1 0 361.398 2.089 20 5 FEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451593225 560316512 /nfs/dbraw/zinc/31/65/12/560316512.db2.gz SILAHFURRVGMLT-OIISXLGYSA-N 1 0 366.414 2.046 20 5 FEBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451601622 560316842 /nfs/dbraw/zinc/31/68/42/560316842.db2.gz ULJPJDWUKWWMGU-SJORKVTESA-N 1 0 372.487 2.247 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689658 560322063 /nfs/dbraw/zinc/32/20/63/560322063.db2.gz MBISGERQRPIADB-ZBFHGGJFSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000451692762 560322367 /nfs/dbraw/zinc/32/23/67/560322367.db2.gz VKCCBRPNPQSKMJ-LBPRGKRZSA-N 1 0 370.456 2.470 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452101328 560351243 /nfs/dbraw/zinc/35/12/43/560351243.db2.gz GASYEYQOXLLEND-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)C1 ZINC000452153205 560353991 /nfs/dbraw/zinc/35/39/91/560353991.db2.gz QUPZVMMORJAGIA-LJQANCHMSA-N 1 0 369.425 2.338 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452358054 560359958 /nfs/dbraw/zinc/35/99/58/560359958.db2.gz FSVCDOYLNSZMRH-WMZOPIPTSA-N 1 0 363.458 2.127 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389491 560362878 /nfs/dbraw/zinc/36/28/78/560362878.db2.gz MAOLWHJVCIQDEX-DZGCQCFKSA-N 1 0 367.471 2.038 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000452728584 560372349 /nfs/dbraw/zinc/37/23/49/560372349.db2.gz IVKJRIYGONAVBC-UHFFFAOYSA-N 1 0 357.414 2.113 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452794467 560374245 /nfs/dbraw/zinc/37/42/45/560374245.db2.gz IJVZOLNANCTAGN-OAHLLOKOSA-N 1 0 363.458 2.469 20 5 FEBDRO CNc1nc(C(=O)NCCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000454361839 560441565 /nfs/dbraw/zinc/44/15/65/560441565.db2.gz AJNZRVDISZDWNZ-UHFFFAOYSA-N 1 0 357.414 2.283 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457058778 560546445 /nfs/dbraw/zinc/54/64/45/560546445.db2.gz PVRUJGTXBLFACL-UHFFFAOYSA-N 1 0 358.398 2.453 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457071191 560546968 /nfs/dbraw/zinc/54/69/68/560546968.db2.gz HNYLTVROCNOTKO-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc(CSCC(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457205267 560555707 /nfs/dbraw/zinc/55/57/07/560555707.db2.gz KOTXSZHEDUTWNG-UHFFFAOYSA-N 1 0 355.460 2.293 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000457380168 560564287 /nfs/dbraw/zinc/56/42/87/560564287.db2.gz PQEAPMGUSZWENJ-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000458159324 560605949 /nfs/dbraw/zinc/60/59/49/560605949.db2.gz FAJBNEAMMYUSFJ-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CC[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458524202 560629922 /nfs/dbraw/zinc/62/99/22/560629922.db2.gz WMVSJKRJTNXDTG-VBQJREDUSA-N 1 0 364.446 2.142 20 5 FEBDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000458886738 560654146 /nfs/dbraw/zinc/65/41/46/560654146.db2.gz HVNHIFPXBRUENM-YOEHRIQHSA-N 1 0 364.446 2.408 20 5 FEBDRO CCn1ccnc1[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459054436 560664370 /nfs/dbraw/zinc/66/43/70/560664370.db2.gz IGNIYLYWBUFYTF-GFCCVEGCSA-N 1 0 359.386 2.345 20 5 FEBDRO Cc1cc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)[nH]n1 ZINC000459558685 560694186 /nfs/dbraw/zinc/69/41/86/560694186.db2.gz ASTPVFSVHSRYGH-CQSZACIVSA-N 1 0 357.414 2.015 20 5 FEBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000459571266 560694873 /nfs/dbraw/zinc/69/48/73/560694873.db2.gz CELVKOGWBBMZFO-GOSISDBHSA-N 1 0 363.414 2.247 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471522 560773335 /nfs/dbraw/zinc/77/33/35/560773335.db2.gz QCXDKOIDHDUABF-INIZCTEOSA-N 1 0 371.441 2.360 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000463741918 560822812 /nfs/dbraw/zinc/82/28/12/560822812.db2.gz QOIJOQJWUHIWGA-MGPQQGTHSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787935 560850839 /nfs/dbraw/zinc/85/08/39/560850839.db2.gz GCSCAYHCKGCZNR-QZTJIDSGSA-N 1 0 364.421 2.490 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000465014097 560856870 /nfs/dbraw/zinc/85/68/70/560856870.db2.gz RJTMEJQCBQNHGY-OAHLLOKOSA-N 1 0 363.462 2.284 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984007 560877616 /nfs/dbraw/zinc/87/76/16/560877616.db2.gz RVISQRFZJPNVPE-HUUCEWRRSA-N 1 0 363.462 2.487 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000468471891 560930737 /nfs/dbraw/zinc/93/07/37/560930737.db2.gz WDWQZPQBIZINAZ-OAHLLOKOSA-N 1 0 365.430 2.462 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000468617177 560934067 /nfs/dbraw/zinc/93/40/67/560934067.db2.gz FQRMYKWEUQVEBO-UVTDQMKNSA-N 1 0 367.471 2.259 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472612993 561031013 /nfs/dbraw/zinc/03/10/13/561031013.db2.gz YUBSMKPDQSKUCR-RISCZKNCSA-N 1 0 366.393 2.004 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000472644282 561031853 /nfs/dbraw/zinc/03/18/53/561031853.db2.gz UYNDWQYXNONETI-HNNXBMFYSA-N 1 0 368.409 2.155 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000472952855 561038659 /nfs/dbraw/zinc/03/86/59/561038659.db2.gz NMKOHISFSFWAGH-KRWDZBQOSA-N 1 0 364.446 2.237 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000474936445 561085811 /nfs/dbraw/zinc/08/58/11/561085811.db2.gz WDTWWELPTWUNMV-GFCCVEGCSA-N 1 0 358.485 2.490 20 5 FEBDRO COc1c(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301334 561115906 /nfs/dbraw/zinc/11/59/06/561115906.db2.gz COJJLIKSJACJJE-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO COc1c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469669 561120248 /nfs/dbraw/zinc/12/02/48/561120248.db2.gz WEXMDUVAHJUGSK-HOTGVXAUSA-N 1 0 355.394 2.431 20 5 FEBDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000476648706 561125121 /nfs/dbraw/zinc/12/51/21/561125121.db2.gz OMWMJGNOEXYKNK-GDBMZVCRSA-N 1 0 371.441 2.359 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000531768413 562456035 /nfs/dbraw/zinc/45/60/35/562456035.db2.gz WLIJTZAIUQOJGV-ZIAGYGMSSA-N 1 0 361.398 2.346 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000532046295 562465173 /nfs/dbraw/zinc/46/51/73/562465173.db2.gz WBPYBJRGBHQFEQ-HNNXBMFYSA-N 1 0 364.446 2.251 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000532981604 562494613 /nfs/dbraw/zinc/49/46/13/562494613.db2.gz KAGUQFBEGFLZCO-OAHLLOKOSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(=O)Nc1ccccn1 ZINC000540814664 562593811 /nfs/dbraw/zinc/59/38/11/562593811.db2.gz ZYVUFMMIHPKBAT-ZDUSSCGKSA-N 1 0 371.397 2.325 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000541115664 562603448 /nfs/dbraw/zinc/60/34/48/562603448.db2.gz ZRMVZEMPDFSTCZ-UHFFFAOYSA-N 1 0 365.430 2.319 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cc(OC)cc[nH+]3)CC2)c1 ZINC000541113240 562603482 /nfs/dbraw/zinc/60/34/82/562603482.db2.gz UQMDWAJZOKAPKG-UHFFFAOYSA-N 1 0 372.381 2.112 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000568150873 567947881 /nfs/dbraw/zinc/94/78/81/567947881.db2.gz YJMLJZWFMVTIRZ-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000602544416 567989963 /nfs/dbraw/zinc/98/99/63/567989963.db2.gz RCVWWIZGDCXPOZ-QWHCGFSZSA-N 1 0 353.444 2.093 20 5 FEBDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000568503312 568039498 /nfs/dbraw/zinc/03/94/98/568039498.db2.gz OLKHIJJXZDGWRA-DZGCQCFKSA-N 1 0 369.425 2.089 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569111684 568277874 /nfs/dbraw/zinc/27/78/74/568277874.db2.gz WBCNUSPCFGMADY-ZIAGYGMSSA-N 1 0 362.430 2.160 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254993 568320974 /nfs/dbraw/zinc/32/09/74/568320974.db2.gz GOBPUKDLEWDKRW-OUCADQQQSA-N 1 0 361.398 2.126 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@H]2C1 ZINC000569514446 568404525 /nfs/dbraw/zinc/40/45/25/568404525.db2.gz DCDXLQKWSCOWQS-CJNGLKHVSA-N 1 0 364.421 2.101 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000570396639 568482919 /nfs/dbraw/zinc/48/29/19/568482919.db2.gz VHPFJMKXBVAHCA-UHFFFAOYSA-N 1 0 372.429 2.157 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000570664635 568494449 /nfs/dbraw/zinc/49/44/49/568494449.db2.gz HUDNRQQBAXSFPA-SJORKVTESA-N 1 0 361.442 2.290 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@@H]2C1 ZINC000570758628 568511256 /nfs/dbraw/zinc/51/12/56/568511256.db2.gz SWSFTISUWQONQU-LESCRADOSA-N 1 0 374.441 2.078 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557494479 674451007 /nfs/dbraw/zinc/45/10/07/674451007.db2.gz ZKJRJCCHGIFCSE-DGCLKSJQSA-N 1 0 350.419 2.617 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419218 599361798 /nfs/dbraw/zinc/36/17/98/599361798.db2.gz FTIRWJUNDKXKIT-MEDUHNTESA-N 1 0 354.370 2.159 20 5 FEBDRO Cc1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000822238649 599450852 /nfs/dbraw/zinc/45/08/52/599450852.db2.gz PJCORUHQEZUCPJ-UHFFFAOYSA-N 1 0 354.370 2.252 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629595 607472248 /nfs/dbraw/zinc/47/22/48/607472248.db2.gz BEHORQWAKYRJBQ-UKRRQHHQSA-N 1 0 369.429 2.228 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913726 674519436 /nfs/dbraw/zinc/51/94/36/674519436.db2.gz AKHBWMHQZSQITG-NSHDSACASA-N 1 0 358.826 2.463 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000809968518 674522670 /nfs/dbraw/zinc/52/26/70/674522670.db2.gz DDMRAAXQDXHWQY-QGZVFWFLSA-N 1 0 352.410 2.335 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812239 674630117 /nfs/dbraw/zinc/63/01/17/674630117.db2.gz PAXSTDTUCXAJPC-SKDRFNHKSA-N 1 0 350.375 2.341 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)C(C)C ZINC000811848619 674633459 /nfs/dbraw/zinc/63/34/59/674633459.db2.gz MMKYBZJJXOHIJB-JTQLQIEISA-N 1 0 354.363 2.430 20 5 FEBDRO CCOc1cc(NC(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000562037528 674717305 /nfs/dbraw/zinc/71/73/05/674717305.db2.gz CAQSWLDARUMANA-NSHDSACASA-N 1 0 354.407 2.464 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430996 674744540 /nfs/dbraw/zinc/74/45/40/674744540.db2.gz YXHKXLRBUOMMDD-QWRGUYRKSA-N 1 0 374.224 2.495 20 5 FEBDRO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127972 674848329 /nfs/dbraw/zinc/84/83/29/674848329.db2.gz YLGRELJIGFTDDE-JGVFFNPUSA-N 1 0 355.338 2.018 20 5 FEBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018591 674898441 /nfs/dbraw/zinc/89/84/41/674898441.db2.gz UPFZYDQDAGSIPE-MRVPVSSYSA-N 1 0 353.803 2.006 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047144434 670235187 /nfs/dbraw/zinc/23/51/87/670235187.db2.gz NGSKSFLKVOKSRF-LLVKDONJSA-N 1 0 350.375 2.416 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000573323400 671109185 /nfs/dbraw/zinc/10/91/85/671109185.db2.gz GUOISVHJSBOMGN-HOCLYGCPSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000817862233 675183169 /nfs/dbraw/zinc/18/31/69/675183169.db2.gz NSUAPPQZBYMOAH-UHFFFAOYSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000574518143 671249475 /nfs/dbraw/zinc/24/94/75/671249475.db2.gz VJKAXHAZAHCVPA-TZMCWYRMSA-N 1 0 353.444 2.323 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1[N+](=O)[O-] ZINC000575987031 671335984 /nfs/dbraw/zinc/33/59/84/671335984.db2.gz AVSOZMMYANWHBL-JTQLQIEISA-N 1 0 364.146 2.084 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000576070539 671341979 /nfs/dbraw/zinc/34/19/79/671341979.db2.gz WJKXEEGREKTVCA-RYUDHWBXSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000576458705 671370256 /nfs/dbraw/zinc/37/02/56/671370256.db2.gz LSUFEHQBFFAADI-UHFFFAOYSA-N 1 0 355.822 2.133 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000576540456 671375879 /nfs/dbraw/zinc/37/58/79/671375879.db2.gz BBWUCIFMBJDDFT-TZMCWYRMSA-N 1 0 352.391 2.118 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000577172405 671421725 /nfs/dbraw/zinc/42/17/25/671421725.db2.gz SQQCSGZBBCFEKW-WFASDCNBSA-N 1 0 366.805 2.309 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000577172404 671421759 /nfs/dbraw/zinc/42/17/59/671421759.db2.gz SQQCSGZBBCFEKW-SWLSCSKDSA-N 1 0 366.805 2.309 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCNC(C)=O)C1CCSCC1 ZINC000577299344 671586248 /nfs/dbraw/zinc/58/62/48/671586248.db2.gz XUQZOIRYTBQJGP-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609556985 675926004 /nfs/dbraw/zinc/92/60/04/675926004.db2.gz IBURNAYHFXFBNZ-CQSZACIVSA-N 1 0 350.419 2.275 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000578063970 671637714 /nfs/dbraw/zinc/63/77/14/671637714.db2.gz LGLMZLMBGREBQR-HUUCEWRRSA-N 1 0 369.487 2.079 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000578669762 671681511 /nfs/dbraw/zinc/68/15/11/671681511.db2.gz SPKAGJDFORROIN-PHIMTYICSA-N 1 0 358.236 2.497 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578906220 671697882 /nfs/dbraw/zinc/69/78/82/671697882.db2.gz LGEDPRCSJQWJHD-WQVCFCJDSA-N 1 0 367.471 2.280 20 5 FEBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579102577 671711979 /nfs/dbraw/zinc/71/19/79/671711979.db2.gz JTNZRKVOFHIEJO-INIZCTEOSA-N 1 0 369.487 2.079 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000579590972 671746916 /nfs/dbraw/zinc/74/69/16/671746916.db2.gz AUYXKIUQODJKIL-UHFFFAOYSA-N 1 0 367.471 2.312 20 5 FEBDRO CC[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Cl)c1 ZINC000580769570 671831299 /nfs/dbraw/zinc/83/12/99/671831299.db2.gz VYUGTVJVAUZWPF-LSDHHAIUSA-N 1 0 368.821 2.253 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000580783900 671833126 /nfs/dbraw/zinc/83/31/26/671833126.db2.gz NVQZJPUMOITWMZ-MRXNPFEDSA-N 1 0 367.471 2.376 20 5 FEBDRO C[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610025772 675947908 /nfs/dbraw/zinc/94/79/08/675947908.db2.gz IGQBSPYHUHBBMP-ZDUSSCGKSA-N 1 0 350.419 2.003 20 5 FEBDRO CC[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581127474 671866215 /nfs/dbraw/zinc/86/62/15/671866215.db2.gz VDZKGSKHEGCWPG-ZFWWWQNUSA-N 1 0 350.444 2.313 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CCC([NH3+])CC1 ZINC000124875470 672003528 /nfs/dbraw/zinc/00/35/28/672003528.db2.gz LKZSBUWZDGCWNC-UHFFFAOYSA-N 1 0 361.851 2.447 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nc3cc(Cl)ccc3s2)c1 ZINC000610335985 675967154 /nfs/dbraw/zinc/96/71/54/675967154.db2.gz BZZATPPFDJSKES-LLVKDONJSA-N 1 0 367.818 2.205 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000582840213 672038740 /nfs/dbraw/zinc/03/87/40/672038740.db2.gz ODVVJIJFWDOMBU-IQMDTDKHSA-N 1 0 370.247 2.403 20 5 FEBDRO C[C@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000610485238 675975044 /nfs/dbraw/zinc/97/50/44/675975044.db2.gz WWLOZUBHESSSDU-CQSZACIVSA-N 1 0 358.320 2.307 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866930 672133404 /nfs/dbraw/zinc/13/34/04/672133404.db2.gz LYNSBTNAAPIQCJ-BFYDXBDKSA-N 1 0 351.447 2.187 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000584309673 672175632 /nfs/dbraw/zinc/17/56/32/672175632.db2.gz SBWFFQGYRLXQMR-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[N@@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000584408058 672185388 /nfs/dbraw/zinc/18/53/88/672185388.db2.gz UISKGSOKEIEGMO-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000176056424 672372657 /nfs/dbraw/zinc/37/26/57/672372657.db2.gz LWDJYBPSHBJGRQ-GFCCVEGCSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000589930766 672548687 /nfs/dbraw/zinc/54/86/87/672548687.db2.gz ICNCPVGPKKAYBL-ZDUSSCGKSA-N 1 0 367.471 2.398 20 5 FEBDRO CCC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000611335622 676032909 /nfs/dbraw/zinc/03/29/09/676032909.db2.gz ZZHGTLLRDNHFGN-MRXNPFEDSA-N 1 0 355.460 2.451 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590441775 672582897 /nfs/dbraw/zinc/58/28/97/672582897.db2.gz DWTBQEMPEBTJDY-FZMZJTMJSA-N 1 0 353.806 2.180 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000590541641 672588274 /nfs/dbraw/zinc/58/82/74/672588274.db2.gz HVLCFFKHHGCLRT-UHFFFAOYSA-N 1 0 356.220 2.488 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000590749413 672609774 /nfs/dbraw/zinc/60/97/74/672609774.db2.gz FJPQDYVNKMVTPE-KYJSFNMBSA-N 1 0 350.415 2.226 20 5 FEBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611615051 676047870 /nfs/dbraw/zinc/04/78/70/676047870.db2.gz HGNXQHBKNUXICK-GFCCVEGCSA-N 1 0 355.341 2.410 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000591770898 672709901 /nfs/dbraw/zinc/70/99/01/672709901.db2.gz DLZAOXIKQXRDRQ-CYBMUJFWSA-N 1 0 370.496 2.491 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000591850849 672716334 /nfs/dbraw/zinc/71/63/34/672716334.db2.gz WJHJHRCQMATKTH-UHFFFAOYSA-N 1 0 351.447 2.406 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194352375 672757644 /nfs/dbraw/zinc/75/76/44/672757644.db2.gz KNVOIILAERQMFM-UHFFFAOYSA-N 1 0 359.423 2.275 20 5 FEBDRO C[C@H]1CC2(C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182716 672768236 /nfs/dbraw/zinc/76/82/36/672768236.db2.gz QGCRLLFZNWMLQW-HOCLYGCPSA-N 1 0 350.415 2.226 20 5 FEBDRO CCOc1cc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000592247826 672776922 /nfs/dbraw/zinc/77/69/22/672776922.db2.gz UZOLOVOWTJTXEJ-CYBMUJFWSA-N 1 0 351.403 2.072 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)c([N+](=O)[O-])cc1OC ZINC000592331008 672788448 /nfs/dbraw/zinc/78/84/48/672788448.db2.gz GHUVLQDFSQXIDG-YPMHNXCESA-N 1 0 351.403 2.202 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592391150 672796685 /nfs/dbraw/zinc/79/66/85/672796685.db2.gz XORBIYHBVZHUDR-CABCVRRESA-N 1 0 367.471 2.304 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592545160 672813248 /nfs/dbraw/zinc/81/32/48/672813248.db2.gz OJLGXFYOJBLDEB-GMXVVIOVSA-N 1 0 353.806 2.226 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592898344 672852289 /nfs/dbraw/zinc/85/22/89/672852289.db2.gz GIRKCMLVMCQJAF-UHFFFAOYSA-N 1 0 367.833 2.493 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000248253917 672855116 /nfs/dbraw/zinc/85/51/16/672855116.db2.gz UAUVMUYQWPFDJW-CYBMUJFWSA-N 1 0 355.822 2.335 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593541335 672938039 /nfs/dbraw/zinc/93/80/39/672938039.db2.gz LQLDMXWXZSMMEO-ZDUSSCGKSA-N 1 0 370.475 2.169 20 5 FEBDRO CC(C)C[N@H+](C)CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000593615799 672959161 /nfs/dbraw/zinc/95/91/61/672959161.db2.gz GHWXXSMCSCXZSI-UHFFFAOYSA-N 1 0 357.476 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1C ZINC000593666790 672974701 /nfs/dbraw/zinc/97/47/01/672974701.db2.gz RZWJLFFXLRNBKQ-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044366 673024882 /nfs/dbraw/zinc/02/48/82/673024882.db2.gz QTCIVGUGVWNPTM-BBRMVZONSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484740 673088552 /nfs/dbraw/zinc/08/85/52/673088552.db2.gz TVWSLQUFODHXHE-CABCVRRESA-N 1 0 353.444 2.198 20 5 FEBDRO COc1cc(CN[C@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000594581143 673102302 /nfs/dbraw/zinc/10/23/02/673102302.db2.gz VFBSSOYORJAHEK-LLVKDONJSA-N 1 0 373.278 2.227 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594791362 673143985 /nfs/dbraw/zinc/14/39/85/673143985.db2.gz ODQOXZJRHGYSLN-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO COCCC[NH+]1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000726907387 673146521 /nfs/dbraw/zinc/14/65/21/673146521.db2.gz ITTFKKNHSNLZLC-UHFFFAOYSA-N 1 0 352.460 2.382 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000594950156 673180046 /nfs/dbraw/zinc/18/00/46/673180046.db2.gz JLDHKYDYLMXLKC-UHFFFAOYSA-N 1 0 356.444 2.298 20 5 FEBDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000595000364 673185142 /nfs/dbraw/zinc/18/51/42/673185142.db2.gz GMCJEDPJAVBRQB-MGCOHNPYSA-N 1 0 350.293 2.157 20 5 FEBDRO [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595231940 673212513 /nfs/dbraw/zinc/21/25/13/673212513.db2.gz JQJIAJDZCPCZOY-UHFFFAOYSA-N 1 0 355.192 2.312 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000595381536 673238607 /nfs/dbraw/zinc/23/86/07/673238607.db2.gz OQBUONZKBQHLLX-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595411891 673246153 /nfs/dbraw/zinc/24/61/53/673246153.db2.gz PFXHJHHMQNPETA-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO C[NH2+]C[C@H](C)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000596105654 673359236 /nfs/dbraw/zinc/35/92/36/673359236.db2.gz LDDQPAKQJRCVIB-VIFPVBQESA-N 1 0 351.325 2.242 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596233596 673370642 /nfs/dbraw/zinc/37/06/42/673370642.db2.gz LEKSCMKKWOQJFA-LLVKDONJSA-N 1 0 371.821 2.294 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)Nc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732567331 673372202 /nfs/dbraw/zinc/37/22/02/673372202.db2.gz IVNVEMMFKITEBU-SNVBAGLBSA-N 1 0 354.363 2.432 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NC2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000596554080 673393273 /nfs/dbraw/zinc/39/32/73/673393273.db2.gz SZGIERITNHJBHC-UHFFFAOYSA-N 1 0 370.475 2.035 20 5 FEBDRO CCOc1cc(Sc2nnnn2C[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000537833776 673410261 /nfs/dbraw/zinc/41/02/61/673410261.db2.gz OVEBPEKPCVDGLB-NSHDSACASA-N 1 0 364.431 2.083 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598597924 673587779 /nfs/dbraw/zinc/58/77/79/673587779.db2.gz XASPSHVWOAMLCU-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598601993 673588216 /nfs/dbraw/zinc/58/82/16/673588216.db2.gz YOEQFXCMCAMHTC-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598614412 673590656 /nfs/dbraw/zinc/59/06/56/673590656.db2.gz DFXBZOWDVNEGJX-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668572 673596474 /nfs/dbraw/zinc/59/64/74/673596474.db2.gz ACZVYJDXVOTNAC-XHDPSFHLSA-N 1 0 368.231 2.240 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1 ZINC000542751654 673602243 /nfs/dbraw/zinc/60/22/43/673602243.db2.gz PEEZWOAKGIIRAW-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599103274 673633531 /nfs/dbraw/zinc/63/35/31/673633531.db2.gz IDIFHXYJUHTZFX-SCZZXKLOSA-N 1 0 367.349 2.032 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000599131232 673635609 /nfs/dbraw/zinc/63/56/09/673635609.db2.gz SOZGNKQDOUJUPS-LBPRGKRZSA-N 1 0 371.235 2.109 20 5 FEBDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccsc1 ZINC000740899506 673660356 /nfs/dbraw/zinc/66/03/56/673660356.db2.gz BPYIULKHJSOWLD-INIZCTEOSA-N 1 0 350.396 2.425 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464029 673678483 /nfs/dbraw/zinc/67/84/83/673678483.db2.gz IXMZATBVJLBTRA-OAHLLOKOSA-N 1 0 367.471 2.452 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599575173 673693271 /nfs/dbraw/zinc/69/32/71/673693271.db2.gz NTDNMJIXMURWRW-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632057 673699916 /nfs/dbraw/zinc/69/99/16/673699916.db2.gz RSSGSFKZXJUANQ-XESHVACXSA-N 1 0 365.455 2.217 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599654699 673702616 /nfs/dbraw/zinc/70/26/16/673702616.db2.gz HSCMJBYTIQVEPM-KLPPZKSPSA-N 1 0 360.357 2.450 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691550 673706889 /nfs/dbraw/zinc/70/68/89/673706889.db2.gz PDXAROCXVJIZEB-ZIAGYGMSSA-N 1 0 355.460 2.225 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000544474116 673713578 /nfs/dbraw/zinc/71/35/78/673713578.db2.gz ZJMTXKUIYHEMNX-RWMBFGLXSA-N 1 0 351.403 2.335 20 5 FEBDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000600761549 673797393 /nfs/dbraw/zinc/79/73/93/673797393.db2.gz KZAGVKPBSBBTEB-XIRDDKMYSA-N 1 0 354.451 2.116 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779236 673817929 /nfs/dbraw/zinc/81/79/29/673817929.db2.gz ZPGIUANJCLKGRM-ZIAGYGMSSA-N 1 0 355.460 2.277 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@]1([NH+](C)C)CCSC1 ZINC000601124036 673827412 /nfs/dbraw/zinc/82/74/12/673827412.db2.gz BTOCJKAHKKPKMN-LLVKDONJSA-N 1 0 353.370 2.196 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601135162 673828050 /nfs/dbraw/zinc/82/80/50/673828050.db2.gz AYBUCRZLJIHKHZ-UHFFFAOYSA-N 1 0 351.426 2.124 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601227353 673834066 /nfs/dbraw/zinc/83/40/66/673834066.db2.gz YKRGENUJIQBZOD-HNNXBMFYSA-N 1 0 356.810 2.169 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601292132 673838884 /nfs/dbraw/zinc/83/88/84/673838884.db2.gz SIRSWAWKNLVJKO-STQMWFEESA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000601339745 673844897 /nfs/dbraw/zinc/84/48/97/673844897.db2.gz GQCUJSIKXTVWFN-LBPRGKRZSA-N 1 0 359.473 2.214 20 5 FEBDRO O=C(CCC1C[NH2+]C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602437019 673906272 /nfs/dbraw/zinc/90/62/72/673906272.db2.gz CSUCWSXUDYNSBP-UHFFFAOYSA-N 1 0 360.336 2.141 20 5 FEBDRO CN(C)C(=O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602527394 673907397 /nfs/dbraw/zinc/90/73/97/673907397.db2.gz LEFUURHDLZWOKL-UHFFFAOYSA-N 1 0 350.238 2.377 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1SC ZINC000602535413 673907700 /nfs/dbraw/zinc/90/77/00/673907700.db2.gz YPAIYUDCKLUKNH-CQSZACIVSA-N 1 0 351.428 2.340 20 5 FEBDRO C[C@@H]1CN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602546526 673907928 /nfs/dbraw/zinc/90/79/28/673907928.db2.gz VGNZABHANIPFCB-SECBINFHSA-N 1 0 364.265 2.229 20 5 FEBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555257 673908006 /nfs/dbraw/zinc/90/80/06/673908006.db2.gz PTPPUXMNMQYISJ-NXEZZACHSA-N 1 0 361.320 2.406 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602853439 673912465 /nfs/dbraw/zinc/91/24/65/673912465.db2.gz YKXJRZDHJCFVEM-JSGCOSHPSA-N 1 0 352.435 2.399 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000603378432 673927611 /nfs/dbraw/zinc/92/76/11/673927611.db2.gz HFKRTTBBXKERFS-UHFFFAOYSA-N 1 0 373.862 2.355 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000548989539 674010312 /nfs/dbraw/zinc/01/03/12/674010312.db2.gz MSZCFKSLRAXVGM-AWEZNQCLSA-N 1 0 363.439 2.442 20 5 FEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000566244082 675198040 /nfs/dbraw/zinc/19/80/40/675198040.db2.gz DCXJYQSBMISYTH-CQSZACIVSA-N 1 0 350.419 2.006 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000818178955 675203017 /nfs/dbraw/zinc/20/30/17/675203017.db2.gz VTWGODNIRFABOO-INIZCTEOSA-N 1 0 361.427 2.157 20 5 FEBDRO Cc1cnc([C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000566792600 675243175 /nfs/dbraw/zinc/24/31/75/675243175.db2.gz GKCHIDFJFFYSRH-AAEUAGOBSA-N 1 0 351.428 2.493 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(Cl)nc2)cc1 ZINC000819158989 675265148 /nfs/dbraw/zinc/26/51/48/675265148.db2.gz GDYFWOAJWGLHBO-UHFFFAOYSA-N 1 0 369.830 2.249 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c1 ZINC000819198478 675269201 /nfs/dbraw/zinc/26/92/01/675269201.db2.gz SAVQOPGNQAHWRI-MIGQKNRLSA-N 1 0 370.496 2.304 20 5 FEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000567451898 675294057 /nfs/dbraw/zinc/29/40/57/675294057.db2.gz HYXAXPNQNBXRBR-HLLBOEOZSA-N 1 0 351.447 2.187 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000567862014 675330215 /nfs/dbraw/zinc/33/02/15/675330215.db2.gz FFYIKBHHMBJQMU-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C2)C1 ZINC000820341553 675355566 /nfs/dbraw/zinc/35/55/66/675355566.db2.gz FPRRLZWFYKGTAT-OAHLLOKOSA-N 1 0 356.785 2.137 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000821270598 675423969 /nfs/dbraw/zinc/42/39/69/675423969.db2.gz LNMMNSSTHWJDPU-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000823054766 675526423 /nfs/dbraw/zinc/52/64/23/675526423.db2.gz BWCKJNCCPKOHOR-VIFPVBQESA-N 1 0 368.821 2.419 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1(C)C ZINC000824087427 675583300 /nfs/dbraw/zinc/58/33/00/675583300.db2.gz RZWMWAZUERFADX-MNOVXSKESA-N 1 0 371.235 2.211 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000825600648 675660661 /nfs/dbraw/zinc/66/06/61/675660661.db2.gz NSKHGOLEXMFEAL-LBPRGKRZSA-N 1 0 352.410 2.260 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000825863573 675671696 /nfs/dbraw/zinc/67/16/96/675671696.db2.gz SQHPXLOAQMFLRR-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO CCOC(=O)Cc1ccc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000825876411 675672251 /nfs/dbraw/zinc/67/22/51/675672251.db2.gz HCJNGJXZAMXWRN-CVEARBPZSA-N 1 0 367.471 2.182 20 5 FEBDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1(=O)=O ZINC000827165340 675735609 /nfs/dbraw/zinc/73/56/09/675735609.db2.gz XFJJMWADQHDAQS-DZGCQCFKSA-N 1 0 367.471 2.119 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603659079 675800675 /nfs/dbraw/zinc/80/06/75/675800675.db2.gz YGJFSHZQLDEHQP-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000603662537 675800784 /nfs/dbraw/zinc/80/07/84/675800784.db2.gz MFMAAVNGTLGJFN-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000604105383 675803596 /nfs/dbraw/zinc/80/35/96/675803596.db2.gz PORDOUSSOZLJMZ-ZDUSSCGKSA-N 1 0 350.419 2.277 20 5 FEBDRO C[NH+](C)CC1(O)CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000828195305 675805222 /nfs/dbraw/zinc/80/52/22/675805222.db2.gz BTPWMSLWDRNHJI-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000604573587 675806366 /nfs/dbraw/zinc/80/63/66/675806366.db2.gz WMPLOWBEXLPETO-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618463891 676340732 /nfs/dbraw/zinc/34/07/32/676340732.db2.gz NDEFWNLMLLKZBP-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000618583546 676345395 /nfs/dbraw/zinc/34/53/95/676345395.db2.gz VJLATTJQPAIXBJ-YUMQZZPRSA-N 1 0 352.263 2.300 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000619475860 676379132 /nfs/dbraw/zinc/37/91/32/676379132.db2.gz ZSYWCNORITVNID-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024336 677022320 /nfs/dbraw/zinc/02/23/20/677022320.db2.gz QWVNAMPAWSBYPC-YLFCFFPRSA-N 1 0 361.467 2.394 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sccc1C(N)=O ZINC000830167038 677028516 /nfs/dbraw/zinc/02/85/16/677028516.db2.gz GKBJESGPPCXTNO-VHSXEESVSA-N 1 0 362.411 2.433 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000840952795 680856580 /nfs/dbraw/zinc/85/65/80/680856580.db2.gz UKBJJZVIAQZKLV-RYUDHWBXSA-N 1 0 361.851 2.318 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000749841342 680080276 /nfs/dbraw/zinc/08/02/76/680080276.db2.gz WWQHVODFTRKTHR-CQSZACIVSA-N 1 0 363.439 2.365 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC12CCOCC2 ZINC000834853846 680277680 /nfs/dbraw/zinc/27/76/80/680277680.db2.gz MYMOFWUHDUPUOQ-LLVKDONJSA-N 1 0 353.806 2.076 20 5 FEBDRO CCCCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC000983657780 680318732 /nfs/dbraw/zinc/31/87/32/680318732.db2.gz NBCQZWYNOVPBDA-QHSBEEBCSA-N 1 0 366.487 2.135 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000997773730 680365671 /nfs/dbraw/zinc/36/56/71/680365671.db2.gz XYTCBOMZPIHEDN-GDBMZVCRSA-N 1 0 369.824 2.473 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2ccc(Cl)s2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001397818 680459896 /nfs/dbraw/zinc/45/98/96/680459896.db2.gz XOLKLIRQIVOPSW-CHWSQXEVSA-N 1 0 357.863 2.395 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841204109 680868884 /nfs/dbraw/zinc/86/88/84/680868884.db2.gz REGJOFKHKKBPKA-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842474122 680949209 /nfs/dbraw/zinc/94/92/09/680949209.db2.gz FXENOBXFRYBECZ-UTUOFQBUSA-N 1 0 352.822 2.402 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000842700429 680960385 /nfs/dbraw/zinc/96/03/85/680960385.db2.gz YZKTWBHCCJZCEJ-MNOVXSKESA-N 1 0 361.851 2.223 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768849397 680961368 /nfs/dbraw/zinc/96/13/68/680961368.db2.gz WWNFXPDWKZWBGZ-GFCCVEGCSA-N 1 0 359.473 2.009 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000842893118 680974052 /nfs/dbraw/zinc/97/40/52/680974052.db2.gz JYEMBRDNNIFMTO-RYUDHWBXSA-N 1 0 373.862 2.258 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC[C@@H](O)c2ccccc2)cc1 ZINC000843088612 680986835 /nfs/dbraw/zinc/98/68/35/680986835.db2.gz PGCRXOHYQIZCPP-QGZVFWFLSA-N 1 0 364.423 2.082 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000843369062 681000150 /nfs/dbraw/zinc/00/01/50/681000150.db2.gz VQHOKVGYLFBGAB-MPKXVKKWSA-N 1 0 352.822 2.246 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843451570 681004714 /nfs/dbraw/zinc/00/47/14/681004714.db2.gz UAUYMMLLTSJOTC-SNVBAGLBSA-N 1 0 372.194 2.463 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CCC([NH+]3CCCCC3)CC2)nc1 ZINC000845891326 681160060 /nfs/dbraw/zinc/16/00/60/681160060.db2.gz WWLORCDIIQYEAX-UHFFFAOYSA-N 1 0 368.459 2.065 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000846152597 681190613 /nfs/dbraw/zinc/19/06/13/681190613.db2.gz ATMGGRCQAHDEQO-UHFFFAOYSA-N 1 0 370.837 2.158 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846686876 681275543 /nfs/dbraw/zinc/27/55/43/681275543.db2.gz BNYPXHCAXRIMBY-GHJWDPDVSA-N 1 0 351.378 2.092 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846693689 681276368 /nfs/dbraw/zinc/27/63/68/681276368.db2.gz JGXVKCHDDVTELM-MFKMUULPSA-N 1 0 350.375 2.401 20 5 FEBDRO CS[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000776486414 681395813 /nfs/dbraw/zinc/39/58/13/681395813.db2.gz SSEOIUISDLLSQO-GVDBMIGSSA-N 1 0 351.472 2.140 20 5 FEBDRO CCOC(=O)N(C)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582888 681410732 /nfs/dbraw/zinc/41/07/32/681410732.db2.gz VXOIDCSAFVACLH-INIZCTEOSA-N 1 0 351.403 2.181 20 5 FEBDRO COCC[NH+]1CCC(OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000847885853 681446082 /nfs/dbraw/zinc/44/60/82/681446082.db2.gz SZNJOQYNZJCFNO-UHFFFAOYSA-N 1 0 352.387 2.179 20 5 FEBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000933749766 681462624 /nfs/dbraw/zinc/46/26/24/681462624.db2.gz PWAFGDALCGVJIH-NHYWBVRUSA-N 1 0 368.231 2.445 20 5 FEBDRO CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000933990753 681493931 /nfs/dbraw/zinc/49/39/31/681493931.db2.gz RASNJKXUNIUXOS-UHFFFAOYSA-N 1 0 371.279 2.037 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000934385776 681562462 /nfs/dbraw/zinc/56/24/62/681562462.db2.gz OMILOVHYZJQJCU-ZDUSSCGKSA-N 1 0 355.460 2.403 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000848585755 681583234 /nfs/dbraw/zinc/58/32/34/681583234.db2.gz BYCXHBSQPKJBCH-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000934977822 681667446 /nfs/dbraw/zinc/66/74/46/681667446.db2.gz JDTZBCFBECANKC-CYBMUJFWSA-N 1 0 369.849 2.096 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912912014 685466440 /nfs/dbraw/zinc/46/64/40/685466440.db2.gz ULPNXQNFZRPKGU-CQSZACIVSA-N 1 0 365.455 2.254 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000935779125 681820627 /nfs/dbraw/zinc/82/06/27/681820627.db2.gz BNGCZYMNRREBIW-GFCCVEGCSA-N 1 0 355.460 2.139 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[S@](=O)CC(F)(F)F)n1 ZINC000850496669 681908623 /nfs/dbraw/zinc/90/86/23/681908623.db2.gz PYASJDPJWMETPG-JEKXNZCQSA-N 1 0 368.381 2.176 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781566516 681949085 /nfs/dbraw/zinc/94/90/85/681949085.db2.gz CYYYIFDCRIEHQY-UHFFFAOYSA-N 1 0 352.391 2.140 20 5 FEBDRO C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000851646483 682100947 /nfs/dbraw/zinc/10/09/47/682100947.db2.gz BJCMWVJWEVJCIJ-IAQYHMDHSA-N 1 0 350.375 2.483 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000851894696 682180307 /nfs/dbraw/zinc/18/03/07/682180307.db2.gz PDBFLPQZAZAXJT-ZDUSSCGKSA-N 1 0 371.434 2.134 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000851897254 682181013 /nfs/dbraw/zinc/18/10/13/682181013.db2.gz NJQMCYXIBDZYIR-LBPRGKRZSA-N 1 0 361.851 2.175 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000783908728 682185487 /nfs/dbraw/zinc/18/54/87/682185487.db2.gz AHVMOLRMOZCVKI-HOCLYGCPSA-N 1 0 366.801 2.311 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1cc([N+](=O)[O-])ccc1OC ZINC000917594663 685533236 /nfs/dbraw/zinc/53/32/36/685533236.db2.gz VBBCLTJIOCFALG-AWEZNQCLSA-N 1 0 352.460 2.052 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000917909470 685535686 /nfs/dbraw/zinc/53/56/86/685535686.db2.gz UCYDCVWMIWITMA-GHMZBOCLSA-N 1 0 359.835 2.153 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332847 682537756 /nfs/dbraw/zinc/53/77/56/682537756.db2.gz KDHDPARQBUPRPI-CQSZACIVSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590507 682620234 /nfs/dbraw/zinc/62/02/34/682620234.db2.gz IELFCTYKTDOVBN-NSHDSACASA-N 1 0 351.363 2.376 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855288400 682654274 /nfs/dbraw/zinc/65/42/74/682654274.db2.gz IOUDVYFARATOKT-LLVKDONJSA-N 1 0 350.375 2.414 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000855486212 682676064 /nfs/dbraw/zinc/67/60/64/682676064.db2.gz JKZJXMZKYZCJFO-CYBMUJFWSA-N 1 0 350.375 2.368 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000790584778 682686424 /nfs/dbraw/zinc/68/64/24/682686424.db2.gz WLQXRBDQDHPEEE-OAHLLOKOSA-N 1 0 353.394 2.349 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857235337 682867511 /nfs/dbraw/zinc/86/75/11/682867511.db2.gz QNUURXHEXAUPPA-QMTHXVAHSA-N 1 0 359.835 2.059 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000857765886 682910911 /nfs/dbraw/zinc/91/09/11/682910911.db2.gz LMUZYNDLWLPIJI-DDTOSNHZSA-N 1 0 355.341 2.152 20 5 FEBDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796156176 683133812 /nfs/dbraw/zinc/13/38/12/683133812.db2.gz FTCXAVQOKLOJCK-CQSZACIVSA-N 1 0 353.423 2.172 20 5 FEBDRO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000797518550 683256204 /nfs/dbraw/zinc/25/62/04/683256204.db2.gz BXIURNYXKKUTIM-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797528819 683257283 /nfs/dbraw/zinc/25/72/83/683257283.db2.gz XIVNWGCAVPXLGI-KJWYOANISA-N 1 0 350.415 2.287 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000861036258 683335146 /nfs/dbraw/zinc/33/51/46/683335146.db2.gz ZFOIRLJSCRDJJS-JSGCOSHPSA-N 1 0 354.378 2.491 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000799396044 683451619 /nfs/dbraw/zinc/45/16/19/683451619.db2.gz JVPNNYIGTXCWSD-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)CCO2 ZINC000862115442 683532457 /nfs/dbraw/zinc/53/24/57/683532457.db2.gz WVJRDZKEMJDYAP-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000922156314 683671311 /nfs/dbraw/zinc/67/13/11/683671311.db2.gz MHXNSFJVEYCUCZ-NSHDSACASA-N 1 0 356.220 2.110 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000930720428 683776185 /nfs/dbraw/zinc/77/61/85/683776185.db2.gz CWOPQLKJWBIIPC-MFKMUULPSA-N 1 0 359.220 2.234 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000931296451 684257385 /nfs/dbraw/zinc/25/73/85/684257385.db2.gz HKBYZIUUCOXRGV-CHWSQXEVSA-N 1 0 368.821 2.311 20 5 FEBDRO COc1ccc(NC(=O)CCN2[C@H](C)C[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000923442788 684281668 /nfs/dbraw/zinc/28/16/68/684281668.db2.gz MOVIBVPQYLFESL-JHJVBQTASA-N 1 0 350.419 2.003 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434830 684282559 /nfs/dbraw/zinc/28/25/59/684282559.db2.gz YHIYUZJTBRGITP-NEPJUHHUSA-N 1 0 352.822 2.070 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931725105 684337593 /nfs/dbraw/zinc/33/75/93/684337593.db2.gz OWDDVGKYJDLMFC-QWHCGFSZSA-N 1 0 352.822 2.355 20 5 FEBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000867744361 684370693 /nfs/dbraw/zinc/37/06/93/684370693.db2.gz SZSSGGXYENAPEW-UHFFFAOYSA-N 1 0 359.423 2.275 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000924798211 684494025 /nfs/dbraw/zinc/49/40/25/684494025.db2.gz LPDNTBTZCZRKKM-STQMWFEESA-N 1 0 355.460 2.306 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691598 684578721 /nfs/dbraw/zinc/57/87/21/684578721.db2.gz IURQXXYHDXAEER-QWHCGFSZSA-N 1 0 355.460 2.306 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925763238 684583536 /nfs/dbraw/zinc/58/35/36/684583536.db2.gz RDNDAVUQAMZWTF-CABCVRRESA-N 1 0 370.247 2.214 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(OCCO)CCOC1 ZINC000872085892 684918734 /nfs/dbraw/zinc/91/87/34/684918734.db2.gz RSUYUULCOBNHKB-MLGOLLRUSA-N 1 0 356.444 2.135 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000872229232 684929597 /nfs/dbraw/zinc/92/95/97/684929597.db2.gz NMPUXCVPHKNENI-LSDHHAIUSA-N 1 0 350.415 2.131 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666115 685001590 /nfs/dbraw/zinc/00/15/90/685001590.db2.gz WSBKDGGHWILUND-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000873171278 685087281 /nfs/dbraw/zinc/08/72/81/685087281.db2.gz IFWDETASFBABJF-SFESLNEESA-N 1 0 368.455 2.439 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@@H](C)SC)cc([N+](=O)[O-])c2)CC1 ZINC000876231457 686162441 /nfs/dbraw/zinc/16/24/41/686162441.db2.gz XGVVRRUXWZIINM-CYBMUJFWSA-N 1 0 366.487 2.451 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877371767 686368066 /nfs/dbraw/zinc/36/80/66/686368066.db2.gz VNPUWEQBSZOFHJ-GMSGAONNSA-N 1 0 351.712 2.457 20 5 FEBDRO CO[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@](C)(CO)C1 ZINC000879262731 686782558 /nfs/dbraw/zinc/78/25/58/686782558.db2.gz YWPGMTJTDWBUQX-BXUZGUMPSA-N 1 0 359.220 2.329 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458335 687051143 /nfs/dbraw/zinc/05/11/43/687051143.db2.gz PTDZNEMDIIHEIZ-OAHLLOKOSA-N 1 0 350.415 2.370 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000881936266 687265549 /nfs/dbraw/zinc/26/55/49/687265549.db2.gz ZFKSJGJXMIXVBJ-QWRGUYRKSA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000882045339 687292348 /nfs/dbraw/zinc/29/23/48/687292348.db2.gz YHPOEMJLLXFAFU-UHFFFAOYSA-N 1 0 359.835 2.097 20 5 FEBDRO COc1cc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000882726451 687458253 /nfs/dbraw/zinc/45/82/53/687458253.db2.gz VAXGXTCZJJGUMT-ZDUSSCGKSA-N 1 0 353.394 2.480 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c1C ZINC000883478308 687642703 /nfs/dbraw/zinc/64/27/03/687642703.db2.gz BWCRKFXYISLIQK-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000885874848 688175456 /nfs/dbraw/zinc/17/54/56/688175456.db2.gz BIISLPQCCVYOIG-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412802 688249072 /nfs/dbraw/zinc/24/90/72/688249072.db2.gz SUGWNHBMVYBSGH-CYBMUJFWSA-N 1 0 353.423 2.123 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]C1 ZINC000891980993 689135200 /nfs/dbraw/zinc/13/52/00/689135200.db2.gz ZAGWGGIDXUUNQL-SNVBAGLBSA-N 1 0 371.235 2.156 20 5 FEBDRO COc1c(O)ccc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[N+](=O)[O-] ZINC000892021431 689141432 /nfs/dbraw/zinc/14/14/32/689141432.db2.gz HNLFQAUJGFACND-UHFFFAOYSA-N 1 0 352.387 2.284 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892283021 689175152 /nfs/dbraw/zinc/17/51/52/689175152.db2.gz VVXGUXBNESTWQO-NWDGAFQWSA-N 1 0 371.235 2.297 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000893304071 689328698 /nfs/dbraw/zinc/32/86/98/689328698.db2.gz KBCNSJMMSCVRPL-HIFRSBDPSA-N 1 0 374.846 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1OC(F)F ZINC000897221838 689990776 /nfs/dbraw/zinc/99/07/76/689990776.db2.gz PATTZPAJRRRPOC-QWHCGFSZSA-N 1 0 357.357 2.232 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000898630958 690219626 /nfs/dbraw/zinc/21/96/26/690219626.db2.gz OPSAJZDLEWFGDX-UHFFFAOYSA-N 1 0 353.444 2.338 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902904414 690818891 /nfs/dbraw/zinc/81/88/91/690818891.db2.gz KJAZXUQOAJQSBQ-KGLIPLIRSA-N 1 0 354.407 2.435 20 5 FEBDRO CCO[C@@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000902951299 690823113 /nfs/dbraw/zinc/82/31/13/690823113.db2.gz NELHCIDGYPRSAG-DZGCQCFKSA-N 1 0 356.444 2.306 20 5 FEBDRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903485490 690898911 /nfs/dbraw/zinc/89/89/11/690898911.db2.gz OIVAOVUNUIIQCO-CQSZACIVSA-N 1 0 352.822 2.451 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000904471069 691029996 /nfs/dbraw/zinc/02/99/96/691029996.db2.gz WHFQOUWULSNGGW-JFUSQASVSA-N 1 0 355.192 2.372 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000905424335 691116895 /nfs/dbraw/zinc/11/68/95/691116895.db2.gz DEISBQMZJYRHIJ-IAGOWNOFSA-N 1 0 350.415 2.194 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905425265 691117477 /nfs/dbraw/zinc/11/74/77/691117477.db2.gz OXNNNOCIONFWDI-IAGOWNOFSA-N 1 0 350.415 2.194 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000905566084 691142265 /nfs/dbraw/zinc/14/22/65/691142265.db2.gz KKVBNTUHECPJPO-CYBMUJFWSA-N 1 0 363.439 2.460 20 5 FEBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906748342 691310208 /nfs/dbraw/zinc/31/02/08/691310208.db2.gz BYVMDZMXIVMFAA-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000908598426 691703512 /nfs/dbraw/zinc/70/35/12/691703512.db2.gz OIFWXJUHRAKHRE-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908607017 691704534 /nfs/dbraw/zinc/70/45/34/691704534.db2.gz FQQBAVNJCOSZIU-UHFFFAOYSA-N 1 0 353.394 2.007 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)cnc1Cl ZINC001164402688 718861123 /nfs/dbraw/zinc/86/11/23/718861123.db2.gz LGIDOCXBYDXKEI-JOYOIKCWSA-N 1 0 362.764 2.003 20 5 FEBDRO CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153178760 719458715 /nfs/dbraw/zinc/45/87/15/719458715.db2.gz ABBMJOZICIDHHA-IAGOWNOFSA-N 1 0 369.425 2.133 20 5 FEBDRO COc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1OC ZINC000007127076 539448866 /nfs/dbraw/zinc/44/88/66/539448866.db2.gz MYIHAMAJHZQXFX-HNNXBMFYSA-N 1 0 368.353 2.458 20 5 FEBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025699109 539766744 /nfs/dbraw/zinc/76/67/44/539766744.db2.gz ZWKXCMLBURGHBQ-MRXNPFEDSA-N 1 0 364.373 2.484 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000027932754 539820550 /nfs/dbraw/zinc/82/05/50/539820550.db2.gz JTWUFVZIQLRJHH-UHFFFAOYSA-N 1 0 356.426 2.370 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000027960479 539821679 /nfs/dbraw/zinc/82/16/79/539821679.db2.gz OPXOYQGCKGBPKJ-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000028840968 539838188 /nfs/dbraw/zinc/83/81/88/539838188.db2.gz LQESNSAAUKABBZ-GOSISDBHSA-N 1 0 373.409 2.401 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031264301 539903150 /nfs/dbraw/zinc/90/31/50/539903150.db2.gz OCBWVHVCKZMWDF-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031337642 539905965 /nfs/dbraw/zinc/90/59/65/539905965.db2.gz WPTKYBXBEJTZNY-UHFFFAOYSA-N 1 0 355.394 2.148 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000032441262 539939580 /nfs/dbraw/zinc/93/95/80/539939580.db2.gz QQSXLMUWOIFNNX-OLZOCXBDSA-N 1 0 355.460 2.444 20 5 FEBDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000032761037 539952151 /nfs/dbraw/zinc/95/21/51/539952151.db2.gz CTEBUPBUFZSZRW-UHFFFAOYSA-N 1 0 368.437 2.142 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000042505386 540064384 /nfs/dbraw/zinc/06/43/84/540064384.db2.gz XPBNSVWIBJFVBC-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000045744863 540224971 /nfs/dbraw/zinc/22/49/71/540224971.db2.gz PIURGLHEQFNKJR-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000047226918 540297805 /nfs/dbraw/zinc/29/78/05/540297805.db2.gz DLGFSLCOBIXAJO-HZPDHXFCSA-N 1 0 361.398 2.128 20 5 FEBDRO CNc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC000047553083 540317969 /nfs/dbraw/zinc/31/79/69/540317969.db2.gz NQRQPPJLXNWYHF-UHFFFAOYSA-N 1 0 370.413 2.036 20 5 FEBDRO Cc1cccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000050799780 540414984 /nfs/dbraw/zinc/41/49/84/540414984.db2.gz UZZAKTMWMADZGH-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000051763908 540443212 /nfs/dbraw/zinc/44/32/12/540443212.db2.gz SEYSZDPIXMIUQD-GJZGRUSLSA-N 1 0 361.442 2.443 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000052488785 540467881 /nfs/dbraw/zinc/46/78/81/540467881.db2.gz YCGUURYVZGIZAW-CYBMUJFWSA-N 1 0 370.475 2.037 20 5 FEBDRO CC(C)COC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000054326206 540583617 /nfs/dbraw/zinc/58/36/17/540583617.db2.gz DAVKKABOTVDKLH-INIZCTEOSA-N 1 0 352.431 2.472 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000055429221 540652903 /nfs/dbraw/zinc/65/29/03/540652903.db2.gz SVRLAUCVGNKYBP-UHFFFAOYSA-N 1 0 355.398 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055913477 540686650 /nfs/dbraw/zinc/68/66/50/540686650.db2.gz DIEVROKKQPTNSG-UHFFFAOYSA-N 1 0 374.441 2.222 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057710088 540810516 /nfs/dbraw/zinc/81/05/16/540810516.db2.gz BOLDSLPJMWROIZ-GFCCVEGCSA-N 1 0 367.471 2.436 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000058561394 540849126 /nfs/dbraw/zinc/84/91/26/540849126.db2.gz UTTAEPUVSQCSBO-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060089887 540868225 /nfs/dbraw/zinc/86/82/25/540868225.db2.gz SYIUTPFFRKVKBH-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247372990 549326191 /nfs/dbraw/zinc/32/61/91/549326191.db2.gz KYOOBARLLNHGKB-TZMCWYRMSA-N 1 0 365.430 2.414 20 5 FEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000065836569 541265518 /nfs/dbraw/zinc/26/55/18/541265518.db2.gz UDZCUTDQHGXPDA-UHFFFAOYSA-N 1 0 365.393 2.293 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+](C)[C@@H](C)CC)cc([N+](=O)[O-])c1 ZINC000066137891 541284468 /nfs/dbraw/zinc/28/44/68/541284468.db2.gz RYYGONZMDFTZDD-LBPRGKRZSA-N 1 0 351.403 2.232 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000066725625 541366464 /nfs/dbraw/zinc/36/64/64/541366464.db2.gz GEYWEOJAFNCOOS-UHFFFAOYSA-N 1 0 359.430 2.292 20 5 FEBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+]1CCCCC1 ZINC000067138416 541423026 /nfs/dbraw/zinc/42/30/26/541423026.db2.gz QZGVMCZQFKFXGO-CQSZACIVSA-N 1 0 372.429 2.027 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067149266 541425301 /nfs/dbraw/zinc/42/53/01/541425301.db2.gz RVSUYLQJORKULL-AWEZNQCLSA-N 1 0 372.429 2.026 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067398281 541457150 /nfs/dbraw/zinc/45/71/50/541457150.db2.gz RTLDUQBARJXQEQ-JSGCOSHPSA-N 1 0 362.430 2.078 20 5 FEBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067419499 541462073 /nfs/dbraw/zinc/46/20/73/541462073.db2.gz NHKLDBPFNANKJE-HNNXBMFYSA-N 1 0 362.430 2.080 20 5 FEBDRO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628391 541492387 /nfs/dbraw/zinc/49/23/87/541492387.db2.gz QVXHNOCNMVKCBI-YOEHRIQHSA-N 1 0 364.446 2.048 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000067998326 541536935 /nfs/dbraw/zinc/53/69/35/541536935.db2.gz RLJXYEGUJYKEKJ-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068449818 541593693 /nfs/dbraw/zinc/59/36/93/541593693.db2.gz BFUWRJWRLHARMF-UHFFFAOYSA-N 1 0 363.414 2.167 20 5 FEBDRO COc1cc(OCC(=O)NCc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000070782609 541743255 /nfs/dbraw/zinc/74/32/55/541743255.db2.gz XIFBWBHZGILCMD-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO Cc1nn(CCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c(C)c1[N+](=O)[O-] ZINC000071039905 541760229 /nfs/dbraw/zinc/76/02/29/541760229.db2.gz DDPGTIKMOJDAEG-UHFFFAOYSA-N 1 0 355.358 2.018 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000072798238 541866962 /nfs/dbraw/zinc/86/69/62/541866962.db2.gz DHQQXIVUJBIAKI-INIZCTEOSA-N 1 0 374.441 2.181 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072808051 541869715 /nfs/dbraw/zinc/86/97/15/541869715.db2.gz PYYYJXYZFUJNQA-GOEBONIOSA-N 1 0 363.462 2.213 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072823939 541874122 /nfs/dbraw/zinc/87/41/22/541874122.db2.gz ZYZOMDJNRJWHDX-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072858595 541884071 /nfs/dbraw/zinc/88/40/71/541884071.db2.gz NISOCXGQGWLUOJ-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000074136762 542041365 /nfs/dbraw/zinc/04/13/65/542041365.db2.gz UPQCMUNMGPAJMI-HNNXBMFYSA-N 1 0 359.430 2.487 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000076484272 542284460 /nfs/dbraw/zinc/28/44/60/542284460.db2.gz BYWXTIWTSYDTDN-DOMZBBRYSA-N 1 0 363.414 2.168 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076646578 542305141 /nfs/dbraw/zinc/30/51/41/542305141.db2.gz OIECQBMYUQEQIN-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000076751881 542321044 /nfs/dbraw/zinc/32/10/44/542321044.db2.gz OXYZQAYIGGRWKJ-UHFFFAOYSA-N 1 0 360.418 2.300 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078584034 542468937 /nfs/dbraw/zinc/46/89/37/542468937.db2.gz LTUUWMCKLQSZRM-CQSZACIVSA-N 1 0 371.441 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000055281497 221064375 /nfs/dbraw/zinc/06/43/75/221064375.db2.gz FWAITHSDVGNQKR-ZDUSSCGKSA-N 1 0 355.460 2.304 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000065936640 221237883 /nfs/dbraw/zinc/23/78/83/221237883.db2.gz CFNNNAXEJNAJNI-UHFFFAOYSA-N 1 0 365.821 2.035 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCn1cnnc1C1CC1 ZINC000090032140 542781078 /nfs/dbraw/zinc/78/10/78/542781078.db2.gz TVOFVEQZQDZUOO-GFCCVEGCSA-N 1 0 358.402 2.071 20 5 FEBDRO Cc1cccc(NC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000090554385 542785900 /nfs/dbraw/zinc/78/59/00/542785900.db2.gz QFWRKIAKTHKVGX-UHFFFAOYSA-N 1 0 357.414 2.036 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961495 542777455 /nfs/dbraw/zinc/77/74/55/542777455.db2.gz VJPVWEGVYVCSKC-ZWKOTPCHSA-N 1 0 369.421 2.268 20 5 FEBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000089961824 542778628 /nfs/dbraw/zinc/77/86/28/542778628.db2.gz LSWPRIKQNFOSHX-CABCVRRESA-N 1 0 361.423 2.022 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089963368 542779674 /nfs/dbraw/zinc/77/96/74/542779674.db2.gz WDJPRCKQLRMRLC-ZWKOTPCHSA-N 1 0 369.421 2.268 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000104521128 543133172 /nfs/dbraw/zinc/13/31/72/543133172.db2.gz RGLXYZNUQYSMCC-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000104515696 543133500 /nfs/dbraw/zinc/13/35/00/543133500.db2.gz IRPZVTXBNFGQHU-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104532388 543133830 /nfs/dbraw/zinc/13/38/30/543133830.db2.gz XQNPMWQLWGGUOO-AWEZNQCLSA-N 1 0 360.414 2.259 20 5 FEBDRO CC1(C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000104652298 543135945 /nfs/dbraw/zinc/13/59/45/543135945.db2.gz ITNZKMFLFPZYFH-UHFFFAOYSA-N 1 0 371.441 2.304 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN1c1cccnn1 ZINC000106086022 543192959 /nfs/dbraw/zinc/19/29/59/543192959.db2.gz QJFZYSVQLGSTFA-MRXNPFEDSA-N 1 0 357.414 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891519 543253138 /nfs/dbraw/zinc/25/31/38/543253138.db2.gz CBBYUTQGTYXSDQ-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000108304988 543285910 /nfs/dbraw/zinc/28/59/10/543285910.db2.gz IZPIKRNGWZKBQR-CYBMUJFWSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([NH2+]C(C)C)CC1 ZINC000108370778 543287874 /nfs/dbraw/zinc/28/78/74/543287874.db2.gz BMKXHVYASUTUEX-UHFFFAOYSA-N 1 0 364.446 2.394 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000110814727 543369692 /nfs/dbraw/zinc/36/96/92/543369692.db2.gz AOBKWKWLKDBCMJ-UHFFFAOYSA-N 1 0 350.375 2.288 20 5 FEBDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221047 543385873 /nfs/dbraw/zinc/38/58/73/543385873.db2.gz QAUBZJATKIPMQZ-JSGCOSHPSA-N 1 0 358.398 2.378 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000111911553 543425140 /nfs/dbraw/zinc/42/51/40/543425140.db2.gz ZVKBWUZFQQYBIU-CQSZACIVSA-N 1 0 370.409 2.170 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000112620155 543453954 /nfs/dbraw/zinc/45/39/54/543453954.db2.gz IMXDSWAMDMKACH-CYBMUJFWSA-N 1 0 363.414 2.360 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112922700 543468379 /nfs/dbraw/zinc/46/83/79/543468379.db2.gz KENVMGSPEMYING-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112922735 543469153 /nfs/dbraw/zinc/46/91/53/543469153.db2.gz MEEGAQNDVFYXPY-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000113986963 543500326 /nfs/dbraw/zinc/50/03/26/543500326.db2.gz MIKHHZHJANMHBI-KBPBESRZSA-N 1 0 362.430 2.422 20 5 FEBDRO CC[N@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000118119375 543646918 /nfs/dbraw/zinc/64/69/18/543646918.db2.gz LJHKTHJCWTUYDP-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869536 543728369 /nfs/dbraw/zinc/72/83/69/543728369.db2.gz KJLSRYHFMVEZOK-NEPJUHHUSA-N 1 0 351.403 2.167 20 5 FEBDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000123196910 543748070 /nfs/dbraw/zinc/74/80/70/543748070.db2.gz RGSUQLHXLVMQBW-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000124407703 543819086 /nfs/dbraw/zinc/81/90/86/543819086.db2.gz OWVNHCURBOAARH-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO CCC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1CCOC ZINC000128008407 544027302 /nfs/dbraw/zinc/02/73/02/544027302.db2.gz GILUQNNVACPGDN-QGZVFWFLSA-N 1 0 363.458 2.405 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000127549997 544000229 /nfs/dbraw/zinc/00/02/29/544000229.db2.gz ZLVWQBKQCLMPNA-KGLIPLIRSA-N 1 0 350.419 2.442 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@@H+]1C1CC1 ZINC000127614449 544003965 /nfs/dbraw/zinc/00/39/65/544003965.db2.gz LWTVYKQKGABEPT-GJZGRUSLSA-N 1 0 373.457 2.052 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)Cc1ccccc1 ZINC000128245028 544041303 /nfs/dbraw/zinc/04/13/03/544041303.db2.gz AYJSQWNQEFCIOX-OAHLLOKOSA-N 1 0 371.441 2.454 20 5 FEBDRO COc1ccc(-c2ccc(CNC[C@@](C)(O)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000131492584 544191979 /nfs/dbraw/zinc/19/19/79/544191979.db2.gz PSNBSPPNVLEUDV-GOSISDBHSA-N 1 0 363.414 2.266 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000131587968 544197305 /nfs/dbraw/zinc/19/73/05/544197305.db2.gz SQQUUPHRBMFLSW-UHFFFAOYSA-N 1 0 358.398 2.419 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000133637238 544278056 /nfs/dbraw/zinc/27/80/56/544278056.db2.gz XCSSDAPCOMBYNO-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO CNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247505226 549346175 /nfs/dbraw/zinc/34/61/75/549346175.db2.gz IUWDCDGRTLMGIO-DGCLKSJQSA-N 1 0 359.386 2.164 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000135807031 544361564 /nfs/dbraw/zinc/36/15/64/544361564.db2.gz SURNQKAGTWHSBD-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000135998960 544364407 /nfs/dbraw/zinc/36/44/07/544364407.db2.gz SIQDIANEKMRJBG-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136226339 544369200 /nfs/dbraw/zinc/36/92/00/544369200.db2.gz BOUUAEMROFJNMA-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C[NH+]1CCCC1 ZINC000136516792 544374009 /nfs/dbraw/zinc/37/40/09/544374009.db2.gz AGYZKSSQELOPRF-CYBMUJFWSA-N 1 0 367.471 2.141 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151834883 544586260 /nfs/dbraw/zinc/58/62/60/544586260.db2.gz ZKUIOMFKZSPFNZ-HOCLYGCPSA-N 1 0 359.382 2.375 20 5 FEBDRO O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000153880519 544834603 /nfs/dbraw/zinc/83/46/03/544834603.db2.gz CORHVHJEAADZCN-ROUUACIJSA-N 1 0 355.394 2.191 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000154110054 544865489 /nfs/dbraw/zinc/86/54/89/544865489.db2.gz SKPUNDGLPANRLN-ZDUSSCGKSA-N 1 0 367.471 2.405 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cccnc1-n1ccnc1 ZINC000154139574 544869407 /nfs/dbraw/zinc/86/94/07/544869407.db2.gz WDTVCPVFZBWGQB-UHFFFAOYSA-N 1 0 351.366 2.425 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154148716 544870321 /nfs/dbraw/zinc/87/03/21/544870321.db2.gz UOGZQJRHIUGVBG-UHFFFAOYSA-N 1 0 363.462 2.214 20 5 FEBDRO COc1cc(C(=O)NC2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000154198326 544875472 /nfs/dbraw/zinc/87/54/72/544875472.db2.gz LGVDSFMFWUPRBO-UHFFFAOYSA-N 1 0 356.382 2.397 20 5 FEBDRO C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154250988 544881255 /nfs/dbraw/zinc/88/12/55/544881255.db2.gz AETBFCYIRSUSHR-MOPGFXCFSA-N 1 0 360.410 2.138 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000155087472 544987776 /nfs/dbraw/zinc/98/77/76/544987776.db2.gz DRGMVYGFNQVMOF-JSGCOSHPSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000553558023 674270779 /nfs/dbraw/zinc/27/07/79/674270779.db2.gz QJHWJKMJFWHWRV-ZYHUDNBSSA-N 1 0 359.473 2.212 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000179648529 327653095 /nfs/dbraw/zinc/65/30/95/327653095.db2.gz NRRDRSVUVDPRLN-UHFFFAOYSA-N 1 0 353.444 2.159 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184883348 327887302 /nfs/dbraw/zinc/88/73/02/327887302.db2.gz NFUHNYKOSOSXLN-WMZOPIPTSA-N 1 0 363.458 2.127 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000185081092 327898559 /nfs/dbraw/zinc/89/85/59/327898559.db2.gz YDTRTCUMJBTWJE-UHFFFAOYSA-N 1 0 372.425 2.288 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186946984 327992515 /nfs/dbraw/zinc/99/25/15/327992515.db2.gz XTQADFKEJZDLPW-CHWSQXEVSA-N 1 0 350.419 2.183 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1F ZINC000187890280 328053047 /nfs/dbraw/zinc/05/30/47/328053047.db2.gz WJLQDOHLWJDDFC-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023983 328061089 /nfs/dbraw/zinc/06/10/89/328061089.db2.gz BSFQBLSDCBQJBX-SJCJKPOMSA-N 1 0 351.403 2.025 20 5 FEBDRO CSc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000188254853 328076084 /nfs/dbraw/zinc/07/60/84/328076084.db2.gz ZADDLNMXBMISJI-ZDUSSCGKSA-N 1 0 367.471 2.283 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189131576 328130413 /nfs/dbraw/zinc/13/04/13/328130413.db2.gz WHEXRGJIUOEINX-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000189159368 328132493 /nfs/dbraw/zinc/13/24/93/328132493.db2.gz SSOLIVISXPAWIT-CYBMUJFWSA-N 1 0 364.423 2.212 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000189382542 328144426 /nfs/dbraw/zinc/14/44/26/328144426.db2.gz KXIWEMDNVLYJJL-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000189880829 328173158 /nfs/dbraw/zinc/17/31/58/328173158.db2.gz FLYXANVQEVOHCD-OAHLLOKOSA-N 1 0 351.447 2.141 20 5 FEBDRO COc1ccnc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1OC ZINC000190383695 328204504 /nfs/dbraw/zinc/20/45/04/328204504.db2.gz LFKRURVDCCWCTQ-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201350 328253896 /nfs/dbraw/zinc/25/38/96/328253896.db2.gz QLXOSSODZBHFSB-XPKDYRNWSA-N 1 0 372.381 2.418 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)c2nn(CC)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000191759908 328280380 /nfs/dbraw/zinc/28/03/80/328280380.db2.gz IWKKRBVSMRGTMH-OAHLLOKOSA-N 1 0 359.430 2.406 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191995633 328292340 /nfs/dbraw/zinc/29/23/40/328292340.db2.gz BVXCYSAEDJQOAO-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000192061991 328297788 /nfs/dbraw/zinc/29/77/88/328297788.db2.gz YYJUGOISSFARBA-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO CN1C(=O)C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192152391 328303128 /nfs/dbraw/zinc/30/31/28/328303128.db2.gz RXDKQCYFMJLUNC-CJNGLKHVSA-N 1 0 363.805 2.006 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192380044 328316684 /nfs/dbraw/zinc/31/66/84/328316684.db2.gz MOTQHXSRMRLTRX-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000192498388 328322443 /nfs/dbraw/zinc/32/24/43/328322443.db2.gz KKWRDPLVQCGGEI-UHFFFAOYSA-N 1 0 372.473 2.479 20 5 FEBDRO CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000192697747 328333602 /nfs/dbraw/zinc/33/36/02/328333602.db2.gz ZKXQKDSSXRNXMW-LBPRGKRZSA-N 1 0 351.403 2.491 20 5 FEBDRO CCN(CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000192708212 328334442 /nfs/dbraw/zinc/33/44/42/328334442.db2.gz SGDHYJHOSZBDBV-MRXNPFEDSA-N 1 0 355.460 2.233 20 5 FEBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135932 328359189 /nfs/dbraw/zinc/35/91/89/328359189.db2.gz IFQJQQKXEUCPNR-QWHCGFSZSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000193216180 328362899 /nfs/dbraw/zinc/36/28/99/328362899.db2.gz UXMXTLJYLXDZIT-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000193814401 328396854 /nfs/dbraw/zinc/39/68/54/328396854.db2.gz XSDSUVFGYBCKIZ-UHFFFAOYSA-N 1 0 370.409 2.254 20 5 FEBDRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194281350 328417901 /nfs/dbraw/zinc/41/79/01/328417901.db2.gz XYVFPXIEROCDGS-WBAXXEDZSA-N 1 0 358.442 2.164 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000236767350 328493886 /nfs/dbraw/zinc/49/38/86/328493886.db2.gz FDHUJAOZEJMOCU-HNNXBMFYSA-N 1 0 363.414 2.093 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236870210 328496803 /nfs/dbraw/zinc/49/68/03/328496803.db2.gz HDMVGYDLAHPOPD-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Nc1c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000058497529 324838366 /nfs/dbraw/zinc/83/83/66/324838366.db2.gz GHDONVHHWFEUAB-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000065792383 324879904 /nfs/dbraw/zinc/87/99/04/324879904.db2.gz BNRLZXOHMGSIAY-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000078562975 325052017 /nfs/dbraw/zinc/05/20/17/325052017.db2.gz PYMDLJCPDSKZJQ-ZDUSSCGKSA-N 1 0 350.419 2.335 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000078655253 325056573 /nfs/dbraw/zinc/05/65/73/325056573.db2.gz RKIPXDMVTNEXRF-QGZVFWFLSA-N 1 0 370.409 2.261 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000081335249 325170565 /nfs/dbraw/zinc/17/05/65/325170565.db2.gz ZRYQKCWPPVGZKJ-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000081335250 325170641 /nfs/dbraw/zinc/17/06/41/325170641.db2.gz ZRYQKCWPPVGZKJ-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237633595 328522960 /nfs/dbraw/zinc/52/29/60/328522960.db2.gz SLPPSMIHFLSCCS-IONNQARKSA-N 1 0 368.242 2.402 20 5 FEBDRO C[C@]([NH3+])(C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237658734 328523948 /nfs/dbraw/zinc/52/39/48/328523948.db2.gz TTYULLLPMMOGOB-LJQANCHMSA-N 1 0 354.410 2.118 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087330022 325280206 /nfs/dbraw/zinc/28/02/06/325280206.db2.gz NFEGGVYOIQQCSR-UHFFFAOYSA-N 1 0 362.474 2.061 20 5 FEBDRO [NH3+]C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237856956 328531835 /nfs/dbraw/zinc/53/18/35/328531835.db2.gz YGIGWCKCHPHOML-SNVBAGLBSA-N 1 0 356.220 2.097 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC000090015313 325351456 /nfs/dbraw/zinc/35/14/56/325351456.db2.gz YEUDVZUMLLXCOX-HNNXBMFYSA-N 1 0 361.423 2.150 20 5 FEBDRO CCc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015414 325351496 /nfs/dbraw/zinc/35/14/96/325351496.db2.gz JKKOOPYJDYKZOR-GFCCVEGCSA-N 1 0 367.427 2.379 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000090015444 325351594 /nfs/dbraw/zinc/35/15/94/325351594.db2.gz DQCUJLSJTWFUCW-LLVKDONJSA-N 1 0 355.441 2.285 20 5 FEBDRO COc1cc(C)c(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000090511464 325361754 /nfs/dbraw/zinc/36/17/54/325361754.db2.gz AYRJMLBVHDXQPR-UHFFFAOYSA-N 1 0 361.398 2.214 20 5 FEBDRO [NH3+][C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000237973194 328536264 /nfs/dbraw/zinc/53/62/64/328536264.db2.gz UWFANIBJHFPOTC-NSHDSACASA-N 1 0 360.336 2.269 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)NCc1cccnc1 ZINC000101595560 325474384 /nfs/dbraw/zinc/47/43/84/325474384.db2.gz LTCZIEOBGXIWKS-UHFFFAOYSA-N 1 0 358.398 2.185 20 5 FEBDRO COC(=O)c1cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000104528556 325540152 /nfs/dbraw/zinc/54/01/52/325540152.db2.gz ODXNKRYECKEULA-UHFFFAOYSA-N 1 0 351.403 2.041 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000114398949 325889721 /nfs/dbraw/zinc/88/97/21/325889721.db2.gz GRYUHQZBFUVNBU-GFCCVEGCSA-N 1 0 350.375 2.144 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722934 326098739 /nfs/dbraw/zinc/09/87/39/326098739.db2.gz OLHCTCNWSSBMHK-CYBMUJFWSA-N 1 0 367.471 2.038 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842885 326107036 /nfs/dbraw/zinc/10/70/36/326107036.db2.gz KVAHPRHGAYZBJG-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121184148 326319891 /nfs/dbraw/zinc/31/98/91/326319891.db2.gz LXBYZKTWJKNMKA-DYVFJYSZSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000122388789 326394805 /nfs/dbraw/zinc/39/48/05/326394805.db2.gz MUSIXMJEYFMABT-GDBMZVCRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000122419393 326396193 /nfs/dbraw/zinc/39/61/93/326396193.db2.gz LZMCEGAXOILMAG-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000128618082 326526992 /nfs/dbraw/zinc/52/69/92/326526992.db2.gz XIJWIBOWNYYCSR-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000129100932 326534656 /nfs/dbraw/zinc/53/46/56/326534656.db2.gz LJXKCNHYIDPESQ-PMPSAXMXSA-N 1 0 360.414 2.305 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000131005195 326567144 /nfs/dbraw/zinc/56/71/44/326567144.db2.gz GMCGZNIUQWFARA-PBWFPOADSA-N 1 0 353.444 2.115 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000136882087 326656228 /nfs/dbraw/zinc/65/62/28/326656228.db2.gz OLKZCAAGZKXJNL-FQEVSTJZSA-N 1 0 355.438 2.489 20 5 FEBDRO C[C@](C[NH3+])(NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000154871372 326771286 /nfs/dbraw/zinc/77/12/86/326771286.db2.gz SUOYCTVMNBTKLY-CQSZACIVSA-N 1 0 356.220 2.143 20 5 FEBDRO Cc1nc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000156924817 326848567 /nfs/dbraw/zinc/84/85/67/326848567.db2.gz GZCWZVOSBAOCPF-UHFFFAOYSA-N 1 0 359.386 2.494 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160197304 326956939 /nfs/dbraw/zinc/95/69/39/326956939.db2.gz MGAWHKWTXPVURZ-QZTJIDSGSA-N 1 0 361.442 2.401 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160606651 326971178 /nfs/dbraw/zinc/97/11/78/326971178.db2.gz NRWIFOYZSUXIPW-WBVHZDCISA-N 1 0 365.405 2.232 20 5 FEBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000161385446 326997897 /nfs/dbraw/zinc/99/78/97/326997897.db2.gz ZRPVKSLKGHFWBI-KRWDZBQOSA-N 1 0 356.426 2.296 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000163378997 327049909 /nfs/dbraw/zinc/04/99/09/327049909.db2.gz OBAXFFQDESERQJ-LJQANCHMSA-N 1 0 371.441 2.421 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000163744651 327057800 /nfs/dbraw/zinc/05/78/00/327057800.db2.gz CJAMINVGRPEARZ-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000164278515 327067804 /nfs/dbraw/zinc/06/78/04/327067804.db2.gz HIYWQJNLIBSUAM-MRXNPFEDSA-N 1 0 370.457 2.166 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000164721700 327073854 /nfs/dbraw/zinc/07/38/54/327073854.db2.gz RYXDVMVTWKIRAL-KRWDZBQOSA-N 1 0 373.409 2.077 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CCO1 ZINC000170639717 327089875 /nfs/dbraw/zinc/08/98/75/327089875.db2.gz GKKGRNMJOLATPE-CYBMUJFWSA-N 1 0 374.441 2.169 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000170743555 327096472 /nfs/dbraw/zinc/09/64/72/327096472.db2.gz JUZLPDFNYXESHF-CQSZACIVSA-N 1 0 362.430 2.102 20 5 FEBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000173181568 327239696 /nfs/dbraw/zinc/23/96/96/327239696.db2.gz UHJUHRJTXJQJFZ-HNNXBMFYSA-N 1 0 361.442 2.287 20 5 FEBDRO COc1cccc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173594465 327269750 /nfs/dbraw/zinc/26/97/50/327269750.db2.gz MOSKDQVMRKOPIB-KRWDZBQOSA-N 1 0 360.414 2.040 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173630987 327272535 /nfs/dbraw/zinc/27/25/35/327272535.db2.gz CSNNGGISJDVOQL-INIZCTEOSA-N 1 0 367.471 2.232 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000173677521 327276070 /nfs/dbraw/zinc/27/60/70/327276070.db2.gz FBJOPLRHYIZSEC-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173955754 327297565 /nfs/dbraw/zinc/29/75/65/327297565.db2.gz VENCNZXVNWVJEQ-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000174117422 327307293 /nfs/dbraw/zinc/30/72/93/327307293.db2.gz IFOOFSWETZPWAZ-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000174883627 327357896 /nfs/dbraw/zinc/35/78/96/327357896.db2.gz KPZKFQSLRLCJPQ-GOSISDBHSA-N 1 0 362.474 2.205 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000176897320 327482826 /nfs/dbraw/zinc/48/28/26/327482826.db2.gz KNCHWCQMBFJHDN-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178013176 327558806 /nfs/dbraw/zinc/55/88/06/327558806.db2.gz YSOPVYZVGFYLPC-ZYHUDNBSSA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246378713 328612534 /nfs/dbraw/zinc/61/25/34/328612534.db2.gz NEGXEEHPPPKMLY-RYUDHWBXSA-N 1 0 354.838 2.459 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000262314843 328858539 /nfs/dbraw/zinc/85/85/39/328858539.db2.gz POUDRBUJTGWUBT-OAHLLOKOSA-N 1 0 361.423 2.069 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000262901571 328898779 /nfs/dbraw/zinc/89/87/79/328898779.db2.gz PSBVZURKDIFBRF-MWLCHTKSSA-N 1 0 356.220 2.157 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000264926079 329075239 /nfs/dbraw/zinc/07/52/39/329075239.db2.gz LUZZJUQSBWMEDJ-UHFFFAOYSA-N 1 0 358.398 2.405 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000265155622 329097167 /nfs/dbraw/zinc/09/71/67/329097167.db2.gz UQMFKWQMSRNCMJ-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265515440 329134984 /nfs/dbraw/zinc/13/49/84/329134984.db2.gz LDEWCXDNBCGEPO-CYBMUJFWSA-N 1 0 372.425 2.307 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266046295 329184856 /nfs/dbraw/zinc/18/48/56/329184856.db2.gz XSNOBMPVKOEAKU-MRXNPFEDSA-N 1 0 350.415 2.227 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266158389 329195960 /nfs/dbraw/zinc/19/59/60/329195960.db2.gz ONVRBDWCLNGTDX-HNNXBMFYSA-N 1 0 363.414 2.119 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000266818019 329262534 /nfs/dbraw/zinc/26/25/34/329262534.db2.gz XIABUWWWCQTWIJ-TZMCWYRMSA-N 1 0 350.419 2.228 20 5 FEBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068657 329288740 /nfs/dbraw/zinc/28/87/40/329288740.db2.gz VHSBLCCSNCRHKI-JSGCOSHPSA-N 1 0 353.394 2.097 20 5 FEBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])c1OC ZINC000267241927 329306005 /nfs/dbraw/zinc/30/60/05/329306005.db2.gz KPOOVMWDSDYBJV-UHFFFAOYSA-N 1 0 360.370 2.321 20 5 FEBDRO CC(C)(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000267396208 329322758 /nfs/dbraw/zinc/32/27/58/329322758.db2.gz RHGQXZSPAULQLX-HNNXBMFYSA-N 1 0 361.442 2.053 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC(C)(C)[NH2+]C)c([N+](=O)[O-])c1 ZINC000269951699 329562954 /nfs/dbraw/zinc/56/29/54/329562954.db2.gz JHLMMDCTIABNQV-UHFFFAOYSA-N 1 0 358.464 2.035 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000270756778 329628701 /nfs/dbraw/zinc/62/87/01/329628701.db2.gz KVYMKFGUPRDDNB-LBPRGKRZSA-N 1 0 351.432 2.203 20 5 FEBDRO CC(=O)NCC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271153739 329667338 /nfs/dbraw/zinc/66/73/38/329667338.db2.gz VJHCOQIWSWZRFZ-UHFFFAOYSA-N 1 0 371.441 2.343 20 5 FEBDRO COCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273308420 329854571 /nfs/dbraw/zinc/85/45/71/329854571.db2.gz TUXICYZIBCTGOZ-KGLIPLIRSA-N 1 0 350.371 2.295 20 5 FEBDRO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458542 329866408 /nfs/dbraw/zinc/86/64/08/329866408.db2.gz QDEUPOFBJVEGTN-CABCVRRESA-N 1 0 356.444 2.162 20 5 FEBDRO COc1ccc(NC(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000273630372 329880255 /nfs/dbraw/zinc/88/02/55/329880255.db2.gz QEXUPSCNYRHBHY-OCCSQVGLSA-N 1 0 354.432 2.113 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275131091 330013602 /nfs/dbraw/zinc/01/36/02/330013602.db2.gz OOGXDPHZBXPBHV-HUUCEWRRSA-N 1 0 353.419 2.386 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275259625 330027611 /nfs/dbraw/zinc/02/76/11/330027611.db2.gz HZKFEPOTXSFNJR-CYBMUJFWSA-N 1 0 372.429 2.108 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000275449586 330049878 /nfs/dbraw/zinc/04/98/78/330049878.db2.gz NNVKFBRMXSTSMI-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1CC(C)(C)O ZINC000275571061 330064912 /nfs/dbraw/zinc/06/49/12/330064912.db2.gz JMOBNRIAXKHZEA-GFCCVEGCSA-N 1 0 361.398 2.258 20 5 FEBDRO COc1cc(C[NH2+]C2CCN(c3cc(C)[nH]n3)CC2)c([N+](=O)[O-])cc1O ZINC000275774764 330087156 /nfs/dbraw/zinc/08/71/56/330087156.db2.gz AYZCFEYLXNWPBA-UHFFFAOYSA-N 1 0 361.402 2.099 20 5 FEBDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000276401156 330148914 /nfs/dbraw/zinc/14/89/14/330148914.db2.gz DCPSCKUOBVPOIL-JTQLQIEISA-N 1 0 360.395 2.043 20 5 FEBDRO COc1ccc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000367232649 330233838 /nfs/dbraw/zinc/23/38/38/330233838.db2.gz WTGMTEZLARCYNC-OAHLLOKOSA-N 1 0 371.393 2.333 20 5 FEBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)CC1 ZINC000367259710 330237193 /nfs/dbraw/zinc/23/71/93/330237193.db2.gz XOKIKLJVPKXTQA-UHFFFAOYSA-N 1 0 350.394 2.264 20 5 FEBDRO CC(C)C[C@@H](C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000554877037 674339525 /nfs/dbraw/zinc/33/95/25/674339525.db2.gz DLGTVLLXXCIQAF-CYBMUJFWSA-N 1 0 357.476 2.446 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000130476466 518182085 /nfs/dbraw/zinc/18/20/85/518182085.db2.gz DCCYEMWOPQTDII-IJLUTSLNSA-N 1 0 361.489 2.301 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C(C1CCC1)C1CCC1 ZINC000555234327 674352703 /nfs/dbraw/zinc/35/27/03/674352703.db2.gz NOHNQQIWXBRFFQ-UHFFFAOYSA-N 1 0 367.471 2.432 20 5 FEBDRO Cc1sccc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000555530313 674365037 /nfs/dbraw/zinc/36/50/37/674365037.db2.gz MMXKPRPODQVZNH-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155580106 545545658 /nfs/dbraw/zinc/54/56/58/545545658.db2.gz BOHPKWISTYWBHB-CXAGYDPISA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155778453 545569496 /nfs/dbraw/zinc/56/94/96/545569496.db2.gz OVVDSQWRNRZLHM-RBSFLKMASA-N 1 0 369.487 2.381 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156547723 545634800 /nfs/dbraw/zinc/63/48/00/545634800.db2.gz SGAHHYFCFUHKHK-HFTRVMKXSA-N 1 0 360.414 2.114 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000157306228 545725659 /nfs/dbraw/zinc/72/56/59/545725659.db2.gz OYCGNFITTNSCCM-KDOFPFPSSA-N 1 0 369.425 2.337 20 5 FEBDRO COc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000477962487 561157170 /nfs/dbraw/zinc/15/71/70/561157170.db2.gz HACNDVLBYVKWHP-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158600486 545875223 /nfs/dbraw/zinc/87/52/23/545875223.db2.gz WVHUNTWEXQNUMY-CYBMUJFWSA-N 1 0 353.444 2.232 20 5 FEBDRO NC(=O)c1ccc(CN2CCO[C@]3(CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000158728139 545890104 /nfs/dbraw/zinc/89/01/04/545890104.db2.gz OCJWXGWKAATBBG-HXUWFJFHSA-N 1 0 367.405 2.368 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000158965112 545909188 /nfs/dbraw/zinc/90/91/88/545909188.db2.gz ZVWFJLBUQKGCGD-OAHLLOKOSA-N 1 0 367.471 2.074 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000478401563 561165897 /nfs/dbraw/zinc/16/58/97/561165897.db2.gz RBCSEPVZKCLPPJ-MSOLQXFVSA-N 1 0 355.394 2.188 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cc2)CC1 ZINC000161345711 546122348 /nfs/dbraw/zinc/12/23/48/546122348.db2.gz KXDLHFHENOPVNB-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175903835 546368811 /nfs/dbraw/zinc/36/88/11/546368811.db2.gz ZTRSCKHNRXRZGV-CABCVRRESA-N 1 0 362.430 2.020 20 5 FEBDRO CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000175953603 546378557 /nfs/dbraw/zinc/37/85/57/546378557.db2.gz DEKDGGGEKGFVNI-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000480084278 561202625 /nfs/dbraw/zinc/20/26/25/561202625.db2.gz JZSXUONOFPSENK-HNNXBMFYSA-N 1 0 351.451 2.201 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000176939489 546511983 /nfs/dbraw/zinc/51/19/83/546511983.db2.gz JXKZGRUVKYFDSL-UHFFFAOYSA-N 1 0 371.434 2.419 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1C1CC1 ZINC000177095897 546544030 /nfs/dbraw/zinc/54/40/30/546544030.db2.gz KUSLEMWKRRGWPP-OLZOCXBDSA-N 1 0 355.398 2.136 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000481224234 561228299 /nfs/dbraw/zinc/22/82/99/561228299.db2.gz GRQADUBCKRAVAB-UHFFFAOYSA-N 1 0 365.393 2.001 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000481362627 561231570 /nfs/dbraw/zinc/23/15/70/561231570.db2.gz GLWPYZHSXRDKIE-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000481449527 561233129 /nfs/dbraw/zinc/23/31/29/561233129.db2.gz XBTOQEBSTDWLKP-INIZCTEOSA-N 1 0 351.403 2.289 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745295 561240603 /nfs/dbraw/zinc/24/06/03/561240603.db2.gz CHFYAHMSRNZIFD-HOCLYGCPSA-N 1 0 352.387 2.016 20 5 FEBDRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000179361740 546940408 /nfs/dbraw/zinc/94/04/08/546940408.db2.gz HYAGEXRTIAZZSP-MRXNPFEDSA-N 1 0 365.430 2.359 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180410268 547104006 /nfs/dbraw/zinc/10/40/06/547104006.db2.gz RNPAHYMQHKFQDY-KBPBESRZSA-N 1 0 374.441 2.303 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccsc1 ZINC000180528831 547124931 /nfs/dbraw/zinc/12/49/31/547124931.db2.gz RAJCCKNJRDZMBW-CQSZACIVSA-N 1 0 363.443 2.446 20 5 FEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000181039202 547236727 /nfs/dbraw/zinc/23/67/27/547236727.db2.gz QGUZTIGFFDPDNK-UHFFFAOYSA-N 1 0 372.425 2.438 20 5 FEBDRO C[C@@H](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182252137 547461100 /nfs/dbraw/zinc/46/11/00/547461100.db2.gz VKBZDHKKZQRFLG-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182299623 547470179 /nfs/dbraw/zinc/47/01/79/547470179.db2.gz ZKMBZPBKWPWOAR-CJNGLKHVSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc([C@H](CCO)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182400008 547486600 /nfs/dbraw/zinc/48/66/00/547486600.db2.gz PENNIIANHQXBDC-SFHVURJKSA-N 1 0 373.409 2.280 20 5 FEBDRO Cc1c(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000483827647 561284738 /nfs/dbraw/zinc/28/47/38/561284738.db2.gz YVFXQCMRHDTDHG-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182984407 547583586 /nfs/dbraw/zinc/58/35/86/547583586.db2.gz HDPRVYLQRCHLAL-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@H](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183295218 547634405 /nfs/dbraw/zinc/63/44/05/547634405.db2.gz XOGMVJVBGRMFDM-OAHLLOKOSA-N 1 0 369.487 2.321 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000183487218 547669567 /nfs/dbraw/zinc/66/95/67/547669567.db2.gz JTCYUWIUWJZLEU-LLVKDONJSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000484647323 561302124 /nfs/dbraw/zinc/30/21/24/561302124.db2.gz BVCMFMZOUBNRAE-YQVWRLOYSA-N 1 0 374.441 2.440 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183896842 547735123 /nfs/dbraw/zinc/73/51/23/547735123.db2.gz HDYQGTCVRHPZAG-KGLIPLIRSA-N 1 0 363.414 2.397 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184482963 547834639 /nfs/dbraw/zinc/83/46/39/547834639.db2.gz DDVLJOKMLDPCAW-HNNXBMFYSA-N 1 0 355.460 2.279 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)CN1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000184607467 547853650 /nfs/dbraw/zinc/85/36/50/547853650.db2.gz TTXJTWCSUXRDJN-IBGZPJMESA-N 1 0 368.437 2.376 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000184733903 547871619 /nfs/dbraw/zinc/87/16/19/547871619.db2.gz RFOZKWAVNNPNNL-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000184913801 547899154 /nfs/dbraw/zinc/89/91/54/547899154.db2.gz OQMCGUCTGBTBCI-HZMBPMFUSA-N 1 0 359.423 2.003 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185099024 547932870 /nfs/dbraw/zinc/93/28/70/547932870.db2.gz URMZTCBZFGEIGT-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000185328127 547971194 /nfs/dbraw/zinc/97/11/94/547971194.db2.gz OHDCABWEBJIMIR-QGZVFWFLSA-N 1 0 371.441 2.127 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186311865 548116980 /nfs/dbraw/zinc/11/69/80/548116980.db2.gz IOOCNMRDDMDYDO-UHFFFAOYSA-N 1 0 355.460 2.088 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000186337899 548121417 /nfs/dbraw/zinc/12/14/17/548121417.db2.gz LHGUBLWSLZGDLB-FOCLMDBBSA-N 1 0 374.485 2.483 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186433367 548133688 /nfs/dbraw/zinc/13/36/88/548133688.db2.gz RNKPGMFANSCGGU-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095803 561338037 /nfs/dbraw/zinc/33/80/37/561338037.db2.gz XTJSNQQBTPNNAO-YEWWUXTCSA-N 1 0 368.430 2.465 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000486201215 561340892 /nfs/dbraw/zinc/34/08/92/561340892.db2.gz YVSXJZSJZXGHKP-UHFFFAOYSA-N 1 0 371.384 2.033 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000193989533 548418258 /nfs/dbraw/zinc/41/82/58/548418258.db2.gz VLGISGWEUJXKPZ-MRXNPFEDSA-N 1 0 370.409 2.432 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000194332840 548467770 /nfs/dbraw/zinc/46/77/70/548467770.db2.gz FRDFLWANSBJVEY-UHFFFAOYSA-N 1 0 371.441 2.005 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195215863 548597090 /nfs/dbraw/zinc/59/70/90/548597090.db2.gz WNCDAWFTQCBUBG-PHIMTYICSA-N 1 0 372.347 2.093 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000195457944 548643309 /nfs/dbraw/zinc/64/33/09/548643309.db2.gz XRWYMHNUDAEQMU-OKILXGFUSA-N 1 0 366.487 2.287 20 5 FEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1Br ZINC000236567448 548766704 /nfs/dbraw/zinc/76/67/04/548766704.db2.gz DRISHRJWOMSEEL-JTQLQIEISA-N 1 0 356.220 2.477 20 5 FEBDRO CC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000237055711 548796585 /nfs/dbraw/zinc/79/65/85/548796585.db2.gz PRHNKRJASAHNOO-UONOGXRCSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000237058455 548797007 /nfs/dbraw/zinc/79/70/07/548797007.db2.gz PRHNKRJASAHNOO-KBPBESRZSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237216226 548809012 /nfs/dbraw/zinc/80/90/12/548809012.db2.gz OYBYOTRWKCSXQX-KGLIPLIRSA-N 1 0 367.471 2.470 20 5 FEBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237598250 548837866 /nfs/dbraw/zinc/83/78/66/548837866.db2.gz CYVQGIPYFDVQFQ-GXSJLCMTSA-N 1 0 356.220 2.238 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237638951 548841815 /nfs/dbraw/zinc/84/18/15/548841815.db2.gz CZUQKQGSIWKEMO-IAGOWNOFSA-N 1 0 371.441 2.314 20 5 FEBDRO O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000238045500 548875023 /nfs/dbraw/zinc/87/50/23/548875023.db2.gz XLMCLXSKTBBEHN-UHFFFAOYSA-N 1 0 359.338 2.349 20 5 FEBDRO CN1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644497 548964631 /nfs/dbraw/zinc/96/46/31/548964631.db2.gz LFKUIUVBCGSMED-RHSMWYFYSA-N 1 0 361.423 2.319 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488057186 561382397 /nfs/dbraw/zinc/38/23/97/561382397.db2.gz VWZUXTRTONWVFL-KRWDZBQOSA-N 1 0 364.446 2.204 20 5 FEBDRO COCCO[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245810629 548997238 /nfs/dbraw/zinc/99/72/38/548997238.db2.gz CHUQYYOSDXLKJP-CZUORRHYSA-N 1 0 351.403 2.049 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000246028507 549039088 /nfs/dbraw/zinc/03/90/88/549039088.db2.gz AAKBMMJSKXQFMR-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246102697 549052096 /nfs/dbraw/zinc/05/20/96/549052096.db2.gz LSSXDMDXXVFDCZ-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246215670 549080550 /nfs/dbraw/zinc/08/05/50/549080550.db2.gz POTRJMKWTZFGRQ-OLZOCXBDSA-N 1 0 373.862 2.496 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246691596 549189735 /nfs/dbraw/zinc/18/97/35/549189735.db2.gz DCFCOTVZLVMVEN-XJKSGUPXSA-N 1 0 364.446 2.044 20 5 FEBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805529 561397339 /nfs/dbraw/zinc/39/73/39/561397339.db2.gz XTPLLVJRHHCTFG-MAUKXSAKSA-N 1 0 360.414 2.170 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246782781 549211252 /nfs/dbraw/zinc/21/12/52/549211252.db2.gz BFWXHMQXSJPWCF-PWSUYJOCSA-N 1 0 373.862 2.414 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000248748758 549496027 /nfs/dbraw/zinc/49/60/27/549496027.db2.gz SLGXNKIHMPEAQW-XLIONFOSSA-N 1 0 370.405 2.466 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249144321 549560044 /nfs/dbraw/zinc/56/00/44/549560044.db2.gz XAFVXYIZXUSSHW-ZIAGYGMSSA-N 1 0 364.446 2.142 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253554166 549695503 /nfs/dbraw/zinc/69/55/03/549695503.db2.gz LOZJPRUKKXGXKT-SJCJKPOMSA-N 1 0 370.409 2.405 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261619046 549734852 /nfs/dbraw/zinc/73/48/52/549734852.db2.gz HJYVDATWJQUOMC-PHDAOHEYSA-N 1 0 369.425 2.416 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000261818101 549759034 /nfs/dbraw/zinc/75/90/34/549759034.db2.gz WKWDKAAMTLRUTJ-GWCFXTLKSA-N 1 0 361.851 2.447 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261878252 549764736 /nfs/dbraw/zinc/76/47/36/549764736.db2.gz TURWYVORNFWZDN-RWMBFGLXSA-N 1 0 367.833 2.474 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262139031 549791867 /nfs/dbraw/zinc/79/18/67/549791867.db2.gz XAOUWHUGEXXQDO-INIZCTEOSA-N 1 0 353.444 2.034 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262843513 549855023 /nfs/dbraw/zinc/85/50/23/549855023.db2.gz UFLYOHUBWKDLRK-KRWDZBQOSA-N 1 0 371.441 2.469 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263717290 549925215 /nfs/dbraw/zinc/92/52/15/549925215.db2.gz NXIZICXUHOKMID-GOSISDBHSA-N 1 0 371.441 2.498 20 5 FEBDRO O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269155740 550162078 /nfs/dbraw/zinc/16/20/78/550162078.db2.gz UZJNQPXVTBMPRE-LLVKDONJSA-N 1 0 358.354 2.084 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000493837147 561458446 /nfs/dbraw/zinc/45/84/46/561458446.db2.gz AXWJHAKEKADGRB-UHFFFAOYSA-N 1 0 371.441 2.402 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000270283918 550259232 /nfs/dbraw/zinc/25/92/32/550259232.db2.gz XGBQUIBPESCJSU-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270658172 550293816 /nfs/dbraw/zinc/29/38/16/550293816.db2.gz NFAGLNJABQAYSE-HNNXBMFYSA-N 1 0 361.398 2.308 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000270826237 550311179 /nfs/dbraw/zinc/31/11/79/550311179.db2.gz BZXJFKNDNVWGND-UHFFFAOYSA-N 1 0 366.487 2.287 20 5 FEBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000270929694 550322090 /nfs/dbraw/zinc/32/20/90/550322090.db2.gz DYLBIRCBKAAHMI-GFCCVEGCSA-N 1 0 355.822 2.175 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270998553 550330185 /nfs/dbraw/zinc/33/01/85/550330185.db2.gz VQCMSKCYMMUKNS-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO COCCCOCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000271500198 550380243 /nfs/dbraw/zinc/38/02/43/550380243.db2.gz DAYXYNNGGOPDEL-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(OC)CC1 ZINC000271709635 550396722 /nfs/dbraw/zinc/39/67/22/550396722.db2.gz ITFKCEUTGFEYNK-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272698257 550465726 /nfs/dbraw/zinc/46/57/26/550465726.db2.gz YEYNZGRDEPRWBH-KSSFIOAISA-N 1 0 358.442 2.361 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273119499 550485880 /nfs/dbraw/zinc/48/58/80/550485880.db2.gz HEMUOTBXGNMIOF-DEYYWGMASA-N 1 0 366.414 2.046 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273673112 550507569 /nfs/dbraw/zinc/50/75/69/550507569.db2.gz ZPOZIFMPRYNALA-BRWVUGGUSA-N 1 0 352.387 2.125 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276758395 550592766 /nfs/dbraw/zinc/59/27/66/550592766.db2.gz IZESNISQSJEOHF-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277073317 550628833 /nfs/dbraw/zinc/62/88/33/550628833.db2.gz SNKGHHKHKJSLJN-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CCNC(=O)C1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000277279220 550651178 /nfs/dbraw/zinc/65/11/78/550651178.db2.gz QLAWULVJIUIBIA-ZDUSSCGKSA-N 1 0 362.430 2.208 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000277294434 550652757 /nfs/dbraw/zinc/65/27/57/550652757.db2.gz OMYWTQCAMRHHGU-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277681021 550700733 /nfs/dbraw/zinc/70/07/33/550700733.db2.gz FOWUQFGTRCXAJD-LBPRGKRZSA-N 1 0 360.418 2.145 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000278289279 550769469 /nfs/dbraw/zinc/76/94/69/550769469.db2.gz PRUVFNWDYYYXKY-PSASIEDQSA-N 1 0 359.329 2.075 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278367820 550778105 /nfs/dbraw/zinc/77/81/05/550778105.db2.gz KVXBLLFXWDPXCS-UHFFFAOYSA-N 1 0 362.430 2.250 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497350 550792398 /nfs/dbraw/zinc/79/23/98/550792398.db2.gz WIKNCQLJLBLGNO-AWEZNQCLSA-N 1 0 357.414 2.227 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278703749 550813367 /nfs/dbraw/zinc/81/33/67/550813367.db2.gz NZBQTZIIFDSUOS-UHFFFAOYSA-N 1 0 374.445 2.489 20 5 FEBDRO Cc1sc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278865993 550830412 /nfs/dbraw/zinc/83/04/12/550830412.db2.gz NSLCLRMTLJHIEM-NSHDSACASA-N 1 0 353.444 2.290 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107598 550854796 /nfs/dbraw/zinc/85/47/96/550854796.db2.gz BMLPXJHCNWBXRF-SWLSCSKDSA-N 1 0 364.421 2.356 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000279236776 550868108 /nfs/dbraw/zinc/86/81/08/550868108.db2.gz FKVJHQLOIGQWRG-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279664802 550914260 /nfs/dbraw/zinc/91/42/60/550914260.db2.gz DGBMRAHWCUMUBF-HNNXBMFYSA-N 1 0 374.441 2.445 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000279717092 550920768 /nfs/dbraw/zinc/92/07/68/550920768.db2.gz UDCKDJKOJZVCLC-HIFRSBDPSA-N 1 0 352.456 2.473 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCc3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000280181269 550968621 /nfs/dbraw/zinc/96/86/21/550968621.db2.gz HCOLSFLDMNPYTR-UHFFFAOYSA-N 1 0 359.430 2.092 20 5 FEBDRO CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000495713776 561490392 /nfs/dbraw/zinc/49/03/92/561490392.db2.gz RXVMDWNUCWCWIS-HUUCEWRRSA-N 1 0 351.472 2.376 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000280977880 551051310 /nfs/dbraw/zinc/05/13/10/551051310.db2.gz LTGYWGJFGRMXAK-HNNXBMFYSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cccc1[N+](=O)[O-] ZINC000281190020 551072342 /nfs/dbraw/zinc/07/23/42/551072342.db2.gz RGECSDNIHQPCTO-CHWSQXEVSA-N 1 0 357.414 2.112 20 5 FEBDRO O=C(C[NH2+][C@]1(CO)CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000281644310 551124744 /nfs/dbraw/zinc/12/47/44/551124744.db2.gz JFNYRHGQNJDRNY-IBGZPJMESA-N 1 0 355.394 2.347 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)c1 ZINC000282459736 551232170 /nfs/dbraw/zinc/23/21/70/551232170.db2.gz FWEIXIFNLPYTHC-MRXNPFEDSA-N 1 0 350.806 2.436 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CC2(OCCO)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000282722656 551263473 /nfs/dbraw/zinc/26/34/73/551263473.db2.gz MAPMTXUNXHAHLX-QGZVFWFLSA-N 1 0 364.442 2.465 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000282913479 551284651 /nfs/dbraw/zinc/28/46/51/551284651.db2.gz GQFKABXQHGNARA-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283413224 551362103 /nfs/dbraw/zinc/36/21/03/551362103.db2.gz FJVZEWJOODMZLI-TZMCWYRMSA-N 1 0 353.394 2.097 20 5 FEBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000283669672 551406377 /nfs/dbraw/zinc/40/63/77/551406377.db2.gz YCHPRVHFQAHSQL-ZDUSSCGKSA-N 1 0 353.394 2.291 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000283828606 551434051 /nfs/dbraw/zinc/43/40/51/551434051.db2.gz GAZVZZWOUGOTDK-GFCCVEGCSA-N 1 0 350.394 2.407 20 5 FEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000283982584 551461482 /nfs/dbraw/zinc/46/14/82/551461482.db2.gz FUEWKUXFKNMPTC-GDBMZVCRSA-N 1 0 353.375 2.159 20 5 FEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000283982591 551461522 /nfs/dbraw/zinc/46/15/22/551461522.db2.gz FUEWKUXFKNMPTC-GOEBONIOSA-N 1 0 353.375 2.159 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500937 561526058 /nfs/dbraw/zinc/52/60/58/561526058.db2.gz ZQBDZXCLXFULMF-XWIASGKRSA-N 1 0 368.821 2.080 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000498703606 561532182 /nfs/dbraw/zinc/53/21/82/561532182.db2.gz CCFOYCPJHWMGOQ-JTQLQIEISA-N 1 0 373.356 2.371 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000498722217 561532652 /nfs/dbraw/zinc/53/26/52/561532652.db2.gz WVLQKDVPKJLOOR-CYBMUJFWSA-N 1 0 367.471 2.389 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000285157618 551712467 /nfs/dbraw/zinc/71/24/67/551712467.db2.gz AHQHKPLHYLLZAM-NEPJUHHUSA-N 1 0 373.862 2.496 20 5 FEBDRO COc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285336076 551740186 /nfs/dbraw/zinc/74/01/86/551740186.db2.gz UMVARLBUEPJGPA-GFCCVEGCSA-N 1 0 358.398 2.266 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000285359224 551743792 /nfs/dbraw/zinc/74/37/92/551743792.db2.gz BFEIBHMGFCRCHU-UHFFFAOYSA-N 1 0 351.447 2.154 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000285404528 551750730 /nfs/dbraw/zinc/75/07/30/551750730.db2.gz FJNCXGVKQZHMAE-OAHLLOKOSA-N 1 0 362.430 2.373 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000285429396 551755178 /nfs/dbraw/zinc/75/51/78/551755178.db2.gz HGCLSVGCCQFNEA-UHFFFAOYSA-N 1 0 365.474 2.462 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000285473557 551761999 /nfs/dbraw/zinc/76/19/99/551761999.db2.gz OAPGDXBDGZJVCF-HCXYKTFWSA-N 1 0 356.426 2.420 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922233 561537986 /nfs/dbraw/zinc/53/79/86/561537986.db2.gz BFMNSIFFGZZSSZ-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CN(C(=O)CN1CC=C(c2ccnn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000285665591 551791814 /nfs/dbraw/zinc/79/18/14/551791814.db2.gz PYXBNGUCTUGMNP-UHFFFAOYSA-N 1 0 355.398 2.080 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000498956032 561539354 /nfs/dbraw/zinc/53/93/54/561539354.db2.gz KSOMKXQARRHRMM-UHFFFAOYSA-N 1 0 363.867 2.423 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000498988587 561540366 /nfs/dbraw/zinc/54/03/66/561540366.db2.gz BFSAPRWYPLPNFN-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285910180 551826065 /nfs/dbraw/zinc/82/60/65/551826065.db2.gz YZTFSBXIBMIRRJ-CQSZACIVSA-N 1 0 373.413 2.150 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285977701 551833909 /nfs/dbraw/zinc/83/39/09/551833909.db2.gz LVABWNVGJJZFKD-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000286102648 551849035 /nfs/dbraw/zinc/84/90/35/551849035.db2.gz NRTOSDLLERMDII-VYUIOLGVSA-N 1 0 356.220 2.474 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000286545813 551898384 /nfs/dbraw/zinc/89/83/84/551898384.db2.gz ZRTZTQQOCHZARY-AGUYFDCRSA-N 1 0 362.430 2.099 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569675 551900991 /nfs/dbraw/zinc/90/09/91/551900991.db2.gz DYWMRQWRMGCHJF-FZMZJTMJSA-N 1 0 373.862 2.496 20 5 FEBDRO COc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1OC ZINC000286953700 551944106 /nfs/dbraw/zinc/94/41/06/551944106.db2.gz MSZQEUTUHLYVFI-CYBMUJFWSA-N 1 0 361.398 2.433 20 5 FEBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000287107234 551964269 /nfs/dbraw/zinc/96/42/69/551964269.db2.gz OSLOBHFYOWEOMM-UHFFFAOYSA-N 1 0 372.429 2.348 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117778 551965620 /nfs/dbraw/zinc/96/56/20/551965620.db2.gz MBNLOWPSFXPFKB-HOCLYGCPSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117776 551965764 /nfs/dbraw/zinc/96/57/64/551965764.db2.gz MBNLOWPSFXPFKB-GOEBONIOSA-N 1 0 369.425 2.479 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](CC3CCOCC3)CC2)s1 ZINC000287407219 551999938 /nfs/dbraw/zinc/99/99/38/551999938.db2.gz SNLRZFYEBJGEER-UHFFFAOYSA-N 1 0 363.443 2.148 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000499656978 561555532 /nfs/dbraw/zinc/55/55/32/561555532.db2.gz IXWCWIRBYKOYFZ-OAHLLOKOSA-N 1 0 351.451 2.179 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000288670125 552195413 /nfs/dbraw/zinc/19/54/13/552195413.db2.gz HMEPSEZZKAGAML-UHFFFAOYSA-N 1 0 368.453 2.011 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000288800971 552215089 /nfs/dbraw/zinc/21/50/89/552215089.db2.gz KTSHEKYAOCUDFN-UHFFFAOYSA-N 1 0 374.401 2.037 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288871810 552228300 /nfs/dbraw/zinc/22/83/00/552228300.db2.gz QWZYBCSQXZIJQZ-LBPRGKRZSA-N 1 0 350.419 2.078 20 5 FEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000500176530 561567311 /nfs/dbraw/zinc/56/73/11/561567311.db2.gz FRIIURODLJKDMT-RHSMWYFYSA-N 1 0 374.445 2.090 20 5 FEBDRO C[C@@H](CO)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289307810 552299009 /nfs/dbraw/zinc/29/90/09/552299009.db2.gz AVUPDMHPZZUILD-QMMMGPOBSA-N 1 0 350.156 2.012 20 5 FEBDRO C[C@@H](CCCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289509405 552332809 /nfs/dbraw/zinc/33/28/09/552332809.db2.gz MWVVOWFSNHUGRG-VIFPVBQESA-N 1 0 364.183 2.450 20 5 FEBDRO C[C@@H](O)CC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289530936 552335916 /nfs/dbraw/zinc/33/59/16/552335916.db2.gz BUNQSVDHQVVJSF-SECBINFHSA-N 1 0 364.183 2.402 20 5 FEBDRO Cc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000289658021 552357091 /nfs/dbraw/zinc/35/70/91/552357091.db2.gz YLBSWIKDSMMXEC-OAHLLOKOSA-N 1 0 355.460 2.007 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000290014643 552414133 /nfs/dbraw/zinc/41/41/33/552414133.db2.gz JJZBASGYDQPKAW-LLVKDONJSA-N 1 0 368.409 2.217 20 5 FEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290275405 552452962 /nfs/dbraw/zinc/45/29/62/552452962.db2.gz YYJBHUFKGYAGHR-OLZOCXBDSA-N 1 0 358.423 2.400 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514317 552491043 /nfs/dbraw/zinc/49/10/43/552491043.db2.gz AYFOABAXOGXAHA-WFASDCNBSA-N 1 0 355.398 2.021 20 5 FEBDRO NC(=O)c1ccnc(NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000290523884 552492644 /nfs/dbraw/zinc/49/26/44/552492644.db2.gz GQRYQOKONMOOEV-UHFFFAOYSA-N 1 0 369.425 2.413 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290785743 552537630 /nfs/dbraw/zinc/53/76/30/552537630.db2.gz CRGRMSOQUXNJRK-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO C[C@@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291191514 552597965 /nfs/dbraw/zinc/59/79/65/552597965.db2.gz STVRBJSFVYINJQ-IUODEOHRSA-N 1 0 355.398 2.164 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664616 552648604 /nfs/dbraw/zinc/64/86/04/552648604.db2.gz FZINHOUHRZNXJS-CYBMUJFWSA-N 1 0 359.386 2.076 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292060340 552689395 /nfs/dbraw/zinc/68/93/95/552689395.db2.gz OPJGGSYYVGGMDZ-CQSZACIVSA-N 1 0 367.471 2.231 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292836040 552763399 /nfs/dbraw/zinc/76/33/99/552763399.db2.gz BVOMOXXDHIJPCV-CRAIPNDOSA-N 1 0 361.445 2.365 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CC2)OCCCO3)cccc1[N+](=O)[O-] ZINC000292905196 552769967 /nfs/dbraw/zinc/76/99/67/552769967.db2.gz FBJMCGCHMHZGTC-UHFFFAOYSA-N 1 0 363.414 2.461 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293007584 552779990 /nfs/dbraw/zinc/77/99/90/552779990.db2.gz JOSUQKJWQJRLNH-KRWDZBQOSA-N 1 0 365.430 2.319 20 5 FEBDRO Cc1c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000294066242 552879103 /nfs/dbraw/zinc/87/91/03/552879103.db2.gz KQHGZNLKJOPHRC-UHFFFAOYSA-N 1 0 362.386 2.336 20 5 FEBDRO Cc1c(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000294138409 552884948 /nfs/dbraw/zinc/88/49/48/552884948.db2.gz GJVCLFDFIFFOKD-UHFFFAOYSA-N 1 0 351.451 2.250 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778868 561605387 /nfs/dbraw/zinc/60/53/87/561605387.db2.gz WPEISYRFHCLSHM-SJORKVTESA-N 1 0 370.453 2.351 20 5 FEBDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295165967 552965258 /nfs/dbraw/zinc/96/52/58/552965258.db2.gz SWPMQPHEVVOBMO-INIZCTEOSA-N 1 0 373.413 2.268 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000295242007 552974390 /nfs/dbraw/zinc/97/43/90/552974390.db2.gz LSKWJSZSJLSNHA-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1ccccc1Br ZINC000295364711 552994894 /nfs/dbraw/zinc/99/48/94/552994894.db2.gz PFFAJIKXUKNTJO-CQSZACIVSA-N 1 0 369.219 2.219 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000295604792 553032243 /nfs/dbraw/zinc/03/22/43/553032243.db2.gz NIOBMLYCIUZIIR-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000295862966 553069180 /nfs/dbraw/zinc/06/91/80/553069180.db2.gz DYUOKLHZHSGEML-YJBOKZPZSA-N 1 0 362.426 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296762329 553208559 /nfs/dbraw/zinc/20/85/59/553208559.db2.gz PHOPCTHKXBYVMG-CQSZACIVSA-N 1 0 364.402 2.004 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296849640 553220063 /nfs/dbraw/zinc/22/00/63/553220063.db2.gz FPMUCGXPYCNNQM-KRWDZBQOSA-N 1 0 373.457 2.045 20 5 FEBDRO Nc1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000297232108 553267050 /nfs/dbraw/zinc/26/70/50/553267050.db2.gz PAXUSCKAFWVMFN-HIFRSBDPSA-N 1 0 358.373 2.273 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297288887 553274039 /nfs/dbraw/zinc/27/40/39/553274039.db2.gz XWFCWMXZZKNECZ-KRWDZBQOSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000297837478 553345228 /nfs/dbraw/zinc/34/52/28/553345228.db2.gz KHQCBXRTXXAKFB-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297900042 553354769 /nfs/dbraw/zinc/35/47/69/553354769.db2.gz OUEQJZPYZJTXMI-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000503516954 561643405 /nfs/dbraw/zinc/64/34/05/561643405.db2.gz NZAHROMUKNXTSC-CHWSQXEVSA-N 1 0 364.370 2.118 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000298293236 553408905 /nfs/dbraw/zinc/40/89/05/553408905.db2.gz XRGJEESBFARMHI-UHFFFAOYSA-N 1 0 362.430 2.093 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503929 561643151 /nfs/dbraw/zinc/64/31/51/561643151.db2.gz JRFXBSKUZCKXQK-HUUCEWRRSA-N 1 0 369.487 2.320 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298916632 553489045 /nfs/dbraw/zinc/48/90/45/553489045.db2.gz GVXOESGGQMELSF-ZDUSSCGKSA-N 1 0 350.419 2.277 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000299119481 553517976 /nfs/dbraw/zinc/51/79/76/553517976.db2.gz TZAPLQYEDQGTLI-CQSZACIVSA-N 1 0 350.419 2.135 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556722 553580855 /nfs/dbraw/zinc/58/08/55/553580855.db2.gz XEDSENBKKPJAHP-KGLIPLIRSA-N 1 0 362.386 2.476 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC000301274869 553637997 /nfs/dbraw/zinc/63/79/97/553637997.db2.gz IPEPHTQDCUGPCK-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301283632 553639102 /nfs/dbraw/zinc/63/91/02/553639102.db2.gz NNPMWHKZCYEKEP-HIFRSBDPSA-N 1 0 369.425 2.232 20 5 FEBDRO C[NH+]1CCC(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301284113 553639166 /nfs/dbraw/zinc/63/91/66/553639166.db2.gz YULMFMJZDPCLPY-UHFFFAOYSA-N 1 0 363.386 2.345 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000301349218 553644618 /nfs/dbraw/zinc/64/46/18/553644618.db2.gz IGFARZPPXLGOSO-MRXNPFEDSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000301617531 553666137 /nfs/dbraw/zinc/66/61/37/553666137.db2.gz KMVAKUYMXUDAIE-TZMCWYRMSA-N 1 0 355.398 2.164 20 5 FEBDRO CNC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301771341 553677934 /nfs/dbraw/zinc/67/79/34/553677934.db2.gz JGXCKDQVMWQLDN-HOCLYGCPSA-N 1 0 358.442 2.408 20 5 FEBDRO COc1cccc([C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)c1 ZINC000301834565 553683858 /nfs/dbraw/zinc/68/38/58/553683858.db2.gz KLSPIFJBPYKYOA-AWEZNQCLSA-N 1 0 356.386 2.361 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301914290 553691253 /nfs/dbraw/zinc/69/12/53/553691253.db2.gz IBCAQRXQUXYKNG-NSHDSACASA-N 1 0 371.235 2.418 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302428158 553716979 /nfs/dbraw/zinc/71/69/79/553716979.db2.gz KKZVUCPHQVNHMV-GHMZBOCLSA-N 1 0 358.236 2.249 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000319215333 553763956 /nfs/dbraw/zinc/76/39/56/553763956.db2.gz SAQCVVMUGRHSJS-JTQLQIEISA-N 1 0 369.219 2.063 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000324977411 553774251 /nfs/dbraw/zinc/77/42/51/553774251.db2.gz QBFHDWDNOKBFOI-CVEARBPZSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000325005831 553774321 /nfs/dbraw/zinc/77/43/21/553774321.db2.gz AOZGAQWFLWYSMY-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000324978235 553774435 /nfs/dbraw/zinc/77/44/35/553774435.db2.gz QIISRMHEVMWWKC-GJZGRUSLSA-N 1 0 353.444 2.198 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994080 561713427 /nfs/dbraw/zinc/71/34/27/561713427.db2.gz DWGSFDNSMFPAQV-GXTWGEPZSA-N 1 0 355.398 2.336 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+]2CCC1CC2 ZINC000507873491 561744106 /nfs/dbraw/zinc/74/41/06/561744106.db2.gz MXAQLFQSJZJNQM-LLVKDONJSA-N 1 0 353.806 2.322 20 5 FEBDRO C[C@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000507891386 561744854 /nfs/dbraw/zinc/74/48/54/561744854.db2.gz SMKWFFAKLMWLER-UONOGXRCSA-N 1 0 355.460 2.289 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000507975195 561747832 /nfs/dbraw/zinc/74/78/32/561747832.db2.gz PHKJDSVXNZVHRG-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000331107713 554214153 /nfs/dbraw/zinc/21/41/53/554214153.db2.gz HMUOUOSHBYOIJJ-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)c21 ZINC000509033092 561782129 /nfs/dbraw/zinc/78/21/29/561782129.db2.gz QJJSOMIBNYXRAE-CQSZACIVSA-N 1 0 357.414 2.087 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621645 554296808 /nfs/dbraw/zinc/29/68/08/554296808.db2.gz FHZPJDMULLQVSM-GJZGRUSLSA-N 1 0 351.428 2.130 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000331855524 554332154 /nfs/dbraw/zinc/33/21/54/554332154.db2.gz DPMSHPIURBFISL-GOEBONIOSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C[N@@H+]1C ZINC000509663867 561809723 /nfs/dbraw/zinc/80/97/23/561809723.db2.gz FHEMXHSQNLHFFD-OLZOCXBDSA-N 1 0 358.398 2.073 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000332075356 554374578 /nfs/dbraw/zinc/37/45/78/554374578.db2.gz FRDRMJHSQMRGEF-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO CCOC(=O)c1ccnc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000609960735 554444656 /nfs/dbraw/zinc/44/46/56/554444656.db2.gz AXQYBMWKMWHNSW-CHWSQXEVSA-N 1 0 366.418 2.078 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510521595 561837495 /nfs/dbraw/zinc/83/74/95/561837495.db2.gz IPDWYZNTNUPHBL-IUODEOHRSA-N 1 0 359.430 2.366 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2CCCF)c1 ZINC000510680303 561843276 /nfs/dbraw/zinc/84/32/76/561843276.db2.gz HWMYRZBKKZZRGX-CZUORRHYSA-N 1 0 373.450 2.381 20 5 FEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)n1C ZINC000350914069 554821956 /nfs/dbraw/zinc/82/19/56/554821956.db2.gz AVBPAAXHOXRBOL-LBPRGKRZSA-N 1 0 362.390 2.003 20 5 FEBDRO O=C(NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC000360254388 554868808 /nfs/dbraw/zinc/86/88/08/554868808.db2.gz ONBGPEJNKBCSOB-UHFFFAOYSA-N 1 0 358.398 2.196 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831570 554937269 /nfs/dbraw/zinc/93/72/69/554937269.db2.gz VAXSTZVEDMQZBR-XJKSGUPXSA-N 1 0 369.425 2.411 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc2N1 ZINC000362926334 554999651 /nfs/dbraw/zinc/99/96/51/554999651.db2.gz QAYCKFUYZSPKDN-LZWOXQAQSA-N 1 0 356.426 2.400 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000362957282 555002965 /nfs/dbraw/zinc/00/29/65/555002965.db2.gz DSTQXPFLCCJCPG-GOSISDBHSA-N 1 0 362.474 2.205 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363111976 555033361 /nfs/dbraw/zinc/03/33/61/555033361.db2.gz UAVFBRDOBJJMFH-UHFFFAOYSA-N 1 0 355.822 2.433 20 5 FEBDRO Cc1cc(C2=CCN(C(=O)C3CC[NH+](C)CC3)CC2)cc([N+](=O)[O-])c1N ZINC000363302572 555074156 /nfs/dbraw/zinc/07/41/56/555074156.db2.gz RLKVOXYVCMRHAO-UHFFFAOYSA-N 1 0 358.442 2.443 20 5 FEBDRO O=C(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCOc2ccccc2C1 ZINC000363404487 555097240 /nfs/dbraw/zinc/09/72/40/555097240.db2.gz MJQWFFMMTPUITL-UHFFFAOYSA-N 1 0 355.394 2.496 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000363405061 555097433 /nfs/dbraw/zinc/09/74/33/555097433.db2.gz CFDJAQYUFKPMGL-DKSSEZFCSA-N 1 0 372.469 2.194 20 5 FEBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054580 555241701 /nfs/dbraw/zinc/24/17/01/555241701.db2.gz JEFFINPKXRSEPH-CQDKDKBSSA-N 1 0 371.397 2.263 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364066852 555243892 /nfs/dbraw/zinc/24/38/92/555243892.db2.gz FATDGRUDYFOGSA-UHFFFAOYSA-N 1 0 363.458 2.439 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364179830 555264118 /nfs/dbraw/zinc/26/41/18/555264118.db2.gz HDQOSVVKFVMZQC-SJORKVTESA-N 1 0 369.425 2.057 20 5 FEBDRO [NH3+][C@@H]1CCCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000364559867 555338211 /nfs/dbraw/zinc/33/82/11/555338211.db2.gz ASEGSIWCVZKOCB-UWWQBHOKSA-N 1 0 358.442 2.076 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000364695123 555376845 /nfs/dbraw/zinc/37/68/45/555376845.db2.gz LWRXFYMEKOKXPN-OAHLLOKOSA-N 1 0 353.382 2.053 20 5 FEBDRO COC(=O)[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000364764728 555396720 /nfs/dbraw/zinc/39/67/20/555396720.db2.gz PZLNFENCWPDTPE-CYBMUJFWSA-N 1 0 360.370 2.276 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365017428 555465963 /nfs/dbraw/zinc/46/59/63/555465963.db2.gz NGLOFVHPXXVMES-HUUCEWRRSA-N 1 0 358.398 2.004 20 5 FEBDRO NC(=O)c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000365227225 555516128 /nfs/dbraw/zinc/51/61/28/555516128.db2.gz YMVZTWWKIYNEAB-QAPCUYQASA-N 1 0 355.394 2.079 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000512998045 561921968 /nfs/dbraw/zinc/92/19/68/561921968.db2.gz SMUHETPCZZKHAQ-FMIVXFBMSA-N 1 0 358.398 2.109 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365333646 555545612 /nfs/dbraw/zinc/54/56/12/555545612.db2.gz YKWPLCSBYHXXJI-QMTHXVAHSA-N 1 0 368.231 2.110 20 5 FEBDRO Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C2 ZINC000365591789 555617503 /nfs/dbraw/zinc/61/75/03/555617503.db2.gz FKNVTHRQRDOMGT-ZDUSSCGKSA-N 1 0 364.427 2.010 20 5 FEBDRO CC(C)N(C(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000365822993 555675282 /nfs/dbraw/zinc/67/52/82/555675282.db2.gz UBRJSAHJNRLHPC-AWEZNQCLSA-N 1 0 351.451 2.462 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365867252 555687788 /nfs/dbraw/zinc/68/77/88/555687788.db2.gz KVPNTWIRPWLALN-CZUORRHYSA-N 1 0 364.471 2.045 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000513478006 561939826 /nfs/dbraw/zinc/93/98/26/561939826.db2.gz ANRVSUBKIVAOQN-JTDSTZFVSA-N 1 0 365.474 2.275 20 5 FEBDRO Cc1nccn1-c1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000365907209 555697728 /nfs/dbraw/zinc/69/77/28/555697728.db2.gz RXGLCFYKUVZABG-NSHDSACASA-N 1 0 372.360 2.302 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866128 561952857 /nfs/dbraw/zinc/95/28/57/561952857.db2.gz NZRDOARSWQPSPF-VQHPVUNQSA-N 1 0 357.410 2.247 20 5 FEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000366661374 555902036 /nfs/dbraw/zinc/90/20/36/555902036.db2.gz YXUMKKQAEPFUOF-DLBZAZTESA-N 1 0 357.414 2.019 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000514789435 561979664 /nfs/dbraw/zinc/97/96/64/561979664.db2.gz JBZJPULKDILOMP-HUUCEWRRSA-N 1 0 369.425 2.242 20 5 FEBDRO COc1cc(OCC(=O)Nc2cccc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000367653926 556105479 /nfs/dbraw/zinc/10/54/79/556105479.db2.gz RHMUWDYWJZQSSX-UHFFFAOYSA-N 1 0 357.366 2.267 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367713935 556121372 /nfs/dbraw/zinc/12/13/72/556121372.db2.gz XGRIAQIDICPNLG-HNNXBMFYSA-N 1 0 363.395 2.202 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000367793927 556141316 /nfs/dbraw/zinc/14/13/16/556141316.db2.gz PZRQLVFYQYEQFD-HZPDHXFCSA-N 1 0 358.442 2.022 20 5 FEBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000514963404 561989151 /nfs/dbraw/zinc/98/91/51/561989151.db2.gz OLDHSSNAATXVAV-SFHVURJKSA-N 1 0 355.398 2.056 20 5 FEBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000368121930 556223912 /nfs/dbraw/zinc/22/39/12/556223912.db2.gz GIVVSUVYIGDKII-JKSUJKDBSA-N 1 0 360.458 2.457 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000368323943 556278330 /nfs/dbraw/zinc/27/83/30/556278330.db2.gz LFSRUHHPTFPLRO-UHFFFAOYSA-N 1 0 361.442 2.410 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000368385701 556293720 /nfs/dbraw/zinc/29/37/20/556293720.db2.gz QBVFOUMYTBBXIG-STQMWFEESA-N 1 0 350.394 2.015 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000368446733 556312060 /nfs/dbraw/zinc/31/20/60/556312060.db2.gz MFHDPCPKCTUYHG-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000368496594 556326682 /nfs/dbraw/zinc/32/66/82/556326682.db2.gz PTXKBDFRCOERIN-JQWIXIFHSA-N 1 0 374.210 2.058 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368692217 556386880 /nfs/dbraw/zinc/38/68/80/556386880.db2.gz MFQRWYVJYHXCDA-IRXDYDNUSA-N 1 0 355.442 2.282 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000368804108 556417479 /nfs/dbraw/zinc/41/74/79/556417479.db2.gz FJVFCMNIEMVOKB-UHFFFAOYSA-N 1 0 363.443 2.093 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000368814394 556420639 /nfs/dbraw/zinc/42/06/39/556420639.db2.gz RQTWBSRBHBHJIX-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO Cn1cccc1C(=O)NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368858272 556430981 /nfs/dbraw/zinc/43/09/81/556430981.db2.gz DNJMZLAAOGBYIQ-UHFFFAOYSA-N 1 0 372.425 2.207 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)c1 ZINC000515579723 562015964 /nfs/dbraw/zinc/01/59/64/562015964.db2.gz NKUUVZJADCHSEI-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000515736631 562020689 /nfs/dbraw/zinc/02/06/89/562020689.db2.gz NCIKSWNPHJFTQV-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000368966048 556461396 /nfs/dbraw/zinc/46/13/96/556461396.db2.gz NFRZPEJKQDUBNI-CQSZACIVSA-N 1 0 360.414 2.138 20 5 FEBDRO COCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCC1 ZINC000515869937 562024358 /nfs/dbraw/zinc/02/43/58/562024358.db2.gz IFSXNAOXLCPCRK-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO Cn1cc([C@@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229930 556542618 /nfs/dbraw/zinc/54/26/18/556542618.db2.gz UJCRFVJGPITGHD-WMZOPIPTSA-N 1 0 360.414 2.295 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374245 556584238 /nfs/dbraw/zinc/58/42/38/556584238.db2.gz IIBCEHMCFMIEHX-RDTXWAMCSA-N 1 0 363.414 2.112 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000369375654 556584474 /nfs/dbraw/zinc/58/44/74/556584474.db2.gz YMGRFHQVZQGOSK-UHFFFAOYSA-N 1 0 363.443 2.024 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369536331 556624320 /nfs/dbraw/zinc/62/43/20/556624320.db2.gz GGBHGXUSCBJFPE-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369586515 556639446 /nfs/dbraw/zinc/63/94/46/556639446.db2.gz YEOVLKKMGHAJIU-QMCVQRASSA-N 1 0 350.415 2.080 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369649982 556658693 /nfs/dbraw/zinc/65/86/93/556658693.db2.gz SZCORXOCCDDZHT-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000369681924 556667447 /nfs/dbraw/zinc/66/74/47/556667447.db2.gz ALLQJPKBXGXMPZ-OAHLLOKOSA-N 1 0 361.358 2.070 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000516338241 562040315 /nfs/dbraw/zinc/04/03/15/562040315.db2.gz GABWHCWWCXIGSL-UHFFFAOYSA-N 1 0 367.471 2.481 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000369998011 556753161 /nfs/dbraw/zinc/75/31/61/556753161.db2.gz QINOSOBEODCIMF-OAHLLOKOSA-N 1 0 371.441 2.223 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370545263 556904637 /nfs/dbraw/zinc/90/46/37/556904637.db2.gz CVLLOSASCCNMFB-HNNXBMFYSA-N 1 0 363.462 2.294 20 5 FEBDRO Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817510 556977145 /nfs/dbraw/zinc/97/71/45/556977145.db2.gz CNOOVQJRTHCYBE-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370904075 557009642 /nfs/dbraw/zinc/00/96/42/557009642.db2.gz HITNXGTWHUTWOT-CXAGYDPISA-N 1 0 357.414 2.141 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000370914496 557013550 /nfs/dbraw/zinc/01/35/50/557013550.db2.gz YIUVGBQFSYGXPR-APWZRJJASA-N 1 0 371.441 2.224 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370930375 557020527 /nfs/dbraw/zinc/02/05/27/557020527.db2.gz ZZEGLYNTAKSRLJ-HNAYVOBHSA-N 1 0 371.441 2.070 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371356313 557158393 /nfs/dbraw/zinc/15/83/93/557158393.db2.gz WWTBTXYNVHZPHC-HVMFBIMJSA-N 1 0 372.469 2.092 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000371872661 557316032 /nfs/dbraw/zinc/31/60/32/557316032.db2.gz MPBQYLFIRPTOSR-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086336 557376378 /nfs/dbraw/zinc/37/63/78/557376378.db2.gz UPWJXHULZOWTLD-ZACQAIPSSA-N 1 0 369.425 2.242 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000518889077 562120432 /nfs/dbraw/zinc/12/04/32/562120432.db2.gz XQRRQDUOYUVLQZ-LBPRGKRZSA-N 1 0 358.398 2.309 20 5 FEBDRO C[C@@H](C(=O)NCc1cccs1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281464 557428572 /nfs/dbraw/zinc/42/85/72/557428572.db2.gz ITDXIZVHQXXOLT-QWHCGFSZSA-N 1 0 363.443 2.195 20 5 FEBDRO O=C(NCC1=CC[NH2+]CC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372418877 557465931 /nfs/dbraw/zinc/46/59/31/557465931.db2.gz ZFLPPMSUYKOLEL-PKOBYXMFSA-N 1 0 370.453 2.162 20 5 FEBDRO C[NH+]1CCC(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000372529577 557494586 /nfs/dbraw/zinc/49/45/86/557494586.db2.gz RSTQAMKMFSINNV-PKOBYXMFSA-N 1 0 372.469 2.336 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725224 557548154 /nfs/dbraw/zinc/54/81/54/557548154.db2.gz HCZGYPZUYVNUGG-FUHWJXTLSA-N 1 0 357.410 2.457 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1 ZINC000373230129 557654239 /nfs/dbraw/zinc/65/42/39/557654239.db2.gz PTDWHDNEESFPFA-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000373234514 557655284 /nfs/dbraw/zinc/65/52/84/557655284.db2.gz WHFBGVRNZFBVEM-CQSZACIVSA-N 1 0 372.429 2.241 20 5 FEBDRO C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298143 557667977 /nfs/dbraw/zinc/66/79/77/557667977.db2.gz FWZRYOQPRZLZOD-AWEZNQCLSA-N 1 0 369.425 2.406 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000374002050 557805253 /nfs/dbraw/zinc/80/52/53/557805253.db2.gz OUMULOIGTKODHL-MRXNPFEDSA-N 1 0 363.462 2.152 20 5 FEBDRO C[NH+]1CCC2(CCCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000374102969 557824069 /nfs/dbraw/zinc/82/40/69/557824069.db2.gz WZSCBMDQFBLSAM-UHFFFAOYSA-N 1 0 365.405 2.447 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000374115903 557826337 /nfs/dbraw/zinc/82/63/37/557826337.db2.gz UTKAQQDVPOEXJX-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000520978259 562166792 /nfs/dbraw/zinc/16/67/92/562166792.db2.gz WWNWUKAXVYNYIP-OKILXGFUSA-N 1 0 372.429 2.168 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000374368423 557873022 /nfs/dbraw/zinc/87/30/22/557873022.db2.gz TUQFRPOQHPGVDB-DOTOQJQBSA-N 1 0 350.415 2.083 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000374917088 557950962 /nfs/dbraw/zinc/95/09/62/557950962.db2.gz XWYWZBUTPQETGE-ZWNOBZJWSA-N 1 0 355.341 2.362 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375277890 558003025 /nfs/dbraw/zinc/00/30/25/558003025.db2.gz KBFFHEUWWPOZKN-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](n2cncn2)C1 ZINC000375326549 558009807 /nfs/dbraw/zinc/00/98/07/558009807.db2.gz DYYSWDDJQDCSMY-CMPLNLGQSA-N 1 0 364.793 2.114 20 5 FEBDRO Cc1cccc(OC[C@H](O)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000521436500 562176464 /nfs/dbraw/zinc/17/64/64/562176464.db2.gz ZNDLUJLYZYSLOV-OAHLLOKOSA-N 1 0 373.409 2.261 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375727922 558073645 /nfs/dbraw/zinc/07/36/45/558073645.db2.gz VWCCPRWCEUCWIM-KRWDZBQOSA-N 1 0 365.434 2.267 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375879165 558092770 /nfs/dbraw/zinc/09/27/70/558092770.db2.gz HHADLPAWZPLINH-OVKVCFKUSA-N 1 0 372.469 2.235 20 5 FEBDRO O=C(CC[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000376032363 558116553 /nfs/dbraw/zinc/11/65/53/558116553.db2.gz LNPAPLZFMRPDPJ-UHFFFAOYSA-N 1 0 371.397 2.257 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000376197882 558139817 /nfs/dbraw/zinc/13/98/17/558139817.db2.gz PMHYAMQBDXGNAM-GFCCVEGCSA-N 1 0 356.382 2.146 20 5 FEBDRO C[C@@H](NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C[NH+](C)C ZINC000376311212 558156125 /nfs/dbraw/zinc/15/61/25/558156125.db2.gz MJORKZZUKYYZPX-KGLIPLIRSA-N 1 0 366.466 2.114 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)s1 ZINC000376450652 558175140 /nfs/dbraw/zinc/17/51/40/558175140.db2.gz SUVCDANCQUFUPJ-NEPJUHHUSA-N 1 0 363.443 2.025 20 5 FEBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]([C@H]2CCCO2)N1 ZINC000377727185 558406171 /nfs/dbraw/zinc/40/61/71/558406171.db2.gz RGPBLFNLFCHCIM-BJJXKVORSA-N 1 0 353.806 2.164 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000522884226 562205392 /nfs/dbraw/zinc/20/53/92/562205392.db2.gz JTIRUEZPXIUGOP-INIZCTEOSA-N 1 0 371.441 2.439 20 5 FEBDRO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246538 558510854 /nfs/dbraw/zinc/51/08/54/558510854.db2.gz ICTHVZGOWKPJDL-QZTJIDSGSA-N 1 0 359.430 2.391 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000378344569 558534235 /nfs/dbraw/zinc/53/42/35/558534235.db2.gz AOYVDEJKRWWDAA-AWEZNQCLSA-N 1 0 361.446 2.227 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+](C)C ZINC000523699681 562218077 /nfs/dbraw/zinc/21/80/77/562218077.db2.gz BBXQEQGJODBDCI-CYBMUJFWSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000523944790 562221915 /nfs/dbraw/zinc/22/19/15/562221915.db2.gz WBCHFQHDAORSPR-ZIAGYGMSSA-N 1 0 365.478 2.282 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CC[NH3+] ZINC000405348028 558632322 /nfs/dbraw/zinc/63/23/22/558632322.db2.gz MBSULRSXAVRNQS-ZWNOBZJWSA-N 1 0 361.851 2.386 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524253239 562225968 /nfs/dbraw/zinc/22/59/68/562225968.db2.gz DPDBNKMZYCWTDR-KRWDZBQOSA-N 1 0 363.458 2.345 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524700367 562232622 /nfs/dbraw/zinc/23/26/22/562232622.db2.gz BIKWEHNWAMXQEA-INIZCTEOSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000411125273 558841018 /nfs/dbraw/zinc/84/10/18/558841018.db2.gz JHWAGRXPDDZSLU-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525292209 562245242 /nfs/dbraw/zinc/24/52/42/562245242.db2.gz YXIAVUBSUJKOHP-LBPRGKRZSA-N 1 0 355.822 2.475 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000411301680 558872352 /nfs/dbraw/zinc/87/23/52/558872352.db2.gz DXADQIRJJQPWIO-CYBMUJFWSA-N 1 0 364.446 2.243 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000411419321 558891671 /nfs/dbraw/zinc/89/16/71/558891671.db2.gz KGTBGOVRKVXVJK-UKRRQHHQSA-N 1 0 362.430 2.030 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428583 558893633 /nfs/dbraw/zinc/89/36/33/558893633.db2.gz QAGJFUNJJAGMLD-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687603 562252248 /nfs/dbraw/zinc/25/22/48/562252248.db2.gz BXCHEBQVQFYJHV-ZDUSSCGKSA-N 1 0 370.475 2.169 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000411601386 558927172 /nfs/dbraw/zinc/92/71/72/558927172.db2.gz GXPKSVGCNATPOL-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000411659161 558937850 /nfs/dbraw/zinc/93/78/50/558937850.db2.gz YDQXWQVSHCUYLC-CJNGLKHVSA-N 1 0 351.403 2.049 20 5 FEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411971539 558997692 /nfs/dbraw/zinc/99/76/92/558997692.db2.gz UAYVZUOEEDEXQC-LJQANCHMSA-N 1 0 355.394 2.103 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cccc1[N+](=O)[O-] ZINC000412086726 559011707 /nfs/dbraw/zinc/01/17/07/559011707.db2.gz RIDXRKCJXQLVFR-AWEZNQCLSA-N 1 0 362.430 2.221 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412135614 559016437 /nfs/dbraw/zinc/01/64/37/559016437.db2.gz UPMFUIPGDHVAPN-MDASCCDHSA-N 1 0 373.453 2.315 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000413065641 559074468 /nfs/dbraw/zinc/07/44/68/559074468.db2.gz VGHUDJHSUJRLLI-UHFFFAOYSA-N 1 0 360.393 2.278 20 5 FEBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000413199949 559087879 /nfs/dbraw/zinc/08/78/79/559087879.db2.gz DPRQLMZERVUFKF-WDEREUQCSA-N 1 0 350.366 2.490 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161382 559151277 /nfs/dbraw/zinc/15/12/77/559151277.db2.gz BTRQLXNDAQTSJA-MMPTUQATSA-N 1 0 351.403 2.334 20 5 FEBDRO CCOc1cc(NC(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414755263 559185395 /nfs/dbraw/zinc/18/53/95/559185395.db2.gz HDVYPRQNNODNHE-LBPRGKRZSA-N 1 0 352.391 2.251 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415423072 559234627 /nfs/dbraw/zinc/23/46/27/559234627.db2.gz FVWDWAIUJYQFMN-CQSZACIVSA-N 1 0 362.430 2.174 20 5 FEBDRO COc1ccc(NC(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000415451479 559238463 /nfs/dbraw/zinc/23/84/63/559238463.db2.gz XHRYOZOKRYBLKS-UHFFFAOYSA-N 1 0 359.386 2.300 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000415478416 559241763 /nfs/dbraw/zinc/24/17/63/559241763.db2.gz BEHFGRJQBQUTQN-LBPRGKRZSA-N 1 0 370.409 2.432 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415599523 559254199 /nfs/dbraw/zinc/25/41/99/559254199.db2.gz MUMPONOKJPSCOU-ZDUSSCGKSA-N 1 0 362.386 2.048 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H](C)CCCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415603304 559254337 /nfs/dbraw/zinc/25/43/37/559254337.db2.gz UFOXNKHXNVTGBQ-SNVBAGLBSA-N 1 0 352.391 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606393 559254715 /nfs/dbraw/zinc/25/47/15/559254715.db2.gz YVQVCBSSCPBHSY-WCQYABFASA-N 1 0 364.402 2.329 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415965063 559285468 /nfs/dbraw/zinc/28/54/68/559285468.db2.gz UEPNMCXQSUYZMJ-AWEZNQCLSA-N 1 0 355.398 2.470 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000416428309 559312193 /nfs/dbraw/zinc/31/21/93/559312193.db2.gz TZSNRSRLIGPVES-AWEZNQCLSA-N 1 0 361.423 2.236 20 5 FEBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416476751 559316148 /nfs/dbraw/zinc/31/61/48/559316148.db2.gz ZBMOJNZCGAUQIF-UHFFFAOYSA-N 1 0 369.365 2.232 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416561066 559321919 /nfs/dbraw/zinc/32/19/19/559321919.db2.gz TYONVECJSBASTF-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416663601 559328556 /nfs/dbraw/zinc/32/85/56/559328556.db2.gz QRHLGCKUDHFQJM-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000417724905 559374090 /nfs/dbraw/zinc/37/40/90/559374090.db2.gz ZPJOCCSKHMNXBW-LSDHHAIUSA-N 1 0 361.446 2.099 20 5 FEBDRO Cc1c(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000418055417 559388403 /nfs/dbraw/zinc/38/84/03/559388403.db2.gz BHMLDAKJRNVUSU-DLBZAZTESA-N 1 0 354.410 2.458 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418080885 559389454 /nfs/dbraw/zinc/38/94/54/559389454.db2.gz DOOYUMFSGWKKRI-UHFFFAOYSA-N 1 0 360.418 2.002 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418093986 559389943 /nfs/dbraw/zinc/38/99/43/559389943.db2.gz UBDURYWJWCFNCR-MFKMUULPSA-N 1 0 358.320 2.117 20 5 FEBDRO C[C@]1(C[NH3+])CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418098083 559390032 /nfs/dbraw/zinc/39/00/32/559390032.db2.gz ZBASUXGUIFABMK-CQSZACIVSA-N 1 0 360.336 2.494 20 5 FEBDRO COc1cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000420344283 559482066 /nfs/dbraw/zinc/48/20/66/559482066.db2.gz SNMVXIJOLIEIPO-GXFFZTMASA-N 1 0 357.357 2.389 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420384770 559484336 /nfs/dbraw/zinc/48/43/36/559484336.db2.gz GTSZJWQXNATXEX-OCBCSQNSSA-N 1 0 372.400 2.488 20 5 FEBDRO CN(C(=O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000420387425 559484665 /nfs/dbraw/zinc/48/46/65/559484665.db2.gz KIECPZKKIDNXBH-FUHWJXTLSA-N 1 0 372.400 2.123 20 5 FEBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000420388771 559484838 /nfs/dbraw/zinc/48/48/38/559484838.db2.gz MPOLTVUIGAARIL-FUHWJXTLSA-N 1 0 372.400 2.489 20 5 FEBDRO [NH3+][C@H]1Cc2ccccc2N([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420398719 559485325 /nfs/dbraw/zinc/48/53/25/559485325.db2.gz GZPRJMBUDAYCFB-KBXCAEBGSA-N 1 0 352.394 2.090 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000527288833 562283940 /nfs/dbraw/zinc/28/39/40/562283940.db2.gz HBDFRCXZRRHNPS-JLHYYAGUSA-N 1 0 355.460 2.306 20 5 FEBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000421037557 559521171 /nfs/dbraw/zinc/52/11/71/559521171.db2.gz RRIYABVYGYEWBM-AWEZNQCLSA-N 1 0 365.430 2.406 20 5 FEBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(CN2CCOCC2)cc1 ZINC000421220077 559531662 /nfs/dbraw/zinc/53/16/62/559531662.db2.gz VYVQZVNVJWTHQD-UHFFFAOYSA-N 1 0 363.801 2.290 20 5 FEBDRO CSC1(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000421395070 559541136 /nfs/dbraw/zinc/54/11/36/559541136.db2.gz YANPCHRGGYZRBL-UHFFFAOYSA-N 1 0 373.500 2.091 20 5 FEBDRO COC1([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421406138 559541422 /nfs/dbraw/zinc/54/14/22/559541422.db2.gz SQDFEYFTFJCZPK-UONOGXRCSA-N 1 0 365.430 2.486 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000421749269 559551815 /nfs/dbraw/zinc/55/18/15/559551815.db2.gz HMWRTLZZRHSFJO-UHFFFAOYSA-N 1 0 361.442 2.396 20 5 FEBDRO C[C@@H]1C[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000422642544 559599699 /nfs/dbraw/zinc/59/96/99/559599699.db2.gz ZNYUVUZARBPDPG-RDBSUJKOSA-N 1 0 362.430 2.198 20 5 FEBDRO COCC1(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423407251 559628183 /nfs/dbraw/zinc/62/81/83/559628183.db2.gz MEBWULVKSAGHEQ-QGZVFWFLSA-N 1 0 373.457 2.024 20 5 FEBDRO [NH3+][C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000423487753 559630134 /nfs/dbraw/zinc/63/01/34/559630134.db2.gz XSSCDBVAEWJXOP-HNNXBMFYSA-N 1 0 357.360 2.427 20 5 FEBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000423576394 559632883 /nfs/dbraw/zinc/63/28/83/559632883.db2.gz RBXRQKHQSBFAEV-JTQLQIEISA-N 1 0 357.360 2.299 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423722157 559637049 /nfs/dbraw/zinc/63/70/49/559637049.db2.gz PLZMUEMJCXXEDR-OAHLLOKOSA-N 1 0 361.442 2.348 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000424008396 559650601 /nfs/dbraw/zinc/65/06/01/559650601.db2.gz HXOJPYOLANKWSV-WMZOPIPTSA-N 1 0 361.442 2.191 20 5 FEBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-] ZINC000424021007 559651479 /nfs/dbraw/zinc/65/14/79/559651479.db2.gz SVKRMQSFMCTXFF-OAHLLOKOSA-N 1 0 372.429 2.246 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424039605 559652151 /nfs/dbraw/zinc/65/21/51/559652151.db2.gz OOUWXONCDSCQNM-DZGCQCFKSA-N 1 0 358.373 2.099 20 5 FEBDRO COc1cccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000424039933 559652174 /nfs/dbraw/zinc/65/21/74/559652174.db2.gz FBSOOPTULSTYHI-UHFFFAOYSA-N 1 0 359.426 2.487 20 5 FEBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424235244 559658808 /nfs/dbraw/zinc/65/88/08/559658808.db2.gz KRJCIFIFWRPDNW-GOEBONIOSA-N 1 0 371.441 2.193 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000425669974 559714189 /nfs/dbraw/zinc/71/41/89/559714189.db2.gz QHDDWNVVJRCMTC-UHFFFAOYSA-N 1 0 350.419 2.478 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)n1 ZINC000427399250 559754732 /nfs/dbraw/zinc/75/47/32/559754732.db2.gz NXBHKALTOFMZED-KGLIPLIRSA-N 1 0 351.451 2.442 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428321443 559773337 /nfs/dbraw/zinc/77/33/37/559773337.db2.gz ARFHUIUOARHQOP-GOSISDBHSA-N 1 0 357.414 2.411 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428989233 559787511 /nfs/dbraw/zinc/78/75/11/559787511.db2.gz BYOOMBQYKUDAPO-CYBMUJFWSA-N 1 0 373.182 2.016 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2)c(C)c1[N+](=O)[O-] ZINC000429109053 559790888 /nfs/dbraw/zinc/79/08/88/559790888.db2.gz YKHNCWHFWAGPDG-OAHLLOKOSA-N 1 0 371.441 2.186 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429308998 559795441 /nfs/dbraw/zinc/79/54/41/559795441.db2.gz MBDKOTVGFPQEKS-CYBMUJFWSA-N 1 0 371.393 2.395 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429322670 559796010 /nfs/dbraw/zinc/79/60/10/559796010.db2.gz NNUAWNRDBZNWFM-GFCCVEGCSA-N 1 0 357.366 2.005 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000429525031 559800374 /nfs/dbraw/zinc/80/03/74/559800374.db2.gz ZGBZTCDCLCNYCN-NSHDSACASA-N 1 0 357.366 2.316 20 5 FEBDRO [NH3+]C[C@@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000430621567 559824954 /nfs/dbraw/zinc/82/49/54/559824954.db2.gz DPOYBKWULKHYOU-NSHDSACASA-N 1 0 371.235 2.109 20 5 FEBDRO CCCN(CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000430966136 559831521 /nfs/dbraw/zinc/83/15/21/559831521.db2.gz MSIIWGGISWPXAW-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO CCOc1cccc(NCC(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000431473625 559839945 /nfs/dbraw/zinc/83/99/45/559839945.db2.gz RZQDNZIVPFAZSG-UHFFFAOYSA-N 1 0 364.446 2.398 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000434020616 559892524 /nfs/dbraw/zinc/89/25/24/559892524.db2.gz HITZNILCIQARNO-UHFFFAOYSA-N 1 0 367.450 2.014 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382341 559921752 /nfs/dbraw/zinc/92/17/52/559921752.db2.gz YXYDQYFXMMGILA-WCFLWFBJSA-N 1 0 371.384 2.416 20 5 FEBDRO C[NH2+]C[C@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435378335 559921826 /nfs/dbraw/zinc/92/18/26/559921826.db2.gz DBEHKXWBTUJABV-LLVKDONJSA-N 1 0 359.373 2.289 20 5 FEBDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000435396219 559922176 /nfs/dbraw/zinc/92/21/76/559922176.db2.gz VDMXBTBTUXMFMB-LLVKDONJSA-N 1 0 363.336 2.338 20 5 FEBDRO Cn1ccnc1CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435560193 559925136 /nfs/dbraw/zinc/92/51/36/559925136.db2.gz UVTLKBYEGYDWHB-MRXNPFEDSA-N 1 0 369.425 2.113 20 5 FEBDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000435749832 559929343 /nfs/dbraw/zinc/92/93/43/559929343.db2.gz LLFJGYHZQOYCHJ-UHFFFAOYSA-N 1 0 373.409 2.061 20 5 FEBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000436718682 559949999 /nfs/dbraw/zinc/94/99/99/559949999.db2.gz FUOUFCPAALJKQV-HNNXBMFYSA-N 1 0 357.414 2.091 20 5 FEBDRO CCOC(=O)Cn1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000438196342 559975523 /nfs/dbraw/zinc/97/55/23/559975523.db2.gz AQJMZEVLKBWTQQ-UHFFFAOYSA-N 1 0 360.414 2.304 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439684963 559998810 /nfs/dbraw/zinc/99/88/10/559998810.db2.gz MXTNYLTUSOLELH-OAHLLOKOSA-N 1 0 356.430 2.315 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440520176 560013517 /nfs/dbraw/zinc/01/35/17/560013517.db2.gz LCCPUJCGTYBOLN-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441642628 560036870 /nfs/dbraw/zinc/03/68/70/560036870.db2.gz HGAVSQZTTNAQME-UONOGXRCSA-N 1 0 361.398 2.251 20 5 FEBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000442962733 560064275 /nfs/dbraw/zinc/06/42/75/560064275.db2.gz DPUHAWHFCLNSLF-UHFFFAOYSA-N 1 0 362.430 2.472 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443063233 560068646 /nfs/dbraw/zinc/06/86/46/560068646.db2.gz DBGKMJHICPRHDK-GXTWGEPZSA-N 1 0 352.387 2.146 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785872 560092940 /nfs/dbraw/zinc/09/29/40/560092940.db2.gz YHSFWSJBGQOOMR-OKILXGFUSA-N 1 0 355.460 2.277 20 5 FEBDRO Nc1c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cccc1[N+](=O)[O-] ZINC000444447703 560113979 /nfs/dbraw/zinc/11/39/79/560113979.db2.gz AAQDCJYXGQNBCQ-UHFFFAOYSA-N 1 0 370.409 2.386 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661144 560117891 /nfs/dbraw/zinc/11/78/91/560117891.db2.gz HBHWVASFCBWQDL-CSMYWGQOSA-N 1 0 359.430 2.155 20 5 FEBDRO C[C@@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C[NH+](C)C ZINC000445115207 560129187 /nfs/dbraw/zinc/12/91/87/560129187.db2.gz NGLSPXSOBIZEEC-LLVKDONJSA-N 1 0 362.434 2.247 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000445610055 560133195 /nfs/dbraw/zinc/13/31/95/560133195.db2.gz WXZYPJBRBNIGQT-UHFFFAOYSA-N 1 0 357.414 2.456 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318430 560144244 /nfs/dbraw/zinc/14/42/44/560144244.db2.gz BVUXIVKRBFURRF-GPMSIDNRSA-N 1 0 359.426 2.012 20 5 FEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447242066 560158585 /nfs/dbraw/zinc/15/85/85/560158585.db2.gz FDUOCYYLURYNMV-SFYZADRCSA-N 1 0 368.242 2.259 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000447507678 560163665 /nfs/dbraw/zinc/16/36/65/560163665.db2.gz IMJFEZRWUMZTBL-VHSXEESVSA-N 1 0 361.320 2.406 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447722672 560167961 /nfs/dbraw/zinc/16/79/61/560167961.db2.gz KKNZEUYNVDWQIQ-CYBMUJFWSA-N 1 0 359.386 2.274 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447928039 560173380 /nfs/dbraw/zinc/17/33/80/560173380.db2.gz CRDVKCCTNGXPQP-HNNXBMFYSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000448180372 560179848 /nfs/dbraw/zinc/17/98/48/560179848.db2.gz MPQASZQSMRKJOD-AWEZNQCLSA-N 1 0 370.413 2.086 20 5 FEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449461091 560231019 /nfs/dbraw/zinc/23/10/19/560231019.db2.gz SHGJXKVMRYJOQB-USXIJHARSA-N 1 0 360.414 2.059 20 5 FEBDRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000449645251 560235396 /nfs/dbraw/zinc/23/53/96/560235396.db2.gz IVYCZAYEUFAICR-DZGCQCFKSA-N 1 0 360.389 2.196 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449721327 560238019 /nfs/dbraw/zinc/23/80/19/560238019.db2.gz OJSMQQYJEZWFBX-WRWORJQWSA-N 1 0 369.727 2.411 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000449719710 560238058 /nfs/dbraw/zinc/23/80/58/560238058.db2.gz HLWXBZJBUNTGIH-CYBMUJFWSA-N 1 0 360.336 2.205 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@@H+]1C1CC1 ZINC000450071311 560249871 /nfs/dbraw/zinc/24/98/71/560249871.db2.gz BBRQMQCOHBILMT-OCCSQVGLSA-N 1 0 355.398 2.136 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149179 560252273 /nfs/dbraw/zinc/25/22/73/560252273.db2.gz VETJWJJDDHSVTR-PXAZEXFGSA-N 1 0 357.414 2.443 20 5 FEBDRO C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1CC[NH+](C)CC1 ZINC000450306732 560257815 /nfs/dbraw/zinc/25/78/15/560257815.db2.gz UPBNYFZPLLWCGQ-CYBMUJFWSA-N 1 0 361.471 2.766 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1C ZINC000450314878 560258086 /nfs/dbraw/zinc/25/80/86/560258086.db2.gz CJSVZBATSIUVPT-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)C1 ZINC000450336804 560259000 /nfs/dbraw/zinc/25/90/00/560259000.db2.gz BKZVCABAGJLTBO-HIFRSBDPSA-N 1 0 361.446 2.442 20 5 FEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000450405544 560261492 /nfs/dbraw/zinc/26/14/92/560261492.db2.gz OXBGUAMWJBYARZ-GOSISDBHSA-N 1 0 355.398 2.274 20 5 FEBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450797880 560273704 /nfs/dbraw/zinc/27/37/04/560273704.db2.gz XWMBOMBRZJWNQY-PHIMTYICSA-N 1 0 358.236 2.249 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000451106936 560287515 /nfs/dbraw/zinc/28/75/15/560287515.db2.gz QIHWTYWMEUHWEC-SUMWQHHRSA-N 1 0 355.394 2.365 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])cc1F ZINC000451197632 560292574 /nfs/dbraw/zinc/29/25/74/560292574.db2.gz AKVZKBJIPLAHMX-GFCCVEGCSA-N 1 0 351.378 2.489 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414359 560305606 /nfs/dbraw/zinc/30/56/06/560305606.db2.gz IFHCCORKGVCBRO-JQHSSLGASA-N 1 0 359.426 2.109 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000451543480 560313542 /nfs/dbraw/zinc/31/35/42/560313542.db2.gz BYYMXQVWZADCLI-FUHWJXTLSA-N 1 0 364.442 2.331 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451558283 560314592 /nfs/dbraw/zinc/31/45/92/560314592.db2.gz FTSWKENTORRKCG-WFASDCNBSA-N 1 0 351.403 2.289 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000451586428 560316077 /nfs/dbraw/zinc/31/60/77/560316077.db2.gz IFCJABFBQPRKAP-KGLIPLIRSA-N 1 0 352.387 2.304 20 5 FEBDRO CC(C)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451599697 560316756 /nfs/dbraw/zinc/31/67/56/560316756.db2.gz QTKJNGHNNNVTIQ-FUHWJXTLSA-N 1 0 351.447 2.436 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000451919770 560337350 /nfs/dbraw/zinc/33/73/50/560337350.db2.gz UGMKEMVXIRHJLF-HNNXBMFYSA-N 1 0 366.849 2.035 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000452176800 560354832 /nfs/dbraw/zinc/35/48/32/560354832.db2.gz VYFRIHDOVGPRTN-GFCCVEGCSA-N 1 0 370.409 2.405 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000453454338 560387059 /nfs/dbraw/zinc/38/70/59/560387059.db2.gz TXCZQHFOQNEKSW-XNRPHZJLSA-N 1 0 360.414 2.055 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H](CO)C[NH+]1CCCCC1 ZINC000454297353 560438476 /nfs/dbraw/zinc/43/84/76/560438476.db2.gz HJVSATOSSJRGDC-NSHDSACASA-N 1 0 356.810 2.217 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000454763480 560457273 /nfs/dbraw/zinc/45/72/73/560457273.db2.gz DDHFQFZWZFLJJM-DOMZBBRYSA-N 1 0 352.822 2.136 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)c1 ZINC000454950609 560464788 /nfs/dbraw/zinc/46/47/88/560464788.db2.gz BGSKTHBAQXDYTG-UHFFFAOYSA-N 1 0 357.414 2.413 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000455030519 560467895 /nfs/dbraw/zinc/46/78/95/560467895.db2.gz DFLKCQWOWKMXBZ-HNNXBMFYSA-N 1 0 369.425 2.398 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456040778 560505280 /nfs/dbraw/zinc/50/52/80/560505280.db2.gz FDHNOEJIWXLGDV-BLLLJJGKSA-N 1 0 357.414 2.453 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000456317405 560515002 /nfs/dbraw/zinc/51/50/02/560515002.db2.gz APSUPCSKPRLEOG-OAHLLOKOSA-N 1 0 371.441 2.405 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458200058 560608649 /nfs/dbraw/zinc/60/86/49/560608649.db2.gz RUWRXJQGQIUZPS-UHFFFAOYSA-N 1 0 361.402 2.381 20 5 FEBDRO CCn1ccnc1[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459054438 560664374 /nfs/dbraw/zinc/66/43/74/560664374.db2.gz IGNIYLYWBUFYTF-LBPRGKRZSA-N 1 0 359.386 2.345 20 5 FEBDRO CON1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000459574817 560694993 /nfs/dbraw/zinc/69/49/93/560694993.db2.gz FEGLNWBGIYYBAN-UHFFFAOYSA-N 1 0 356.810 2.144 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000460904982 560755066 /nfs/dbraw/zinc/75/50/66/560755066.db2.gz XLEWEXRGFWRZHT-UHFFFAOYSA-N 1 0 357.476 2.478 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000461646841 560778665 /nfs/dbraw/zinc/77/86/65/560778665.db2.gz FGPZXOATFOSHKQ-LBPRGKRZSA-N 1 0 351.403 2.232 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000462191672 560800990 /nfs/dbraw/zinc/80/09/90/560800990.db2.gz WAPVYQCESJFZOP-WMLDXEAASA-N 1 0 371.441 2.163 20 5 FEBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1NC(=O)CC[NH+](C)C ZINC000466242864 560882732 /nfs/dbraw/zinc/88/27/32/560882732.db2.gz QUWCUVSCVVMSAY-UHFFFAOYSA-N 1 0 373.413 2.384 20 5 FEBDRO [NH3+]CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000466989939 560901020 /nfs/dbraw/zinc/90/10/20/560901020.db2.gz RUAVSPWUDMYVAH-UHFFFAOYSA-N 1 0 370.409 2.354 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000468900240 560941905 /nfs/dbraw/zinc/94/19/05/560941905.db2.gz IACZBEVZAUSMFF-JEMSNHSXSA-N 1 0 357.414 2.341 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000470507629 560983602 /nfs/dbraw/zinc/98/36/02/560983602.db2.gz NTSYPYJTEKZFCU-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616744 560985920 /nfs/dbraw/zinc/98/59/20/560985920.db2.gz DYXGSTZQQZLVDD-JHJVBQTASA-N 1 0 373.450 2.379 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000471602495 561008405 /nfs/dbraw/zinc/00/84/05/561008405.db2.gz OOVNQKPSXZTVGQ-GDBMZVCRSA-N 1 0 356.430 2.492 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000472612992 561031049 /nfs/dbraw/zinc/03/10/49/561031049.db2.gz YUBSMKPDQSKUCR-FZMZJTMJSA-N 1 0 366.393 2.004 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000472644284 561031862 /nfs/dbraw/zinc/03/18/62/561031862.db2.gz UYNDWQYXNONETI-OAHLLOKOSA-N 1 0 368.409 2.155 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366092 561072256 /nfs/dbraw/zinc/07/22/56/561072256.db2.gz AKVOXOHWXTUFEM-GXTWGEPZSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(CNC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000474369897 561072401 /nfs/dbraw/zinc/07/24/01/561072401.db2.gz JAZAVKQUGQSYLG-UHFFFAOYSA-N 1 0 365.430 2.109 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000474378832 561072732 /nfs/dbraw/zinc/07/27/32/561072732.db2.gz PNHKGXYJQWDBDN-UHFFFAOYSA-N 1 0 360.366 2.445 20 5 FEBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926815 561085583 /nfs/dbraw/zinc/08/55/83/561085583.db2.gz BXUDEVMOGZBBFJ-XJKSGUPXSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000475753412 561104434 /nfs/dbraw/zinc/10/44/34/561104434.db2.gz XWBNEPJUVPAGPH-SJLPKXTDSA-N 1 0 350.415 2.227 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000530827894 562425308 /nfs/dbraw/zinc/42/53/08/562425308.db2.gz WQQXHUQOQJSDEQ-HNNXBMFYSA-N 1 0 362.430 2.101 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531296705 562441105 /nfs/dbraw/zinc/44/11/05/562441105.db2.gz NXKGNNPHSHDEPS-ZDUSSCGKSA-N 1 0 361.398 2.127 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000531306519 562441576 /nfs/dbraw/zinc/44/15/76/562441576.db2.gz PCWVFDHFRJCJPJ-GFCCVEGCSA-N 1 0 351.794 2.312 20 5 FEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000531627611 562452035 /nfs/dbraw/zinc/45/20/35/562452035.db2.gz ANHUCPLXPFXRSS-UHFFFAOYSA-N 1 0 357.370 2.132 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)nc2)CC1 ZINC000531914407 562461153 /nfs/dbraw/zinc/46/11/53/562461153.db2.gz SIFNFEVCQZVIFO-UHFFFAOYSA-N 1 0 370.413 2.168 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000532719432 562486647 /nfs/dbraw/zinc/48/66/47/562486647.db2.gz IUYMCLPIXZCMCB-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000533344639 562506076 /nfs/dbraw/zinc/50/60/76/562506076.db2.gz HFFUOQACJKKXEC-UHFFFAOYSA-N 1 0 365.430 2.094 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000534520327 562535743 /nfs/dbraw/zinc/53/57/43/562535743.db2.gz UUHOPQGXYYACCW-INIZCTEOSA-N 1 0 363.439 2.046 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000535015521 562547948 /nfs/dbraw/zinc/54/79/48/562547948.db2.gz UMMAVIJZNHGGHX-ZDUSSCGKSA-N 1 0 367.471 2.405 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000535257866 562554260 /nfs/dbraw/zinc/55/42/60/562554260.db2.gz RNESWUWHPGMNGR-CQSZACIVSA-N 1 0 371.393 2.226 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000536828077 562581189 /nfs/dbraw/zinc/58/11/89/562581189.db2.gz QDYQHPNSGSCAHY-LSDHHAIUSA-N 1 0 367.471 2.432 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114211 562603490 /nfs/dbraw/zinc/60/34/90/562603490.db2.gz KSCSPCPLJVWAJI-AWEZNQCLSA-N 1 0 364.446 2.067 20 5 FEBDRO CS[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000541843666 567958067 /nfs/dbraw/zinc/95/80/67/567958067.db2.gz HXOLGFAFJGXLOW-JKSUJKDBSA-N 1 0 364.471 2.045 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000568570352 568056956 /nfs/dbraw/zinc/05/69/56/568056956.db2.gz GNIVOKCUYOEUNM-INIZCTEOSA-N 1 0 364.446 2.372 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569102261 568275842 /nfs/dbraw/zinc/27/58/42/568275842.db2.gz NHWHBSKTFITVJI-VXGBXAGGSA-N 1 0 373.862 2.258 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569102253 568275891 /nfs/dbraw/zinc/27/58/91/568275891.db2.gz NHWHBSKTFITVJI-NEPJUHHUSA-N 1 0 373.862 2.258 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254992 568320977 /nfs/dbraw/zinc/32/09/77/568320977.db2.gz GOBPUKDLEWDKRW-OBJOEFQTSA-N 1 0 361.398 2.126 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483951 568342039 /nfs/dbraw/zinc/34/20/39/568342039.db2.gz UVWYDKFFFCBMAH-GOSISDBHSA-N 1 0 359.382 2.039 20 5 FEBDRO COC(=O)c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000569860743 568431185 /nfs/dbraw/zinc/43/11/85/568431185.db2.gz CGZRCEGBTIVDGI-HNNXBMFYSA-N 1 0 356.382 2.463 20 5 FEBDRO C[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+]1CC(C)C1 ZINC000570736251 568505399 /nfs/dbraw/zinc/50/53/99/568505399.db2.gz AYZCVUBIECCVDC-LLVKDONJSA-N 1 0 374.363 2.482 20 5 FEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000570749378 568510671 /nfs/dbraw/zinc/51/06/71/568510671.db2.gz SDBGXFSEORXEDR-JQHSSLGASA-N 1 0 374.441 2.330 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000570913995 568640579 /nfs/dbraw/zinc/64/05/79/568640579.db2.gz NENKCZYLMKRQQQ-GDBMZVCRSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920872 674427923 /nfs/dbraw/zinc/42/79/23/674427923.db2.gz PNPSDNDFPYTEOE-ZFWWWQNUSA-N 1 0 355.460 2.368 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000556922754 674427961 /nfs/dbraw/zinc/42/79/61/674427961.db2.gz FABKTGAZWDOTBS-GOEBONIOSA-N 1 0 369.487 2.320 20 5 FEBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000557466773 674449835 /nfs/dbraw/zinc/44/98/35/674449835.db2.gz IQBUUUZRZMGSRR-SNVBAGLBSA-N 1 0 358.236 2.214 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000808354129 674456052 /nfs/dbraw/zinc/45/60/52/674456052.db2.gz IWLQKVJMHUBXCW-LBPRGKRZSA-N 1 0 361.439 2.441 20 5 FEBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705149 674506161 /nfs/dbraw/zinc/50/61/61/674506161.db2.gz OVQDBYBLSVXCRX-ZBEGNZNMSA-N 1 0 366.805 2.201 20 5 FEBDRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809919864 674519663 /nfs/dbraw/zinc/51/96/63/674519663.db2.gz ILIDVCKRKUZYMR-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000688 606226799 /nfs/dbraw/zinc/22/67/99/606226799.db2.gz HXBDWLBUNZGEHF-UONOGXRCSA-N 1 0 357.418 2.228 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824563157 608482959 /nfs/dbraw/zinc/48/29/59/608482959.db2.gz MPFNVHRDSCLNCB-LLVKDONJSA-N 1 0 367.369 2.064 20 5 FEBDRO COC[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589266488 672517974 /nfs/dbraw/zinc/51/79/74/672517974.db2.gz UYMSVBLGFQLXKK-QMMMGPOBSA-N 1 0 350.156 2.324 20 5 FEBDRO CN(C)CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000563012895 674835069 /nfs/dbraw/zinc/83/50/69/674835069.db2.gz CXASNJBJDWLWKM-UHFFFAOYSA-N 1 0 369.487 2.080 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024817 674900767 /nfs/dbraw/zinc/90/07/67/674900767.db2.gz NNLPXXVIQXWERK-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750304 675077646 /nfs/dbraw/zinc/07/76/46/675077646.db2.gz LDLOYDINFHOUKB-HUUCEWRRSA-N 1 0 353.806 2.183 20 5 FEBDRO COc1c(C(=O)NCC2(SC)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000565335792 675112641 /nfs/dbraw/zinc/11/26/41/675112641.db2.gz HLRCZJFUMDOMGW-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000817297859 675119167 /nfs/dbraw/zinc/11/91/67/675119167.db2.gz WNWLKHLEUKBAGB-NSHDSACASA-N 1 0 371.821 2.360 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087835093 670688890 /nfs/dbraw/zinc/68/88/90/670688890.db2.gz NCBIZYDLOULQTA-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000101573142 670769134 /nfs/dbraw/zinc/76/91/34/670769134.db2.gz OXYTXDADDBFBSJ-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2c(F)cccc2F)cc1 ZINC000570849312 670777613 /nfs/dbraw/zinc/77/76/13/670777613.db2.gz YOZIKRZDROZLIV-UHFFFAOYSA-N 1 0 370.377 2.479 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113301001 670883380 /nfs/dbraw/zinc/88/33/80/670883380.db2.gz XTXHQXMAXUMPIO-GFCCVEGCSA-N 1 0 359.423 2.277 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000565922593 675161328 /nfs/dbraw/zinc/16/13/28/675161328.db2.gz MAXDQCFRJXXJHI-OAHLLOKOSA-N 1 0 350.419 2.390 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020280 675168330 /nfs/dbraw/zinc/16/83/30/675168330.db2.gz KWEUHUSUXAIZOQ-QLFBSQMISA-N 1 0 353.444 2.032 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000566063912 675176985 /nfs/dbraw/zinc/17/69/85/675176985.db2.gz QKDZKODQMKTFDX-OBJOEFQTSA-N 1 0 350.806 2.341 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000574240271 671217250 /nfs/dbraw/zinc/21/72/50/671217250.db2.gz JOGFBFPOMDLWHY-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000576699524 671387901 /nfs/dbraw/zinc/38/79/01/671387901.db2.gz PYQUQUBEOWPVRW-CQSZACIVSA-N 1 0 367.471 2.264 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269186 675916334 /nfs/dbraw/zinc/91/63/34/675916334.db2.gz MRAHZVQRRPHLGE-UONOGXRCSA-N 1 0 367.471 2.302 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])c1 ZINC000609386312 675920855 /nfs/dbraw/zinc/92/08/55/675920855.db2.gz OWULXSCZBNYRCA-CYBMUJFWSA-N 1 0 350.419 2.004 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476778 675923240 /nfs/dbraw/zinc/92/32/40/675923240.db2.gz RBZCVALAXXLCLF-FRRDWIJNSA-N 1 0 351.451 2.367 20 5 FEBDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578759940 671687995 /nfs/dbraw/zinc/68/79/95/671687995.db2.gz PZYRWPDDAIQMCB-LYRGGWFBSA-N 1 0 368.821 2.171 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609876139 675940821 /nfs/dbraw/zinc/94/08/21/675940821.db2.gz TXVULXJRKSSXRU-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000122459085 671967029 /nfs/dbraw/zinc/96/70/29/671967029.db2.gz JTTCQAVPCBCHPX-OLZOCXBDSA-N 1 0 353.423 2.374 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000122481245 671967172 /nfs/dbraw/zinc/96/71/72/671967172.db2.gz VWCMMVSKIYYONT-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000123550024 671981644 /nfs/dbraw/zinc/98/16/44/671981644.db2.gz VKHZLSRYYZRRNV-UHFFFAOYSA-N 1 0 367.349 2.162 20 5 FEBDRO CC(C)[NH2+]CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000582360533 671994147 /nfs/dbraw/zinc/99/41/47/671994147.db2.gz RUWBGXRWELVLOT-UHFFFAOYSA-N 1 0 358.236 2.404 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)cn1 ZINC000582372430 671995674 /nfs/dbraw/zinc/99/56/74/671995674.db2.gz WVVFQBANRNGZBL-QGZVFWFLSA-N 1 0 350.419 2.045 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000124881428 672003432 /nfs/dbraw/zinc/00/34/32/672003432.db2.gz VTORUBRNJYHHAZ-UHFFFAOYSA-N 1 0 361.851 2.447 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000131539949 672089162 /nfs/dbraw/zinc/08/91/62/672089162.db2.gz CRZSDZHINYFWOP-OAHLLOKOSA-N 1 0 366.849 2.162 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000583991871 672145240 /nfs/dbraw/zinc/14/52/40/672145240.db2.gz ANSMDVZIPWHZDD-YOEHRIQHSA-N 1 0 368.455 2.260 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000584811167 672217728 /nfs/dbraw/zinc/21/77/28/672217728.db2.gz QQRKTZCBOSWNFK-CQSZACIVSA-N 1 0 357.476 2.177 20 5 FEBDRO CN1CC[NH+](CC2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000589194365 672512563 /nfs/dbraw/zinc/51/25/63/672512563.db2.gz BGPZECOUESVRCR-UHFFFAOYSA-N 1 0 350.438 2.193 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045379 672555994 /nfs/dbraw/zinc/55/59/94/672555994.db2.gz QEHKSHNBZMFHDX-YGRLFVJLSA-N 1 0 368.231 2.442 20 5 FEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000590387115 672576828 /nfs/dbraw/zinc/57/68/28/672576828.db2.gz FALDCJBGNNSEBY-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000590591069 672593726 /nfs/dbraw/zinc/59/37/26/672593726.db2.gz HPEHNABCBPVSBQ-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590591635 672594012 /nfs/dbraw/zinc/59/40/12/672594012.db2.gz VOMQCAKEUCSZHA-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO CC1(C)CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000591845993 672715828 /nfs/dbraw/zinc/71/58/28/672715828.db2.gz GLUHUQYSGWEVCK-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1C ZINC000193814915 672737235 /nfs/dbraw/zinc/73/72/35/672737235.db2.gz QOVDAVLLTSTJCO-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193907842 672740573 /nfs/dbraw/zinc/74/05/73/672740573.db2.gz UYKXVVYYTCWZAJ-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194336557 672756631 /nfs/dbraw/zinc/75/66/31/672756631.db2.gz VODIWYZXOVBCBJ-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000592372609 672793324 /nfs/dbraw/zinc/79/33/24/672793324.db2.gz CAMXDYNTMKCYKJ-UHFFFAOYSA-N 1 0 371.459 2.194 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381049 672794934 /nfs/dbraw/zinc/79/49/34/672794934.db2.gz ZJHAEEQBNSPEQC-NXEZZACHSA-N 1 0 367.349 2.162 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390393 672796706 /nfs/dbraw/zinc/79/67/06/672796706.db2.gz IEACXPOQZARVLW-CABCVRRESA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592391184 672796798 /nfs/dbraw/zinc/79/67/98/672796798.db2.gz ZKHAOMVBAZGCQL-CABCVRRESA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000592392880 672797184 /nfs/dbraw/zinc/79/71/84/672797184.db2.gz BQKBQDBUHWOLAA-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592543837 672812740 /nfs/dbraw/zinc/81/27/40/672812740.db2.gz PFOQTHSXJXDJND-CQSZACIVSA-N 1 0 367.471 2.293 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592543828 672812871 /nfs/dbraw/zinc/81/28/71/672812871.db2.gz ODSBCQXUPUJADW-UHFFFAOYSA-N 1 0 353.444 2.176 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593060905 672870263 /nfs/dbraw/zinc/87/02/63/672870263.db2.gz FMKRHUJYKWOXED-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593580989 672950388 /nfs/dbraw/zinc/95/03/88/672950388.db2.gz LFPKLZOTGMVUOW-UHFFFAOYSA-N 1 0 370.475 2.265 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593658620 672972980 /nfs/dbraw/zinc/97/29/80/672972980.db2.gz QKIJMORTYODXRY-UHFFFAOYSA-N 1 0 370.837 2.281 20 5 FEBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593674399 672976805 /nfs/dbraw/zinc/97/68/05/672976805.db2.gz RRRLHZSQKPYKRB-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000593700944 672980768 /nfs/dbraw/zinc/98/07/68/672980768.db2.gz WGWRZQOFEIXJLW-GFCCVEGCSA-N 1 0 365.821 2.057 20 5 FEBDRO [NH3+]CC1(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000593729791 672983714 /nfs/dbraw/zinc/98/37/14/672983714.db2.gz APQXTYSWXJQEGT-UHFFFAOYSA-N 1 0 367.349 2.021 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000594106163 673031828 /nfs/dbraw/zinc/03/18/28/673031828.db2.gz NXTYHYDSEPSGCP-TXEJJXNPSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484925 673088322 /nfs/dbraw/zinc/08/83/22/673088322.db2.gz YCUIECZGBCMNTJ-KGLIPLIRSA-N 1 0 353.444 2.198 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@](C)(CO)OC)o2)c([N+](=O)[O-])c1 ZINC000594508565 673094717 /nfs/dbraw/zinc/09/47/17/673094717.db2.gz DCLKXWPABBBORB-KRWDZBQOSA-N 1 0 350.371 2.350 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000594576057 673101279 /nfs/dbraw/zinc/10/12/79/673101279.db2.gz ZEMLNRVJIIOINF-NVXWUHKLSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000594761979 673133430 /nfs/dbraw/zinc/13/34/30/673133430.db2.gz SSKGULPFRUYFMO-UHFFFAOYSA-N 1 0 368.459 2.065 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799289 673146805 /nfs/dbraw/zinc/14/68/05/673146805.db2.gz LRRCFBRBGNNPQP-ZDUSSCGKSA-N 1 0 355.460 2.308 20 5 FEBDRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)c([N+](=O)[O-])cc1O ZINC000594975518 673182134 /nfs/dbraw/zinc/18/21/34/673182134.db2.gz WHYIUMRVBIFVER-UHFFFAOYSA-N 1 0 372.443 2.146 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594995993 673184418 /nfs/dbraw/zinc/18/44/18/673184418.db2.gz PTURVEOQUAGQFI-ZDUSSCGKSA-N 1 0 352.387 2.051 20 5 FEBDRO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595061621 673190163 /nfs/dbraw/zinc/19/01/63/673190163.db2.gz SORFEPPFDAAJOS-ZIAGYGMSSA-N 1 0 370.475 2.080 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000595077990 673191185 /nfs/dbraw/zinc/19/11/85/673191185.db2.gz MOBGFMAUHJUUPV-SJLPKXTDSA-N 1 0 350.415 2.075 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595115943 673195852 /nfs/dbraw/zinc/19/58/52/673195852.db2.gz OCYGISZTSSJDTR-INIZCTEOSA-N 1 0 367.471 2.136 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595115577 673195854 /nfs/dbraw/zinc/19/58/54/673195854.db2.gz ISHXRULMXYDYKA-MRXNPFEDSA-N 1 0 367.471 2.136 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595115595 673195896 /nfs/dbraw/zinc/19/58/96/673195896.db2.gz JOYJWVFNLKECQT-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312443 673221643 /nfs/dbraw/zinc/22/16/43/673221643.db2.gz MOWQIGCGOBFRFE-KRWDZBQOSA-N 1 0 350.438 2.336 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410396 673245737 /nfs/dbraw/zinc/24/57/37/673245737.db2.gz LMOJGDRMCCOGLD-HNNXBMFYSA-N 1 0 367.471 2.136 20 5 FEBDRO COCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000595498593 673258551 /nfs/dbraw/zinc/25/85/51/673258551.db2.gz GBBRORJQGHOUFV-UHFFFAOYSA-N 1 0 351.403 2.017 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CCO)CCCC1 ZINC000595507853 673259069 /nfs/dbraw/zinc/25/90/69/673259069.db2.gz ATIONGNBWXDBLI-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636417 673277102 /nfs/dbraw/zinc/27/71/02/673277102.db2.gz YWLQQASJROLMEJ-NJZAAPMLSA-N 1 0 356.394 2.398 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000595937205 673341886 /nfs/dbraw/zinc/34/18/86/673341886.db2.gz SYKQWVIKZWFSGT-LBPRGKRZSA-N 1 0 350.394 2.168 20 5 FEBDRO C[C@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596067707 673355588 /nfs/dbraw/zinc/35/55/88/673355588.db2.gz QRBBIVVMGNNKPH-SUMWQHHRSA-N 1 0 364.423 2.080 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1N1CCOCC1 ZINC000596091089 673358034 /nfs/dbraw/zinc/35/80/34/673358034.db2.gz HLIKLHBGNDOXHA-GFCCVEGCSA-N 1 0 350.394 2.219 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596120757 673360811 /nfs/dbraw/zinc/36/08/11/673360811.db2.gz DMAXZNIJAIIOSH-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596123792 673361208 /nfs/dbraw/zinc/36/12/08/673361208.db2.gz QCSIBSAIZPUEDN-NSHDSACASA-N 1 0 370.837 2.083 20 5 FEBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596477558 673388548 /nfs/dbraw/zinc/38/85/48/673388548.db2.gz BFHMMLDFLRQGNY-GFCCVEGCSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000596639608 673399840 /nfs/dbraw/zinc/39/98/40/673399840.db2.gz XGFHDLDBKXGHCB-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596843786 673419237 /nfs/dbraw/zinc/41/92/37/673419237.db2.gz VAZJKJTVJYDQLH-AWEZNQCLSA-N 1 0 351.451 2.297 20 5 FEBDRO Nc1c(NC(=O)N2CC[NH+](CC3CC3)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095325 673446965 /nfs/dbraw/zinc/44/69/65/673446965.db2.gz SMQPTPYPFHMMSP-UHFFFAOYSA-N 1 0 353.810 2.390 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000597700949 673500522 /nfs/dbraw/zinc/50/05/22/673500522.db2.gz PGVNNJDAYWFMJQ-OCCSQVGLSA-N 1 0 367.471 2.388 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597705566 673500891 /nfs/dbraw/zinc/50/08/91/673500891.db2.gz HLNWGZPBVFRJDA-UHFFFAOYSA-N 1 0 356.220 2.299 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348632 673535359 /nfs/dbraw/zinc/53/53/59/673535359.db2.gz RNOYGKSJMYGBES-ZIAGYGMSSA-N 1 0 350.419 2.066 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598603708 673588508 /nfs/dbraw/zinc/58/85/08/673588508.db2.gz ZAVKNRKPTFPGED-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610440 673590079 /nfs/dbraw/zinc/59/00/79/673590079.db2.gz BVQSOPWFICELMZ-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598610464 673590169 /nfs/dbraw/zinc/59/01/69/673590169.db2.gz NZNCYKDMUUZIKY-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598667855 673596462 /nfs/dbraw/zinc/59/64/62/673596462.db2.gz NHGSPSYNYOKZIH-QMTHXVAHSA-N 1 0 354.204 2.311 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1[N+](=O)[O-] ZINC000598713946 673602343 /nfs/dbraw/zinc/60/23/43/673602343.db2.gz FGECZIKYHWVVPV-ZDUSSCGKSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598716588 673602941 /nfs/dbraw/zinc/60/29/41/673602941.db2.gz OIIFSBNSNDREJL-UHFFFAOYSA-N 1 0 356.220 2.488 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000598912832 673620856 /nfs/dbraw/zinc/62/08/56/673620856.db2.gz BATCXLBQKXULBD-NSHDSACASA-N 1 0 368.821 2.467 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599106793 673633761 /nfs/dbraw/zinc/63/37/61/673633761.db2.gz JKFPNDYBHXNGEU-ZDUSSCGKSA-N 1 0 359.835 2.120 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222639 676165462 /nfs/dbraw/zinc/16/54/62/676165462.db2.gz QPBKSJLZIBDBHW-INIZCTEOSA-N 1 0 350.415 2.227 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000740841183 673656763 /nfs/dbraw/zinc/65/67/63/673656763.db2.gz NAWFCLSEFDDABY-DGCLKSJQSA-N 1 0 350.375 2.448 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632062 673699738 /nfs/dbraw/zinc/69/97/38/673699738.db2.gz TXXVWDHIHCMLMK-XESHVACXSA-N 1 0 365.455 2.217 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599632327 673699875 /nfs/dbraw/zinc/69/98/75/673699875.db2.gz ZRWUWRXZCYGRLG-JXQWACKNSA-N 1 0 365.455 2.217 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000544628026 673721810 /nfs/dbraw/zinc/72/18/10/673721810.db2.gz TVYUHJBUZVJZMO-AWEZNQCLSA-N 1 0 366.487 2.071 20 5 FEBDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600210235 673749340 /nfs/dbraw/zinc/74/93/40/673749340.db2.gz QVBFGPMSTRVJEV-RRCSTGOVSA-N 1 0 352.456 2.471 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)cc1 ZINC000546089124 673791857 /nfs/dbraw/zinc/79/18/57/673791857.db2.gz RSDNEHNPDIMFJZ-AWEZNQCLSA-N 1 0 363.805 2.258 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601342337 673845464 /nfs/dbraw/zinc/84/54/64/673845464.db2.gz UZVGGNYYSULKLF-CYBMUJFWSA-N 1 0 371.434 2.053 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601374103 673850769 /nfs/dbraw/zinc/85/07/69/673850769.db2.gz ALDZRYBPFOUKAD-NEPJUHHUSA-N 1 0 359.473 2.070 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000601428023 673860719 /nfs/dbraw/zinc/86/07/19/673860719.db2.gz JZHXNNYPJSBOGG-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000601967023 673900472 /nfs/dbraw/zinc/90/04/72/673900472.db2.gz HLWMNXXFFQLYQE-JTQLQIEISA-N 1 0 350.322 2.022 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000602492873 673907113 /nfs/dbraw/zinc/90/71/13/673907113.db2.gz YYMBJBMTADFRHB-MWLCHTKSSA-N 1 0 354.204 2.181 20 5 FEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000602531693 673907277 /nfs/dbraw/zinc/90/72/77/673907277.db2.gz XBJOXVIJALPMJW-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528006 673907425 /nfs/dbraw/zinc/90/74/25/673907425.db2.gz AHMAVMWNDPGRCC-IINYFYTJSA-N 1 0 353.806 2.416 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000602540657 673907607 /nfs/dbraw/zinc/90/76/07/673907607.db2.gz MQORCDZMOBBGBG-BXKDBHETSA-N 1 0 361.320 2.203 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541485 673907625 /nfs/dbraw/zinc/90/76/25/673907625.db2.gz PKJAUZOUZCCBJS-OLZOCXBDSA-N 1 0 359.348 2.431 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602538263 673907675 /nfs/dbraw/zinc/90/76/75/673907675.db2.gz BVGNMXDAWNYFQX-GHMZBOCLSA-N 1 0 361.320 2.203 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1 ZINC000602729494 673910073 /nfs/dbraw/zinc/91/00/73/673910073.db2.gz RVGKIXCEYJKFAD-PIGZYNQJSA-N 1 0 350.371 2.012 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H]1CC[NH2+]C1 ZINC000818544498 675224834 /nfs/dbraw/zinc/22/48/34/675224834.db2.gz DPYRQRFDKSUEAN-GFCCVEGCSA-N 1 0 350.375 2.334 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000819190915 675268334 /nfs/dbraw/zinc/26/83/34/675268334.db2.gz LVBBDBULCLGDIV-KRWDZBQOSA-N 1 0 353.419 2.003 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819211215 675270144 /nfs/dbraw/zinc/27/01/44/675270144.db2.gz WOSMKRJAXBLLFO-QGZVFWFLSA-N 1 0 364.423 2.212 20 5 FEBDRO Cc1noc(C)c1C[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567690388 675313039 /nfs/dbraw/zinc/31/30/39/675313039.db2.gz AFGQWKOCGAXSBS-NSHDSACASA-N 1 0 367.427 2.194 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCC[N@H+]1CCCO ZINC000820990307 675405063 /nfs/dbraw/zinc/40/50/63/675405063.db2.gz NLRSJRAGOQKGPS-CYBMUJFWSA-N 1 0 369.849 2.144 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000822977818 675520776 /nfs/dbraw/zinc/52/07/76/675520776.db2.gz BJQQTHCWZOPLQD-UHFFFAOYSA-N 1 0 350.463 2.167 20 5 FEBDRO O=C(N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824831192 675624262 /nfs/dbraw/zinc/62/42/62/675624262.db2.gz VMJWORRRIFXJCI-YPMHNXCESA-N 1 0 357.332 2.437 20 5 FEBDRO Cc1c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825207059 675641677 /nfs/dbraw/zinc/64/16/77/675641677.db2.gz CGGCMIGCECVUGG-JTQLQIEISA-N 1 0 364.280 2.129 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000825449844 675653582 /nfs/dbraw/zinc/65/35/82/675653582.db2.gz CDXFVFLTSVHGJZ-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825797236 675669492 /nfs/dbraw/zinc/66/94/92/675669492.db2.gz SJNBQYHJDTTZKI-JTQLQIEISA-N 1 0 371.235 2.357 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930593 675802353 /nfs/dbraw/zinc/80/23/53/675802353.db2.gz ZEFPATWSZOQXSH-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000829243892 675871718 /nfs/dbraw/zinc/87/17/18/675871718.db2.gz MTOVYLALDRYKTL-LLVKDONJSA-N 1 0 352.391 2.224 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000616135992 676240543 /nfs/dbraw/zinc/24/05/43/676240543.db2.gz JEHDEPCCRSFJAO-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000619474054 676378999 /nfs/dbraw/zinc/37/89/99/676378999.db2.gz UOVYLBXRNDQPIT-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000830462000 677041009 /nfs/dbraw/zinc/04/10/09/677041009.db2.gz KWEINLXZEKQFBR-JTQLQIEISA-N 1 0 371.235 2.309 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000839486573 680755964 /nfs/dbraw/zinc/75/59/64/680755964.db2.gz HCEVRRCPYHUBOJ-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839682550 680771826 /nfs/dbraw/zinc/77/18/26/680771826.db2.gz FRRGEJXUELVWFP-MGPQQGTHSA-N 1 0 357.332 2.061 20 5 FEBDRO Cc1nn(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(C)c1[N+](=O)[O-] ZINC000840137271 680801508 /nfs/dbraw/zinc/80/15/08/680801508.db2.gz FSOBUXQMEJAVHP-CABCVRRESA-N 1 0 350.419 2.373 20 5 FEBDRO COC(=O)c1cc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000747575783 679891337 /nfs/dbraw/zinc/89/13/37/679891337.db2.gz NBXNUMBVYQNSLO-AWEZNQCLSA-N 1 0 350.371 2.413 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2ccccc2Cl)CC1 ZINC000981138143 680217160 /nfs/dbraw/zinc/21/71/60/680217160.db2.gz MOAIBYMCUNVKGV-GDBMZVCRSA-N 1 0 351.834 2.082 20 5 FEBDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072658 680221937 /nfs/dbraw/zinc/22/19/37/680221937.db2.gz JFXTXDIMCIEULZ-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)F ZINC000834832783 680274755 /nfs/dbraw/zinc/27/47/55/680274755.db2.gz ZCBQRTDUGZNCTD-CYBMUJFWSA-N 1 0 356.373 2.297 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983649791 680317482 /nfs/dbraw/zinc/31/74/82/680317482.db2.gz SBJIHHDCQOFQDW-QGMIFYJMSA-N 1 0 355.797 2.129 20 5 FEBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000996429739 680332436 /nfs/dbraw/zinc/33/24/36/680332436.db2.gz VODMVTBSHKINKY-GDBMZVCRSA-N 1 0 351.834 2.394 20 5 FEBDRO O=C(NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000754251371 680345695 /nfs/dbraw/zinc/34/56/95/680345695.db2.gz RYGXLXNXWQOIJX-INIZCTEOSA-N 1 0 363.801 2.301 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754380399 680352582 /nfs/dbraw/zinc/35/25/82/680352582.db2.gz CVKHOICIBOXCJZ-UKRRQHHQSA-N 1 0 352.412 2.109 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000997768930 680365834 /nfs/dbraw/zinc/36/58/34/680365834.db2.gz KYFKABPHTZBARC-HUUCEWRRSA-N 1 0 364.471 2.014 20 5 FEBDRO C[N@H+](Cc1sccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431536 680447580 /nfs/dbraw/zinc/44/75/80/680447580.db2.gz QTHTUQYQMKUGNL-DGCLKSJQSA-N 1 0 357.863 2.490 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000757232674 680520113 /nfs/dbraw/zinc/52/01/13/680520113.db2.gz UQQTUQUNVVCDQJ-UHFFFAOYSA-N 1 0 366.809 2.328 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841523891 680891421 /nfs/dbraw/zinc/89/14/21/680891421.db2.gz IIRLIQPRKGMASP-QMMMGPOBSA-N 1 0 368.242 2.132 20 5 FEBDRO [NH3+]CCCCCCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000842471849 680949316 /nfs/dbraw/zinc/94/93/16/680949316.db2.gz DBEBTUCEQNYVMK-UHFFFAOYSA-N 1 0 354.476 2.323 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842482647 680950024 /nfs/dbraw/zinc/95/00/24/680950024.db2.gz UDBWYTSXWFDFID-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000842859673 680971731 /nfs/dbraw/zinc/97/17/31/680971731.db2.gz KZMZUXQPBDMAKO-LLVKDONJSA-N 1 0 361.851 2.449 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769390256 680980505 /nfs/dbraw/zinc/98/05/05/680980505.db2.gz SOTMTCGNVQPGPI-UKRRQHHQSA-N 1 0 351.403 2.227 20 5 FEBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843102482 680987821 /nfs/dbraw/zinc/98/78/21/680987821.db2.gz XBWPTJWPFYRVHQ-INWMFGNUSA-N 1 0 350.371 2.029 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843355593 680999578 /nfs/dbraw/zinc/99/95/78/680999578.db2.gz WZDDBORVADTIGR-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843501234 681007362 /nfs/dbraw/zinc/00/73/62/681007362.db2.gz FZOVNAIQKXJHBD-NRUUGDAUSA-N 1 0 350.375 2.257 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000843759090 681016891 /nfs/dbraw/zinc/01/68/91/681016891.db2.gz GUKIFWUYSRXVLG-VXGBXAGGSA-N 1 0 353.394 2.271 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000843867500 681022879 /nfs/dbraw/zinc/02/28/79/681022879.db2.gz KZICMEIJLGLNOZ-GFCCVEGCSA-N 1 0 353.394 2.273 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771769056 681068807 /nfs/dbraw/zinc/06/88/07/681068807.db2.gz MXUDAADPVUFQBN-GFCCVEGCSA-N 1 0 359.423 2.195 20 5 FEBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C[N@@H+]1C ZINC000844643416 681070152 /nfs/dbraw/zinc/07/01/52/681070152.db2.gz RFIILMARVNXINP-TUAOUCFPSA-N 1 0 352.410 2.353 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000846233721 681207358 /nfs/dbraw/zinc/20/73/58/681207358.db2.gz VVYYYVXZAYHXSJ-UHFFFAOYSA-N 1 0 367.402 2.240 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846747079 681285179 /nfs/dbraw/zinc/28/51/79/681285179.db2.gz KTWAIYVXPXJRIQ-IINYFYTJSA-N 1 0 350.375 2.401 20 5 FEBDRO CC[N@H+](C)C[C@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997556 681318282 /nfs/dbraw/zinc/31/82/82/681318282.db2.gz UOSIHLNMWBMXJO-RNCFNFMXSA-N 1 0 353.316 2.240 20 5 FEBDRO CC[N@H+](C)C[C@@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997557 681318617 /nfs/dbraw/zinc/31/86/17/681318617.db2.gz UOSIHLNMWBMXJO-TVQRCGJNSA-N 1 0 353.316 2.240 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000847183598 681341720 /nfs/dbraw/zinc/34/17/20/681341720.db2.gz RAINGJZDFKCLBR-JGZJWPJOSA-N 1 0 356.220 2.427 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000776600698 681414130 /nfs/dbraw/zinc/41/41/30/681414130.db2.gz FGMFXINDDVUJPU-KBXCAEBGSA-N 1 0 350.415 2.146 20 5 FEBDRO CS[C@H](C)CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934044493 681500684 /nfs/dbraw/zinc/50/06/84/681500684.db2.gz BSDBYMRHMIMPRL-GFCCVEGCSA-N 1 0 367.475 2.220 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800354 681531774 /nfs/dbraw/zinc/53/17/74/681531774.db2.gz PCBYMXDNZZFWPR-WDEREUQCSA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000848475427 681558052 /nfs/dbraw/zinc/55/80/52/681558052.db2.gz QKBVIODMGYDSHZ-PHIMTYICSA-N 1 0 361.851 2.175 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582884 681582791 /nfs/dbraw/zinc/58/27/91/681582791.db2.gz RKLXVFDAWMKQBV-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582686 681582860 /nfs/dbraw/zinc/58/28/60/681582860.db2.gz PFEHYMFFXVZJQZ-GFCCVEGCSA-N 1 0 357.357 2.413 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934722920 681615836 /nfs/dbraw/zinc/61/58/36/681615836.db2.gz DPXOOKCNPHUOMM-AWEZNQCLSA-N 1 0 365.455 2.300 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000935444717 681751917 /nfs/dbraw/zinc/75/19/17/681751917.db2.gz ADZHDLMJOLGMTD-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000913532919 685479419 /nfs/dbraw/zinc/47/94/19/685479419.db2.gz GLHVAOOWDHZTBY-TXEJJXNPSA-N 1 0 368.231 2.205 20 5 FEBDRO CC[N@@H+](Cc1cc(C)ns1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713306 681918626 /nfs/dbraw/zinc/91/86/26/681918626.db2.gz WWFIXNQOEPZGIO-HZPDHXFCSA-N 1 0 366.487 2.177 20 5 FEBDRO CC[N@@H+](Cc1cnc(C)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713056 681918979 /nfs/dbraw/zinc/91/89/79/681918979.db2.gz JKZDHAGXSNCECY-HZPDHXFCSA-N 1 0 366.487 2.177 20 5 FEBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000850607057 681925135 /nfs/dbraw/zinc/92/51/35/681925135.db2.gz OXPCHRBLQCEKFE-LLVKDONJSA-N 1 0 368.821 2.129 20 5 FEBDRO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000781629657 681954117 /nfs/dbraw/zinc/95/41/17/681954117.db2.gz XWKZPKQFEUBHCF-NSHDSACASA-N 1 0 350.375 2.035 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852787064 682342955 /nfs/dbraw/zinc/34/29/55/682342955.db2.gz NJRRREGJSSSNQY-JTQLQIEISA-N 1 0 363.805 2.320 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000853132523 682380871 /nfs/dbraw/zinc/38/08/71/682380871.db2.gz WLJTWSUSTOHOAX-LSDHHAIUSA-N 1 0 356.300 2.369 20 5 FEBDRO O=[N+]([O-])c1cn(CN2CCS[C@H]3COCC[C@@H]32)nc1-c1ccccn1 ZINC000853503997 682424492 /nfs/dbraw/zinc/42/44/92/682424492.db2.gz XGAOJCWYOWEOTK-ZFWWWQNUSA-N 1 0 361.427 2.017 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000788962176 682570335 /nfs/dbraw/zinc/57/03/35/682570335.db2.gz HOBDDICPFJGYAW-AWEZNQCLSA-N 1 0 366.395 2.031 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854651565 682575391 /nfs/dbraw/zinc/57/53/91/682575391.db2.gz DTVBKODMHDPHST-WCQYABFASA-N 1 0 350.375 2.284 20 5 FEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)C2 ZINC000854736217 682587595 /nfs/dbraw/zinc/58/75/95/682587595.db2.gz CJYBJEMDEHLWEU-INIZCTEOSA-N 1 0 361.427 2.157 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000855159100 682634001 /nfs/dbraw/zinc/63/40/01/682634001.db2.gz APCBEBBMKGOGQX-LBPRGKRZSA-N 1 0 353.394 2.349 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000855897753 682723284 /nfs/dbraw/zinc/72/32/84/682723284.db2.gz GHULBUOTXJWLQQ-LBPRGKRZSA-N 1 0 350.375 2.353 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791337879 682736062 /nfs/dbraw/zinc/73/60/62/682736062.db2.gz XQFNFAXHNKGOAX-UTUOFQBUSA-N 1 0 352.410 2.412 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856431623 682781209 /nfs/dbraw/zinc/78/12/09/682781209.db2.gz UEWYMTVZXVYBPV-ZDUSSCGKSA-N 1 0 353.394 2.225 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000857233926 682867825 /nfs/dbraw/zinc/86/78/25/682867825.db2.gz ICJUNAOUWFNZJM-QMTHXVAHSA-N 1 0 359.835 2.059 20 5 FEBDRO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000926076700 683073097 /nfs/dbraw/zinc/07/30/97/683073097.db2.gz KTWKVVZAFIVOHE-BDAKNGLRSA-N 1 0 357.208 2.334 20 5 FEBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795940964 683110717 /nfs/dbraw/zinc/11/07/17/683110717.db2.gz YYYGAVANIKXUPC-UHFFFAOYSA-N 1 0 353.803 2.006 20 5 FEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224735 683323996 /nfs/dbraw/zinc/32/39/96/683323996.db2.gz RVENDKCZZJIFCB-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798229003 683325418 /nfs/dbraw/zinc/32/54/18/683325418.db2.gz VVZCVTRRUODTQW-QMMMGPOBSA-N 1 0 353.803 2.006 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000921992217 683633193 /nfs/dbraw/zinc/63/31/93/683633193.db2.gz ZUUOOFJILMCTBD-QLFBSQMISA-N 1 0 368.455 2.163 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862790839 683634397 /nfs/dbraw/zinc/63/43/97/683634397.db2.gz AETBUCMAHQIXFC-GFCCVEGCSA-N 1 0 350.375 2.273 20 5 FEBDRO CO[C@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922615952 683754759 /nfs/dbraw/zinc/75/47/59/683754759.db2.gz PPLZWFGUMYALCA-INIZCTEOSA-N 1 0 356.444 2.012 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930716673 683775519 /nfs/dbraw/zinc/77/55/19/683775519.db2.gz PNDMYLBLKYFGSL-GJZGRUSLSA-N 1 0 357.451 2.047 20 5 FEBDRO CC[NH+](CC)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864387728 683845172 /nfs/dbraw/zinc/84/51/72/683845172.db2.gz VDGJOWVBXDABPU-UHFFFAOYSA-N 1 0 358.236 2.358 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866342367 684093246 /nfs/dbraw/zinc/09/32/46/684093246.db2.gz FQIKLMLIDUJLLX-XGWLTEMNSA-N 1 0 356.394 2.075 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000866819780 684160577 /nfs/dbraw/zinc/16/05/77/684160577.db2.gz KDWGQCIFPARUNB-RYUDHWBXSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866820846 684160784 /nfs/dbraw/zinc/16/07/84/684160784.db2.gz WVKVOJJWNCKPBJ-WCQYABFASA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827008 684162388 /nfs/dbraw/zinc/16/23/88/684162388.db2.gz GWNYJZWKMCPINS-VXGBXAGGSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1F ZINC000867268359 684235554 /nfs/dbraw/zinc/23/55/54/684235554.db2.gz RJTCWBVUFUUSEC-TZMCWYRMSA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308591 684243666 /nfs/dbraw/zinc/24/36/66/684243666.db2.gz KTYMABSTNUIMLH-GZMMTYOYSA-N 1 0 365.814 2.100 20 5 FEBDRO CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@](C)(C[NH3+])C1 ZINC000923413150 684277645 /nfs/dbraw/zinc/27/76/45/684277645.db2.gz UCTRLCJZSKOZAG-GXTWGEPZSA-N 1 0 358.236 2.295 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434826 684282831 /nfs/dbraw/zinc/28/28/31/684282831.db2.gz XYWNVDYGCVFUHG-FRRDWIJNSA-N 1 0 366.849 2.459 20 5 FEBDRO C[NH+](C)CC1(O)CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931479690 684289251 /nfs/dbraw/zinc/28/92/51/684289251.db2.gz YTZSTJIECDYXSK-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO Cc1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000868354016 684485287 /nfs/dbraw/zinc/48/52/87/684485287.db2.gz BHBJMDNPWOPNMX-INIZCTEOSA-N 1 0 352.460 2.140 20 5 FEBDRO Cc1cc(N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872656052 684997414 /nfs/dbraw/zinc/99/74/14/684997414.db2.gz RCTWCKWSNULOSG-QWHCGFSZSA-N 1 0 361.423 2.322 20 5 FEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000877335288 686356509 /nfs/dbraw/zinc/35/65/09/686356509.db2.gz AXBCCRZXFQZDNS-GFCCVEGCSA-N 1 0 353.806 2.137 20 5 FEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000877337232 686357066 /nfs/dbraw/zinc/35/70/66/686357066.db2.gz SDEMNJLTBDDNJM-NSHDSACASA-N 1 0 353.806 2.137 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)c3cc(F)c(F)c(F)c3)C2)c1 ZINC000877642230 686428692 /nfs/dbraw/zinc/42/86/92/686428692.db2.gz HUYRYXGWLZKRGQ-FDZGAKKTSA-N 1 0 356.304 2.235 20 5 FEBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000879274398 686784617 /nfs/dbraw/zinc/78/46/17/686784617.db2.gz PSALDCMADIVLHP-DLBZAZTESA-N 1 0 352.337 2.404 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879320933 686794598 /nfs/dbraw/zinc/79/45/98/686794598.db2.gz KDTJAJRQQUFEIW-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951089 687971765 /nfs/dbraw/zinc/97/17/65/687971765.db2.gz XLWPVQBSUWOEJI-NWDGAFQWSA-N 1 0 359.835 2.153 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885861323 688171072 /nfs/dbraw/zinc/17/10/72/688171072.db2.gz RVGFULIHRQZQHR-ZDUSSCGKSA-N 1 0 365.455 2.300 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412363 688248568 /nfs/dbraw/zinc/24/85/68/688248568.db2.gz CYSYVXRVQFNNAM-ZDUSSCGKSA-N 1 0 353.423 2.123 20 5 FEBDRO C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000893412588 689344227 /nfs/dbraw/zinc/34/42/27/689344227.db2.gz NPOZINGEOBSVIC-GUYCJALGSA-N 1 0 366.487 2.435 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@H]3CCCCO3)CC2)cn1 ZINC000894792878 689597360 /nfs/dbraw/zinc/59/73/60/689597360.db2.gz FDUAEWXAMJQLQS-KRWDZBQOSA-N 1 0 350.419 2.091 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1Br ZINC000896855562 689939801 /nfs/dbraw/zinc/93/98/01/689939801.db2.gz BGIOXIBTWOFQPZ-FYBVGQRMSA-N 1 0 363.233 2.312 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000897221365 689990158 /nfs/dbraw/zinc/99/01/58/689990158.db2.gz LYOBDLSJHQVSKL-CHWSQXEVSA-N 1 0 357.357 2.232 20 5 FEBDRO C[C@@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897459834 690026521 /nfs/dbraw/zinc/02/65/21/690026521.db2.gz ONYSSTXDVZOKET-UONOGXRCSA-N 1 0 369.487 2.348 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1C ZINC000897784057 690079403 /nfs/dbraw/zinc/07/94/03/690079403.db2.gz XCNKUARYHRFWPU-UHFFFAOYSA-N 1 0 350.463 2.167 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900700320 690549772 /nfs/dbraw/zinc/54/97/72/690549772.db2.gz PELKEKWPCKHXCD-UHFFFAOYSA-N 1 0 372.828 2.145 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000903204817 690866165 /nfs/dbraw/zinc/86/61/65/690866165.db2.gz YYRXSMINXWIWIV-UHFFFAOYSA-N 1 0 373.862 2.415 20 5 FEBDRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCSC1 ZINC000903311440 690881345 /nfs/dbraw/zinc/88/13/45/690881345.db2.gz UDXXGTQDCFELCQ-BLLLJJGKSA-N 1 0 353.444 2.424 20 5 FEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867766 721062783 /nfs/dbraw/zinc/06/27/83/721062783.db2.gz KHFBZZKQKBWFRB-CVEARBPZSA-N 1 0 373.388 2.004 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979169 722100697 /nfs/dbraw/zinc/10/06/97/722100697.db2.gz HGASRGJUXSEYSE-AEFFLSMTSA-N 1 0 369.425 2.112 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000010019540 539511611 /nfs/dbraw/zinc/51/16/11/539511611.db2.gz MVEYWHUTXUVZMB-KRWDZBQOSA-N 1 0 370.409 2.261 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000014520466 539603729 /nfs/dbraw/zinc/60/37/29/539603729.db2.gz USNSOIJYMLMEHE-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO COc1cccc([C@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000015129025 539612512 /nfs/dbraw/zinc/61/25/12/539612512.db2.gz NXESHYIHGZDPIL-KRWDZBQOSA-N 1 0 358.398 2.417 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028039329 539824865 /nfs/dbraw/zinc/82/48/65/539824865.db2.gz DZAWURXRMNNSPW-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1ccc(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000031466812 539908381 /nfs/dbraw/zinc/90/83/81/539908381.db2.gz YXLJMITXLDWZGJ-UHFFFAOYSA-N 1 0 370.409 2.447 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000032297133 539933389 /nfs/dbraw/zinc/93/33/89/539933389.db2.gz IBZQZLBDIFZJOE-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO Cc1c(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000043347804 540098466 /nfs/dbraw/zinc/09/84/66/540098466.db2.gz VCNXFSOOQFHYRK-CQSZACIVSA-N 1 0 350.419 2.382 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000045455017 540213848 /nfs/dbraw/zinc/21/38/48/540213848.db2.gz MQGFYOUGXMKINV-HUUCEWRRSA-N 1 0 364.446 2.236 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000045455013 540213863 /nfs/dbraw/zinc/21/38/63/540213863.db2.gz MQGFYOUGXMKINV-GASCZTMLSA-N 1 0 364.446 2.236 20 5 FEBDRO Cc1cccc(N2CC[NH+](CCCNc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000046485380 540259260 /nfs/dbraw/zinc/25/92/60/540259260.db2.gz PARYGLAFWRPIGR-UHFFFAOYSA-N 1 0 358.446 2.261 20 5 FEBDRO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046939584 540278344 /nfs/dbraw/zinc/27/83/44/540278344.db2.gz UDJMLHZVMNCITQ-UHFFFAOYSA-N 1 0 372.425 2.255 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000047226919 540297433 /nfs/dbraw/zinc/29/74/33/540297433.db2.gz DLGFSLCOBIXAJO-JKSUJKDBSA-N 1 0 361.398 2.128 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000052325946 540462744 /nfs/dbraw/zinc/46/27/44/540462744.db2.gz KATZHDNWMJLKQW-UHFFFAOYSA-N 1 0 350.375 2.052 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000053358745 540528555 /nfs/dbraw/zinc/52/85/55/540528555.db2.gz OSQGCRHBEXQINS-OAHLLOKOSA-N 1 0 371.441 2.340 20 5 FEBDRO O=C(Nc1cnccn1)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000054251150 540578058 /nfs/dbraw/zinc/57/80/58/540578058.db2.gz MCKSHYAYUSQDGQ-UHFFFAOYSA-N 1 0 371.397 2.114 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000055281216 540642896 /nfs/dbraw/zinc/64/28/96/540642896.db2.gz BLFZTLJPUNLNMM-CYBMUJFWSA-N 1 0 355.460 2.304 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056041890 540696847 /nfs/dbraw/zinc/69/68/47/540696847.db2.gz DKPKBNVZWAYRLN-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO CCOC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000060485108 541113865 /nfs/dbraw/zinc/11/38/65/541113865.db2.gz SJDLQZMGDRCFKU-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000060559059 541117816 /nfs/dbraw/zinc/11/78/16/541117816.db2.gz YXVFDMNSDBGDHL-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO C[NH+](C)CCOc1cc(CNc2ncnc3cccc([N+](=O)[O-])c32)ccn1 ZINC000541577203 541231603 /nfs/dbraw/zinc/23/16/03/541231603.db2.gz MRNXLJYVIHIGDQ-UHFFFAOYSA-N 1 0 368.397 2.486 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066601585 541343561 /nfs/dbraw/zinc/34/35/61/541343561.db2.gz CPMQUOQDXQHZAA-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000067271528 541439400 /nfs/dbraw/zinc/43/94/00/541439400.db2.gz RPXHTHOQSAHUNY-CYBMUJFWSA-N 1 0 365.430 2.462 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067393839 541454919 /nfs/dbraw/zinc/45/49/19/541454919.db2.gz JTVUZESTZHMDKL-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067782125 541512582 /nfs/dbraw/zinc/51/25/82/541512582.db2.gz SJQQHCAFHDMCBC-NSHDSACASA-N 1 0 368.821 2.033 20 5 FEBDRO COc1ccc(CC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067901702 541526931 /nfs/dbraw/zinc/52/69/31/541526931.db2.gz OIZCVNGWKACIOA-KRWDZBQOSA-N 1 0 371.437 2.435 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000067998375 541537188 /nfs/dbraw/zinc/53/71/88/541537188.db2.gz NTZUKTJTEVBPLT-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000068132292 541553668 /nfs/dbraw/zinc/55/36/68/541553668.db2.gz SQVGHGCRKXIUDV-INIZCTEOSA-N 1 0 363.462 2.275 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000068217340 541564817 /nfs/dbraw/zinc/56/48/17/541564817.db2.gz NQRLQDQBDGNACP-UHFFFAOYSA-N 1 0 359.430 2.258 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000068367691 541583216 /nfs/dbraw/zinc/58/32/16/541583216.db2.gz NUDDMXNKKDRQBV-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000068442236 541592686 /nfs/dbraw/zinc/59/26/86/541592686.db2.gz NAEUIOUZXDFNMF-UHFFFAOYSA-N 1 0 365.430 2.363 20 5 FEBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000068780761 541627282 /nfs/dbraw/zinc/62/72/82/541627282.db2.gz CDCCPMFBJIEZOT-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000069033508 541649967 /nfs/dbraw/zinc/64/99/67/541649967.db2.gz UVCXNBAAIBCHBZ-QZTJIDSGSA-N 1 0 363.458 2.285 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469438 541688121 /nfs/dbraw/zinc/68/81/21/541688121.db2.gz XXPSNTLPOYBOOR-UHFFFAOYSA-N 1 0 350.419 2.099 20 5 FEBDRO Cc1ccc(NC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000072600659 541836744 /nfs/dbraw/zinc/83/67/44/541836744.db2.gz METDQEQBXONNRC-GOSISDBHSA-N 1 0 359.430 2.037 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072855591 541882192 /nfs/dbraw/zinc/88/21/92/541882192.db2.gz XYLPXUDPGQOQGY-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000075639628 542195163 /nfs/dbraw/zinc/19/51/63/542195163.db2.gz SFTFMOXJQMSUKI-UHFFFAOYSA-N 1 0 355.460 2.336 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000075641217 542195282 /nfs/dbraw/zinc/19/52/82/542195282.db2.gz AFNILJCURUDGKD-INIZCTEOSA-N 1 0 350.806 2.470 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835691 542205868 /nfs/dbraw/zinc/20/58/68/542205868.db2.gz IIFVPHOLJYRWMN-AEFFLSMTSA-N 1 0 363.458 2.142 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000076639675 542304056 /nfs/dbraw/zinc/30/40/56/542304056.db2.gz VSQHQVJORWHPFX-HNNXBMFYSA-N 1 0 374.441 2.222 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076660760 542308813 /nfs/dbraw/zinc/30/88/13/542308813.db2.gz BRHIOSZLPNAMQT-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO O=C(c1cnccn1)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000076901619 542328386 /nfs/dbraw/zinc/32/83/86/542328386.db2.gz PGBRTPFTFHMSSH-HWKANZROSA-N 1 0 367.409 2.292 20 5 FEBDRO CC(C)C[N@@H+]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000077363317 542372893 /nfs/dbraw/zinc/37/28/93/542372893.db2.gz VBDZHCPNVVJWHQ-GOSISDBHSA-N 1 0 360.458 2.364 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000078424873 542461404 /nfs/dbraw/zinc/46/14/04/542461404.db2.gz HJHCYGIIUKWWBS-AWEZNQCLSA-N 1 0 362.430 2.479 20 5 FEBDRO CC[NH+](CC)CCn1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)nc2ccccc21 ZINC000078544307 542467194 /nfs/dbraw/zinc/46/71/94/542467194.db2.gz IICHUDOISIYFNS-UHFFFAOYSA-N 1 0 370.413 2.867 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134110 674162731 /nfs/dbraw/zinc/16/27/31/674162731.db2.gz FBYZVMIXLYRQJO-JSGCOSHPSA-N 1 0 354.378 2.490 20 5 FEBDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552114 542785836 /nfs/dbraw/zinc/78/58/36/542785836.db2.gz UJCQTDWPEXOUGM-MRXNPFEDSA-N 1 0 356.426 2.487 20 5 FEBDRO CCOc1cc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641111 542876920 /nfs/dbraw/zinc/87/69/20/542876920.db2.gz AEYAWBAULAAPDZ-INIZCTEOSA-N 1 0 364.446 2.348 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103200964 543097541 /nfs/dbraw/zinc/09/75/41/543097541.db2.gz UIXJHLLWTSRMCJ-AWEZNQCLSA-N 1 0 362.430 2.424 20 5 FEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000106086460 543193112 /nfs/dbraw/zinc/19/31/12/543193112.db2.gz ISQNBSAFQNPOEL-MRXNPFEDSA-N 1 0 357.414 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891786 543252837 /nfs/dbraw/zinc/25/28/37/543252837.db2.gz SJWMLUDOTBOZOG-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(CN3CCC(C4OCCO4)CC3)n2)c1 ZINC000110076338 543348370 /nfs/dbraw/zinc/34/83/70/543348370.db2.gz HHGPBZFRKMYTOC-UHFFFAOYSA-N 1 0 360.370 2.230 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000110223627 543352179 /nfs/dbraw/zinc/35/21/79/543352179.db2.gz HBIYGGXEHLKGOO-OAHLLOKOSA-N 1 0 363.462 2.403 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111635853 543410121 /nfs/dbraw/zinc/41/01/21/543410121.db2.gz FXXDQXUAMKRADW-CYBMUJFWSA-N 1 0 358.398 2.041 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113095047 543474312 /nfs/dbraw/zinc/47/43/12/543474312.db2.gz GRQYNFYRBAXTKY-UHFFFAOYSA-N 1 0 371.441 2.223 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000114352279 543510752 /nfs/dbraw/zinc/51/07/52/543510752.db2.gz NRVSYERBKBLAQA-UHFFFAOYSA-N 1 0 350.375 2.369 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115586067 543576341 /nfs/dbraw/zinc/57/63/41/543576341.db2.gz NTOMMVDPKJQOCE-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000117748766 543639943 /nfs/dbraw/zinc/63/99/43/543639943.db2.gz AJAFTOJEJCPSRG-STQMWFEESA-N 1 0 369.849 2.406 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000127894551 544020277 /nfs/dbraw/zinc/02/02/77/544020277.db2.gz UJYBYMQGVCCVAK-ZFWWWQNUSA-N 1 0 363.414 2.093 20 5 FEBDRO C[C@@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128945358 544081683 /nfs/dbraw/zinc/08/16/83/544081683.db2.gz YYKVRAISEDMXJS-CQSZACIVSA-N 1 0 356.220 2.477 20 5 FEBDRO O=C(NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000128961037 544083154 /nfs/dbraw/zinc/08/31/54/544083154.db2.gz FMPIHDANDLYETA-OLZOCXBDSA-N 1 0 353.806 2.231 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247500501 549344780 /nfs/dbraw/zinc/34/47/80/549344780.db2.gz UZQVSKWECJMDOV-YPMHNXCESA-N 1 0 352.822 2.355 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])c2)CC1 ZINC000130606289 544157887 /nfs/dbraw/zinc/15/78/87/544157887.db2.gz BJTZRNYNOHDQKW-UHFFFAOYSA-N 1 0 357.414 2.480 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000130713620 544161979 /nfs/dbraw/zinc/16/19/79/544161979.db2.gz ZXOAPGYLVYYNJK-GASCZTMLSA-N 1 0 369.487 2.382 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000131550465 544195673 /nfs/dbraw/zinc/19/56/73/544195673.db2.gz VMJWMWWSUKDOMP-CYBMUJFWSA-N 1 0 374.422 2.358 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000132380960 544229219 /nfs/dbraw/zinc/22/92/19/544229219.db2.gz WMGJEBHXIZQMNZ-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 ZINC000133378367 544267377 /nfs/dbraw/zinc/26/73/77/544267377.db2.gz GXCGEHRHTOLAQA-UHFFFAOYSA-N 1 0 374.445 2.133 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000133030381 544253118 /nfs/dbraw/zinc/25/31/18/544253118.db2.gz BFSAPRWYPLPNFN-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135670453 544358056 /nfs/dbraw/zinc/35/80/56/544358056.db2.gz SXODVXNUEANHHP-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000135673286 544358822 /nfs/dbraw/zinc/35/88/22/544358822.db2.gz KWCPDQIVOKCIKP-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000138487650 544396501 /nfs/dbraw/zinc/39/65/01/544396501.db2.gz YBYQUCSBPLJBAF-INIZCTEOSA-N 1 0 353.423 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865399 544380599 /nfs/dbraw/zinc/38/05/99/544380599.db2.gz XXKUAKIDZAGIBO-UXHICEINSA-N 1 0 371.437 2.291 20 5 FEBDRO Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000150844879 544478205 /nfs/dbraw/zinc/47/82/05/544478205.db2.gz GHAHKNJWRFGQPQ-UHFFFAOYSA-N 1 0 356.382 2.316 20 5 FEBDRO COC(=O)C(C)(C)C[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000151816635 544584102 /nfs/dbraw/zinc/58/41/02/544584102.db2.gz YAUWFLIOUQPQDN-SECBINFHSA-N 1 0 357.794 2.364 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152088331 544612532 /nfs/dbraw/zinc/61/25/32/544612532.db2.gz AYPPMHWAGNLHIB-UHFFFAOYSA-N 1 0 369.487 2.477 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000152988224 544719309 /nfs/dbraw/zinc/71/93/09/544719309.db2.gz BNSYYIUXFWDRIL-QWHCGFSZSA-N 1 0 355.398 2.136 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153278931 544756171 /nfs/dbraw/zinc/75/61/71/544756171.db2.gz OCXCKXSSCZZEAA-UHFFFAOYSA-N 1 0 372.425 2.424 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000153294597 544757222 /nfs/dbraw/zinc/75/72/22/544757222.db2.gz DAPQQWSLORXHGD-STQMWFEESA-N 1 0 351.403 2.167 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000153590793 544795229 /nfs/dbraw/zinc/79/52/29/544795229.db2.gz OQCVMDJGAVKLFK-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000155107832 544990879 /nfs/dbraw/zinc/99/08/79/544990879.db2.gz MZWRMTJLLYXEAH-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000155087602 544987308 /nfs/dbraw/zinc/98/73/08/544987308.db2.gz DRGMVYGFNQVMOF-OCCSQVGLSA-N 1 0 363.414 2.168 20 5 FEBDRO CC[NH+](CC)CC1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000553296756 674250923 /nfs/dbraw/zinc/25/09/23/674250923.db2.gz PJWFNYJOAUPDRH-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO CN(C[C@@H](O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000818165366 675200428 /nfs/dbraw/zinc/20/04/28/675200428.db2.gz GWWJLYTXDJDPPX-HNNXBMFYSA-N 1 0 353.419 2.254 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000179220861 327631855 /nfs/dbraw/zinc/63/18/55/327631855.db2.gz LRKIFWVYNVOHKO-ZDUSSCGKSA-N 1 0 367.471 2.357 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179875788 327663196 /nfs/dbraw/zinc/66/31/96/327663196.db2.gz AEWAFZDLCWSVMF-LBPRGKRZSA-N 1 0 351.403 2.337 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179991269 327667205 /nfs/dbraw/zinc/66/72/05/327667205.db2.gz QBMJXDXOAFISHA-UHFFFAOYSA-N 1 0 357.366 2.315 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000180061066 327669448 /nfs/dbraw/zinc/66/94/48/327669448.db2.gz ZRXDWVUSKRCTJQ-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(C)(C)C ZINC000181974429 327755262 /nfs/dbraw/zinc/75/52/62/327755262.db2.gz HDQROTWBHWPRJD-CQSZACIVSA-N 1 0 351.403 2.420 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183521979 327822234 /nfs/dbraw/zinc/82/22/34/327822234.db2.gz PHVNKGXHLRDQIT-UHFFFAOYSA-N 1 0 369.487 2.320 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1SC ZINC000185028819 327895781 /nfs/dbraw/zinc/89/57/81/327895781.db2.gz CAZZXQNGENWTIU-MVWJERBFSA-N 1 0 351.428 2.135 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000188142155 328069035 /nfs/dbraw/zinc/06/90/35/328069035.db2.gz LLKIIKKTVPNJJE-HNNXBMFYSA-N 1 0 357.414 2.447 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188621202 328099435 /nfs/dbraw/zinc/09/94/35/328099435.db2.gz SDHTWJXFKJFPLX-AWEZNQCLSA-N 1 0 362.430 2.242 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188687075 328104126 /nfs/dbraw/zinc/10/41/26/328104126.db2.gz BRBBLSZDJXEALQ-UHFFFAOYSA-N 1 0 363.377 2.314 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(O)CCOCC1 ZINC000189760154 328166352 /nfs/dbraw/zinc/16/63/52/328166352.db2.gz QDNRNVLWRIAIIY-GFCCVEGCSA-N 1 0 362.386 2.179 20 5 FEBDRO COC(=O)c1cnc(N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000190169451 328192461 /nfs/dbraw/zinc/19/24/61/328192461.db2.gz ZGENOJCXEYMUQN-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190685672 328224812 /nfs/dbraw/zinc/22/48/12/328224812.db2.gz YOLYPGUYAVYCFI-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000191330946 328260628 /nfs/dbraw/zinc/26/06/28/328260628.db2.gz FKHUVDLDIYLMBJ-UHFFFAOYSA-N 1 0 350.419 2.132 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000191688563 328277232 /nfs/dbraw/zinc/27/72/32/328277232.db2.gz LICBLHHVKYNEGQ-DOMZBBRYSA-N 1 0 366.368 2.310 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000191935663 328289437 /nfs/dbraw/zinc/28/94/37/328289437.db2.gz KHXVQENLYNSMID-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000192702675 328333912 /nfs/dbraw/zinc/33/39/12/328333912.db2.gz TVAQQYRLPRCMME-LBPRGKRZSA-N 1 0 351.403 2.491 20 5 FEBDRO C[C@H]([NH3+])CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000193176400 328361249 /nfs/dbraw/zinc/36/12/49/328361249.db2.gz VMYICUSIVOMZED-NSHDSACASA-N 1 0 374.363 2.390 20 5 FEBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193662437 328388325 /nfs/dbraw/zinc/38/83/25/328388325.db2.gz OCIHYASWQQLGPA-MRXNPFEDSA-N 1 0 370.409 2.432 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000193772389 328394563 /nfs/dbraw/zinc/39/45/63/328394563.db2.gz XEAULKFTNPWRTG-ZDUSSCGKSA-N 1 0 364.402 2.188 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1SC ZINC000237121360 328505512 /nfs/dbraw/zinc/50/55/12/328505512.db2.gz XTBJHDCOTOFCSH-LLVKDONJSA-N 1 0 353.444 2.445 20 5 FEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000237263482 328510330 /nfs/dbraw/zinc/51/03/30/328510330.db2.gz NAXOTIMAHKNLFY-QGZVFWFLSA-N 1 0 371.441 2.280 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000081571890 325185594 /nfs/dbraw/zinc/18/55/94/325185594.db2.gz WFYYHQBAPCFJFF-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237640223 328523284 /nfs/dbraw/zinc/52/32/84/328523284.db2.gz CZUQKQGSIWKEMO-SJORKVTESA-N 1 0 371.441 2.314 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237639876 328523291 /nfs/dbraw/zinc/52/32/91/328523291.db2.gz MFYZCBFLKXWHAX-IBGZPJMESA-N 1 0 371.441 2.314 20 5 FEBDRO O=[N+]([O-])c1ccc2oc(CN3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000083170535 325214148 /nfs/dbraw/zinc/21/41/48/325214148.db2.gz ZMFHLKABDIIEIR-UHFFFAOYSA-N 1 0 360.414 2.280 20 5 FEBDRO COc1cc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456483 325255424 /nfs/dbraw/zinc/25/54/24/325255424.db2.gz VHTDLWDZRJHRKB-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237738216 328526804 /nfs/dbraw/zinc/52/68/04/328526804.db2.gz XXUIPCIHSXPQIP-UHFFFAOYSA-N 1 0 362.386 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1C ZINC000237784612 328528573 /nfs/dbraw/zinc/52/85/73/328528573.db2.gz JIYDGFHFZWWJRR-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089154418 325305305 /nfs/dbraw/zinc/30/53/05/325305305.db2.gz NINWKMUSUKMGOZ-DLBZAZTESA-N 1 0 363.414 2.112 20 5 FEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000089306382 325311406 /nfs/dbraw/zinc/31/14/06/325311406.db2.gz XWOYORZHWJUZFI-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO CC[C@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068706 325353123 /nfs/dbraw/zinc/35/31/23/325353123.db2.gz GRQHJBRUPYNCHE-HOTGVXAUSA-N 1 0 357.414 2.483 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000090394413 325357536 /nfs/dbraw/zinc/35/75/36/325357536.db2.gz PFAGZXJUYCBGNM-CVEARBPZSA-N 1 0 371.441 2.258 20 5 FEBDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000110014305 325681760 /nfs/dbraw/zinc/68/17/60/325681760.db2.gz VSSPMNDVPJJIMA-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116372147 326009973 /nfs/dbraw/zinc/00/99/73/326009973.db2.gz GZFHFTMCUIHQDD-OAHLLOKOSA-N 1 0 357.476 2.381 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000119321654 326149475 /nfs/dbraw/zinc/14/94/75/326149475.db2.gz WFBYTULHKCGMCY-ZDUSSCGKSA-N 1 0 372.425 2.144 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119597541 326178736 /nfs/dbraw/zinc/17/87/36/326178736.db2.gz CHZGWCLVNVELTR-OAHLLOKOSA-N 1 0 371.441 2.488 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119729183 326192029 /nfs/dbraw/zinc/19/20/29/326192029.db2.gz UPFAPDGPOKQMGQ-AWEZNQCLSA-N 1 0 351.403 2.478 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+][C@](C)(C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120024703 326222762 /nfs/dbraw/zinc/22/27/62/326222762.db2.gz LPOWFRCTPAVBJH-IBGZPJMESA-N 1 0 370.409 2.222 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000120077776 326228315 /nfs/dbraw/zinc/22/83/15/326228315.db2.gz DIROVEBUUAEGFN-UHFFFAOYSA-N 1 0 361.442 2.410 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000120192603 326239082 /nfs/dbraw/zinc/23/90/82/326239082.db2.gz ALWJNKOFWWJIDI-UHFFFAOYSA-N 1 0 350.419 2.132 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121485728 326342086 /nfs/dbraw/zinc/34/20/86/326342086.db2.gz YBKXGRTUKJTJSS-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000122419579 326396248 /nfs/dbraw/zinc/39/62/48/326396248.db2.gz LZMCEGAXOILMAG-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122443090 326397162 /nfs/dbraw/zinc/39/71/62/326397162.db2.gz INNSLAKYICPIRK-GDBMZVCRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000123188375 326422828 /nfs/dbraw/zinc/42/28/28/326422828.db2.gz WHNIOVOKRCQPAN-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000126506435 326490344 /nfs/dbraw/zinc/49/03/44/326490344.db2.gz VIXNWFLHJGSNEH-KBPBESRZSA-N 1 0 371.441 2.215 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000126896865 326496806 /nfs/dbraw/zinc/49/68/06/326496806.db2.gz RFRZRTWQDXJWAX-HNNXBMFYSA-N 1 0 369.425 2.338 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000132845736 326598714 /nfs/dbraw/zinc/59/87/14/326598714.db2.gz APAHUJNSHARUHG-ZDUSSCGKSA-N 1 0 353.444 2.047 20 5 FEBDRO Cn1ccnc1[C@H](O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000136213456 326650856 /nfs/dbraw/zinc/65/08/56/326650856.db2.gz IZAMILUNKGZFQT-QGZVFWFLSA-N 1 0 360.414 2.153 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000153408958 326732127 /nfs/dbraw/zinc/73/21/27/326732127.db2.gz GTJDVHDSXRXCQT-QWHCGFSZSA-N 1 0 370.475 2.130 20 5 FEBDRO COC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000153770254 326742282 /nfs/dbraw/zinc/74/22/82/326742282.db2.gz AMERXZDSDFFGPN-LBPRGKRZSA-N 1 0 350.371 2.350 20 5 FEBDRO Cc1cc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000153844679 326744544 /nfs/dbraw/zinc/74/45/44/326744544.db2.gz KHYQOSKWIAOGIX-OAHLLOKOSA-N 1 0 350.419 2.118 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000154173647 326753290 /nfs/dbraw/zinc/75/32/90/326753290.db2.gz QWDVSPOCFDOYBX-HIFRSBDPSA-N 1 0 365.430 2.282 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000155520172 326791343 /nfs/dbraw/zinc/79/13/43/326791343.db2.gz SGSZDUYBBOJZJS-UHFFFAOYSA-N 1 0 367.471 2.421 20 5 FEBDRO O=c1[nH]cnc2cc(N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000161936079 327012876 /nfs/dbraw/zinc/01/28/76/327012876.db2.gz SVPORBXAIBOZTG-WBMJQRKESA-N 1 0 369.425 2.284 20 5 FEBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000162797529 327034963 /nfs/dbraw/zinc/03/49/63/327034963.db2.gz YDBKQMYLHVVCCD-VIFPVBQESA-N 1 0 361.345 2.452 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000163653142 327056228 /nfs/dbraw/zinc/05/62/28/327056228.db2.gz AQDWTKOCCOWHMC-AWEZNQCLSA-N 1 0 351.451 2.011 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140203 327065229 /nfs/dbraw/zinc/06/52/29/327065229.db2.gz CFYAMMMPWUHJFW-SWLSCSKDSA-N 1 0 362.386 2.368 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000165467845 327078212 /nfs/dbraw/zinc/07/82/12/327078212.db2.gz ABGVPLPIXJTZHO-UHFFFAOYSA-N 1 0 363.443 2.032 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000170644867 327090299 /nfs/dbraw/zinc/09/02/99/327090299.db2.gz VKTHPDJNHHSTDG-IBGZPJMESA-N 1 0 370.409 2.222 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171398244 327137074 /nfs/dbraw/zinc/13/70/74/327137074.db2.gz AMTFJWAIPQGOEQ-UHFFFAOYSA-N 1 0 357.414 2.228 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000171620024 327148669 /nfs/dbraw/zinc/14/86/69/327148669.db2.gz ZBINQPFSSZRDOG-AWEZNQCLSA-N 1 0 357.414 2.391 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000172833514 327221478 /nfs/dbraw/zinc/22/14/78/327221478.db2.gz XPZBPSUIODVGEI-OAHLLOKOSA-N 1 0 372.429 2.122 20 5 FEBDRO COc1cc(OCC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000172836054 327221682 /nfs/dbraw/zinc/22/16/82/327221682.db2.gz PEJQRXXYTWJBLH-AWEZNQCLSA-N 1 0 365.430 2.315 20 5 FEBDRO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+](C)C ZINC000173048845 327232413 /nfs/dbraw/zinc/23/24/13/327232413.db2.gz RNSYFJUJNRSUEB-ZDUSSCGKSA-N 1 0 359.430 2.487 20 5 FEBDRO Cc1c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000173055667 327232911 /nfs/dbraw/zinc/23/29/11/327232911.db2.gz CRUQRFXVAGSASU-CYBMUJFWSA-N 1 0 374.445 2.190 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173072124 327233780 /nfs/dbraw/zinc/23/37/80/327233780.db2.gz YGRYFVIOFHHJEX-SFHVURJKSA-N 1 0 363.458 2.391 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173238442 327243292 /nfs/dbraw/zinc/24/32/92/327243292.db2.gz IWENRHNRMHNGFS-PWSUYJOCSA-N 1 0 361.851 2.209 20 5 FEBDRO Cc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000173272561 327245597 /nfs/dbraw/zinc/24/55/97/327245597.db2.gz QCDWLSLJCZGTEW-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173827604 327287215 /nfs/dbraw/zinc/28/72/15/327287215.db2.gz POTRJMKWTZFGRQ-QWHCGFSZSA-N 1 0 373.862 2.496 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000173937555 327295719 /nfs/dbraw/zinc/29/57/19/327295719.db2.gz XZSLSTLYXHEDMG-JQHSSLGASA-N 1 0 363.458 2.282 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000174023384 327302166 /nfs/dbraw/zinc/30/21/66/327302166.db2.gz MVDGDLDVNBORDL-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])cc1OC ZINC000174508577 327331582 /nfs/dbraw/zinc/33/15/82/327331582.db2.gz MIMSOWCFGSZXAH-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000174695109 327344193 /nfs/dbraw/zinc/34/41/93/327344193.db2.gz KNWMWSZZDYVBCV-OLZOCXBDSA-N 1 0 363.414 2.311 20 5 FEBDRO CN1CCN([C@H]2CCCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875446 327356920 /nfs/dbraw/zinc/35/69/20/327356920.db2.gz PSADJZOEOWOLQU-KRWDZBQOSA-N 1 0 362.474 2.076 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175004351 327367189 /nfs/dbraw/zinc/36/71/89/327367189.db2.gz YVARICPIZZZAMI-HUUCEWRRSA-N 1 0 361.398 2.080 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087073 327373060 /nfs/dbraw/zinc/37/30/60/327373060.db2.gz XMXQSQUUCUOSEJ-MNOVXSKESA-N 1 0 361.851 2.399 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176936526 327485848 /nfs/dbraw/zinc/48/58/48/327485848.db2.gz ZGBIWWDEAOCKNS-UHFFFAOYSA-N 1 0 367.471 2.421 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000265515442 329134957 /nfs/dbraw/zinc/13/49/57/329134957.db2.gz LDEWCXDNBCGEPO-ZDUSSCGKSA-N 1 0 372.425 2.307 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000265736754 329155199 /nfs/dbraw/zinc/15/51/99/329155199.db2.gz LZYZTHLLHWHLAI-INIZCTEOSA-N 1 0 364.446 2.236 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000266947833 329275735 /nfs/dbraw/zinc/27/57/35/329275735.db2.gz SJRJMNOIEUOWOB-UHFFFAOYSA-N 1 0 357.414 2.028 20 5 FEBDRO CC[C@H](NC(=O)NCC[N@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000267353847 329318034 /nfs/dbraw/zinc/31/80/34/329318034.db2.gz IGXRJCPLAWYKFK-INIZCTEOSA-N 1 0 352.435 2.313 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156085 329391376 /nfs/dbraw/zinc/39/13/76/329391376.db2.gz HDOIUUDXJNCSJY-LKFCYVNXSA-N 1 0 362.386 2.332 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000268496672 329427088 /nfs/dbraw/zinc/42/70/88/329427088.db2.gz TVFDDJLZYCIDOF-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO COC(=O)c1cc(NCC2([NH+](C)C)CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000268504976 329428183 /nfs/dbraw/zinc/42/81/83/329428183.db2.gz UFEZPCSDJBWBEG-UHFFFAOYSA-N 1 0 351.403 2.213 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269151676 329490903 /nfs/dbraw/zinc/49/09/03/329490903.db2.gz BOARSRLLHWTFSK-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000269207266 329496493 /nfs/dbraw/zinc/49/64/93/329496493.db2.gz OKMVBQICFJVTPK-VHSXEESVSA-N 1 0 356.220 2.475 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000269427764 329519115 /nfs/dbraw/zinc/51/91/15/329519115.db2.gz YUJXAUOBJWSHIU-UHFFFAOYSA-N 1 0 374.485 2.154 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000270173240 329579819 /nfs/dbraw/zinc/57/98/19/329579819.db2.gz DBVFHSKPYZPZGJ-ZDUSSCGKSA-N 1 0 371.434 2.086 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270190589 329580832 /nfs/dbraw/zinc/58/08/32/329580832.db2.gz HKKRKTCSEYIEKI-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+](C)C ZINC000270965611 329649712 /nfs/dbraw/zinc/64/97/12/329649712.db2.gz HGNNRXGCYAGDCO-UHFFFAOYSA-N 1 0 355.460 2.405 20 5 FEBDRO CS[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271114843 329663459 /nfs/dbraw/zinc/66/34/59/329663459.db2.gz QNRVDCCDFFKNIG-MNOVXSKESA-N 1 0 361.265 2.234 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1F ZINC000271305810 329682145 /nfs/dbraw/zinc/68/21/45/329682145.db2.gz CXNKLCFBLJPLOM-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO CS[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271609751 329707479 /nfs/dbraw/zinc/70/74/79/329707479.db2.gz KBQZAPHZYMHEAB-GHMZBOCLSA-N 1 0 361.265 2.234 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273119502 329838647 /nfs/dbraw/zinc/83/86/47/329838647.db2.gz HEMUOTBXGNMIOF-GLJUWKHASA-N 1 0 366.414 2.046 20 5 FEBDRO COc1ccc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000275135854 330014063 /nfs/dbraw/zinc/01/40/63/330014063.db2.gz SXHQJMIMJVKMNG-NSHDSACASA-N 1 0 361.320 2.104 20 5 FEBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000275969387 330107522 /nfs/dbraw/zinc/10/75/22/330107522.db2.gz LNNGDWJNKHFSOF-UHFFFAOYSA-N 1 0 350.375 2.334 20 5 FEBDRO CC(=O)c1ccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199955 330229195 /nfs/dbraw/zinc/22/91/95/330229195.db2.gz FOEQURCXUXNGAB-WMLDXEAASA-N 1 0 360.458 2.260 20 5 FEBDRO COc1ccc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000367232648 330233874 /nfs/dbraw/zinc/23/38/74/330233874.db2.gz WTGMTEZLARCYNC-HNNXBMFYSA-N 1 0 371.393 2.333 20 5 FEBDRO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786742 330251460 /nfs/dbraw/zinc/25/14/60/330251460.db2.gz FKYDSGAAOKOQLG-RDJZCZTQSA-N 1 0 363.414 2.464 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000155320839 545510914 /nfs/dbraw/zinc/51/09/14/545510914.db2.gz NPWJZQDFHDLEFU-CRAIPNDOSA-N 1 0 362.474 2.497 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1CCOCC1 ZINC000155721291 545561191 /nfs/dbraw/zinc/56/11/91/545561191.db2.gz JDASTZRTJNKBGT-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156712621 545651031 /nfs/dbraw/zinc/65/10/31/545651031.db2.gz UQSYGRRKDNGSOF-HNNXBMFYSA-N 1 0 362.430 2.032 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158645325 545880596 /nfs/dbraw/zinc/88/05/96/545880596.db2.gz GVBLFINALIKIEX-CQSZACIVSA-N 1 0 367.471 2.373 20 5 FEBDRO C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000159862563 545987083 /nfs/dbraw/zinc/98/70/83/545987083.db2.gz JXDPAWYSLFKORQ-KRWDZBQOSA-N 1 0 370.453 2.353 20 5 FEBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159862010 545987332 /nfs/dbraw/zinc/98/73/32/545987332.db2.gz XCBYQZXNUDNCKN-GOSISDBHSA-N 1 0 370.453 2.210 20 5 FEBDRO Cc1c(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000480053941 561202052 /nfs/dbraw/zinc/20/20/52/561202052.db2.gz NSUXQZIGUJCQSQ-MRXNPFEDSA-N 1 0 364.446 2.155 20 5 FEBDRO CCc1ccc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000175996033 546386639 /nfs/dbraw/zinc/38/66/39/546386639.db2.gz QDZCCTHFUAKOPA-SFHVURJKSA-N 1 0 374.485 2.399 20 5 FEBDRO O=C(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc21 ZINC000176218222 546420494 /nfs/dbraw/zinc/42/04/94/546420494.db2.gz DKWTWFFGFHGYHT-UHFFFAOYSA-N 1 0 369.425 2.093 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816240 546492873 /nfs/dbraw/zinc/49/28/73/546492873.db2.gz DUFCNZMJHLCCBR-TZMCWYRMSA-N 1 0 357.414 2.273 20 5 FEBDRO C[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000177046532 546530436 /nfs/dbraw/zinc/53/04/36/546530436.db2.gz JBRPSTAQSQGTDS-UHFFFAOYSA-N 1 0 371.372 2.472 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000480736361 561215586 /nfs/dbraw/zinc/21/55/86/561215586.db2.gz MVUNZRWDLGIRPE-GFCCVEGCSA-N 1 0 366.443 2.152 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177528874 546636974 /nfs/dbraw/zinc/63/69/74/546636974.db2.gz XNDSVVIIBJBFDQ-NWDGAFQWSA-N 1 0 350.375 2.414 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177769285 546683230 /nfs/dbraw/zinc/68/32/30/546683230.db2.gz GNNYNJYMMUDOMZ-WBVHZDCISA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000481073091 561224534 /nfs/dbraw/zinc/22/45/34/561224534.db2.gz ORICCKNIXKIEMF-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425762 561232633 /nfs/dbraw/zinc/23/26/33/561232633.db2.gz LOXZHQJGEMZMJQ-KFNAQCHYSA-N 1 0 368.821 2.171 20 5 FEBDRO Cc1c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178842888 546860470 /nfs/dbraw/zinc/86/04/70/546860470.db2.gz LFNFANDMURIXMU-LLVKDONJSA-N 1 0 350.375 2.319 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000178944525 546877471 /nfs/dbraw/zinc/87/74/71/546877471.db2.gz ZRBQSYSJSDZYCU-GJZGRUSLSA-N 1 0 369.487 2.177 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000481851038 561244035 /nfs/dbraw/zinc/24/40/35/561244035.db2.gz HQKWWQVCLZIASO-DOTOQJQBSA-N 1 0 354.410 2.221 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000179755317 547008867 /nfs/dbraw/zinc/00/88/67/547008867.db2.gz IXQKOHCKHPLZBZ-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862757 547022360 /nfs/dbraw/zinc/02/23/60/547022360.db2.gz LDXHJCCHBOIFLR-NWDGAFQWSA-N 1 0 351.403 2.335 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)C1CC1 ZINC000179981257 547035841 /nfs/dbraw/zinc/03/58/41/547035841.db2.gz NCHQWQXELVCDAW-SJORKVTESA-N 1 0 362.426 2.428 20 5 FEBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc2NC1=O ZINC000180004631 547037422 /nfs/dbraw/zinc/03/74/22/547037422.db2.gz XJNAHBSTVSSLGG-IAQYHMDHSA-N 1 0 359.386 2.252 20 5 FEBDRO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180399497 547101210 /nfs/dbraw/zinc/10/12/10/547101210.db2.gz BYWUBVMYEZXQIG-HNNXBMFYSA-N 1 0 372.425 2.183 20 5 FEBDRO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)N1CCOCC1 ZINC000181032527 547234650 /nfs/dbraw/zinc/23/46/50/547234650.db2.gz KNPQUALFXPKYIL-UHFFFAOYSA-N 1 0 361.423 2.272 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000181114078 547252239 /nfs/dbraw/zinc/25/22/39/547252239.db2.gz PHRATWVADIREPI-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181667376 547356488 /nfs/dbraw/zinc/35/64/88/547356488.db2.gz FODUVPIKWNQGGI-IRXDYDNUSA-N 1 0 350.394 2.148 20 5 FEBDRO C[N@H+](CCOc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190753 547450647 /nfs/dbraw/zinc/45/06/47/547450647.db2.gz FRFHGGTZEQIIEA-AWEZNQCLSA-N 1 0 364.373 2.484 20 5 FEBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCO1 ZINC000182255852 547462867 /nfs/dbraw/zinc/46/28/67/547462867.db2.gz OFXPNRZLTLQRJM-ZFWWWQNUSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000483727025 561282840 /nfs/dbraw/zinc/28/28/40/561282840.db2.gz NFHQUTCFCMZTPH-SGIREYDYSA-N 1 0 351.403 2.478 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000182512249 547506477 /nfs/dbraw/zinc/50/64/77/547506477.db2.gz ROCUGKYAIISWTP-HNNXBMFYSA-N 1 0 358.394 2.401 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182717831 547540216 /nfs/dbraw/zinc/54/02/16/547540216.db2.gz YPDYVDJQGTVFND-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000182768936 547549872 /nfs/dbraw/zinc/54/98/72/547549872.db2.gz QIONLDAXQXAUPR-OAHLLOKOSA-N 1 0 362.430 2.479 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209148 547621074 /nfs/dbraw/zinc/62/10/74/547621074.db2.gz WUTOAEXUSZXCAU-KBXCAEBGSA-N 1 0 374.441 2.278 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183297983 547635419 /nfs/dbraw/zinc/63/54/19/547635419.db2.gz WPYSEGWYDWDWIR-CYBMUJFWSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000183934567 547740977 /nfs/dbraw/zinc/74/09/77/547740977.db2.gz XZEVNFGYAMAUJS-UHFFFAOYSA-N 1 0 373.409 2.431 20 5 FEBDRO COc1cc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184250518 547795026 /nfs/dbraw/zinc/79/50/26/547795026.db2.gz UTCBQRSRXZZNKH-CYBMUJFWSA-N 1 0 367.421 2.428 20 5 FEBDRO CCOC(=O)c1cc(N[C@@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827210 547884210 /nfs/dbraw/zinc/88/42/10/547884210.db2.gz BZSSOYKSENUFJU-AWEZNQCLSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184914127 547898777 /nfs/dbraw/zinc/89/87/77/547898777.db2.gz FTAFYWRLRYWXIQ-MCIONIFRSA-N 1 0 367.421 2.453 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000184913782 547899404 /nfs/dbraw/zinc/89/94/04/547899404.db2.gz OQMCGUCTGBTBCI-IINYFYTJSA-N 1 0 359.423 2.003 20 5 FEBDRO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000184921766 547901687 /nfs/dbraw/zinc/90/16/87/547901687.db2.gz VHANRDYZNPPOFQ-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184982313 547912089 /nfs/dbraw/zinc/91/20/89/547912089.db2.gz FRPHTFZRIOAMSF-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185013250 547917489 /nfs/dbraw/zinc/91/74/89/547917489.db2.gz UBZJUHAMIPZDSL-CYBMUJFWSA-N 1 0 353.394 2.066 20 5 FEBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]21 ZINC000185105563 547934954 /nfs/dbraw/zinc/93/49/54/547934954.db2.gz KWTKUUJCTXTFDB-XKQJLSEDSA-N 1 0 358.442 2.394 20 5 FEBDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185299137 547966733 /nfs/dbraw/zinc/96/67/33/547966733.db2.gz YYRUWFTUFOVXKQ-KGLIPLIRSA-N 1 0 365.405 2.018 20 5 FEBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485417611 561318832 /nfs/dbraw/zinc/31/88/32/561318832.db2.gz RHTUTDUJLZGLKU-ZDUSSCGKSA-N 1 0 360.389 2.299 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185447366 547986488 /nfs/dbraw/zinc/98/64/88/547986488.db2.gz OKHPTNGESJZZQP-GFCCVEGCSA-N 1 0 366.443 2.152 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000185852236 548045416 /nfs/dbraw/zinc/04/54/16/548045416.db2.gz WLNFWAYMWCSQOZ-UHFFFAOYSA-N 1 0 361.423 2.425 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185979344 548068191 /nfs/dbraw/zinc/06/81/91/548068191.db2.gz SRSKNFHPHADHTF-AWEZNQCLSA-N 1 0 355.460 2.241 20 5 FEBDRO O=C(C[N@H+](CCO)CC1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000485860132 561330066 /nfs/dbraw/zinc/33/00/66/561330066.db2.gz RZRUXOMMVFNVJL-UHFFFAOYSA-N 1 0 361.442 2.359 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186663819 548169045 /nfs/dbraw/zinc/16/90/45/548169045.db2.gz VCABILPBSGEKOD-CYBMUJFWSA-N 1 0 362.430 2.222 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000186925883 548221342 /nfs/dbraw/zinc/22/13/42/548221342.db2.gz VUMQXAMPCINXPU-HNNXBMFYSA-N 1 0 350.419 2.182 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000193945018 548411319 /nfs/dbraw/zinc/41/13/19/548411319.db2.gz HXFJFCBGYISSDW-UHFFFAOYSA-N 1 0 350.419 2.087 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193947512 548412497 /nfs/dbraw/zinc/41/24/97/548412497.db2.gz BUSJWHSCWYBSIQ-ZDUSSCGKSA-N 1 0 350.419 2.277 20 5 FEBDRO CN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC2)CC1 ZINC000217657274 548682452 /nfs/dbraw/zinc/68/24/52/548682452.db2.gz BQHHICMXGIFDMS-UHFFFAOYSA-N 1 0 370.400 2.412 20 5 FEBDRO CNC(=O)[C@]1(C)CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000228099267 548753407 /nfs/dbraw/zinc/75/34/07/548753407.db2.gz ASHZNBBONXTNDQ-CQSZACIVSA-N 1 0 356.220 2.315 20 5 FEBDRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236580707 548768193 /nfs/dbraw/zinc/76/81/93/548768193.db2.gz QEPODTGPEVNSIR-LLVKDONJSA-N 1 0 358.236 2.389 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000236887024 548785395 /nfs/dbraw/zinc/78/53/95/548785395.db2.gz SGQNRSXDEDAJMM-RYUDHWBXSA-N 1 0 351.403 2.202 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])cc1OC ZINC000236886693 548786199 /nfs/dbraw/zinc/78/61/99/548786199.db2.gz PXPSEWRBFFZLGW-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000237050108 548797092 /nfs/dbraw/zinc/79/70/92/548797092.db2.gz NMQQYXMZJXJBOU-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245441632 548921483 /nfs/dbraw/zinc/92/14/83/548921483.db2.gz VOUIMRSBPQMIER-QAPCUYQASA-N 1 0 360.458 2.364 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCCC[C@H]1O ZINC000245560601 548946711 /nfs/dbraw/zinc/94/67/11/548946711.db2.gz WSLFTSLSSMKDSQ-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1ccnc1 ZINC000245602198 548955995 /nfs/dbraw/zinc/95/59/95/548955995.db2.gz MOETYOGWRVILBU-JLSDUUJJSA-N 1 0 369.425 2.480 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053177 561382453 /nfs/dbraw/zinc/38/24/53/561382453.db2.gz DCQKOZGTLIYPOU-OAHLLOKOSA-N 1 0 357.458 2.250 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246065355 549044815 /nfs/dbraw/zinc/04/48/15/549044815.db2.gz DPTKRTHNMONDTQ-ZFWWWQNUSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247170875 549293982 /nfs/dbraw/zinc/29/39/82/549293982.db2.gz ASZBMNZFCDRGQW-UKRRQHHQSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000249188954 549567231 /nfs/dbraw/zinc/56/72/31/549567231.db2.gz OWCQQJWPRGSMBM-GJZGRUSLSA-N 1 0 369.487 2.177 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000250150572 549638178 /nfs/dbraw/zinc/63/81/78/549638178.db2.gz WWCBLXYEEOCTCZ-KGLIPLIRSA-N 1 0 365.430 2.219 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000489887984 561421523 /nfs/dbraw/zinc/42/15/23/561421523.db2.gz XGPFQYIHRKLXDB-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000261607979 549733856 /nfs/dbraw/zinc/73/38/56/549733856.db2.gz DZHJCVWOGSQVBI-XRMLZUONSA-N 1 0 351.378 2.135 20 5 FEBDRO [NH3+]C1(c2noc(CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])n2)CCCC1 ZINC000261867487 549763857 /nfs/dbraw/zinc/76/38/57/549763857.db2.gz UXXHTYGXWXIFMX-UHFFFAOYSA-N 1 0 365.777 2.289 20 5 FEBDRO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000261889612 549767123 /nfs/dbraw/zinc/76/71/23/549767123.db2.gz XIRLYXDOOASQDI-ZJUUUORDSA-N 1 0 365.415 2.167 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000262048106 549783812 /nfs/dbraw/zinc/78/38/12/549783812.db2.gz QRSOBVMOVUNPNF-CYBMUJFWSA-N 1 0 363.805 2.077 20 5 FEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262096117 549788543 /nfs/dbraw/zinc/78/85/43/549788543.db2.gz YYJXNWLGEBIYJM-NXEZZACHSA-N 1 0 361.320 2.345 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000490302109 561430515 /nfs/dbraw/zinc/43/05/15/561430515.db2.gz RXZNYQJVIMLHNW-OAHLLOKOSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1sc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000264196487 549991191 /nfs/dbraw/zinc/99/11/91/549991191.db2.gz CZXGHPGMOZZZQD-UHFFFAOYSA-N 1 0 353.444 2.340 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000269328136 550181652 /nfs/dbraw/zinc/18/16/52/550181652.db2.gz DMWXKFRGCUFUOR-CYBMUJFWSA-N 1 0 372.429 2.355 20 5 FEBDRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000271701235 550396236 /nfs/dbraw/zinc/39/62/36/550396236.db2.gz SSYRXYXEFHKYHF-KRWDZBQOSA-N 1 0 355.394 2.197 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274187 550433184 /nfs/dbraw/zinc/43/31/84/550433184.db2.gz LXDWCIXITUTVBB-WFASDCNBSA-N 1 0 357.414 2.267 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328714 550438127 /nfs/dbraw/zinc/43/81/27/550438127.db2.gz LAHOKGBJXDGEJT-GWCFXTLKSA-N 1 0 361.427 2.156 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000272452595 550449508 /nfs/dbraw/zinc/44/95/08/550449508.db2.gz MVWFHBZIGSFDNB-LSDHHAIUSA-N 1 0 362.430 2.229 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000272590508 550459433 /nfs/dbraw/zinc/45/94/33/550459433.db2.gz ZSUXMYMXQRLIDL-UHFFFAOYSA-N 1 0 369.487 2.272 20 5 FEBDRO Cc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782981 550470824 /nfs/dbraw/zinc/47/08/24/550470824.db2.gz AVBYYQRHWKMXER-SFHVURJKSA-N 1 0 370.409 2.279 20 5 FEBDRO COc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000272939697 550477399 /nfs/dbraw/zinc/47/73/99/550477399.db2.gz NFZQYBDBUIXTDF-UHFFFAOYSA-N 1 0 350.396 2.167 20 5 FEBDRO C[C@]1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000273017994 550480860 /nfs/dbraw/zinc/48/08/60/550480860.db2.gz PVSUQVYBJOHMTF-AWEZNQCLSA-N 1 0 356.220 2.477 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000273362426 550495554 /nfs/dbraw/zinc/49/55/54/550495554.db2.gz QTGZKXZEPQOZMG-IRXDYDNUSA-N 1 0 360.410 2.390 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000273407425 550497328 /nfs/dbraw/zinc/49/73/28/550497328.db2.gz XDWZOHDFJIBHSN-CQSZACIVSA-N 1 0 362.382 2.181 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)c1sccc1C ZINC000494678393 561473967 /nfs/dbraw/zinc/47/39/67/561473967.db2.gz BHKTUVZQACCYQX-CYBMUJFWSA-N 1 0 365.411 2.235 20 5 FEBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000276859718 550603972 /nfs/dbraw/zinc/60/39/72/550603972.db2.gz BCKZFMJUUZYZHK-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO C[NH+](C)C1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278367778 550777966 /nfs/dbraw/zinc/77/79/66/550777966.db2.gz KVGAJQFOWXPYIE-UHFFFAOYSA-N 1 0 361.368 2.447 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000278494097 550792226 /nfs/dbraw/zinc/79/22/26/550792226.db2.gz MNXGWTHIWUZFCQ-LQYUOIDQSA-N 1 0 359.426 2.320 20 5 FEBDRO COc1cc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000278850374 550828869 /nfs/dbraw/zinc/82/88/69/550828869.db2.gz SMORQRKLIMAALE-GFCCVEGCSA-N 1 0 353.394 2.432 20 5 FEBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278958149 550840246 /nfs/dbraw/zinc/84/02/46/550840246.db2.gz BCKODYDYVDRCCL-LRDDRELGSA-N 1 0 367.471 2.188 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107600 550854802 /nfs/dbraw/zinc/85/48/02/550854802.db2.gz BMLPXJHCNWBXRF-WFASDCNBSA-N 1 0 364.421 2.356 20 5 FEBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000279133845 550857629 /nfs/dbraw/zinc/85/76/29/550857629.db2.gz WOIKEQHVGVXCJD-JKSUJKDBSA-N 1 0 351.403 2.015 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@@H+]1C1CC1 ZINC000279367794 550882211 /nfs/dbraw/zinc/88/22/11/550882211.db2.gz GQNPVIXWTSRQPC-QWRGUYRKSA-N 1 0 350.394 2.155 20 5 FEBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279664804 550914230 /nfs/dbraw/zinc/91/42/30/550914230.db2.gz DGBMRAHWCUMUBF-OAHLLOKOSA-N 1 0 374.441 2.445 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000280841239 551037927 /nfs/dbraw/zinc/03/79/27/551037927.db2.gz BWFUQTGCLVEREY-INIZCTEOSA-N 1 0 361.442 2.472 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@](C)=O)CCC1 ZINC000280923310 551045955 /nfs/dbraw/zinc/04/59/55/551045955.db2.gz DTJBHBHWZKNOCE-MCFWBGNESA-N 1 0 353.444 2.203 20 5 FEBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000281485569 551103586 /nfs/dbraw/zinc/10/35/86/551103586.db2.gz JZNHHWIFJXHVSE-UHFFFAOYSA-N 1 0 361.851 2.355 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000281910483 551156877 /nfs/dbraw/zinc/15/68/77/551156877.db2.gz CEEJDCNMCJMVQK-WBVHZDCISA-N 1 0 350.415 2.273 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410467 561500372 /nfs/dbraw/zinc/50/03/72/561500372.db2.gz HGRZOOAQUXZFJR-ZIAGYGMSSA-N 1 0 357.414 2.269 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000282716814 551262916 /nfs/dbraw/zinc/26/29/16/551262916.db2.gz LTQNNJFJLLLSMQ-PIGZYNQJSA-N 1 0 360.370 2.276 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000282921995 551285676 /nfs/dbraw/zinc/28/56/76/551285676.db2.gz HJYNPYZEEQYNEE-CQSZACIVSA-N 1 0 361.423 2.426 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000283110451 551313058 /nfs/dbraw/zinc/31/30/58/551313058.db2.gz MJWMMZRJJFOGIL-NEPJUHHUSA-N 1 0 367.402 2.109 20 5 FEBDRO COc1cc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000497714824 561506900 /nfs/dbraw/zinc/50/69/00/561506900.db2.gz TYIXCRNLYMKDLA-UHFFFAOYSA-N 1 0 360.370 2.191 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801936 561509224 /nfs/dbraw/zinc/50/92/24/561509224.db2.gz DZUDCVXMJGIVTM-WBVHZDCISA-N 1 0 365.393 2.299 20 5 FEBDRO Cc1cc(F)c(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000283672144 551406815 /nfs/dbraw/zinc/40/68/15/551406815.db2.gz DZPNWFKSWTYHBS-GFCCVEGCSA-N 1 0 367.425 2.047 20 5 FEBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000498018564 561513919 /nfs/dbraw/zinc/51/39/19/561513919.db2.gz GPSBYKQYKQVAHE-NVXWUHKLSA-N 1 0 371.441 2.475 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000284100086 551483595 /nfs/dbraw/zinc/48/35/95/551483595.db2.gz SFYOCKVSJMMPHN-SNVBAGLBSA-N 1 0 356.220 2.347 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498227587 561519400 /nfs/dbraw/zinc/51/94/00/561519400.db2.gz LBQWSPQGOPSQMG-CHWSQXEVSA-N 1 0 350.419 2.228 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000498569002 561528853 /nfs/dbraw/zinc/52/88/53/561528853.db2.gz DUERDCSUDLRRDR-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000285256662 551727471 /nfs/dbraw/zinc/72/74/71/551727471.db2.gz XABHGRALVYMFEX-LLVKDONJSA-N 1 0 367.402 2.109 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285319295 551737302 /nfs/dbraw/zinc/73/73/02/551737302.db2.gz RDMKOXGZWQUQPF-TVKHYIBRSA-N 1 0 365.817 2.193 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285330849 551739497 /nfs/dbraw/zinc/73/94/97/551739497.db2.gz SEVCTGAXZSJFPN-IAGOWNOFSA-N 1 0 361.442 2.437 20 5 FEBDRO CCC[C@@]1([NH2+]CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CCOC1 ZINC000285424200 551754257 /nfs/dbraw/zinc/75/42/57/551754257.db2.gz DVFRTQWSZQSYPW-QGZVFWFLSA-N 1 0 351.403 2.481 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000285491332 551764551 /nfs/dbraw/zinc/76/45/51/551764551.db2.gz PHHVACAPVQKQOX-CYBMUJFWSA-N 1 0 355.460 2.225 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285529756 551770272 /nfs/dbraw/zinc/77/02/72/551770272.db2.gz HGRXHRDGKQQZNY-KGLIPLIRSA-N 1 0 355.460 2.259 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285663662 551791934 /nfs/dbraw/zinc/79/19/34/551791934.db2.gz PXFZRLPWBPZDBR-PBWFPOADSA-N 1 0 353.444 2.149 20 5 FEBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714590 551800004 /nfs/dbraw/zinc/80/00/04/551800004.db2.gz UCMOAUGJPZQIJM-HOTGVXAUSA-N 1 0 351.403 2.229 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000286555168 551899505 /nfs/dbraw/zinc/89/95/05/551899505.db2.gz DLHHJFPIEUWPFS-QGZVFWFLSA-N 1 0 366.487 2.216 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000286618776 551906828 /nfs/dbraw/zinc/90/68/28/551906828.db2.gz HWPPWANSNFLWSS-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066349 551959180 /nfs/dbraw/zinc/95/91/80/551959180.db2.gz JXPXVTRBGIMJKY-IUODEOHRSA-N 1 0 364.421 2.499 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000500121478 561566429 /nfs/dbraw/zinc/56/64/29/561566429.db2.gz KSXFUMQURAEEHQ-UHFFFAOYSA-N 1 0 364.446 2.140 20 5 FEBDRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289392736 552313517 /nfs/dbraw/zinc/31/35/17/552313517.db2.gz NRIHRRBPAOSWDL-UHFFFAOYSA-N 1 0 373.457 2.148 20 5 FEBDRO COc1ccc(C[C@H](CO)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1O ZINC000289508623 552332972 /nfs/dbraw/zinc/33/29/72/552332972.db2.gz UMQWPSJSZVMEGF-LBPRGKRZSA-N 1 0 352.412 2.311 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289679403 552361174 /nfs/dbraw/zinc/36/11/74/552361174.db2.gz JMROATZMBIDVLZ-GJZGRUSLSA-N 1 0 358.442 2.267 20 5 FEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289727450 552369086 /nfs/dbraw/zinc/36/90/86/552369086.db2.gz HIAWZRAGRAMPSP-KRWDZBQOSA-N 1 0 353.419 2.302 20 5 FEBDRO [NH3+]CCN(Cc1ncc(C2OCCO2)s1)c1ccccc1[N+](=O)[O-] ZINC000289784720 552377650 /nfs/dbraw/zinc/37/76/50/552377650.db2.gz LMBVSOMKQRRPRM-UHFFFAOYSA-N 1 0 350.400 2.062 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000289808799 552381613 /nfs/dbraw/zinc/38/16/13/552381613.db2.gz ADFPRPISXJOFQF-UHFFFAOYSA-N 1 0 362.430 2.086 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000289893948 552395443 /nfs/dbraw/zinc/39/54/43/552395443.db2.gz TYLFVOZDGFLLBY-QWHCGFSZSA-N 1 0 350.419 2.076 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000290447076 552480290 /nfs/dbraw/zinc/48/02/90/552480290.db2.gz LMFPTRHXMFMKFW-UHFFFAOYSA-N 1 0 362.430 2.085 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602038 552642044 /nfs/dbraw/zinc/64/20/44/552642044.db2.gz BWWJPDBTLDVYLW-NEPJUHHUSA-N 1 0 357.357 2.180 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292070837 552690390 /nfs/dbraw/zinc/69/03/90/552690390.db2.gz DOKUMNDFRFOECK-INIZCTEOSA-N 1 0 352.822 2.214 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)C1 ZINC000292159189 552699527 /nfs/dbraw/zinc/69/95/27/552699527.db2.gz CVPBQFQQUUVCGF-LJQANCHMSA-N 1 0 358.442 2.363 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292916076 552770946 /nfs/dbraw/zinc/77/09/46/552770946.db2.gz XNKQIGOKSWGYIZ-INIZCTEOSA-N 1 0 353.444 2.010 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC3(CC2)OCCCO3)c([N+](=O)[O-])c1 ZINC000293006506 552779621 /nfs/dbraw/zinc/77/96/21/552779621.db2.gz NNGYRTNLXUFTAK-UHFFFAOYSA-N 1 0 352.387 2.211 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293457284 552825826 /nfs/dbraw/zinc/82/58/26/552825826.db2.gz TYIFGENYISYJOK-LJQANCHMSA-N 1 0 374.441 2.094 20 5 FEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000293666471 552845462 /nfs/dbraw/zinc/84/54/62/552845462.db2.gz GCNRTVZORTZQAF-MRVPVSSYSA-N 1 0 362.199 2.424 20 5 FEBDRO C[C@H]1[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000293973743 552872186 /nfs/dbraw/zinc/87/21/86/552872186.db2.gz QVBFGPMSTRVJEV-SDADXPQNSA-N 1 0 352.456 2.471 20 5 FEBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000294327087 552897415 /nfs/dbraw/zinc/89/74/15/552897415.db2.gz XGXFZIXHPFKLIX-GOSISDBHSA-N 1 0 363.414 2.170 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1OC ZINC000294884180 552941224 /nfs/dbraw/zinc/94/12/24/552941224.db2.gz QIWFISJAJDJTMU-GFCCVEGCSA-N 1 0 351.403 2.264 20 5 FEBDRO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[N@H+](C)C1 ZINC000502463189 561619050 /nfs/dbraw/zinc/61/90/50/561619050.db2.gz DMCGVSROOMFARU-KBPBESRZSA-N 1 0 370.837 2.109 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC(C)(C)[C@@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000296384714 553151295 /nfs/dbraw/zinc/15/12/95/553151295.db2.gz ULECGMDYQKASDW-ZDUSSCGKSA-N 1 0 359.386 2.406 20 5 FEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCNC(=O)OC(C)(C)C ZINC000297444259 553293180 /nfs/dbraw/zinc/29/31/80/553293180.db2.gz OMQQVBFJVNISIQ-LBPRGKRZSA-N 1 0 366.418 2.378 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000297805034 553341149 /nfs/dbraw/zinc/34/11/49/553341149.db2.gz ICEXKYJYLXBBDM-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000298000172 553369214 /nfs/dbraw/zinc/36/92/14/553369214.db2.gz XUQHQBGRZKGUJY-UHFFFAOYSA-N 1 0 370.837 2.422 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025660 553373234 /nfs/dbraw/zinc/37/32/34/553373234.db2.gz DVHRRTAMXQWYTQ-GXTWGEPZSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000298391026 553419672 /nfs/dbraw/zinc/41/96/72/553419672.db2.gz IBBRWDITZWKCPC-KRWDZBQOSA-N 1 0 363.462 2.297 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000503477771 561642394 /nfs/dbraw/zinc/64/23/94/561642394.db2.gz NHZCCLZKUNPCGD-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO C[C@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524839 553435958 /nfs/dbraw/zinc/43/59/58/553435958.db2.gz VZZAMCAMFDSMKL-ACJLOTCBSA-N 1 0 370.409 2.171 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000298712613 553462151 /nfs/dbraw/zinc/46/21/51/553462151.db2.gz AMBCUHLFAPIRNC-RYUDHWBXSA-N 1 0 351.403 2.166 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298805848 553475401 /nfs/dbraw/zinc/47/54/01/553475401.db2.gz FDFPEVUHHNZLEJ-NSHDSACASA-N 1 0 368.821 2.129 20 5 FEBDRO COc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000298919052 553489744 /nfs/dbraw/zinc/48/97/44/553489744.db2.gz HLMIMVZFLICMEN-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000298921188 553489895 /nfs/dbraw/zinc/48/98/95/553489895.db2.gz NNEVWSIIQHDOBK-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO COc1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000298966997 553496506 /nfs/dbraw/zinc/49/65/06/553496506.db2.gz ZPEJZPXEKLFMPA-UHFFFAOYSA-N 1 0 362.430 2.277 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000299019377 553504170 /nfs/dbraw/zinc/50/41/70/553504170.db2.gz QZVOVSZOVCMUHG-UHFFFAOYSA-N 1 0 362.430 2.094 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113346 553517350 /nfs/dbraw/zinc/51/73/50/553517350.db2.gz ZDRMXGGLAYCDLY-QWHCGFSZSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000299192646 553528054 /nfs/dbraw/zinc/52/80/54/553528054.db2.gz DJOZJYVUAUKZRO-IUODEOHRSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299329289 553548597 /nfs/dbraw/zinc/54/85/97/553548597.db2.gz YXEZZAXZSHSMTH-VIFPVBQESA-N 1 0 359.329 2.029 20 5 FEBDRO COc1cc(S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000504010979 561651897 /nfs/dbraw/zinc/65/18/97/561651897.db2.gz QGMMVMBQXWDKPM-UHFFFAOYSA-N 1 0 373.475 2.343 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000299374871 553554910 /nfs/dbraw/zinc/55/49/10/553554910.db2.gz SDMUGGUBLRVRAJ-KGLIPLIRSA-N 1 0 362.430 2.139 20 5 FEBDRO COc1ccccc1[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000299456494 553565977 /nfs/dbraw/zinc/56/59/77/553565977.db2.gz WEHHOMUANFEVQM-CQSZACIVSA-N 1 0 373.413 2.202 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000299518426 553574513 /nfs/dbraw/zinc/57/45/13/553574513.db2.gz IQEFXFUZHUXMPU-HNNXBMFYSA-N 1 0 373.413 2.202 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000504574517 561659998 /nfs/dbraw/zinc/65/99/98/561659998.db2.gz FIEKEFNSNYVHAZ-VNQPRFMTSA-N 1 0 369.487 2.223 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301091922 553620793 /nfs/dbraw/zinc/62/07/93/553620793.db2.gz IFFNKGJBKBXLFW-UHFFFAOYSA-N 1 0 354.410 2.425 20 5 FEBDRO Nc1nc(N2CCC[N@H+](CCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301171248 553627889 /nfs/dbraw/zinc/62/78/89/553627889.db2.gz XEDIOEBWDPEWHO-UHFFFAOYSA-N 1 0 356.430 2.112 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000504657382 561660838 /nfs/dbraw/zinc/66/08/38/561660838.db2.gz DRRICPIWLPBXNU-IBGZPJMESA-N 1 0 371.437 2.151 20 5 FEBDRO NS(=O)(=O)c1cc(NC2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000301490337 553655447 /nfs/dbraw/zinc/65/54/47/553655447.db2.gz AOWXUWFWPYLZAE-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000301549553 553660110 /nfs/dbraw/zinc/66/01/10/553660110.db2.gz QFSKVFWLECEDPL-UHFFFAOYSA-N 1 0 363.462 2.337 20 5 FEBDRO Cc1nn(C)c(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549006 553660369 /nfs/dbraw/zinc/66/03/69/553660369.db2.gz LTGIAMPOSYJJSX-KBPBESRZSA-N 1 0 365.478 2.352 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)COC)CC2)cc1[N+](=O)[O-] ZINC000504892999 561663765 /nfs/dbraw/zinc/66/37/65/561663765.db2.gz AOTOWCCXWRABEA-CYBMUJFWSA-N 1 0 365.430 2.282 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301855033 553685743 /nfs/dbraw/zinc/68/57/43/553685743.db2.gz BTZREJFZPFTNSE-UHFFFAOYSA-N 1 0 373.251 2.035 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302141651 553706460 /nfs/dbraw/zinc/70/64/60/553706460.db2.gz PCVWNEIVRIPVLV-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO Cc1cccc(N2CC[NH+](CCCNc3ncc([N+](=O)[O-])cn3)CC2)c1 ZINC000302152869 553707351 /nfs/dbraw/zinc/70/73/51/553707351.db2.gz LFLBMVKNBHBRIC-UHFFFAOYSA-N 1 0 356.430 2.317 20 5 FEBDRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302386662 553715765 /nfs/dbraw/zinc/71/57/65/553715765.db2.gz ATFYTKJDAKVNMZ-CYBMUJFWSA-N 1 0 364.475 2.360 20 5 FEBDRO Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437112 553716700 /nfs/dbraw/zinc/71/67/00/553716700.db2.gz MMABKGSWFIOKBT-LSDHHAIUSA-N 1 0 371.441 2.252 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302972323 553742936 /nfs/dbraw/zinc/74/29/36/553742936.db2.gz IHNGSMXGFLDQTP-VXGBXAGGSA-N 1 0 350.419 2.182 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324201856 553771478 /nfs/dbraw/zinc/77/14/78/553771478.db2.gz NCSWLSQXHNRLIB-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000325002937 553774426 /nfs/dbraw/zinc/77/44/26/553774426.db2.gz ZSLJMHWOZJVSRT-LSDHHAIUSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000326823488 553783372 /nfs/dbraw/zinc/78/33/72/553783372.db2.gz YICSJNVIQLPBEM-HNNXBMFYSA-N 1 0 373.862 2.273 20 5 FEBDRO COC(=O)[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000506208406 561693259 /nfs/dbraw/zinc/69/32/59/561693259.db2.gz RGHADSSZZQPBGV-HNNXBMFYSA-N 1 0 361.398 2.199 20 5 FEBDRO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388692 561727601 /nfs/dbraw/zinc/72/76/01/561727601.db2.gz LKMVEYZVWRDQRO-GDBMZVCRSA-N 1 0 369.425 2.352 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330431551 554120781 /nfs/dbraw/zinc/12/07/81/554120781.db2.gz JPOJODOCFOVBHK-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000507955993 561747279 /nfs/dbraw/zinc/74/72/79/561747279.db2.gz NZUZNTDVCKENSZ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000330757224 554167716 /nfs/dbraw/zinc/16/77/16/554167716.db2.gz HWADPRKOEBPYQS-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000331129624 554218271 /nfs/dbraw/zinc/21/82/71/554218271.db2.gz RYJMOHCLYMFSGU-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314268 554246019 /nfs/dbraw/zinc/24/60/19/554246019.db2.gz WVCUQOYIGNGZEY-KBPBESRZSA-N 1 0 355.460 2.302 20 5 FEBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331507968 554276870 /nfs/dbraw/zinc/27/68/70/554276870.db2.gz BCFLTORZSMSAGR-IKGGRYGDSA-N 1 0 363.414 2.192 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572361 554474278 /nfs/dbraw/zinc/47/42/78/554474278.db2.gz DTNWCQWBJCPCIM-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1nc2ccccc2n1CCc1noc(Cn2cc([N+](=O)[O-])cn2)n1 ZINC000350756543 554811054 /nfs/dbraw/zinc/81/10/54/554811054.db2.gz GCRNWNBQGFMKOS-UHFFFAOYSA-N 1 0 353.342 2.123 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350925446 554822806 /nfs/dbraw/zinc/82/28/06/554822806.db2.gz KIEZPGDQOOURSP-UHFFFAOYSA-N 1 0 373.413 2.048 20 5 FEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360535145 554878560 /nfs/dbraw/zinc/87/85/60/554878560.db2.gz ATDNIPZLYZHKMC-KRWDZBQOSA-N 1 0 361.446 2.227 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000360911885 554894759 /nfs/dbraw/zinc/89/47/59/554894759.db2.gz HKWHTMPXWLJHPT-UHFFFAOYSA-N 1 0 359.473 2.342 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000361776392 554934254 /nfs/dbraw/zinc/93/42/54/554934254.db2.gz UFOPNAWTHRBALN-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO CCc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337121 554965173 /nfs/dbraw/zinc/96/51/73/554965173.db2.gz SRTJGQJKQHNCKI-DOMZBBRYSA-N 1 0 361.450 2.119 20 5 FEBDRO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853153 554993279 /nfs/dbraw/zinc/99/32/79/554993279.db2.gz UBYVAHVOHCSTQF-HOTGVXAUSA-N 1 0 358.442 2.118 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363260003 555066121 /nfs/dbraw/zinc/06/61/21/555066121.db2.gz SAWRDXWVJIUURI-DUVNUKRYSA-N 1 0 363.389 2.055 20 5 FEBDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263707 555067298 /nfs/dbraw/zinc/06/72/98/555067298.db2.gz AMKBXRQAQQJHTH-VMGRFDJRSA-N 1 0 369.425 2.094 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000363285408 555070890 /nfs/dbraw/zinc/07/08/90/555070890.db2.gz JYLFYUHGUJOGEO-OLZOCXBDSA-N 1 0 354.457 2.004 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000363614631 555147771 /nfs/dbraw/zinc/14/77/71/555147771.db2.gz VJOJOIMOJLAFBV-MSOLQXFVSA-N 1 0 363.458 2.285 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000363629480 555150362 /nfs/dbraw/zinc/15/03/62/555150362.db2.gz ZOZRUKHZHPGAMF-UHFFFAOYSA-N 1 0 358.398 2.362 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000363645557 555153964 /nfs/dbraw/zinc/15/39/64/555153964.db2.gz QFJUGHRSCBHHOL-UHFFFAOYSA-N 1 0 372.429 2.042 20 5 FEBDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000364054581 555241708 /nfs/dbraw/zinc/24/17/08/555241708.db2.gz JEFFINPKXRSEPH-DFBGVHRSSA-N 1 0 371.397 2.263 20 5 FEBDRO Cc1c(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000364145325 555258512 /nfs/dbraw/zinc/25/85/12/555258512.db2.gz XJFGEWUUJKRESU-CABCVRRESA-N 1 0 362.430 2.356 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000364163303 555261198 /nfs/dbraw/zinc/26/11/98/555261198.db2.gz WUCIGJOHTGLHDA-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000364204465 555269037 /nfs/dbraw/zinc/26/90/37/555269037.db2.gz KWHZOOVOXRBGMQ-IRXDYDNUSA-N 1 0 359.357 2.066 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512395355 561903277 /nfs/dbraw/zinc/90/32/77/561903277.db2.gz TYKYJBULCXXQCX-KBPBESRZSA-N 1 0 367.471 2.038 20 5 FEBDRO COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764093 555396777 /nfs/dbraw/zinc/39/67/77/555396777.db2.gz KJLPLIXAOXZJRS-CHWSQXEVSA-N 1 0 363.414 2.361 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000365028477 555468499 /nfs/dbraw/zinc/46/84/99/555468499.db2.gz CXRIPCRVQOBZEA-CYBMUJFWSA-N 1 0 350.419 2.132 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365059570 555475732 /nfs/dbraw/zinc/47/57/32/555475732.db2.gz ZYRIWHVXUFFMDB-UONOGXRCSA-N 1 0 359.835 2.140 20 5 FEBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc2c1OCO2 ZINC000365117786 555489715 /nfs/dbraw/zinc/48/97/15/555489715.db2.gz RNTRWWOMXLOSNI-UHFFFAOYSA-N 1 0 360.370 2.366 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000513007922 561922508 /nfs/dbraw/zinc/92/25/08/561922508.db2.gz YNOXCGWQPXGYKI-SHRNQRGKSA-N 1 0 367.471 2.402 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000365376422 555557390 /nfs/dbraw/zinc/55/73/90/555557390.db2.gz BTVNVOAQTYZASE-ZIAGYGMSSA-N 1 0 365.434 2.123 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000365398060 555564572 /nfs/dbraw/zinc/56/45/72/555564572.db2.gz HOAYAPDOPSDQPJ-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549088 555605686 /nfs/dbraw/zinc/60/56/86/555605686.db2.gz GHCLXTNGTQBECJ-WQANXHIZSA-N 1 0 370.453 2.116 20 5 FEBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365633886 555627442 /nfs/dbraw/zinc/62/74/42/555627442.db2.gz FHGOMPPRQNYSBI-UHFFFAOYSA-N 1 0 362.430 2.470 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000365671430 555637115 /nfs/dbraw/zinc/63/71/15/555637115.db2.gz KHNQPSSUFYZQFX-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365753226 555659870 /nfs/dbraw/zinc/65/98/70/555659870.db2.gz KFWJHQNOFBHWKY-LSDHHAIUSA-N 1 0 366.466 2.258 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365867251 555688055 /nfs/dbraw/zinc/68/80/55/555688055.db2.gz KVPNTWIRPWLALN-CJNGLKHVSA-N 1 0 364.471 2.045 20 5 FEBDRO CSc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000366561492 555876176 /nfs/dbraw/zinc/87/61/76/555876176.db2.gz BNUZNSMEDTUCMV-CQSZACIVSA-N 1 0 365.455 2.300 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000366681830 555907727 /nfs/dbraw/zinc/90/77/27/555907727.db2.gz JJEIQDVECRSGEH-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000366707851 555914838 /nfs/dbraw/zinc/91/48/38/555914838.db2.gz DTCIFMWVBCMMNU-GOSISDBHSA-N 1 0 360.389 2.375 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000514542569 561967056 /nfs/dbraw/zinc/96/70/56/561967056.db2.gz GFXNNVCFNOZJQA-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000367284601 556008221 /nfs/dbraw/zinc/00/82/21/556008221.db2.gz FHVXMEAPJHUVNC-HNNXBMFYSA-N 1 0 357.414 2.445 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN([C@H]4CCOC4)CC3)o2)c1 ZINC000367412821 556042022 /nfs/dbraw/zinc/04/20/22/556042022.db2.gz MOYUIBXTSUKVPJ-KRWDZBQOSA-N 1 0 372.425 2.199 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000367426438 556045674 /nfs/dbraw/zinc/04/56/74/556045674.db2.gz OPRZWJNYDGCEOL-CQSZACIVSA-N 1 0 354.838 2.067 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000367652113 556105740 /nfs/dbraw/zinc/10/57/40/556105740.db2.gz AJDRTCNZLCETGK-GOEBONIOSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000367989185 556189166 /nfs/dbraw/zinc/18/91/66/556189166.db2.gz WGYPTGUSEXHBLS-CHWSQXEVSA-N 1 0 358.423 2.400 20 5 FEBDRO CC(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000515123880 561997057 /nfs/dbraw/zinc/99/70/57/561997057.db2.gz KUFRRHMGPVODMR-ULQDDVLXSA-N 1 0 365.478 2.221 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000368446159 556311358 /nfs/dbraw/zinc/31/13/58/556311358.db2.gz JIXOFXCCMKBPEZ-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000368446731 556312235 /nfs/dbraw/zinc/31/22/35/556312235.db2.gz MFHDPCPKCTUYHG-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc2cc(C[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000515637080 562017794 /nfs/dbraw/zinc/01/77/94/562017794.db2.gz BYCDLNKUIUYDOU-QGZVFWFLSA-N 1 0 356.382 2.104 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369311655 556571908 /nfs/dbraw/zinc/57/19/08/556571908.db2.gz XWXJUKUCXSZVNM-YOCVDRLZSA-N 1 0 372.469 2.094 20 5 FEBDRO COc1ccc(OCC[NH2+]C2(CO)Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000369826442 556706269 /nfs/dbraw/zinc/70/62/69/556706269.db2.gz VXFDGFHDXJORHU-UHFFFAOYSA-N 1 0 358.394 2.102 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370005495 556755743 /nfs/dbraw/zinc/75/57/43/556755743.db2.gz GBNLJIIZIGUVQC-UONOGXRCSA-N 1 0 357.414 2.220 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679346 562054115 /nfs/dbraw/zinc/05/41/15/562054115.db2.gz QIJATOFKKHVSTR-ZFWWWQNUSA-N 1 0 365.455 2.289 20 5 FEBDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516875679 562062231 /nfs/dbraw/zinc/06/22/31/562062231.db2.gz VJZPXSWKXKLMLU-QGZVFWFLSA-N 1 0 374.441 2.160 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370423068 556868892 /nfs/dbraw/zinc/86/88/92/556868892.db2.gz JYGFICFNVHNGCA-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227276 557112453 /nfs/dbraw/zinc/11/24/53/557112453.db2.gz CIQQXWVPVXUXBJ-XHDPSFHLSA-N 1 0 363.805 2.394 20 5 FEBDRO Cc1c(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000371292245 557134028 /nfs/dbraw/zinc/13/40/28/557134028.db2.gz BHDPWKNCMMGCLV-RYQLBKOJSA-N 1 0 361.442 2.156 20 5 FEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336586 557151620 /nfs/dbraw/zinc/15/16/20/557151620.db2.gz RVHVUXYQHNIRAE-NVXWUHKLSA-N 1 0 360.414 2.295 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371506308 557203481 /nfs/dbraw/zinc/20/34/81/557203481.db2.gz QHVKGBMMCGUNMZ-SMDDNHRTSA-N 1 0 373.862 2.271 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000371546761 557216768 /nfs/dbraw/zinc/21/67/68/557216768.db2.gz OCOFFPDQKZKLOO-RDTXWAMCSA-N 1 0 358.442 2.361 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371872488 557316072 /nfs/dbraw/zinc/31/60/72/557316072.db2.gz LJBZDGBVKULINL-INIZCTEOSA-N 1 0 360.414 2.010 20 5 FEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000518431722 562111470 /nfs/dbraw/zinc/11/14/70/562111470.db2.gz ILLPSMDYBNFQKN-LJQANCHMSA-N 1 0 372.469 2.364 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000518607513 562115199 /nfs/dbraw/zinc/11/51/99/562115199.db2.gz DDGKBDQEAQULJK-IVMMDQJWSA-N 1 0 365.405 2.479 20 5 FEBDRO COC(=O)c1cn([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000372037395 557363692 /nfs/dbraw/zinc/36/36/92/557363692.db2.gz LHJTWVGNXXBNHD-SZTZYQKNSA-N 1 0 371.397 2.323 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ncc[nH]2)c2ncccc12 ZINC000372057231 557369011 /nfs/dbraw/zinc/36/90/11/557369011.db2.gz CZDDQIUXFOOEKN-ZDUSSCGKSA-N 1 0 373.394 2.392 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372156395 557394589 /nfs/dbraw/zinc/39/45/89/557394589.db2.gz KHIOCXUHTLMPFA-UONOGXRCSA-N 1 0 363.414 2.290 20 5 FEBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518957482 562121845 /nfs/dbraw/zinc/12/18/45/562121845.db2.gz HTRKORSJPDZUFQ-QGZVFWFLSA-N 1 0 355.398 2.089 20 5 FEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518977290 562122347 /nfs/dbraw/zinc/12/23/47/562122347.db2.gz IEESXSBQOYQDBD-WMZOPIPTSA-N 1 0 361.442 2.272 20 5 FEBDRO CC(C)[C@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000519034996 562123762 /nfs/dbraw/zinc/12/37/62/562123762.db2.gz IPOCOYJLKYHJSW-RHSMWYFYSA-N 1 0 370.471 2.409 20 5 FEBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000372353600 557447904 /nfs/dbraw/zinc/44/79/04/557447904.db2.gz ANWPTHJVBCYKOH-RDJZCZTQSA-N 1 0 360.458 2.001 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372403337 557461917 /nfs/dbraw/zinc/46/19/17/557461917.db2.gz GLUBFNAVYQLHIR-LPHOPBHVSA-N 1 0 354.410 2.342 20 5 FEBDRO Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519545774 562134355 /nfs/dbraw/zinc/13/43/55/562134355.db2.gz YJSSICCABTUWHA-OAHLLOKOSA-N 1 0 373.438 2.374 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372783241 557561591 /nfs/dbraw/zinc/56/15/91/557561591.db2.gz QSBRMQFVUBAJDF-OAHLLOKOSA-N 1 0 360.458 2.332 20 5 FEBDRO C[N@@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000372842248 557573418 /nfs/dbraw/zinc/57/34/18/557573418.db2.gz VWDNCDNHTGEVRW-BDJLRTHQSA-N 1 0 358.427 2.804 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)CC1 ZINC000373044235 557615870 /nfs/dbraw/zinc/61/58/70/557615870.db2.gz FNZWKUJWGBQGED-UHFFFAOYSA-N 1 0 373.501 2.417 20 5 FEBDRO O=C1O[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CN1c1ccccc1 ZINC000373296179 557667577 /nfs/dbraw/zinc/66/75/77/557667577.db2.gz ZGTFUFNNKHNIKX-MRXNPFEDSA-N 1 0 371.397 2.454 20 5 FEBDRO O=C(CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000373566037 557719347 /nfs/dbraw/zinc/71/93/47/557719347.db2.gz GUMYQXYZKZNDET-HNNXBMFYSA-N 1 0 355.398 2.018 20 5 FEBDRO COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582360 557722817 /nfs/dbraw/zinc/72/28/17/557722817.db2.gz GZLKWIZPNNBGAT-CQSZACIVSA-N 1 0 374.397 2.294 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000373747253 557750714 /nfs/dbraw/zinc/75/07/14/557750714.db2.gz TZFKXOZGEJQTDU-CQSZACIVSA-N 1 0 350.419 2.132 20 5 FEBDRO CCOC(=O)C1(COC)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000373809601 557764416 /nfs/dbraw/zinc/76/44/16/557764416.db2.gz JRWMGQWRQQBDHA-UHFFFAOYSA-N 1 0 366.414 2.265 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928646 557789320 /nfs/dbraw/zinc/78/93/20/557789320.db2.gz GGLKQMABWHFHNR-PBHICJAKSA-N 1 0 355.398 2.137 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000373992153 557803144 /nfs/dbraw/zinc/80/31/44/557803144.db2.gz KGQGOZUNQGJUEV-UHFFFAOYSA-N 1 0 354.410 2.427 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000374114868 557825844 /nfs/dbraw/zinc/82/58/44/557825844.db2.gz NZYWKRQCAIEOET-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCCOC(C)(C)C1 ZINC000374244076 557849659 /nfs/dbraw/zinc/84/96/59/557849659.db2.gz UFROACJWHGGRKQ-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374315860 557864032 /nfs/dbraw/zinc/86/40/32/557864032.db2.gz ZTSHPEASARICOT-DOTOQJQBSA-N 1 0 373.384 2.327 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000374320104 557865004 /nfs/dbraw/zinc/86/50/04/557865004.db2.gz FQSMUXQECRLOJV-MRXNPFEDSA-N 1 0 350.806 2.473 20 5 FEBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000521053379 562168543 /nfs/dbraw/zinc/16/85/43/562168543.db2.gz HHNDNNFXVFABJA-UONOGXRCSA-N 1 0 356.220 2.267 20 5 FEBDRO COc1cccc([C@H]2[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)CCN2C2CC2)c1 ZINC000374783113 557930962 /nfs/dbraw/zinc/93/09/62/557930962.db2.gz YTCILXHQNMLEPX-HKUYNNGSSA-N 1 0 371.441 2.368 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000374889524 557946415 /nfs/dbraw/zinc/94/64/15/557946415.db2.gz DEDYLYLMZDNOQL-CQSZACIVSA-N 1 0 362.386 2.416 20 5 FEBDRO CCc1nc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000521227724 562172306 /nfs/dbraw/zinc/17/23/06/562172306.db2.gz ZLBZNDUYSCIXAW-AWEZNQCLSA-N 1 0 351.428 2.186 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1SC ZINC000375066554 557972891 /nfs/dbraw/zinc/97/28/91/557972891.db2.gz RWPQNRNQCBVEQR-BXUZGUMPSA-N 1 0 365.455 2.492 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623730 558058181 /nfs/dbraw/zinc/05/81/81/558058181.db2.gz LBDUIYTUVZBSJW-GOEBONIOSA-N 1 0 367.471 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000375704007 558070112 /nfs/dbraw/zinc/07/01/12/558070112.db2.gz ZOCGLOCJHXRQCJ-UHFFFAOYSA-N 1 0 363.414 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1OC(F)F ZINC000375902043 558096098 /nfs/dbraw/zinc/09/60/98/558096098.db2.gz DZHPFZUHFWQCJI-OCCSQVGLSA-N 1 0 357.357 2.232 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376079163 558123989 /nfs/dbraw/zinc/12/39/89/558123989.db2.gz FTQIYELZEMQCOU-CQSZACIVSA-N 1 0 364.450 2.012 20 5 FEBDRO O=c1[nH]c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218958 558143371 /nfs/dbraw/zinc/14/33/71/558143371.db2.gz LWGVMNAJYQIDPT-SGIREYDYSA-N 1 0 355.398 2.164 20 5 FEBDRO COCC[C@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000376790020 558221698 /nfs/dbraw/zinc/22/16/98/558221698.db2.gz RQHKNTYORJLMLI-MRXNPFEDSA-N 1 0 355.822 2.223 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000522137543 562192413 /nfs/dbraw/zinc/19/24/13/562192413.db2.gz RRNFCRGSQQSBAU-CXAGYDPISA-N 1 0 351.451 2.117 20 5 FEBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]([C@@H]2CCCO2)N1 ZINC000377727194 558406390 /nfs/dbraw/zinc/40/63/90/558406390.db2.gz RGPBLFNLFCHCIM-NOLJZWGESA-N 1 0 353.806 2.164 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000377780530 558418400 /nfs/dbraw/zinc/41/84/00/558418400.db2.gz QKBJINJBGPZVOV-AWEZNQCLSA-N 1 0 373.413 2.384 20 5 FEBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000377814390 558425555 /nfs/dbraw/zinc/42/55/55/558425555.db2.gz NQTBNXVBRXWIEF-ZOBUZTSGSA-N 1 0 369.425 2.012 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000377953234 558451196 /nfs/dbraw/zinc/45/11/96/558451196.db2.gz WTQKEXMEABULLV-INIZCTEOSA-N 1 0 355.398 2.276 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523283345 562210454 /nfs/dbraw/zinc/21/04/54/562210454.db2.gz FRJXSEXQPWOMLT-AWEZNQCLSA-N 1 0 351.451 2.297 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303265 558524627 /nfs/dbraw/zinc/52/46/27/558524627.db2.gz CIPSJWACQMXROL-IRXDYDNUSA-N 1 0 371.441 2.012 20 5 FEBDRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000397514690 558624362 /nfs/dbraw/zinc/62/43/62/558624362.db2.gz RLVNGXMAQJKONY-UHFFFAOYSA-N 1 0 369.421 2.352 20 5 FEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408374948 558671905 /nfs/dbraw/zinc/67/19/05/558671905.db2.gz QKIXNMBZXKFPGE-OIISXLGYSA-N 1 0 372.469 2.465 20 5 FEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408374944 558672173 /nfs/dbraw/zinc/67/21/73/558672173.db2.gz QKIXNMBZXKFPGE-BHYGNILZSA-N 1 0 372.469 2.465 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000408448470 558677941 /nfs/dbraw/zinc/67/79/41/558677941.db2.gz VLRGRSGVZLGUHA-DLTWYDFYSA-N 1 0 350.419 2.203 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000524719280 562233031 /nfs/dbraw/zinc/23/30/31/562233031.db2.gz AUWMQLJMAAEINZ-ZDUSSCGKSA-N 1 0 357.414 2.067 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525086302 562240135 /nfs/dbraw/zinc/24/01/35/562240135.db2.gz HWPKIFOUCWTLOG-KBPBESRZSA-N 1 0 370.475 2.026 20 5 FEBDRO COc1ccccc1C[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411224720 558856002 /nfs/dbraw/zinc/85/60/02/558856002.db2.gz LSICSOJGMHFLKH-UHFFFAOYSA-N 1 0 373.409 2.427 20 5 FEBDRO Cn1cccc1[C@H]1COCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411548970 558915102 /nfs/dbraw/zinc/91/51/02/558915102.db2.gz GIMHAJVUVGQQBQ-QGZVFWFLSA-N 1 0 358.398 2.335 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000411616965 558929812 /nfs/dbraw/zinc/92/98/12/558929812.db2.gz GCTQMGLQBYZVPF-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411849056 558975906 /nfs/dbraw/zinc/97/59/06/558975906.db2.gz NZNFJTNTZZOXHY-QGZVFWFLSA-N 1 0 363.414 2.433 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411907961 558986236 /nfs/dbraw/zinc/98/62/36/558986236.db2.gz CNQGTINLFIMATI-YQVWRLOYSA-N 1 0 358.394 2.142 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412086143 559011650 /nfs/dbraw/zinc/01/16/50/559011650.db2.gz BDLIDPVMFZOVAX-GFCCVEGCSA-N 1 0 353.394 2.276 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412119815 559015476 /nfs/dbraw/zinc/01/54/76/559015476.db2.gz CZLQVXJLHYOROF-OKZBNKHCSA-N 1 0 361.442 2.268 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1F ZINC000412188775 559018945 /nfs/dbraw/zinc/01/89/45/559018945.db2.gz CAMDFCMARCMNJS-JSGCOSHPSA-N 1 0 365.405 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC[NH+](C3CCC3)CC2)c1F ZINC000412397120 559033127 /nfs/dbraw/zinc/03/31/27/559033127.db2.gz COLFXZFCRWVSIS-UHFFFAOYSA-N 1 0 365.405 2.418 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1F ZINC000412405208 559033673 /nfs/dbraw/zinc/03/36/73/559033673.db2.gz WZWZKWUVGMIEND-YOGCLGLASA-N 1 0 351.378 2.026 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000413896365 559137870 /nfs/dbraw/zinc/13/78/70/559137870.db2.gz BYDXWGJLWCXEJJ-UHFFFAOYSA-N 1 0 365.365 2.212 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414294833 559155172 /nfs/dbraw/zinc/15/51/72/559155172.db2.gz FCOVNOLHBFKACM-YVLXSGLVSA-N 1 0 357.357 2.450 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000414553171 559171032 /nfs/dbraw/zinc/17/10/32/559171032.db2.gz IDSKSOQSXRRTFU-UHFFFAOYSA-N 1 0 356.444 2.298 20 5 FEBDRO COc1cc(CNC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414849172 559190734 /nfs/dbraw/zinc/19/07/34/559190734.db2.gz QYCBSCHORLPVAN-NSHDSACASA-N 1 0 363.336 2.386 20 5 FEBDRO COc1cc(CN[C@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414883418 559192960 /nfs/dbraw/zinc/19/29/60/559192960.db2.gz AIDOOYXMMCWLCK-SECBINFHSA-N 1 0 351.325 2.371 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415604862 559254565 /nfs/dbraw/zinc/25/45/65/559254565.db2.gz WPLDKNRDOBGECV-BMLIUANNSA-N 1 0 364.402 2.138 20 5 FEBDRO COc1cc(C(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000416292613 559302998 /nfs/dbraw/zinc/30/29/98/559302998.db2.gz ROWULZLSJXHFME-UHFFFAOYSA-N 1 0 359.329 2.029 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000527279385 562283559 /nfs/dbraw/zinc/28/35/59/562283559.db2.gz ATVKSNUSRSZYJI-CQSZACIVSA-N 1 0 370.409 2.451 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000416661668 559328374 /nfs/dbraw/zinc/32/83/74/559328374.db2.gz NBYINUCCIAGUAQ-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000417128558 559349103 /nfs/dbraw/zinc/34/91/03/559349103.db2.gz INTOXELNILSALB-DZGCQCFKSA-N 1 0 362.430 2.053 20 5 FEBDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000417128561 559349160 /nfs/dbraw/zinc/34/91/60/559349160.db2.gz INTOXELNILSALB-ZFWWWQNUSA-N 1 0 362.430 2.053 20 5 FEBDRO CCCN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000417715581 559373757 /nfs/dbraw/zinc/37/37/57/559373757.db2.gz KDRFFNNYZBVIIE-HNNXBMFYSA-N 1 0 363.462 2.489 20 5 FEBDRO CC[C@H](NC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860722 559379703 /nfs/dbraw/zinc/37/97/03/559379703.db2.gz YZFATGXJFHZBQC-XHSDSOJGSA-N 1 0 350.419 2.194 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417996625 559385772 /nfs/dbraw/zinc/38/57/72/559385772.db2.gz SVRLJVMGIZPVTE-TZMCWYRMSA-N 1 0 352.822 2.184 20 5 FEBDRO Cc1c(CNC(=O)NCCC[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000418081368 559389495 /nfs/dbraw/zinc/38/94/95/559389495.db2.gz NWMTUOGYIYRBQO-UHFFFAOYSA-N 1 0 357.414 2.277 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418747221 559413837 /nfs/dbraw/zinc/41/38/37/559413837.db2.gz AGISSDDAHRFSQH-AWEZNQCLSA-N 1 0 354.357 2.266 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419294239 559435649 /nfs/dbraw/zinc/43/56/49/559435649.db2.gz BABFVPKNHGRTHA-CQSZACIVSA-N 1 0 350.415 2.368 20 5 FEBDRO C[NH2+]C[C@@H](C)CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000420215026 559476839 /nfs/dbraw/zinc/47/68/39/559476839.db2.gz VXRWOMUIYCWVRV-SNVBAGLBSA-N 1 0 351.794 2.062 20 5 FEBDRO CC(C)(C)[C@@H](C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420368051 559483434 /nfs/dbraw/zinc/48/34/34/559483434.db2.gz TXCJCBPONALBKD-GFCCVEGCSA-N 1 0 373.251 2.259 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420467435 559489103 /nfs/dbraw/zinc/48/91/03/559489103.db2.gz SIZZAIUCWSKMRY-QGZVFWFLSA-N 1 0 363.439 2.277 20 5 FEBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000421037157 559521291 /nfs/dbraw/zinc/52/12/91/559521291.db2.gz RLYDAYUHGRPJKW-LLVKDONJSA-N 1 0 371.821 2.360 20 5 FEBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421350528 559539981 /nfs/dbraw/zinc/53/99/81/559539981.db2.gz LBMLMILSMYGRNF-UONOGXRCSA-N 1 0 362.430 2.160 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000421707180 559550224 /nfs/dbraw/zinc/55/02/24/559550224.db2.gz WSOAGVKXUDZUOC-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1cc(C(=O)N2CCNC[C@@H]2c2cccnc2)cc([N+](=O)[O-])c1C ZINC000423616301 559634119 /nfs/dbraw/zinc/63/41/19/559634119.db2.gz RRGRYENPSZBJHH-MRXNPFEDSA-N 1 0 356.382 2.094 20 5 FEBDRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423717733 559636883 /nfs/dbraw/zinc/63/68/83/559636883.db2.gz BFSXISNHNOQWOF-ZDUSSCGKSA-N 1 0 355.398 2.200 20 5 FEBDRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730310 559637268 /nfs/dbraw/zinc/63/72/68/559637268.db2.gz WJPDQZIONOOLBM-GFCCVEGCSA-N 1 0 355.398 2.200 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423969792 559648402 /nfs/dbraw/zinc/64/84/02/559648402.db2.gz JEYQIELPISCXRE-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000423993552 559649562 /nfs/dbraw/zinc/64/95/62/559649562.db2.gz AWRWFDPMXMSLJQ-PKOBYXMFSA-N 1 0 361.442 2.272 20 5 FEBDRO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000423997113 559649953 /nfs/dbraw/zinc/64/99/53/559649953.db2.gz LARPHTDMQDGYQL-MRXNPFEDSA-N 1 0 371.393 2.399 20 5 FEBDRO CN(CC[NH3+])C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000424000789 559650199 /nfs/dbraw/zinc/65/01/99/559650199.db2.gz GAXZSTFWEAYCQX-UHFFFAOYSA-N 1 0 374.363 2.247 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000424021764 559651566 /nfs/dbraw/zinc/65/15/66/559651566.db2.gz UHPKASOFWYFWJV-JSGCOSHPSA-N 1 0 367.471 2.280 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424038121 559652125 /nfs/dbraw/zinc/65/21/25/559652125.db2.gz LIMTUFOZSLYKRL-DZGCQCFKSA-N 1 0 359.357 2.309 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000424039069 559652204 /nfs/dbraw/zinc/65/22/04/559652204.db2.gz NDOVNQSTDMQCGS-GOEBONIOSA-N 1 0 372.400 2.489 20 5 FEBDRO NC(=O)c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000425279770 559694709 /nfs/dbraw/zinc/69/47/09/559694709.db2.gz VQZUBLUZFLHWRQ-QFBILLFUSA-N 1 0 366.421 2.404 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000425415047 559700939 /nfs/dbraw/zinc/70/09/39/559700939.db2.gz JGRPUJYLVYGMPL-AWEZNQCLSA-N 1 0 364.446 2.408 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000425466912 559703790 /nfs/dbraw/zinc/70/37/90/559703790.db2.gz CFMALGVAUZBHDG-NEPJUHHUSA-N 1 0 372.263 2.244 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000425654354 559713254 /nfs/dbraw/zinc/71/32/54/559713254.db2.gz AYGTXYKKZMYXMP-UHFFFAOYSA-N 1 0 366.418 2.178 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000426879812 559743579 /nfs/dbraw/zinc/74/35/79/559743579.db2.gz WHQJERYOGYDMLE-ZDUSSCGKSA-N 1 0 365.411 2.210 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428548128 559777866 /nfs/dbraw/zinc/77/78/66/559777866.db2.gz NQEYFWUEIDMILP-SFHVURJKSA-N 1 0 355.394 2.343 20 5 FEBDRO COc1cccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428551206 559778023 /nfs/dbraw/zinc/77/80/23/559778023.db2.gz KAAJYLQNEBLGKP-HNNXBMFYSA-N 1 0 371.393 2.422 20 5 FEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000429195667 559792871 /nfs/dbraw/zinc/79/28/71/559792871.db2.gz XHBCAPQDIZXPRQ-TVQRCGJNSA-N 1 0 356.220 2.096 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429303634 559795256 /nfs/dbraw/zinc/79/52/56/559795256.db2.gz WONASHMCLBAVKJ-CYBMUJFWSA-N 1 0 371.393 2.395 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429309000 559795531 /nfs/dbraw/zinc/79/55/31/559795531.db2.gz MBDKOTVGFPQEKS-ZDUSSCGKSA-N 1 0 371.393 2.395 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431493457 559840333 /nfs/dbraw/zinc/84/03/33/559840333.db2.gz BRYVBCGRHANAPR-UHFFFAOYSA-N 1 0 364.446 2.145 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432326716 559856380 /nfs/dbraw/zinc/85/63/80/559856380.db2.gz CYQQFLWXWBHXTP-INIZCTEOSA-N 1 0 372.425 2.320 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cnn(C)c1 ZINC000433308705 559876531 /nfs/dbraw/zinc/87/65/31/559876531.db2.gz YSONFQKBJRZPDL-SUMWQHHRSA-N 1 0 374.445 2.202 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433559703 559884156 /nfs/dbraw/zinc/88/41/56/559884156.db2.gz UJVVWANEGORFCK-INIZCTEOSA-N 1 0 362.430 2.420 20 5 FEBDRO CCOC(=O)Cn1nc(C)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1C ZINC000437788999 559969641 /nfs/dbraw/zinc/96/96/41/559969641.db2.gz PTJBPMKAODVIIS-UHFFFAOYSA-N 1 0 360.414 2.304 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000439478803 559995197 /nfs/dbraw/zinc/99/51/97/559995197.db2.gz ODNAYIWWPPMOLI-SFHVURJKSA-N 1 0 350.415 2.429 20 5 FEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514737 560163611 /nfs/dbraw/zinc/16/36/11/560163611.db2.gz HJQMBACNDMKQFP-BRWVUGGUSA-N 1 0 365.478 2.221 20 5 FEBDRO CC(C)[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000447803947 560169484 /nfs/dbraw/zinc/16/94/84/560169484.db2.gz CKLGRBNWJLPJKQ-LJQANCHMSA-N 1 0 362.474 2.203 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447926202 560173159 /nfs/dbraw/zinc/17/31/59/560173159.db2.gz ACZQERGXFLVUKH-OAHLLOKOSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447941591 560174121 /nfs/dbraw/zinc/17/41/21/560174121.db2.gz LDADSZCRJYPPAY-HNNXBMFYSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000449093844 560215732 /nfs/dbraw/zinc/21/57/32/560215732.db2.gz PUWUSEUQCCFDAB-CRAIPNDOSA-N 1 0 365.499 2.323 20 5 FEBDRO COc1ccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000449240138 560221331 /nfs/dbraw/zinc/22/13/31/560221331.db2.gz XSMWDUHTCCNVID-IBGZPJMESA-N 1 0 355.394 2.151 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000449319498 560225088 /nfs/dbraw/zinc/22/50/88/560225088.db2.gz KCYAINSZUQDOEO-SWLSCSKDSA-N 1 0 361.364 2.379 20 5 FEBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000449392879 560228867 /nfs/dbraw/zinc/22/88/67/560228867.db2.gz LKGFQQLEOGBXCN-KRWDZBQOSA-N 1 0 352.387 2.005 20 5 FEBDRO CC[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000449533679 560233058 /nfs/dbraw/zinc/23/30/58/560233058.db2.gz BMRVDOBYBPWWFU-QPUJVOFHSA-N 1 0 364.183 2.448 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000449614764 560234902 /nfs/dbraw/zinc/23/49/02/560234902.db2.gz ITEOQBCXLSDSHR-ZKHDCCDFSA-N 1 0 355.398 2.026 20 5 FEBDRO C[C@@H]1CCCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2[N+](=O)[O-])C1 ZINC000449740407 560238558 /nfs/dbraw/zinc/23/85/58/560238558.db2.gz PAMNMRNXPZMURH-SIIHOXLZSA-N 1 0 358.442 2.265 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931148 560245647 /nfs/dbraw/zinc/24/56/47/560245647.db2.gz NWWPSJHCIVUFDP-HIFRSBDPSA-N 1 0 357.414 2.193 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148576 560252256 /nfs/dbraw/zinc/25/22/56/560252256.db2.gz PZNJHRRUWAWNOL-RISCZKNCSA-N 1 0 351.378 2.299 20 5 FEBDRO Cc1nc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450255070 560255856 /nfs/dbraw/zinc/25/58/56/560255856.db2.gz XWIPJKJLEYRNPL-OKILXGFUSA-N 1 0 371.441 2.915 20 5 FEBDRO O=C(c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000450797835 560273679 /nfs/dbraw/zinc/27/36/79/560273679.db2.gz XSEMJAGONFCULF-IYBDPMFKSA-N 1 0 374.441 2.106 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451425461 560306445 /nfs/dbraw/zinc/30/64/45/560306445.db2.gz UEQHCHLXWXRCJS-YSVLISHTSA-N 1 0 363.414 2.167 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@@H]21 ZINC000451480820 560309572 /nfs/dbraw/zinc/30/95/72/560309572.db2.gz RGBSKUMGLHFNGH-QGTPRVQTSA-N 1 0 359.426 2.277 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]21 ZINC000451482696 560309764 /nfs/dbraw/zinc/30/97/64/560309764.db2.gz WRESJEOOCHBSHH-ZTFGCOKTSA-N 1 0 359.426 2.277 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451487018 560309992 /nfs/dbraw/zinc/30/99/92/560309992.db2.gz KSOAMSGRCTZZOT-RHSMWYFYSA-N 1 0 351.403 2.335 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734539 560325600 /nfs/dbraw/zinc/32/56/00/560325600.db2.gz WYRNEDBGKWEBKU-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000451890966 560335041 /nfs/dbraw/zinc/33/50/41/560335041.db2.gz RMCWJKSINYPTEL-GFCCVEGCSA-N 1 0 359.386 2.460 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451920870 560337353 /nfs/dbraw/zinc/33/73/53/560337353.db2.gz YIQLIAHMIGEHHZ-HOTGVXAUSA-N 1 0 360.458 2.251 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452786253 560373980 /nfs/dbraw/zinc/37/39/80/560373980.db2.gz XFHDFKSUEVCCRA-ZDUSSCGKSA-N 1 0 355.822 2.133 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000452983041 560379976 /nfs/dbraw/zinc/37/99/76/560379976.db2.gz YUJQOHJVQMYCJY-SWLSCSKDSA-N 1 0 365.455 2.109 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453045689 560382402 /nfs/dbraw/zinc/38/24/02/560382402.db2.gz ZIOFGMPYGPAZFV-UHIISALHSA-N 1 0 353.806 2.178 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000454623862 560451714 /nfs/dbraw/zinc/45/17/14/560451714.db2.gz SAODDGNZTZODTL-ZDUSSCGKSA-N 1 0 369.425 2.208 20 5 FEBDRO CNc1nc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000455985397 560503499 /nfs/dbraw/zinc/50/34/99/560503499.db2.gz ALRBRSORWAERFF-UHFFFAOYSA-N 1 0 370.413 2.073 20 5 FEBDRO CNc1nc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000456020867 560504765 /nfs/dbraw/zinc/50/47/65/560504765.db2.gz QPEPWIIMGMFIEP-UHFFFAOYSA-N 1 0 361.377 2.162 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456316472 560515054 /nfs/dbraw/zinc/51/50/54/560515054.db2.gz AFECTYJRGVJQGA-OAHLLOKOSA-N 1 0 371.441 2.080 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000456908984 560537204 /nfs/dbraw/zinc/53/72/04/560537204.db2.gz YHTOYVZXWJUMNP-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458174363 560606918 /nfs/dbraw/zinc/60/69/18/560606918.db2.gz SCEDAXCOFHSFSE-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459505675 560690599 /nfs/dbraw/zinc/69/05/99/560690599.db2.gz IXNNVEDKIFOHLZ-MAUKXSAKSA-N 1 0 356.426 2.276 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000459674108 560701492 /nfs/dbraw/zinc/70/14/92/560701492.db2.gz BOXMPZRRRKJDKK-BONVTDFDSA-N 1 0 352.774 2.293 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459767610 560707259 /nfs/dbraw/zinc/70/72/59/560707259.db2.gz ANUHJRPOIZKHEB-NZSAHSFTSA-N 1 0 364.442 2.208 20 5 FEBDRO NC(=O)C1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C2CC3CC(C2)CC1C3 ZINC000459782323 560707892 /nfs/dbraw/zinc/70/78/92/560707892.db2.gz UJFBXJDSIVAFTP-UHFFFAOYSA-N 1 0 369.425 2.241 20 5 FEBDRO C[C@@H](CN(C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818089 560710704 /nfs/dbraw/zinc/71/07/04/560710704.db2.gz XZUKWIQVMDVALS-LBPRGKRZSA-N 1 0 351.403 2.443 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000461801425 560784816 /nfs/dbraw/zinc/78/48/16/560784816.db2.gz FDXFHUPWIYQOKP-AWEZNQCLSA-N 1 0 364.446 2.488 20 5 FEBDRO CC(C)C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000465134816 560858834 /nfs/dbraw/zinc/85/88/34/560858834.db2.gz XMYWOXGKEKTUHT-CQSZACIVSA-N 1 0 365.430 2.001 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127703 560904153 /nfs/dbraw/zinc/90/41/53/560904153.db2.gz HZEHGVMPXSHDCJ-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO CCN(CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000468648012 560935060 /nfs/dbraw/zinc/93/50/60/560935060.db2.gz IKHUPFRGPHDEHE-KAMYIIQDSA-N 1 0 355.460 2.259 20 5 FEBDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000468688617 560936106 /nfs/dbraw/zinc/93/61/06/560936106.db2.gz GTXANKKCALDBBF-GFCCVEGCSA-N 1 0 374.397 2.367 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000469049574 560945806 /nfs/dbraw/zinc/94/58/06/560945806.db2.gz PBQMZLHNCUDNFB-CQSZACIVSA-N 1 0 359.386 2.124 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000469071180 560946413 /nfs/dbraw/zinc/94/64/13/560946413.db2.gz SDNACSHWFZHSFD-UHFFFAOYSA-N 1 0 364.446 2.140 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470141784 560975180 /nfs/dbraw/zinc/97/51/80/560975180.db2.gz LJFXCACEGUTAEU-LBPRGKRZSA-N 1 0 366.393 2.451 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470139847 560975212 /nfs/dbraw/zinc/97/52/12/560975212.db2.gz BMCXHHHMMDDLJQ-AWEZNQCLSA-N 1 0 354.382 2.092 20 5 FEBDRO CNC(=O)c1cccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472618144 561031139 /nfs/dbraw/zinc/03/11/39/561031139.db2.gz WAKBATRCIMFRIZ-IRXDYDNUSA-N 1 0 371.441 2.467 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000472627454 561031332 /nfs/dbraw/zinc/03/13/32/561031332.db2.gz FZCUBDRLPPGVEP-DOTOQJQBSA-N 1 0 351.403 2.073 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473178211 561043578 /nfs/dbraw/zinc/04/35/78/561043578.db2.gz PZYCEQDTWGYZOG-AWEZNQCLSA-N 1 0 365.411 2.317 20 5 FEBDRO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358414 561072065 /nfs/dbraw/zinc/07/20/65/561072065.db2.gz VRXVSQAFJDJOFA-HNNXBMFYSA-N 1 0 365.430 2.111 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000474360910 561072217 /nfs/dbraw/zinc/07/22/17/561072217.db2.gz YYAZJYFBVRDVOO-UHFFFAOYSA-N 1 0 364.329 2.281 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370626 561072415 /nfs/dbraw/zinc/07/24/15/561072415.db2.gz LAAANFOSCCYNAR-LSDHHAIUSA-N 1 0 352.387 2.050 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475567935 561100098 /nfs/dbraw/zinc/10/00/98/561100098.db2.gz DSUXRSGTHMKMJH-UHFFFAOYSA-N 1 0 366.414 2.274 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000476631794 561124796 /nfs/dbraw/zinc/12/47/96/561124796.db2.gz PGNBRVHVABSDJT-CYBMUJFWSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476657815 561125500 /nfs/dbraw/zinc/12/55/00/561125500.db2.gz MHQMJEBSPNXNCD-UKRRQHHQSA-N 1 0 357.414 2.111 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000477021436 561134394 /nfs/dbraw/zinc/13/43/94/561134394.db2.gz AIAANPGTIMVSSS-GDBMZVCRSA-N 1 0 371.441 2.453 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)CC(C)C ZINC000531387048 562444258 /nfs/dbraw/zinc/44/42/58/562444258.db2.gz WQOXGPISZSROBH-CYBMUJFWSA-N 1 0 372.491 2.411 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])cn3)CCCC2)CC1 ZINC000531628172 562452052 /nfs/dbraw/zinc/45/20/52/562452052.db2.gz LOHYQOFYQGFTLV-UHFFFAOYSA-N 1 0 362.430 2.143 20 5 FEBDRO COc1cc(C[NH2+]CCN2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000533104566 562498682 /nfs/dbraw/zinc/49/86/82/562498682.db2.gz YGKBAPBGOOXZAE-UHFFFAOYSA-N 1 0 363.336 2.340 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534252117 562528620 /nfs/dbraw/zinc/52/86/20/562528620.db2.gz XLPICYSTIYWCAY-UHFFFAOYSA-N 1 0 373.457 2.224 20 5 FEBDRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537092414 562585384 /nfs/dbraw/zinc/58/53/84/562585384.db2.gz WNWDLOWLQFGWQO-CQSZACIVSA-N 1 0 364.446 2.408 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568340979 568026452 /nfs/dbraw/zinc/02/64/52/568026452.db2.gz ZUYZVPQLMQGPHO-OAHLLOKOSA-N 1 0 359.430 2.402 20 5 FEBDRO C[C@H](Cc1cccc(O)c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568620365 568099735 /nfs/dbraw/zinc/09/97/35/568099735.db2.gz MDHFWSNWKMFEIG-CYBMUJFWSA-N 1 0 364.423 2.295 20 5 FEBDRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000569072305 568270600 /nfs/dbraw/zinc/27/06/00/568270600.db2.gz CJEXEXFKOXEWTB-CVSAEHQPSA-N 1 0 370.475 2.220 20 5 FEBDRO COc1ccc(CC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000569123351 568281937 /nfs/dbraw/zinc/28/19/37/568281937.db2.gz LANSQIYDDREMDW-KRWDZBQOSA-N 1 0 355.394 2.231 20 5 FEBDRO COc1ccc(CC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000569123353 568281950 /nfs/dbraw/zinc/28/19/50/568281950.db2.gz LANSQIYDDREMDW-QGZVFWFLSA-N 1 0 355.394 2.231 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569267142 568323446 /nfs/dbraw/zinc/32/34/46/568323446.db2.gz WIHJIEBZRASPCI-UHFFFAOYSA-N 1 0 370.475 2.267 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c(F)cccc2F)c1 ZINC000570179152 568459549 /nfs/dbraw/zinc/45/95/49/568459549.db2.gz WUVCUOAUKRIVCO-ZDUSSCGKSA-N 1 0 352.337 2.445 20 5 FEBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000556622065 674409122 /nfs/dbraw/zinc/40/91/22/674409122.db2.gz OAHYTEROWYIRQN-MRXNPFEDSA-N 1 0 351.447 2.189 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820420790 599664645 /nfs/dbraw/zinc/66/46/45/599664645.db2.gz XEVHKMXZSOAEBA-NSHDSACASA-N 1 0 367.369 2.064 20 5 FEBDRO Cn1nc(Br)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728084 674507503 /nfs/dbraw/zinc/50/75/03/674507503.db2.gz JRRAZBKMMZISHX-UHFFFAOYSA-N 1 0 354.208 2.056 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccco1 ZINC000821181276 606702879 /nfs/dbraw/zinc/70/28/79/606702879.db2.gz LDCIKPLJCSXXJP-GFCCVEGCSA-N 1 0 372.389 2.258 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820650232 607168737 /nfs/dbraw/zinc/16/87/37/607168737.db2.gz SCQLVLFKBPFRCW-CHWSQXEVSA-N 1 0 374.449 2.340 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000826498130 609340564 /nfs/dbraw/zinc/34/05/64/609340564.db2.gz IITHEHPUVIVTCK-UHFFFAOYSA-N 1 0 358.333 2.083 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811803440 674629442 /nfs/dbraw/zinc/62/94/42/674629442.db2.gz MLVOPYPJBMWHAJ-SNVBAGLBSA-N 1 0 354.363 2.432 20 5 FEBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000812255811 674659365 /nfs/dbraw/zinc/65/93/65/674659365.db2.gz LMLXZXJOIKDQRL-UHFFFAOYSA-N 1 0 368.415 2.060 20 5 FEBDRO Cc1nc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)sc1C ZINC000562996515 674832827 /nfs/dbraw/zinc/83/28/27/674832827.db2.gz KVGPFDPLDURKKN-AWEZNQCLSA-N 1 0 351.428 2.240 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1SC ZINC000563617101 674917531 /nfs/dbraw/zinc/91/75/31/674917531.db2.gz INLTYMHWDFMWCS-LLVKDONJSA-N 1 0 351.428 2.292 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1 ZINC000815288548 674938121 /nfs/dbraw/zinc/93/81/21/674938121.db2.gz ZOLLDISEZHSHON-ROUUACIJSA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(C)cc1[N+](=O)[O-] ZINC000563821449 674942699 /nfs/dbraw/zinc/94/26/99/674942699.db2.gz JKXBJZDVPMOEOR-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO CC(C)c1ccc(C(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000564198778 674982989 /nfs/dbraw/zinc/98/29/89/674982989.db2.gz BVYLMNJJDKUZKB-UHFFFAOYSA-N 1 0 350.463 2.332 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000564394621 675007547 /nfs/dbraw/zinc/00/75/47/675007547.db2.gz ZBZHIWZSWRCOQP-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO Cc1ncc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001048607709 675011642 /nfs/dbraw/zinc/01/16/42/675011642.db2.gz IOEHNFKJQMJWJD-RRCSTGOVSA-N 1 0 366.487 2.129 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000564845332 675067337 /nfs/dbraw/zinc/06/73/37/675067337.db2.gz UBQGBGUOUOVNDL-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1csc([C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000564873700 675070861 /nfs/dbraw/zinc/07/08/61/675070861.db2.gz RCKBMGKJPCZWMK-BXUZGUMPSA-N 1 0 351.428 2.493 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101569376 670768405 /nfs/dbraw/zinc/76/84/05/670768405.db2.gz MIVBWOVOUYGYID-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000565846792 675155517 /nfs/dbraw/zinc/15/55/17/675155517.db2.gz HSJPSGVHIKZEIL-UHFFFAOYSA-N 1 0 350.419 2.008 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000572356813 670992110 /nfs/dbraw/zinc/99/21/10/670992110.db2.gz WZSCZOHBHUITKI-HUUCEWRRSA-N 1 0 350.415 2.416 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000572365090 670993661 /nfs/dbraw/zinc/99/36/61/670993661.db2.gz ALGWQHVMPZGNRE-QPUJVOFHSA-N 1 0 363.748 2.129 20 5 FEBDRO CCOCCN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000574324271 671226905 /nfs/dbraw/zinc/22/69/05/671226905.db2.gz LCAXFYKEFDYZFB-UHFFFAOYSA-N 1 0 350.419 2.343 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000574655665 671265480 /nfs/dbraw/zinc/26/54/80/671265480.db2.gz QQDFQKYJBHYRFR-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575248218 671307699 /nfs/dbraw/zinc/30/76/99/671307699.db2.gz COUFWTWXDVARFZ-GOEBONIOSA-N 1 0 352.822 2.417 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000608800244 675904294 /nfs/dbraw/zinc/90/42/94/675904294.db2.gz CZUGZDMXNXYMPG-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1nn(CCC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000609346344 675919374 /nfs/dbraw/zinc/91/93/74/675919374.db2.gz CTWFMSIWZXOBMG-BETUJISGSA-N 1 0 351.451 2.177 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000609441064 675922238 /nfs/dbraw/zinc/92/22/38/675922238.db2.gz BWJGYRHRYSFNFW-MRXNPFEDSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000578063968 671637704 /nfs/dbraw/zinc/63/77/04/671637704.db2.gz LGLMZLMBGREBQR-CABCVRRESA-N 1 0 369.487 2.079 20 5 FEBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000578543053 671673150 /nfs/dbraw/zinc/67/31/50/671673150.db2.gz QYVHOMGCZKXTIO-UHFFFAOYSA-N 1 0 350.419 2.470 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853133 671765921 /nfs/dbraw/zinc/76/59/21/671765921.db2.gz DBSDWIGGUYYZMV-QWHCGFSZSA-N 1 0 352.410 2.099 20 5 FEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@@H](C)C[N@@H+]1C ZINC000579853132 671766009 /nfs/dbraw/zinc/76/60/09/671766009.db2.gz DBSDWIGGUYYZMV-OLZOCXBDSA-N 1 0 352.410 2.099 20 5 FEBDRO CN(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580791331 671833930 /nfs/dbraw/zinc/83/39/30/671833930.db2.gz KIEJQCRWSTVSKI-FUNVUKJBSA-N 1 0 353.444 2.060 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581164473 671868971 /nfs/dbraw/zinc/86/89/71/671868971.db2.gz NVLMYKRGGDFREH-CYBMUJFWSA-N 1 0 350.419 2.229 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261712 675962249 /nfs/dbraw/zinc/96/22/49/675962249.db2.gz ZJOZYAZKSCJUOO-STQMWFEESA-N 1 0 370.475 2.025 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)n1 ZINC000582158181 671973336 /nfs/dbraw/zinc/97/33/36/671973336.db2.gz ZFRPGXDTDNYSIQ-ZDUSSCGKSA-N 1 0 365.821 2.497 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000129194277 672058604 /nfs/dbraw/zinc/05/86/04/672058604.db2.gz VOQJGJOQOYINMB-UHFFFAOYSA-N 1 0 353.394 2.351 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000583173234 672070181 /nfs/dbraw/zinc/07/01/81/672070181.db2.gz YAMBGVSBXZMOHH-LBPRGKRZSA-N 1 0 362.167 2.060 20 5 FEBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000583806834 672128079 /nfs/dbraw/zinc/12/80/79/672128079.db2.gz PDFOJHAYCPFMSB-LLVKDONJSA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)(N2CCCCC2)CC1 ZINC000584099947 672155504 /nfs/dbraw/zinc/15/55/04/672155504.db2.gz WMHPUNAVDGCGJA-UHFFFAOYSA-N 1 0 351.426 2.491 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000159933397 672286924 /nfs/dbraw/zinc/28/69/24/672286924.db2.gz RLDATAHWYUVWNH-CQSZACIVSA-N 1 0 369.487 2.063 20 5 FEBDRO Nc1cc(NCC2([NH+]3CCSCC3)CCCC2)cc(CO)c1[N+](=O)[O-] ZINC000587197487 672441390 /nfs/dbraw/zinc/44/13/90/672441390.db2.gz YRYCMYVCFFZDRI-UHFFFAOYSA-N 1 0 366.487 2.443 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000590165410 672563023 /nfs/dbraw/zinc/56/30/23/672563023.db2.gz RVAOPKKDJWDKPV-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590925482 672632988 /nfs/dbraw/zinc/63/29/88/672632988.db2.gz GWJDPNKHOYRBBT-AWEZNQCLSA-N 1 0 350.419 2.005 20 5 FEBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591439690 672680961 /nfs/dbraw/zinc/68/09/61/672680961.db2.gz XXEFYBRHJMFCMO-GXSJLCMTSA-N 1 0 373.194 2.388 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000194214211 672752596 /nfs/dbraw/zinc/75/25/96/672752596.db2.gz GPIMMKGEOJBCAF-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390396 672796801 /nfs/dbraw/zinc/79/68/01/672796801.db2.gz IEACXPOQZARVLW-LSDHHAIUSA-N 1 0 367.471 2.304 20 5 FEBDRO CCS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237054127 672806111 /nfs/dbraw/zinc/80/61/11/672806111.db2.gz HQUVRGTVFVFKJR-UHFFFAOYSA-N 1 0 369.468 2.352 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000592544324 672812722 /nfs/dbraw/zinc/81/27/22/672812722.db2.gz BUDOYCXBEJBJSW-WCQYABFASA-N 1 0 351.403 2.202 20 5 FEBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000592545508 672813353 /nfs/dbraw/zinc/81/33/53/672813353.db2.gz VNKGPYMMNYOFHT-YGRLFVJLSA-N 1 0 370.247 2.486 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593062661 672870328 /nfs/dbraw/zinc/87/03/28/672870328.db2.gz QOVGCOZSLKHHBA-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262020842 672907769 /nfs/dbraw/zinc/90/77/69/672907769.db2.gz NFSGCJGSJSTCTN-AWEZNQCLSA-N 1 0 354.838 2.068 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593911579 673007487 /nfs/dbraw/zinc/00/74/87/673007487.db2.gz GYMYVGAPUJHMEJ-AXAPSJFSSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000593919643 673008634 /nfs/dbraw/zinc/00/86/34/673008634.db2.gz WJDRQDQOKVBWBM-LYRGGWFBSA-N 1 0 351.378 2.235 20 5 FEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594044370 673024985 /nfs/dbraw/zinc/02/49/85/673024985.db2.gz QTCIVGUGVWNPTM-CZUORRHYSA-N 1 0 351.403 2.479 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594101847 673031434 /nfs/dbraw/zinc/03/14/34/673031434.db2.gz BITTVYCDMMDEKU-WZRBSPASSA-N 1 0 355.822 2.472 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594483234 673087486 /nfs/dbraw/zinc/08/74/86/673087486.db2.gz DKKNWRFFNVFAHC-HOTGVXAUSA-N 1 0 353.444 2.031 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594483755 673087869 /nfs/dbraw/zinc/08/78/69/673087869.db2.gz PEBSZJHJPCASEI-JKSUJKDBSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484926 673088610 /nfs/dbraw/zinc/08/86/10/673088610.db2.gz YCUIECZGBCMNTJ-UONOGXRCSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594485005 673089005 /nfs/dbraw/zinc/08/90/05/673089005.db2.gz ZSVYZUUKXIISDF-LSDHHAIUSA-N 1 0 353.444 2.198 20 5 FEBDRO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC(C)(C)C ZINC000594517312 673095175 /nfs/dbraw/zinc/09/51/75/673095175.db2.gz AARHFUKDEOYGFH-LLVKDONJSA-N 1 0 352.387 2.433 20 5 FEBDRO COc1cc(CN[C@@H](C[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000594581145 673102221 /nfs/dbraw/zinc/10/22/21/673102221.db2.gz VFBSSOYORJAHEK-NSHDSACASA-N 1 0 373.278 2.227 20 5 FEBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])CC(C)C ZINC000594761258 673133140 /nfs/dbraw/zinc/13/31/40/673133140.db2.gz UYHAFNGLPXZWHY-ZDUSSCGKSA-N 1 0 358.464 2.025 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594801799 673147794 /nfs/dbraw/zinc/14/77/94/673147794.db2.gz SKAWDPBYUVWCEO-NSHDSACASA-N 1 0 361.851 2.399 20 5 FEBDRO CCS(=O)(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000595098609 673192708 /nfs/dbraw/zinc/19/27/08/673192708.db2.gz CDUUVLDPVUGASY-OAHLLOKOSA-N 1 0 352.456 2.473 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000424025266 673203287 /nfs/dbraw/zinc/20/32/87/673203287.db2.gz IMEQOKTXSREFRU-KRWDZBQOSA-N 1 0 365.455 2.191 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1C ZINC000595345402 673228469 /nfs/dbraw/zinc/22/84/69/673228469.db2.gz OBDMZQFRDGUHOE-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595344879 673228617 /nfs/dbraw/zinc/22/86/17/673228617.db2.gz JWQNZFUUVUGGOC-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000595409045 673245076 /nfs/dbraw/zinc/24/50/76/673245076.db2.gz JEWMLBBQKSFDGL-UHFFFAOYSA-N 1 0 367.471 2.136 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596085181 673357075 /nfs/dbraw/zinc/35/70/75/673357075.db2.gz CKYTXIFJSXPRGX-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO C[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596104464 673359024 /nfs/dbraw/zinc/35/90/24/673359024.db2.gz LFQWDJISHSBAKU-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO CN1CCC([NH+]2CCC(Nc3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596102799 673359093 /nfs/dbraw/zinc/35/90/93/673359093.db2.gz QXJKNLSCPHRMQO-UHFFFAOYSA-N 1 0 353.854 2.036 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000596167556 673364638 /nfs/dbraw/zinc/36/46/38/673364638.db2.gz KPQPTDFFPGKLGG-CABZTGNLSA-N 1 0 357.794 2.166 20 5 FEBDRO CC[NH+](CC)CCN(CC(C)C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596170624 673364958 /nfs/dbraw/zinc/36/49/58/673364958.db2.gz WWMNUQXIGFUSFW-UHFFFAOYSA-N 1 0 372.491 2.046 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596176197 673365215 /nfs/dbraw/zinc/36/52/15/673365215.db2.gz AOLQEOIAKQEHQA-UHFFFAOYSA-N 1 0 351.451 2.147 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[C@H](C)[NH+](C)C ZINC000596428667 673384679 /nfs/dbraw/zinc/38/46/79/673384679.db2.gz GIJPODOZIZJTBP-LBPRGKRZSA-N 1 0 358.464 2.035 20 5 FEBDRO Cc1c(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000596634677 673399212 /nfs/dbraw/zinc/39/92/12/673399212.db2.gz BMCVVEDQWRVRJO-ZDUSSCGKSA-N 1 0 351.451 2.297 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000537924058 673414070 /nfs/dbraw/zinc/41/40/70/673414070.db2.gz MHBAFIVCLRMHQQ-DZGCQCFKSA-N 1 0 353.444 2.111 20 5 FEBDRO Cc1cc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596825788 673416983 /nfs/dbraw/zinc/41/69/83/673416983.db2.gz ZNFRKUAVZZCPIZ-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1CN1CCSC3(CCOCC3)C1)OCCO2 ZINC000613743093 676144571 /nfs/dbraw/zinc/14/45/71/676144571.db2.gz ADJJVDSCEYBGLF-UHFFFAOYSA-N 1 0 366.439 2.464 20 5 FEBDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073655 673472410 /nfs/dbraw/zinc/47/24/10/673472410.db2.gz VYQJWDUSRUWMTL-ZIAGYGMSSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC12CC[NH2+]CC2 ZINC000597442984 673478156 /nfs/dbraw/zinc/47/81/56/673478156.db2.gz ZRQCMFLFMFEITK-CQSZACIVSA-N 1 0 352.822 2.232 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539417008 673489797 /nfs/dbraw/zinc/48/97/97/673489797.db2.gz XZNHABHBRUWDLN-UHFFFAOYSA-N 1 0 355.460 2.247 20 5 FEBDRO CCc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597943363 673522182 /nfs/dbraw/zinc/52/21/82/673522182.db2.gz ZNMATRIBAVJNHE-AWEZNQCLSA-N 1 0 350.463 2.159 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598540770 673580720 /nfs/dbraw/zinc/58/07/20/673580720.db2.gz GCNLCXOWAXTQHO-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000598599026 673587799 /nfs/dbraw/zinc/58/77/99/673587799.db2.gz XEHXKCMLKZPMPY-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000598716854 673602870 /nfs/dbraw/zinc/60/28/70/673602870.db2.gz TZVPPKGGEDMJMJ-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CN1CC[NH+](CC2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000599104868 673633750 /nfs/dbraw/zinc/63/37/50/673633750.db2.gz GHPGCEIWBMUJIU-UHFFFAOYSA-N 1 0 358.364 2.297 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000543423370 673646461 /nfs/dbraw/zinc/64/64/61/673646461.db2.gz STXFDHZFKXLISE-HZSPNIEDSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543644507 673658545 /nfs/dbraw/zinc/65/85/45/673658545.db2.gz LIUHWPSLPDQHOT-ZDUSSCGKSA-N 1 0 354.382 2.212 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414946 673672771 /nfs/dbraw/zinc/67/27/71/673672771.db2.gz KSUANNAFPVYUFR-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000599416906 673672970 /nfs/dbraw/zinc/67/29/70/673672970.db2.gz YNLIALATRLASIJ-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599496858 673684776 /nfs/dbraw/zinc/68/47/76/673684776.db2.gz LISYXGKHLVWXSO-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599542968 673689863 /nfs/dbraw/zinc/68/98/63/673689863.db2.gz ILIXFFOAYFPBTL-INIZCTEOSA-N 1 0 350.415 2.227 20 5 FEBDRO CC1(C)CCC[C@@](CO)([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599597748 673695789 /nfs/dbraw/zinc/69/57/89/673695789.db2.gz XQDQYQDKLQCPPA-RDTXWAMCSA-N 1 0 352.431 2.255 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000544628027 673721826 /nfs/dbraw/zinc/72/18/26/673721826.db2.gz TVYUHJBUZVJZMO-CQSZACIVSA-N 1 0 366.487 2.071 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000544661441 673724344 /nfs/dbraw/zinc/72/43/44/673724344.db2.gz RUDDIRYZSUBBLK-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743393318 673758172 /nfs/dbraw/zinc/75/81/72/673758172.db2.gz NIGKRYRJUDTGJY-NSHDSACASA-N 1 0 360.256 2.175 20 5 FEBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600535603 673777264 /nfs/dbraw/zinc/77/72/64/673777264.db2.gz QSZUWUNGCMBZSP-CQSZACIVSA-N 1 0 367.471 2.283 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000546776436 673817539 /nfs/dbraw/zinc/81/75/39/673817539.db2.gz FNKUMNSTYORHAG-ZFWWWQNUSA-N 1 0 355.460 2.229 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601108369 673826541 /nfs/dbraw/zinc/82/65/41/673826541.db2.gz FLHLFEHLAVGNPV-ZIAGYGMSSA-N 1 0 351.426 2.124 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601363241 673848927 /nfs/dbraw/zinc/84/89/27/673848927.db2.gz VVDKXPFTFSHMKX-CYBMUJFWSA-N 1 0 373.500 2.317 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000601427706 673860417 /nfs/dbraw/zinc/86/04/17/673860417.db2.gz FAKTUMRTKVFAJI-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000602508998 673907000 /nfs/dbraw/zinc/90/70/00/673907000.db2.gz FFWMOKFVYKZNRD-UWVGGRQHSA-N 1 0 356.220 2.414 20 5 FEBDRO C[C@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000602551760 673908064 /nfs/dbraw/zinc/90/80/64/673908064.db2.gz DYTFVXBRFPTLNA-GXSJLCMTSA-N 1 0 356.220 2.157 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602582609 673908243 /nfs/dbraw/zinc/90/82/43/673908243.db2.gz OLRDMDOVVKYSSV-AWEZNQCLSA-N 1 0 367.833 2.479 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@]2(O)CCSC2)cc1Br ZINC000602573796 673908389 /nfs/dbraw/zinc/90/83/89/673908389.db2.gz UYWZLSHYEYAFCZ-SNVBAGLBSA-N 1 0 353.263 2.376 20 5 FEBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769050 673910761 /nfs/dbraw/zinc/91/07/61/673910761.db2.gz LYBNVVQYBVDOHQ-HIFRSBDPSA-N 1 0 351.451 2.117 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602876097 673912380 /nfs/dbraw/zinc/91/23/80/673912380.db2.gz DNDWFFOVOGUSIL-OAHLLOKOSA-N 1 0 372.263 2.246 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000603052881 673916266 /nfs/dbraw/zinc/91/62/66/673916266.db2.gz OQPSAUZZJBUBQO-ZDUSSCGKSA-N 1 0 367.471 2.283 20 5 FEBDRO Nc1nccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000548711402 673989001 /nfs/dbraw/zinc/98/90/01/673989001.db2.gz KXFBKHDPSAFXAP-GFCCVEGCSA-N 1 0 361.427 2.200 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566343662 675206704 /nfs/dbraw/zinc/20/67/04/675206704.db2.gz XVLKSIKTNUWTSN-LBPRGKRZSA-N 1 0 365.821 2.057 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000819197841 675268936 /nfs/dbraw/zinc/26/89/36/675268936.db2.gz MNKWYYQHSSHWOA-MPTQWLOMSA-N 1 0 370.496 2.304 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000567582520 675303890 /nfs/dbraw/zinc/30/38/90/675303890.db2.gz NFVIFXNLYVYWIV-BLLLJJGKSA-N 1 0 352.341 2.098 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000824110808 675584520 /nfs/dbraw/zinc/58/45/20/675584520.db2.gz BNJJKYVMIPOCFU-AOOOYVTPSA-N 1 0 369.219 2.109 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000824926479 675629221 /nfs/dbraw/zinc/62/92/21/675629221.db2.gz OYPKKFLEUCRCQD-TXEJJXNPSA-N 1 0 372.263 2.244 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827515408 675761467 /nfs/dbraw/zinc/76/14/67/675761467.db2.gz FWBMGNGAIXUVNJ-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO COc1ccc(CNC(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000604105006 675803667 /nfs/dbraw/zinc/80/36/67/675803667.db2.gz HPOYJCJAHYAGDA-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000829114152 675864946 /nfs/dbraw/zinc/86/49/46/675864946.db2.gz WCKCDLVDEMHTBQ-YHWZYXNKSA-N 1 0 350.375 2.341 20 5 FEBDRO CN(CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000618984023 676358673 /nfs/dbraw/zinc/35/86/73/676358673.db2.gz QPXBDVOUNPAELW-OAHLLOKOSA-N 1 0 355.460 2.188 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619486215 676380355 /nfs/dbraw/zinc/38/03/55/676380355.db2.gz ZJAQNNQNPCQSQZ-OLZOCXBDSA-N 1 0 371.459 2.097 20 5 FEBDRO CN1CCC[C@@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150772 677027709 /nfs/dbraw/zinc/02/77/09/677027709.db2.gz NFVIVXVSIWNVHQ-MRVPVSSYSA-N 1 0 368.242 2.274 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830185010 677029250 /nfs/dbraw/zinc/02/92/50/677029250.db2.gz UDSHSUXDEOPUEW-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000760555290 680692479 /nfs/dbraw/zinc/69/24/79/680692479.db2.gz SCXHMDIMESHUMC-GFCCVEGCSA-N 1 0 357.357 2.355 20 5 FEBDRO CC[N@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000831076067 679917854 /nfs/dbraw/zinc/91/78/54/679917854.db2.gz XKEZVGADWRMYJO-CYBMUJFWSA-N 1 0 363.336 2.019 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217666 679948921 /nfs/dbraw/zinc/94/89/21/679948921.db2.gz FWSXMKLROQKCDW-MRRJBJDNSA-N 1 0 367.833 2.397 20 5 FEBDRO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(C)C ZINC000874095637 685294095 /nfs/dbraw/zinc/29/40/95/685294095.db2.gz VOUFCLDHBNQMDQ-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832761074 680173768 /nfs/dbraw/zinc/17/37/68/680173768.db2.gz HODOZFSENQMJGE-GFCCVEGCSA-N 1 0 361.851 2.351 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)F ZINC000834832785 680274767 /nfs/dbraw/zinc/27/47/67/680274767.db2.gz ZCBQRTDUGZNCTD-ZDUSSCGKSA-N 1 0 356.373 2.297 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650548 680317614 /nfs/dbraw/zinc/31/76/14/680317614.db2.gz WAXSIQKPZOMHAH-UYUMYWFVSA-N 1 0 355.797 2.129 20 5 FEBDRO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC000997776482 680365900 /nfs/dbraw/zinc/36/59/00/680365900.db2.gz OLAKPIHTDNPBRM-HZPDHXFCSA-N 1 0 351.472 2.358 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000836789882 680514331 /nfs/dbraw/zinc/51/43/31/680514331.db2.gz CYCFSSNAGZMACC-JKSUJKDBSA-N 1 0 367.833 2.492 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000757248911 680520081 /nfs/dbraw/zinc/52/00/81/680520081.db2.gz SFQBMEBMZXMBNW-UHFFFAOYSA-N 1 0 352.822 2.485 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841856774 680914894 /nfs/dbraw/zinc/91/48/94/680914894.db2.gz AVXHGDUQKROHQS-NTZNESFSSA-N 1 0 352.822 2.436 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000842483119 680950004 /nfs/dbraw/zinc/95/00/04/680950004.db2.gz ZFKOFPKMVRNWGT-KGLIPLIRSA-N 1 0 371.434 2.338 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000768808438 680959167 /nfs/dbraw/zinc/95/91/67/680959167.db2.gz SDJFTJDECINPBF-UHFFFAOYSA-N 1 0 359.473 2.295 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000842849581 680971150 /nfs/dbraw/zinc/97/11/50/680971150.db2.gz BIIYAVIALNRCPF-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000842871678 680972489 /nfs/dbraw/zinc/97/24/89/680972489.db2.gz QYPNYSVTZYDKCJ-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000843064120 680985371 /nfs/dbraw/zinc/98/53/71/680985371.db2.gz VXZGFDQWGNEDHY-SUMWQHHRSA-N 1 0 364.423 2.080 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000843065270 680985494 /nfs/dbraw/zinc/98/54/94/680985494.db2.gz KIVYTCAYCKWHBV-GUYCJALGSA-N 1 0 366.801 2.311 20 5 FEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843478724 681006172 /nfs/dbraw/zinc/00/61/72/681006172.db2.gz JKHJHKWTXBIXDX-LLVKDONJSA-N 1 0 372.194 2.368 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000843867504 681022859 /nfs/dbraw/zinc/02/28/59/681022859.db2.gz KZICMEIJLGLNOZ-LBPRGKRZSA-N 1 0 353.394 2.273 20 5 FEBDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000771809116 681071219 /nfs/dbraw/zinc/07/12/19/681071219.db2.gz QRDIPYSUYASROI-ZDUSSCGKSA-N 1 0 362.411 2.017 20 5 FEBDRO O=C(C[NH+]1CCCC1)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845486534 681131731 /nfs/dbraw/zinc/13/17/31/681131731.db2.gz QOCWUJQKFRYQQQ-UHFFFAOYSA-N 1 0 370.812 2.132 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NOC2CC[NH+](C)CC2)cc1SC ZINC000773552779 681147867 /nfs/dbraw/zinc/14/78/67/681147867.db2.gz UBOLVGCMSDWYFB-UHFFFAOYSA-N 1 0 355.416 2.081 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932150181 681184333 /nfs/dbraw/zinc/18/43/33/681184333.db2.gz OFBVLGGGYPVRLX-ZDUSSCGKSA-N 1 0 369.849 2.408 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000912714883 685424114 /nfs/dbraw/zinc/42/41/14/685424114.db2.gz IOCUPRLPKDTTEY-GFCCVEGCSA-N 1 0 371.796 2.059 20 5 FEBDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928618 681330044 /nfs/dbraw/zinc/33/00/44/681330044.db2.gz PRSCDATVXWBKLG-HOCLYGCPSA-N 1 0 350.444 2.311 20 5 FEBDRO CC[N@H+](CCC(=O)NC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000933869522 681477039 /nfs/dbraw/zinc/47/70/39/681477039.db2.gz XNUHSNRYHKOIAZ-UHFFFAOYSA-N 1 0 361.345 2.163 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC[N@H+](C)CC1 ZINC000933996110 681495203 /nfs/dbraw/zinc/49/52/03/681495203.db2.gz LBZIPBXNJWVMMM-UHFFFAOYSA-N 1 0 350.463 2.061 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800351 681531528 /nfs/dbraw/zinc/53/15/28/681531528.db2.gz PCBYMXDNZZFWPR-QWRGUYRKSA-N 1 0 363.443 2.450 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916903 685466660 /nfs/dbraw/zinc/46/66/60/685466660.db2.gz SRYNNKYTZJQOMR-CYBMUJFWSA-N 1 0 353.806 2.324 20 5 FEBDRO O=C(CC[NH2+]C[C@]12OCCC[C@H]1C2(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000849330232 681687284 /nfs/dbraw/zinc/68/72/84/681687284.db2.gz MIEYEDSFXQYPFY-HIFRSBDPSA-N 1 0 355.341 2.327 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913276241 685474976 /nfs/dbraw/zinc/47/49/76/685474976.db2.gz YBFRKBVOZHJNPW-HZPDHXFCSA-N 1 0 352.822 2.244 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1([NH+](C)C)CCC1 ZINC000782393459 682037404 /nfs/dbraw/zinc/03/74/04/682037404.db2.gz PVBIQGLXRTXJFG-UHFFFAOYSA-N 1 0 352.347 2.186 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917656177 685533576 /nfs/dbraw/zinc/53/35/76/685533576.db2.gz XOSXWZVGGJKKOP-VXGBXAGGSA-N 1 0 373.862 2.462 20 5 FEBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351366 682265110 /nfs/dbraw/zinc/26/51/10/682265110.db2.gz MZPJBYCLKISCNU-DFBGVHRSSA-N 1 0 353.375 2.159 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852853099 682350453 /nfs/dbraw/zinc/35/04/53/682350453.db2.gz ROXMYIXFUKEGCE-LBPRGKRZSA-N 1 0 351.712 2.406 20 5 FEBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853131591 682380319 /nfs/dbraw/zinc/38/03/19/682380319.db2.gz RCSSCDDDZRFOIP-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786787327 682405305 /nfs/dbraw/zinc/40/53/05/682405305.db2.gz CBEBJFZSQWQKMV-CQSZACIVSA-N 1 0 367.471 2.166 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+]2CCC1CC2 ZINC000787522929 682462188 /nfs/dbraw/zinc/46/21/88/682462188.db2.gz GBGCSYCQAHTYOM-UHFFFAOYSA-N 1 0 372.194 2.417 20 5 FEBDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563062 682539384 /nfs/dbraw/zinc/53/93/84/682539384.db2.gz JZULKGPTJVHHLZ-GUYCJALGSA-N 1 0 366.487 2.036 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639582 682574068 /nfs/dbraw/zinc/57/40/68/682574068.db2.gz COMLDTARUGXDSK-GJZGRUSLSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639589 682574121 /nfs/dbraw/zinc/57/41/21/682574121.db2.gz COMLDTARUGXDSK-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000854740008 682588129 /nfs/dbraw/zinc/58/81/29/682588129.db2.gz ZGMACXLVQYFPHP-QGZVFWFLSA-N 1 0 351.378 2.057 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000855898565 682723289 /nfs/dbraw/zinc/72/32/89/682723289.db2.gz PZFZHUQGTAIILO-ZDUSSCGKSA-N 1 0 353.394 2.349 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857235335 682867521 /nfs/dbraw/zinc/86/75/21/682867521.db2.gz QNUURXHEXAUPPA-HZMBPMFUSA-N 1 0 359.835 2.059 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000857766406 682911054 /nfs/dbraw/zinc/91/10/54/682911054.db2.gz MXTNZKAHQIJJHE-UHFFFAOYSA-N 1 0 357.357 2.415 20 5 FEBDRO C[C@@H](C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096257 683201431 /nfs/dbraw/zinc/20/14/31/683201431.db2.gz VVADICQQQRBVAV-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO C[S@@](=O)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000798003424 683301654 /nfs/dbraw/zinc/30/16/54/683301654.db2.gz DCXDFBPBZKJUEO-XMMPIXPASA-N 1 0 351.472 2.454 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000920704670 683362170 /nfs/dbraw/zinc/36/21/70/683362170.db2.gz UZKDREGZKJNCGK-ZDUSSCGKSA-N 1 0 370.427 2.030 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928100793 683391467 /nfs/dbraw/zinc/39/14/67/683391467.db2.gz ZPHPTTFULYVRAV-HOCLYGCPSA-N 1 0 364.471 2.093 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347726 683394237 /nfs/dbraw/zinc/39/42/37/683394237.db2.gz LLBCLLOYGWXQHN-BTJLNZGRSA-N 1 0 354.378 2.490 20 5 FEBDRO Cc1nn(CCC(=O)OCC23CCC[NH+](CCC2)C3)c(C)c1[N+](=O)[O-] ZINC000861359009 683398653 /nfs/dbraw/zinc/39/86/53/683398653.db2.gz RFKBDZQQPSFKIM-UHFFFAOYSA-N 1 0 350.419 2.217 20 5 FEBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713520 683459989 /nfs/dbraw/zinc/45/99/89/683459989.db2.gz DBFXWKFYAVMWHH-QWRGUYRKSA-N 1 0 374.224 2.183 20 5 FEBDRO CCO[C@@H](CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000921839424 683586884 /nfs/dbraw/zinc/58/68/84/683586884.db2.gz YDXMYTITLBYFKD-AWEZNQCLSA-N 1 0 372.853 2.057 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+](CCCCO)CC2)c1 ZINC000930007880 683668717 /nfs/dbraw/zinc/66/87/17/683668717.db2.gz UPONNXXSCHMKER-UHFFFAOYSA-N 1 0 372.263 2.247 20 5 FEBDRO CS(=O)(=O)c1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922681242 683765755 /nfs/dbraw/zinc/76/57/55/683765755.db2.gz ZNAYXMUZZGCQDQ-UHFFFAOYSA-N 1 0 352.387 2.470 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865810924 684031501 /nfs/dbraw/zinc/03/15/01/684031501.db2.gz LCUQSZLYUXQQDA-JTQLQIEISA-N 1 0 358.236 2.356 20 5 FEBDRO CN1CC[C@@H]([NH+]2CCC(Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1=O ZINC000865886815 684040941 /nfs/dbraw/zinc/04/09/41/684040941.db2.gz MWSWFUKNJSGGCJ-OAHLLOKOSA-N 1 0 352.822 2.355 20 5 FEBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000866061904 684067396 /nfs/dbraw/zinc/06/73/96/684067396.db2.gz XKWOAICALLSODN-UHFFFAOYSA-N 1 0 355.460 2.309 20 5 FEBDRO COc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c([N+](=O)[O-])cc1F ZINC000866257810 684086565 /nfs/dbraw/zinc/08/65/65/684086565.db2.gz MAYAMUDCWXWNAA-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866414547 684100675 /nfs/dbraw/zinc/10/06/75/684100675.db2.gz PITHJBRDXFILPM-ZFWWWQNUSA-N 1 0 351.447 2.489 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1F ZINC000867063799 684204549 /nfs/dbraw/zinc/20/45/49/684204549.db2.gz AOFXLKKKYUCAKF-GFCCVEGCSA-N 1 0 373.450 2.393 20 5 FEBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C[C@H]21 ZINC000931278228 684253340 /nfs/dbraw/zinc/25/33/40/684253340.db2.gz SZSXJPXOFLCOCY-JYAVWHMHSA-N 1 0 363.805 2.290 20 5 FEBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931607890 684312478 /nfs/dbraw/zinc/31/24/78/684312478.db2.gz OPLGLZSNQRJBFX-GXTWGEPZSA-N 1 0 354.407 2.435 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923732571 684341913 /nfs/dbraw/zinc/34/19/13/684341913.db2.gz VORPMCSTMRAHFQ-CQSZACIVSA-N 1 0 359.835 2.155 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000867812316 684397074 /nfs/dbraw/zinc/39/70/74/684397074.db2.gz JORMSFLECSCYMW-WCQYABFASA-N 1 0 373.862 2.271 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1SC ZINC000868010216 684438806 /nfs/dbraw/zinc/43/88/06/684438806.db2.gz SWEIHOCSHXTNKG-JTQLQIEISA-N 1 0 353.444 2.443 20 5 FEBDRO O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000924801537 684494458 /nfs/dbraw/zinc/49/44/58/684494458.db2.gz GCUYMTBESYYFLY-CQSZACIVSA-N 1 0 366.805 2.155 20 5 FEBDRO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000868513927 684504366 /nfs/dbraw/zinc/50/43/66/684504366.db2.gz RTCYGTFLGXIUJN-JTQLQIEISA-N 1 0 358.236 2.214 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868567633 684512528 /nfs/dbraw/zinc/51/25/28/684512528.db2.gz VXCSENRPEOHZJY-MFKMUULPSA-N 1 0 370.247 2.451 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868567635 684512567 /nfs/dbraw/zinc/51/25/67/684512567.db2.gz VXCSENRPEOHZJY-ZWNOBZJWSA-N 1 0 370.247 2.451 20 5 FEBDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030467 684916268 /nfs/dbraw/zinc/91/62/68/684916268.db2.gz FWRAULMKAZRMJC-NSHDSACASA-N 1 0 359.423 2.056 20 5 FEBDRO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047713 684916998 /nfs/dbraw/zinc/91/69/98/684916998.db2.gz DARFZIONBFOUTN-NSHDSACASA-N 1 0 371.434 2.341 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC12CCOCC2 ZINC000872229231 684929594 /nfs/dbraw/zinc/92/95/94/684929594.db2.gz NMPUXCVPHKNENI-HUUCEWRRSA-N 1 0 350.415 2.131 20 5 FEBDRO C[C@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1F ZINC000877041699 686316381 /nfs/dbraw/zinc/31/63/81/686316381.db2.gz ZSRUUTQURFVMIB-PPUFBPAQSA-N 1 0 352.341 2.270 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CSCCS3)CC2)cn1 ZINC000877086491 686324101 /nfs/dbraw/zinc/32/41/01/686324101.db2.gz OMVFGAHXOPOKHA-AWEZNQCLSA-N 1 0 354.501 2.397 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877357616 686361665 /nfs/dbraw/zinc/36/16/65/686361665.db2.gz MDNUQPCKNZZECV-NXEZZACHSA-N 1 0 361.320 2.203 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880586379 687063055 /nfs/dbraw/zinc/06/30/55/687063055.db2.gz OYZUOAVMOOHQEE-INIZCTEOSA-N 1 0 350.415 2.357 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000881936264 687265374 /nfs/dbraw/zinc/26/53/74/687265374.db2.gz ZFKSJGJXMIXVBJ-GHMZBOCLSA-N 1 0 361.851 2.318 20 5 FEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000884355997 687855245 /nfs/dbraw/zinc/85/52/45/687855245.db2.gz VPGCSOFTMOOZRE-ZJUUUORDSA-N 1 0 360.183 2.352 20 5 FEBDRO CC[NH2+]CCCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000891966830 689132841 /nfs/dbraw/zinc/13/28/41/689132841.db2.gz ZBPQZVFPFUCNBE-UHFFFAOYSA-N 1 0 359.224 2.156 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]CC1 ZINC000892081605 689148190 /nfs/dbraw/zinc/14/81/90/689148190.db2.gz BVNXSTVIXOJQOH-GFCCVEGCSA-N 1 0 371.235 2.299 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892090116 689148989 /nfs/dbraw/zinc/14/89/89/689148989.db2.gz DEPKWXBVFPNFQD-JOYOIKCWSA-N 1 0 371.235 2.155 20 5 FEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CC[NH+](CCCO)CC1 ZINC000892165275 689159849 /nfs/dbraw/zinc/15/98/49/689159849.db2.gz RNFGTQFRDCWUBN-UHFFFAOYSA-N 1 0 350.806 2.301 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000893304072 689328635 /nfs/dbraw/zinc/32/86/35/689328635.db2.gz KBCNSJMMSCVRPL-UKRRQHHQSA-N 1 0 374.846 2.074 20 5 FEBDRO C[C@@H]1OC[C@]2(CC[C@@H](C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)O2)[C@H]1C ZINC000895819894 689775672 /nfs/dbraw/zinc/77/56/72/689775672.db2.gz LKSLTACWRFERFD-IIRDWPQTSA-N 1 0 350.419 2.057 20 5 FEBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896840379 689937796 /nfs/dbraw/zinc/93/77/96/689937796.db2.gz RHJGSEKQLGKKNC-NSHDSACASA-N 1 0 363.336 2.425 20 5 FEBDRO CN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@H+](C)CC1 ZINC000897095683 689974585 /nfs/dbraw/zinc/97/45/85/689974585.db2.gz VIMJXUGGLOPNQL-UHFFFAOYSA-N 1 0 361.471 2.402 20 5 FEBDRO CC[NH+]1CCC(NC(=O)COc2cc(F)c([N+](=O)[O-])cc2Cl)CC1 ZINC000902396079 690763172 /nfs/dbraw/zinc/76/31/72/690763172.db2.gz GMWOGQFZAPXCCS-UHFFFAOYSA-N 1 0 359.785 2.367 20 5 FEBDRO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000903577844 690927540 /nfs/dbraw/zinc/92/75/40/690927540.db2.gz XGGGMTUMXZHUIK-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO CN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903877462 690982539 /nfs/dbraw/zinc/98/25/39/690982539.db2.gz ALKCFQOQVRYWQA-AWEZNQCLSA-N 1 0 364.837 2.396 20 5 FEBDRO COc1cc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903982799 690992124 /nfs/dbraw/zinc/99/21/24/690992124.db2.gz VVMFDISZVAFTLU-MNOVXSKESA-N 1 0 363.336 2.324 20 5 FEBDRO COc1cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000903986167 690992582 /nfs/dbraw/zinc/99/25/82/690992582.db2.gz HDHYDTDQWGKHKJ-CQSZACIVSA-N 1 0 359.373 2.416 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c([N+](=O)[O-])s1 ZINC000905356055 691107830 /nfs/dbraw/zinc/10/78/30/691107830.db2.gz KNUSBKVXEJMUHW-ZDUSSCGKSA-N 1 0 373.500 2.363 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852756 691183312 /nfs/dbraw/zinc/18/33/12/691183312.db2.gz NDMHQESPGRXWPN-APHBMKBZSA-N 1 0 364.471 2.091 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Br)C[NH+](C)C ZINC000906373399 691259433 /nfs/dbraw/zinc/25/94/33/691259433.db2.gz TYRREHYMLBPAQJ-NSHDSACASA-N 1 0 374.235 2.054 20 5 FEBDRO C[NH+]1CCC(CCO)(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000907237696 691429587 /nfs/dbraw/zinc/42/95/87/691429587.db2.gz KQHDCLJRGJMCIT-UHFFFAOYSA-N 1 0 369.849 2.144 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000907519628 691508412 /nfs/dbraw/zinc/50/84/12/691508412.db2.gz QRTWBIGFMCIOSB-STQMWFEESA-N 1 0 369.849 2.094 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000908601892 691703874 /nfs/dbraw/zinc/70/38/74/691703874.db2.gz LNENSSUELBNOHU-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626979 719054414 /nfs/dbraw/zinc/05/44/14/719054414.db2.gz SSRHCYMPRRFRHS-WMZOPIPTSA-N 1 0 354.410 2.329 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813581 720088733 /nfs/dbraw/zinc/08/87/33/720088733.db2.gz TYCSHDPPJKJERR-APWZRJJASA-N 1 0 360.458 2.483 20 5 FEBDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1N)[C@@H]2C ZINC001164858144 720997080 /nfs/dbraw/zinc/99/70/80/720997080.db2.gz IBBFSQWLYGUKDR-GFCCVEGCSA-N 1 0 359.434 2.190 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164930997 721889052 /nfs/dbraw/zinc/88/90/52/721889052.db2.gz DYLNFQHOSTXXTN-MSOLQXFVSA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](CCc4ccccn4)CC3)c21 ZINC001165055663 722019234 /nfs/dbraw/zinc/01/92/34/722019234.db2.gz SBPVHQPIJDATJC-UHFFFAOYSA-N 1 0 364.409 2.298 20 5 FEBDRO COc1cccc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1[N+](=O)[O-] ZINC000490020503 860261874 /nfs/dbraw/zinc/26/18/74/860261874.db2.gz NDMPLWUBRHRREV-UHFFFAOYSA-N 1 0 359.386 2.319 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032247116 539931874 /nfs/dbraw/zinc/93/18/74/539931874.db2.gz XOEWDIAMCSHEME-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041362404 540017939 /nfs/dbraw/zinc/01/79/39/540017939.db2.gz KSCJWHJCTWYJIW-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000041427947 540021250 /nfs/dbraw/zinc/02/12/50/540021250.db2.gz BUKCOFDFSCBQNR-AWEZNQCLSA-N 1 0 351.432 2.052 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000041823302 540034917 /nfs/dbraw/zinc/03/49/17/540034917.db2.gz UYGINODUFVXLRX-CQSZACIVSA-N 1 0 360.414 2.163 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000045026699 540146570 /nfs/dbraw/zinc/14/65/70/540146570.db2.gz CTSYPQSVGVABNC-UHFFFAOYSA-N 1 0 364.402 2.368 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000047032400 540286432 /nfs/dbraw/zinc/28/64/32/540286432.db2.gz FOJWGRLBGDSJJN-OAHLLOKOSA-N 1 0 363.439 2.046 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000047922792 540334660 /nfs/dbraw/zinc/33/46/60/540334660.db2.gz MGWKLCOSWKIUGK-LBPRGKRZSA-N 1 0 373.356 2.275 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052247561 540460175 /nfs/dbraw/zinc/46/01/75/540460175.db2.gz KUTUNPVTBQHOQM-CYBMUJFWSA-N 1 0 370.475 2.166 20 5 FEBDRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000052849033 540493423 /nfs/dbraw/zinc/49/34/23/540493423.db2.gz LKIDXBFUMRTPMX-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000053160697 540515188 /nfs/dbraw/zinc/51/51/88/540515188.db2.gz DONWQQFUTYDJDY-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000053807334 540554978 /nfs/dbraw/zinc/55/49/78/540554978.db2.gz GRIONNURDLEZEA-ZDUSSCGKSA-N 1 0 357.414 2.209 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053887336 540558512 /nfs/dbraw/zinc/55/85/12/540558512.db2.gz ZNGKZWMXSRDJGQ-UHFFFAOYSA-N 1 0 373.356 2.421 20 5 FEBDRO C[N@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000054265602 540579229 /nfs/dbraw/zinc/57/92/29/540579229.db2.gz RYRRLTSEUBARJQ-UHFFFAOYSA-N 1 0 353.382 2.333 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000056113560 540703551 /nfs/dbraw/zinc/70/35/51/540703551.db2.gz PZOKYSTUPDSCIJ-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000057039807 540764595 /nfs/dbraw/zinc/76/45/95/540764595.db2.gz HKEWHONQBHRTCA-OAHLLOKOSA-N 1 0 363.462 2.428 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000062229455 541145749 /nfs/dbraw/zinc/14/57/49/541145749.db2.gz VUKXZNNDCYWFBG-QGZVFWFLSA-N 1 0 371.441 2.210 20 5 FEBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065037842 541224129 /nfs/dbraw/zinc/22/41/29/541224129.db2.gz PVNJKCNPBOEBBB-UHFFFAOYSA-N 1 0 353.444 2.372 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000066096045 541281410 /nfs/dbraw/zinc/28/14/10/541281410.db2.gz VWPUYTSCLKFGHE-UHFFFAOYSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000065780226 541260748 /nfs/dbraw/zinc/26/07/48/541260748.db2.gz JVULLORXDSPRNK-HNNXBMFYSA-N 1 0 365.459 2.442 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCCCC1 ZINC000066271547 541296775 /nfs/dbraw/zinc/29/67/75/541296775.db2.gz FBFFHILJWDTOKO-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145816 541424057 /nfs/dbraw/zinc/42/40/57/541424057.db2.gz IACPMTXSLCPGIM-UONOGXRCSA-N 1 0 372.429 2.026 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000067286004 541440670 /nfs/dbraw/zinc/44/06/70/541440670.db2.gz FLGSDWNXOXRFNS-GOSISDBHSA-N 1 0 372.425 2.434 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000067265296 541436760 /nfs/dbraw/zinc/43/67/60/541436760.db2.gz RVURALUCVXVUSE-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628397 541492486 /nfs/dbraw/zinc/49/24/86/541492486.db2.gz QVXHNOCNMVKCBI-PBHICJAKSA-N 1 0 364.446 2.048 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068210673 541563483 /nfs/dbraw/zinc/56/34/83/541563483.db2.gz LBJFXEBFWLIIOA-ZIAGYGMSSA-N 1 0 351.451 2.054 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000068233363 541566589 /nfs/dbraw/zinc/56/65/89/541566589.db2.gz IYKQPUCZXSLUAW-UHFFFAOYSA-N 1 0 363.414 2.024 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000068346388 541579797 /nfs/dbraw/zinc/57/97/97/541579797.db2.gz YJUWVXJWITYYDZ-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[N@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000069082930 541655251 /nfs/dbraw/zinc/65/52/51/541655251.db2.gz PMSVOEGMCMEUQJ-UHFFFAOYSA-N 1 0 372.425 2.405 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069074840 541654357 /nfs/dbraw/zinc/65/43/57/541654357.db2.gz ZKYMNYDILKULBT-AWEZNQCLSA-N 1 0 350.419 2.005 20 5 FEBDRO COc1cc(OCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000069125894 541661165 /nfs/dbraw/zinc/66/11/65/541661165.db2.gz XNPXGZMTZLMSMN-AWEZNQCLSA-N 1 0 365.430 2.363 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000069470100 541687880 /nfs/dbraw/zinc/68/78/80/541687880.db2.gz VTSUFUQCMYPAHB-CQSZACIVSA-N 1 0 362.430 2.290 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069554659 541696691 /nfs/dbraw/zinc/69/66/91/541696691.db2.gz ZNNSQCCCCMWZBZ-HNNXBMFYSA-N 1 0 374.441 2.447 20 5 FEBDRO Cc1n[nH]c(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1[N+](=O)[O-] ZINC000069789075 541713789 /nfs/dbraw/zinc/71/37/89/541713789.db2.gz VLRUMYWDBCUDFO-UHFFFAOYSA-N 1 0 367.475 2.108 20 5 FEBDRO CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665165 541847485 /nfs/dbraw/zinc/84/74/85/541847485.db2.gz BOXUVDARVCWMMD-OAHLLOKOSA-N 1 0 355.398 2.036 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000073100402 541917831 /nfs/dbraw/zinc/91/78/31/541917831.db2.gz SUDRWXHBPIZGNL-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2C1 ZINC000064447234 221146034 /nfs/dbraw/zinc/14/60/34/221146034.db2.gz FHKMDSWCKXAYPU-QMMMGPOBSA-N 1 0 363.355 2.028 20 5 FEBDRO CC(C)CCO[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000083247035 542696455 /nfs/dbraw/zinc/69/64/55/542696455.db2.gz YUKVHMFREUHJDX-FUHWJXTLSA-N 1 0 352.431 2.472 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134108 674162894 /nfs/dbraw/zinc/16/28/94/674162894.db2.gz FBYZVMIXLYRQJO-GXTWGEPZSA-N 1 0 354.378 2.490 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909994 542789108 /nfs/dbraw/zinc/78/91/08/542789108.db2.gz OYTYLQILUOWUSV-ZDUSSCGKSA-N 1 0 363.439 2.396 20 5 FEBDRO Cc1c(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cccc1[N+](=O)[O-] ZINC000093260733 542921662 /nfs/dbraw/zinc/92/16/62/542921662.db2.gz QJWIVUBSLTUSHV-UHFFFAOYSA-N 1 0 370.409 2.441 20 5 FEBDRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000093867869 542943413 /nfs/dbraw/zinc/94/34/13/542943413.db2.gz AWZNUXMLWUMSDU-UHFFFAOYSA-N 1 0 365.411 2.336 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1OC ZINC000093870224 542943687 /nfs/dbraw/zinc/94/36/87/542943687.db2.gz LOFBZPOQDBKJOO-ZDUSSCGKSA-N 1 0 360.414 2.410 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247435756 549333806 /nfs/dbraw/zinc/33/38/06/549333806.db2.gz PBHONBJCHGWFAV-WBMJQRKESA-N 1 0 363.414 2.184 20 5 FEBDRO Cc1nn(C)c(N2CCC([NH2+]CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000097596006 543013723 /nfs/dbraw/zinc/01/37/23/543013723.db2.gz BUXJDFGZWODWJQ-UHFFFAOYSA-N 1 0 359.430 2.274 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000102335534 543065232 /nfs/dbraw/zinc/06/52/32/543065232.db2.gz YZMDEHPKPHHOOT-HNNXBMFYSA-N 1 0 363.393 2.085 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000103206335 543097001 /nfs/dbraw/zinc/09/70/01/543097001.db2.gz GIWHGFLHTKPOGG-NSHDSACASA-N 1 0 353.444 2.397 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC2CC[NH+](C)CC2)cc1OC ZINC000103452904 543108030 /nfs/dbraw/zinc/10/80/30/543108030.db2.gz BRBUKZBVLVRFGO-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)CC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000103453931 543108133 /nfs/dbraw/zinc/10/81/33/543108133.db2.gz GPDZMHROFXAHFB-UHFFFAOYSA-N 1 0 363.414 2.185 20 5 FEBDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000106468481 543231746 /nfs/dbraw/zinc/23/17/46/543231746.db2.gz HCRXWUOEGWWYOG-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000107873739 543280494 /nfs/dbraw/zinc/28/04/94/543280494.db2.gz PAGGZJVLPUJWCM-HNNXBMFYSA-N 1 0 374.441 2.319 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000108605441 543297454 /nfs/dbraw/zinc/29/74/54/543297454.db2.gz VCKSCLDFEYQHHL-STQMWFEESA-N 1 0 363.414 2.232 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000109575184 543327534 /nfs/dbraw/zinc/32/75/34/543327534.db2.gz IGTRVSWGNFXPLQ-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110428449 543357361 /nfs/dbraw/zinc/35/73/61/543357361.db2.gz YHNUUSRIHRIVTF-GOSISDBHSA-N 1 0 367.409 2.346 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000111101750 543381705 /nfs/dbraw/zinc/38/17/05/543381705.db2.gz KTAUBNLJHDMSJW-UHFFFAOYSA-N 1 0 365.405 2.499 20 5 FEBDRO Nc1ccc(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cn1 ZINC000112077734 543429782 /nfs/dbraw/zinc/42/97/82/543429782.db2.gz UBNYQDLAOBDNRI-UHFFFAOYSA-N 1 0 350.382 2.447 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000116922536 543620008 /nfs/dbraw/zinc/62/00/08/543620008.db2.gz OCOFGJDVCHGTAV-UHFFFAOYSA-N 1 0 374.422 2.144 20 5 FEBDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120185057 543676978 /nfs/dbraw/zinc/67/69/78/543676978.db2.gz BVYLINOVQGGIAH-CYBMUJFWSA-N 1 0 363.439 2.495 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000123188172 543747339 /nfs/dbraw/zinc/74/73/39/543747339.db2.gz WHNIOVOKRCQPAN-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123796609 543783335 /nfs/dbraw/zinc/78/33/35/543783335.db2.gz YLUIBPVBJBUCJQ-NSHDSACASA-N 1 0 359.473 2.260 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000123884576 543789162 /nfs/dbraw/zinc/78/91/62/543789162.db2.gz JKGSEGCUCUVKOE-UHFFFAOYSA-N 1 0 351.447 2.394 20 5 FEBDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC3 ZINC000123473081 543763489 /nfs/dbraw/zinc/76/34/89/543763489.db2.gz PSACPFYJVQRQMR-GFCCVEGCSA-N 1 0 355.398 2.428 20 5 FEBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000125514327 543886795 /nfs/dbraw/zinc/88/67/95/543886795.db2.gz CVRVQJTZZPBBSP-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000125996127 543912844 /nfs/dbraw/zinc/91/28/44/543912844.db2.gz TZEJDXJYMDECSP-DZGCQCFKSA-N 1 0 357.414 2.111 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000126762291 543955118 /nfs/dbraw/zinc/95/51/18/543955118.db2.gz INTZFNXKFWHDFW-MRXNPFEDSA-N 1 0 359.382 2.148 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000127879918 544019012 /nfs/dbraw/zinc/01/90/12/544019012.db2.gz VNTHLTDNSMVYQQ-UHFFFAOYSA-N 1 0 350.419 2.037 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000129499872 544115790 /nfs/dbraw/zinc/11/57/90/544115790.db2.gz XNFAKKNVNAHQCN-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000129874516 544130634 /nfs/dbraw/zinc/13/06/34/544130634.db2.gz AZKNCVQTYRFACS-JTQLQIEISA-N 1 0 361.320 2.265 20 5 FEBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247499434 549345391 /nfs/dbraw/zinc/34/53/91/549345391.db2.gz LPBXRMLLINYBCB-BLLLJJGKSA-N 1 0 352.822 2.369 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896724 544169687 /nfs/dbraw/zinc/16/96/87/544169687.db2.gz DAOPBLHJERRXME-GAFUQQFSSA-N 1 0 368.821 2.209 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000130928491 544170967 /nfs/dbraw/zinc/17/09/67/544170967.db2.gz XJXVKSRSQNQWRY-GFCCVEGCSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133711280 544280301 /nfs/dbraw/zinc/28/03/01/544280301.db2.gz JQBXDTVAVVPRBH-INIZCTEOSA-N 1 0 370.457 2.248 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135526810 544351032 /nfs/dbraw/zinc/35/10/32/544351032.db2.gz KIANFSXOAYDWNZ-JKSUJKDBSA-N 1 0 365.455 2.438 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000140429469 544408685 /nfs/dbraw/zinc/40/86/85/544408685.db2.gz STFAUQNUXAILBE-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136894937 544380994 /nfs/dbraw/zinc/38/09/94/544380994.db2.gz VZRDZXHTWSMFGA-WUTVXBCWSA-N 1 0 359.426 2.225 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1 ZINC000141815749 544414757 /nfs/dbraw/zinc/41/47/57/544414757.db2.gz FPPXOWSDZVUQMI-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152489122 544660446 /nfs/dbraw/zinc/66/04/46/544660446.db2.gz LTVPPNBPBMHRIL-ABAIWWIYSA-N 1 0 350.444 2.197 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000154302723 544888470 /nfs/dbraw/zinc/88/84/70/544888470.db2.gz ROBMLLFHXURSPJ-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553280059 674250077 /nfs/dbraw/zinc/25/00/77/674250077.db2.gz QDGURRWEURAHFF-QWHCGFSZSA-N 1 0 350.419 2.760 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000553415370 674259866 /nfs/dbraw/zinc/25/98/66/674259866.db2.gz GJZFWPKMDRLXDS-OLZOCXBDSA-N 1 0 350.419 2.394 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000181028232 327713074 /nfs/dbraw/zinc/71/30/74/327713074.db2.gz LPAJVWBKWJYZAN-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)ccc1OCC(N)=O ZINC000183454510 327819059 /nfs/dbraw/zinc/81/90/59/327819059.db2.gz ZRSIECNGGKTRQZ-UHFFFAOYSA-N 1 0 359.382 2.066 20 5 FEBDRO Cn1c(Sc2c([N+](=O)[O-])cccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000804463179 674288186 /nfs/dbraw/zinc/28/81/86/674288186.db2.gz ISWKOVQOVFNSDT-SECBINFHSA-N 1 0 364.387 2.250 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000185853691 327935739 /nfs/dbraw/zinc/93/57/39/327935739.db2.gz MJJLMVWISWUPKN-UHFFFAOYSA-N 1 0 361.423 2.425 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186546440 327967446 /nfs/dbraw/zinc/96/74/46/327967446.db2.gz WQVBQTYLSSDJBU-CYBMUJFWSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1cc(N2CC[NH+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000187162933 328005963 /nfs/dbraw/zinc/00/59/63/328005963.db2.gz XJYHKKSYLHQIBW-UHFFFAOYSA-N 1 0 372.429 2.086 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000188033169 328061706 /nfs/dbraw/zinc/06/17/06/328061706.db2.gz WHZBBFHXBHPOCJ-PXAZEXFGSA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188229165 328074648 /nfs/dbraw/zinc/07/46/48/328074648.db2.gz OJVJNYMPFVQLQH-ZIAGYGMSSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000188973841 328121035 /nfs/dbraw/zinc/12/10/35/328121035.db2.gz TXMFUBUEMPINLL-GWCFXTLKSA-N 1 0 351.309 2.342 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000189444838 328148836 /nfs/dbraw/zinc/14/88/36/328148836.db2.gz NZYXSTBTTGYTIY-CQSZACIVSA-N 1 0 366.462 2.298 20 5 FEBDRO CC(C)=CCNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000189491547 328151324 /nfs/dbraw/zinc/15/13/24/328151324.db2.gz QIIUVVPBCXXVCF-UHFFFAOYSA-N 1 0 370.475 2.203 20 5 FEBDRO O=C1C[C@@H](N2CCC([C@@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079848 328186493 /nfs/dbraw/zinc/18/64/93/328186493.db2.gz HRBZKDXPTNMDHQ-SJORKVTESA-N 1 0 373.409 2.118 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000190155880 328191424 /nfs/dbraw/zinc/19/14/24/328191424.db2.gz VMABWGSMMPPIBJ-UHFFFAOYSA-N 1 0 370.837 2.377 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000191759188 328280277 /nfs/dbraw/zinc/28/02/77/328280277.db2.gz RFAGWOUDOACWBV-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000192010128 328293852 /nfs/dbraw/zinc/29/38/52/328293852.db2.gz ZGTCATMTNNOUJH-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000192010145 328293886 /nfs/dbraw/zinc/29/38/86/328293886.db2.gz ZGTCATMTNNOUJH-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000193176419 328361195 /nfs/dbraw/zinc/36/11/95/328361195.db2.gz VMYICUSIVOMZED-LLVKDONJSA-N 1 0 374.363 2.390 20 5 FEBDRO COc1ccc(CSCC(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193392650 328372466 /nfs/dbraw/zinc/37/24/66/328372466.db2.gz VVDLOESUSNFJJD-UHFFFAOYSA-N 1 0 353.444 2.095 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193633574 328386742 /nfs/dbraw/zinc/38/67/42/328386742.db2.gz YPPPPNKINYONKC-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000193693957 328390023 /nfs/dbraw/zinc/39/00/23/328390023.db2.gz ZUWFYTHVALCGHQ-UHFFFAOYSA-N 1 0 364.402 2.047 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000195213584 328462452 /nfs/dbraw/zinc/46/24/52/328462452.db2.gz VSYMCMGGWDURPI-INIZCTEOSA-N 1 0 353.423 2.028 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000015360893 324382406 /nfs/dbraw/zinc/38/24/06/324382406.db2.gz SLDZLFSJWHYSAV-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000027581189 324433769 /nfs/dbraw/zinc/43/37/69/324433769.db2.gz NBDSRVVDDOAZFZ-KRWDZBQOSA-N 1 0 357.410 2.263 20 5 FEBDRO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1[N+](=O)[O-] ZINC000195430386 328476990 /nfs/dbraw/zinc/47/69/90/328476990.db2.gz ZGLPDDYNHCKMQD-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000078457137 325046419 /nfs/dbraw/zinc/04/64/19/325046419.db2.gz WYWYKMOMCCGFDA-LBPRGKRZSA-N 1 0 368.821 2.434 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCCC2CC2)c([N+](=O)[O-])c1 ZINC000078499026 325048482 /nfs/dbraw/zinc/04/84/82/325048482.db2.gz YANGLZVGKIRUCR-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237416835 328515327 /nfs/dbraw/zinc/51/53/27/328515327.db2.gz GFWCVYDWVZOQQR-JQWIXIFHSA-N 1 0 370.247 2.486 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079557366 325096776 /nfs/dbraw/zinc/09/67/76/325096776.db2.gz GPNWVMOLHSESLC-RHSMWYFYSA-N 1 0 371.441 2.269 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081570357 325184658 /nfs/dbraw/zinc/18/46/58/325184658.db2.gz CBGBCQDTIMDSMD-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237640412 328523323 /nfs/dbraw/zinc/52/33/23/328523323.db2.gz MFYZCBFLKXWHAX-LJQANCHMSA-N 1 0 371.441 2.314 20 5 FEBDRO Cc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457571 325255358 /nfs/dbraw/zinc/25/53/58/325255358.db2.gz IFUVLQLDOSZHDW-OKILXGFUSA-N 1 0 364.446 2.105 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000087128208 325274508 /nfs/dbraw/zinc/27/45/08/325274508.db2.gz RFSHTOMPZJXAQL-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090511987 325361785 /nfs/dbraw/zinc/36/17/85/325361785.db2.gz OVSQEPMTGUDMKH-OAHLLOKOSA-N 1 0 370.409 2.107 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000090522705 325362179 /nfs/dbraw/zinc/36/21/79/325362179.db2.gz XLZNECSSIZNAFT-QGZVFWFLSA-N 1 0 362.474 2.200 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000090551961 325363517 /nfs/dbraw/zinc/36/35/17/325363517.db2.gz LVPRJXRBSHTMKK-LJQANCHMSA-N 1 0 371.437 2.480 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094122149 325453265 /nfs/dbraw/zinc/45/32/65/325453265.db2.gz IUYYPADXTLGXDF-UHFFFAOYSA-N 1 0 370.409 2.034 20 5 FEBDRO CC(C)(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000102219056 325489276 /nfs/dbraw/zinc/48/92/76/325489276.db2.gz QYFTWVSMQLOLHY-AWEZNQCLSA-N 1 0 361.402 2.073 20 5 FEBDRO Cn1ccnc1CC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106164439 325587840 /nfs/dbraw/zinc/58/78/40/325587840.db2.gz CUBUNVJTNPTRPT-KRWDZBQOSA-N 1 0 374.441 2.023 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000106817806 325611642 /nfs/dbraw/zinc/61/16/42/325611642.db2.gz KKFHAFZGAVVQLB-CQSZACIVSA-N 1 0 362.474 2.258 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107872780 325636514 /nfs/dbraw/zinc/63/65/14/325636514.db2.gz GKLGSHNXFGDCAM-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000118787620 326102532 /nfs/dbraw/zinc/10/25/32/326102532.db2.gz CTDROHCWFQIVEQ-HNNXBMFYSA-N 1 0 362.430 2.479 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000119292945 326146552 /nfs/dbraw/zinc/14/65/52/326146552.db2.gz DOAFNRAWWMGYOF-UHFFFAOYSA-N 1 0 367.421 2.236 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000119778994 326197172 /nfs/dbraw/zinc/19/71/72/326197172.db2.gz SNULBIQLCBMCQH-OAHLLOKOSA-N 1 0 371.441 2.488 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000119852302 326205216 /nfs/dbraw/zinc/20/52/16/326205216.db2.gz SKDOLHNTFJSKBI-DOMZBBRYSA-N 1 0 362.430 2.030 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000120341539 326250811 /nfs/dbraw/zinc/25/08/11/326250811.db2.gz IOQCWKZQBPAGNX-STQMWFEESA-N 1 0 360.414 2.305 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000120555050 326268294 /nfs/dbraw/zinc/26/82/94/326268294.db2.gz YTOKAWHXJWDTKO-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000120915035 326298614 /nfs/dbraw/zinc/29/86/14/326298614.db2.gz BIBNLXLYNYYQCM-JSGCOSHPSA-N 1 0 355.460 2.172 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121075577 326311429 /nfs/dbraw/zinc/31/14/29/326311429.db2.gz VJTRMDOAYWYXIR-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121721505 326361269 /nfs/dbraw/zinc/36/12/69/326361269.db2.gz XMPPSXYISFVXIB-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO Cc1ccc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000126807525 326495521 /nfs/dbraw/zinc/49/55/21/326495521.db2.gz UVMDHYVCJWTTRX-INIZCTEOSA-N 1 0 373.409 2.457 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000133195615 326604665 /nfs/dbraw/zinc/60/46/65/326604665.db2.gz NWNSIUSDTCSZOH-SNVBAGLBSA-N 1 0 370.837 2.279 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000134370350 326624457 /nfs/dbraw/zinc/62/44/57/326624457.db2.gz PMNWCXBORZUALQ-DLBZAZTESA-N 1 0 362.430 2.484 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136226387 326651068 /nfs/dbraw/zinc/65/10/68/326651068.db2.gz BOUUAEMROFJNMA-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO O=C(CC[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000153190780 326726544 /nfs/dbraw/zinc/72/65/44/326726544.db2.gz DUDZGYRXTYODEA-UHFFFAOYSA-N 1 0 374.441 2.400 20 5 FEBDRO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000153795601 326743033 /nfs/dbraw/zinc/74/30/33/326743033.db2.gz QILDPTSDNHKZED-AWEZNQCLSA-N 1 0 364.446 2.460 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000160490466 326967485 /nfs/dbraw/zinc/96/74/85/326967485.db2.gz VVSVOBGYMWDSQT-STQMWFEESA-N 1 0 353.444 2.154 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000162174839 327018760 /nfs/dbraw/zinc/01/87/60/327018760.db2.gz WXYYKBIXKPEEDG-CYBMUJFWSA-N 1 0 367.471 2.432 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000164713237 327073479 /nfs/dbraw/zinc/07/34/79/327073479.db2.gz SAQAKSBZZLHEMG-LBPRGKRZSA-N 1 0 365.411 2.210 20 5 FEBDRO COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000170628024 327089524 /nfs/dbraw/zinc/08/95/24/327089524.db2.gz KGQIGVUREUZCRO-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC(C[NH+]4CCOCC4)CC3)cc2N1 ZINC000170639664 327090062 /nfs/dbraw/zinc/09/00/62/327090062.db2.gz REWJZLSHKTUFEW-UHFFFAOYSA-N 1 0 374.441 2.028 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000170665970 327092429 /nfs/dbraw/zinc/09/24/29/327092429.db2.gz DNOUDDHNKOTSSG-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171619096 327148673 /nfs/dbraw/zinc/14/86/73/327148673.db2.gz LADRVRJQHCENQR-CQSZACIVSA-N 1 0 357.414 2.391 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172460831 327202800 /nfs/dbraw/zinc/20/28/00/327202800.db2.gz HNJIXMLJALMVCC-ZZXKWVIFSA-N 1 0 359.426 2.179 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619129 327211932 /nfs/dbraw/zinc/21/19/32/327211932.db2.gz QRLHOJNGJVEREI-UKRRQHHQSA-N 1 0 357.414 2.335 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172648671 327213530 /nfs/dbraw/zinc/21/35/30/327213530.db2.gz GCEXIEICXKFNFW-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173045362 327232175 /nfs/dbraw/zinc/23/21/75/327232175.db2.gz LUHUEZHOGXYTCS-QAPCUYQASA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000173055661 327232770 /nfs/dbraw/zinc/23/27/70/327232770.db2.gz CRUQRFXVAGSASU-ZDUSSCGKSA-N 1 0 374.445 2.190 20 5 FEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173265730 327245179 /nfs/dbraw/zinc/24/51/79/327245179.db2.gz DKUHADAJOAAHQM-ZYHUDNBSSA-N 1 0 361.851 2.351 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173355969 327251667 /nfs/dbraw/zinc/25/16/67/327251667.db2.gz PVEMGHKUGACQIC-CQSZACIVSA-N 1 0 363.439 2.365 20 5 FEBDRO Cc1cccc(NC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173524016 327263809 /nfs/dbraw/zinc/26/38/09/327263809.db2.gz HQAAPDSYRFURQY-GOSISDBHSA-N 1 0 359.430 2.037 20 5 FEBDRO C[C@H](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000173590663 327269523 /nfs/dbraw/zinc/26/95/23/327269523.db2.gz GLWDCADGXDMGCM-OAHLLOKOSA-N 1 0 359.430 2.208 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000173785005 327283968 /nfs/dbraw/zinc/28/39/68/327283968.db2.gz HRVMJPDVOIIUOS-HNNXBMFYSA-N 1 0 360.458 2.148 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173882990 327291184 /nfs/dbraw/zinc/29/11/84/327291184.db2.gz SOVQJEUUXUNSKJ-KBPBESRZSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173992737 327300173 /nfs/dbraw/zinc/30/01/73/327300173.db2.gz BJOTXUQGLBSHIO-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000173989731 327300211 /nfs/dbraw/zinc/30/02/11/327300211.db2.gz ZQBLAFWTLJJLOE-OAHLLOKOSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174184700 327311265 /nfs/dbraw/zinc/31/12/65/327311265.db2.gz NAUDTCAKHPEGBD-GXTWGEPZSA-N 1 0 350.419 2.228 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000174512576 327331662 /nfs/dbraw/zinc/33/16/62/327331662.db2.gz UYWRWQDTSRFNRC-LBPRGKRZSA-N 1 0 350.375 2.225 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000174660193 327342019 /nfs/dbraw/zinc/34/20/19/327342019.db2.gz PQCMZXMNBVVBBR-QGZVFWFLSA-N 1 0 356.382 2.448 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000174660177 327342130 /nfs/dbraw/zinc/34/21/30/327342130.db2.gz PQCMZXMNBVVBBR-KRWDZBQOSA-N 1 0 356.382 2.448 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174941765 327362732 /nfs/dbraw/zinc/36/27/32/327362732.db2.gz DOCHTOUBWHWVPF-KRWDZBQOSA-N 1 0 371.441 2.080 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175084151 327372897 /nfs/dbraw/zinc/37/28/97/327372897.db2.gz YNDBPKNHJMZSEI-ZIAGYGMSSA-N 1 0 355.460 2.308 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175087062 327373008 /nfs/dbraw/zinc/37/30/08/327373008.db2.gz XMXQSQUUCUOSEJ-GHMZBOCLSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000175091656 327373360 /nfs/dbraw/zinc/37/33/60/327373360.db2.gz PFCYDKQAWKOPSB-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000175089634 327373364 /nfs/dbraw/zinc/37/33/64/327373364.db2.gz YZROREHJYZATOV-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000175213124 327380204 /nfs/dbraw/zinc/38/02/04/327380204.db2.gz WCRWCIRJFWKLFR-GOSISDBHSA-N 1 0 362.474 2.205 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000175261918 327383287 /nfs/dbraw/zinc/38/32/87/327383287.db2.gz LOTSFEKTUDJXKZ-JTQLQIEISA-N 1 0 373.356 2.292 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000176216818 327441494 /nfs/dbraw/zinc/44/14/94/327441494.db2.gz ORWMXZAZPPBIDD-CQSZACIVSA-N 1 0 364.446 2.374 20 5 FEBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176225603 327442012 /nfs/dbraw/zinc/44/20/12/327442012.db2.gz IKSBVGMFHDUSNY-UHFFFAOYSA-N 1 0 361.377 2.281 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1C ZINC000176975293 327488240 /nfs/dbraw/zinc/48/82/40/327488240.db2.gz KWGVKXIUFKRPFO-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000177493456 327526440 /nfs/dbraw/zinc/52/64/40/327526440.db2.gz YSIUYBDEKFJNKO-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000251665910 328788657 /nfs/dbraw/zinc/78/86/57/328788657.db2.gz LJXKCNHYIDPESQ-OWCLPIDISA-N 1 0 360.414 2.305 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261714924 328814147 /nfs/dbraw/zinc/81/41/47/328814147.db2.gz PZTOANWWBRTRTN-HNNXBMFYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261932306 328830277 /nfs/dbraw/zinc/83/02/77/328830277.db2.gz LLVZXJZTCBRIBY-LBPRGKRZSA-N 1 0 355.398 2.112 20 5 FEBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000262665584 328879635 /nfs/dbraw/zinc/87/96/35/328879635.db2.gz PILGQMLPNZIBRV-RHSMWYFYSA-N 1 0 355.398 2.011 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000264217986 329001087 /nfs/dbraw/zinc/00/10/87/329001087.db2.gz KBXAUZNFXKOCNL-UHFFFAOYSA-N 1 0 371.437 2.437 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264616064 329041301 /nfs/dbraw/zinc/04/13/01/329041301.db2.gz QQFQWIFMYAJCGU-HNNXBMFYSA-N 1 0 362.430 2.373 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000264909442 329073588 /nfs/dbraw/zinc/07/35/88/329073588.db2.gz DYFPXNFRQUPRMZ-DZGCQCFKSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000265102302 329091237 /nfs/dbraw/zinc/09/12/37/329091237.db2.gz FEFRCKUNNJVTKA-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000265236561 329105676 /nfs/dbraw/zinc/10/56/76/329105676.db2.gz RYTISIWNUYPAJP-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000265518880 329135490 /nfs/dbraw/zinc/13/54/90/329135490.db2.gz LQGBIHIEBKVFDM-CYBMUJFWSA-N 1 0 372.425 2.307 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000265524841 329135987 /nfs/dbraw/zinc/13/59/87/329135987.db2.gz UHTMCAKJJSRXBP-SNVBAGLBSA-N 1 0 374.344 2.038 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000265996223 329180078 /nfs/dbraw/zinc/18/00/78/329180078.db2.gz NNOGVCYCESXVGK-JSGCOSHPSA-N 1 0 365.430 2.414 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000265998469 329180254 /nfs/dbraw/zinc/18/02/54/329180254.db2.gz ORLXNSKAPBYVHQ-SPGJAERMSA-N 1 0 363.414 2.334 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cc3ccccc3F)CC2)c1 ZINC000266563033 329236497 /nfs/dbraw/zinc/23/64/97/329236497.db2.gz YFNVGYQCORIVIH-QGZVFWFLSA-N 1 0 362.405 2.246 20 5 FEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000267641722 329346209 /nfs/dbraw/zinc/34/62/09/329346209.db2.gz JSIRJWVHGNZBOB-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCSC1 ZINC000268065917 329381990 /nfs/dbraw/zinc/38/19/90/329381990.db2.gz BXNDQOXEMXYZFO-OAHLLOKOSA-N 1 0 372.878 2.485 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000270043741 329570515 /nfs/dbraw/zinc/57/05/15/329570515.db2.gz BAIAWXUTNWIMKV-CQSZACIVSA-N 1 0 365.405 2.303 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH+](C)C ZINC000271218373 329674109 /nfs/dbraw/zinc/67/41/09/329674109.db2.gz ZLAQWWLQGRCHRM-JKSUJKDBSA-N 1 0 362.455 2.123 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272346419 329772449 /nfs/dbraw/zinc/77/24/49/329772449.db2.gz CKOWBOYMTQROJA-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000272565380 329792571 /nfs/dbraw/zinc/79/25/71/329792571.db2.gz UVOWUVYJQBHQAY-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COCC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273225962 329846936 /nfs/dbraw/zinc/84/69/36/329846936.db2.gz DZHOYTAKOKVLPX-GDBMZVCRSA-N 1 0 350.371 2.295 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000273370765 329859527 /nfs/dbraw/zinc/85/95/27/329859527.db2.gz CPOMMEJPQQNDEP-GGZOMVNGSA-N 1 0 354.204 2.167 20 5 FEBDRO CC(C)(C)OC1CC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000273451973 329866274 /nfs/dbraw/zinc/86/62/74/329866274.db2.gz OSWSUZCOQUXNSB-UHFFFAOYSA-N 1 0 356.444 2.304 20 5 FEBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000274093511 329915494 /nfs/dbraw/zinc/91/54/94/329915494.db2.gz UNCAFBSLZARSIL-UHFFFAOYSA-N 1 0 369.368 2.057 20 5 FEBDRO COc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000275155088 330016278 /nfs/dbraw/zinc/01/62/78/330016278.db2.gz VDNIVZONEPTNCK-UONOGXRCSA-N 1 0 360.357 2.496 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000276219747 330130257 /nfs/dbraw/zinc/13/02/57/330130257.db2.gz DCRODKVBATXEBC-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276279716 330136469 /nfs/dbraw/zinc/13/64/69/330136469.db2.gz FEEBDVTYOVILLX-HKUYNNGSSA-N 1 0 372.425 2.123 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367219919 330232039 /nfs/dbraw/zinc/23/20/39/330232039.db2.gz PCXJTTXUPAOLQQ-HZPDHXFCSA-N 1 0 358.394 2.318 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234663 330234115 /nfs/dbraw/zinc/23/41/15/330234115.db2.gz RIXDBXIYDYJMAO-CVEARBPZSA-N 1 0 355.394 2.431 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956433 534602697 /nfs/dbraw/zinc/60/26/97/534602697.db2.gz KSYVRFDCKIDOLT-UONOGXRCSA-N 1 0 361.423 2.403 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247555969 549356221 /nfs/dbraw/zinc/35/62/21/549356221.db2.gz TZYRDPOQEQBJHN-FZKQIMNGSA-N 1 0 369.425 2.334 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156356345 545621046 /nfs/dbraw/zinc/62/10/46/545621046.db2.gz PLWPXUDVFQXNEG-HNNXBMFYSA-N 1 0 362.430 2.032 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000158567225 545871743 /nfs/dbraw/zinc/87/17/43/545871743.db2.gz DEPDGTVGJVZALH-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000159388432 545949194 /nfs/dbraw/zinc/94/91/94/545949194.db2.gz SINTYDJXYIXXHH-UHFFFAOYSA-N 1 0 358.402 2.021 20 5 FEBDRO Cc1c(CC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000160371851 546034288 /nfs/dbraw/zinc/03/42/88/546034288.db2.gz KGFNQRLTJPLTFW-UHFFFAOYSA-N 1 0 369.425 2.231 20 5 FEBDRO CCOc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000478730046 561173707 /nfs/dbraw/zinc/17/37/07/561173707.db2.gz ADZAMVQPKCKZHS-UHFFFAOYSA-N 1 0 363.414 2.115 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000160946719 546087160 /nfs/dbraw/zinc/08/71/60/546087160.db2.gz MZEBAIURAGEQHY-UHFFFAOYSA-N 1 0 369.487 2.320 20 5 FEBDRO CN(C(=O)CN(CCC[NH3+])Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000479778290 561196932 /nfs/dbraw/zinc/19/69/32/561196932.db2.gz JOOOEEBTMICBJM-UHFFFAOYSA-N 1 0 356.426 2.409 20 5 FEBDRO Cc1nn(C)c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000176124720 546410915 /nfs/dbraw/zinc/41/09/15/546410915.db2.gz KEBVLGJKLXJHQV-UHFFFAOYSA-N 1 0 371.441 2.373 20 5 FEBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000176315782 546430893 /nfs/dbraw/zinc/43/08/93/546430893.db2.gz JMULHQJPIMRFOV-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000177499469 546631501 /nfs/dbraw/zinc/63/15/01/546631501.db2.gz KDBFWSYALHOQBC-PBHICJAKSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000481539378 561235694 /nfs/dbraw/zinc/23/56/94/561235694.db2.gz GKEKTWGVZNYZIS-INIZCTEOSA-N 1 0 351.403 2.289 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178948493 546878980 /nfs/dbraw/zinc/87/89/80/546878980.db2.gz NZZYTQVWOBJRID-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO C[C@@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980260 546882807 /nfs/dbraw/zinc/88/28/07/546882807.db2.gz FGVTXJQSQCRVFV-YGRLFVJLSA-N 1 0 361.851 2.434 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862747 547022590 /nfs/dbraw/zinc/02/25/90/547022590.db2.gz LDXHJCCHBOIFLR-NEPJUHHUSA-N 1 0 351.403 2.335 20 5 FEBDRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180397989 547100357 /nfs/dbraw/zinc/10/03/57/547100357.db2.gz CACMFQPTVFOPGI-STQMWFEESA-N 1 0 363.414 2.046 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000180479468 547115009 /nfs/dbraw/zinc/11/50/09/547115009.db2.gz VTQQNVRONNZIDF-IBGZPJMESA-N 1 0 369.421 2.482 20 5 FEBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180561304 547130836 /nfs/dbraw/zinc/13/08/36/547130836.db2.gz FXEVQPLXEXLDBS-GFCCVEGCSA-N 1 0 357.414 2.431 20 5 FEBDRO Cc1nn(CCC(=O)NCC(C)(C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000482960762 561263917 /nfs/dbraw/zinc/26/39/17/561263917.db2.gz LVOMNKGDYGXOPV-UHFFFAOYSA-N 1 0 351.451 2.036 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000180987952 547226374 /nfs/dbraw/zinc/22/63/74/547226374.db2.gz DHVBKZTYYRECLH-UHFFFAOYSA-N 1 0 373.356 2.037 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181464485 547318800 /nfs/dbraw/zinc/31/88/00/547318800.db2.gz KMXPSOVTJNELBM-DYVFJYSZSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181479292 547322238 /nfs/dbraw/zinc/32/22/38/547322238.db2.gz VBYXLSHQZKBGSL-HIFRSBDPSA-N 1 0 363.462 2.259 20 5 FEBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656318 547354237 /nfs/dbraw/zinc/35/42/37/547354237.db2.gz LRABHPPYRNJZLC-CJNGLKHVSA-N 1 0 354.357 2.417 20 5 FEBDRO Cn1ccnc1CC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182237867 547459120 /nfs/dbraw/zinc/45/91/20/547459120.db2.gz HMYKNGMHPKHAAA-MRXNPFEDSA-N 1 0 374.441 2.023 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000182341683 547476355 /nfs/dbraw/zinc/47/63/55/547476355.db2.gz GIURHNDZIHUONC-CYBMUJFWSA-N 1 0 370.475 2.179 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182850977 547561901 /nfs/dbraw/zinc/56/19/01/547561901.db2.gz NUNJJZURVKYPKM-QAPCUYQASA-N 1 0 360.458 2.203 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000484088663 561291183 /nfs/dbraw/zinc/29/11/83/561291183.db2.gz LMEMQOBUSCOHIW-UWVGGRQHSA-N 1 0 361.320 2.345 20 5 FEBDRO C[NH+](C)CCOc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000183249150 547627277 /nfs/dbraw/zinc/62/72/77/547627277.db2.gz KCNUGTQOMHNPMC-UHFFFAOYSA-N 1 0 370.369 2.059 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000183727654 547708352 /nfs/dbraw/zinc/70/83/52/547708352.db2.gz XFJRMUDBQUWWMM-PBHICJAKSA-N 1 0 369.487 2.129 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183785220 547719641 /nfs/dbraw/zinc/71/96/41/547719641.db2.gz CEEPIXLAPJUJML-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184136500 547775593 /nfs/dbraw/zinc/77/55/93/547775593.db2.gz YZEQWNCGZVPLTM-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000184522364 547840583 /nfs/dbraw/zinc/84/05/83/547840583.db2.gz VSOZGNBAJOMDSB-INIZCTEOSA-N 1 0 367.471 2.375 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000184915377 547899634 /nfs/dbraw/zinc/89/96/34/547899634.db2.gz VQTYLUKZKKHOCG-ABAIWWIYSA-N 1 0 373.450 2.393 20 5 FEBDRO C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185469764 547988948 /nfs/dbraw/zinc/98/89/48/547988948.db2.gz QNXJVJDUAKHTMX-KGLIPLIRSA-N 1 0 365.405 2.018 20 5 FEBDRO COc1cc(OCC(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000186177959 548095768 /nfs/dbraw/zinc/09/57/68/548095768.db2.gz GLOYSFLJKUADNY-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485912506 561332213 /nfs/dbraw/zinc/33/22/13/561332213.db2.gz IOFNZVNXVBRWFC-CYBMUJFWSA-N 1 0 364.446 2.467 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186953786 548227923 /nfs/dbraw/zinc/22/79/23/548227923.db2.gz IMQXOZVUCKTVCR-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193920989 548406212 /nfs/dbraw/zinc/40/62/12/548406212.db2.gz NXSVJKZRSRJOOP-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000194869251 548543643 /nfs/dbraw/zinc/54/36/43/548543643.db2.gz NJAHDSLZVMESRN-SFHVURJKSA-N 1 0 363.414 2.105 20 5 FEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236748208 548776700 /nfs/dbraw/zinc/77/67/00/548776700.db2.gz OQZGCEPYOFIHAN-SECBINFHSA-N 1 0 369.365 2.409 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237106089 548800196 /nfs/dbraw/zinc/80/01/96/548800196.db2.gz SFPJQPVJBVZRCT-UHFFFAOYSA-N 1 0 371.441 2.280 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C[NH2+]1 ZINC000237438811 548825976 /nfs/dbraw/zinc/82/59/76/548825976.db2.gz HRORCGJEXGWNDA-NXEZZACHSA-N 1 0 356.220 2.109 20 5 FEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237667228 548843278 /nfs/dbraw/zinc/84/32/78/548843278.db2.gz XFMZUQDWTHVQQH-SNVBAGLBSA-N 1 0 361.320 2.408 20 5 FEBDRO O=C(C[NH2+]C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237894263 548862050 /nfs/dbraw/zinc/86/20/50/548862050.db2.gz XCMHFBOTZXTYJJ-UHFFFAOYSA-N 1 0 372.347 2.014 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000237971119 548868195 /nfs/dbraw/zinc/86/81/95/548868195.db2.gz DBKWMJYWPDKNTB-UHFFFAOYSA-N 1 0 355.460 2.327 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487941473 561379379 /nfs/dbraw/zinc/37/93/79/561379379.db2.gz DFEPDRNAVFNRGB-MRXNPFEDSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245459704 548925916 /nfs/dbraw/zinc/92/59/16/548925916.db2.gz VMMDIMRTKPFLTB-NVXWUHKLSA-N 1 0 372.425 2.224 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000245483374 548932186 /nfs/dbraw/zinc/93/21/86/548932186.db2.gz FICHLZXBZNSJNX-QWHCGFSZSA-N 1 0 351.403 2.289 20 5 FEBDRO CN1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245663130 548969110 /nfs/dbraw/zinc/96/91/10/548969110.db2.gz QFMJIGDAELKLPM-IAGOWNOFSA-N 1 0 361.423 2.319 20 5 FEBDRO COCCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245872117 549007542 /nfs/dbraw/zinc/00/75/42/549007542.db2.gz MDXOINPYTWZCPJ-XJKSGUPXSA-N 1 0 351.403 2.049 20 5 FEBDRO CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)O1 ZINC000246021843 549037836 /nfs/dbraw/zinc/03/78/36/549037836.db2.gz KBGADVULYCLOFS-NUJGCVRESA-N 1 0 361.442 2.141 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762129 561396353 /nfs/dbraw/zinc/39/63/53/561396353.db2.gz CKXLHXROVAJKHN-HWWQOWPSSA-N 1 0 357.414 2.410 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247154164 549291017 /nfs/dbraw/zinc/29/10/17/549291017.db2.gz KEPYHBMIPFFWNH-OCCSQVGLSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247170857 549293755 /nfs/dbraw/zinc/29/37/55/549293755.db2.gz ASZBMNZFCDRGQW-DZGCQCFKSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000248452837 549441107 /nfs/dbraw/zinc/44/11/07/549441107.db2.gz JUQJNNLSBQFNIE-BFYDXBDKSA-N 1 0 360.414 2.114 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252544375 549674063 /nfs/dbraw/zinc/67/40/63/549674063.db2.gz IDGHCBXMQDHTHW-QWRGUYRKSA-N 1 0 357.208 2.027 20 5 FEBDRO [NH3+]CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCCC1 ZINC000489957386 561423316 /nfs/dbraw/zinc/42/33/16/561423316.db2.gz PEBGJRYOJGDDPI-UHFFFAOYSA-N 1 0 360.458 2.325 20 5 FEBDRO Cn1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261668010 549740830 /nfs/dbraw/zinc/74/08/30/549740830.db2.gz CMWLALZOOTWPAE-UHFFFAOYSA-N 1 0 369.425 2.211 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261714928 549746922 /nfs/dbraw/zinc/74/69/22/549746922.db2.gz PZTOANWWBRTRTN-OAHLLOKOSA-N 1 0 353.444 2.056 20 5 FEBDRO NC(=O)c1ccc(SCc2nc(C3([NH3+])CCCC3)no2)c([N+](=O)[O-])c1 ZINC000261836865 549760775 /nfs/dbraw/zinc/76/07/75/549760775.db2.gz ROVMCYHXARBJFR-UHFFFAOYSA-N 1 0 363.399 2.097 20 5 FEBDRO COc1ccccc1[C@@H]1CNCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000261907462 549768880 /nfs/dbraw/zinc/76/88/80/549768880.db2.gz HDCUWBVLEDIVGL-INIZCTEOSA-N 1 0 371.393 2.399 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262480515 549823391 /nfs/dbraw/zinc/82/33/91/549823391.db2.gz ZMSLQGGXABALHX-MRXNPFEDSA-N 1 0 357.414 2.289 20 5 FEBDRO COc1cc(CCNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000262652081 549835190 /nfs/dbraw/zinc/83/51/90/549835190.db2.gz LOMMUBHEXLKDNF-SFHVURJKSA-N 1 0 373.409 2.279 20 5 FEBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000492438287 561451261 /nfs/dbraw/zinc/45/12/61/561451261.db2.gz IVKPACKNSGTBBW-ZDUSSCGKSA-N 1 0 373.409 2.407 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000269434553 550195579 /nfs/dbraw/zinc/19/55/79/550195579.db2.gz QJTXGRQSQAMJOO-CYBMUJFWSA-N 1 0 370.475 2.022 20 5 FEBDRO CS[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+](C)C ZINC000270626372 550290442 /nfs/dbraw/zinc/29/04/42/550290442.db2.gz FJYZHJNSJONULU-ZIAGYGMSSA-N 1 0 363.443 2.122 20 5 FEBDRO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271622731 550390540 /nfs/dbraw/zinc/39/05/40/550390540.db2.gz NDUIPLCYCOXYJO-RBSFLKMASA-N 1 0 364.446 2.454 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000272238752 550430631 /nfs/dbraw/zinc/43/06/31/550430631.db2.gz XAHQTRBFVZFRIH-GFCCVEGCSA-N 1 0 365.430 2.414 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295012 550435305 /nfs/dbraw/zinc/43/53/05/550435305.db2.gz HSFJEUWCZJLNAS-TVQRCGJNSA-N 1 0 355.341 2.409 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405605 550444675 /nfs/dbraw/zinc/44/46/75/550444675.db2.gz KIAQMUCFCXFZCP-LBPRGKRZSA-N 1 0 359.373 2.431 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497587 550452910 /nfs/dbraw/zinc/45/29/10/550452910.db2.gz GHPSLKJQRPMXPD-JEBQAFNWSA-N 1 0 355.442 2.490 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Nc2ccncc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000272660323 550463426 /nfs/dbraw/zinc/46/34/26/550463426.db2.gz HOSPZNQPWBRLMQ-UHFFFAOYSA-N 1 0 355.398 2.211 20 5 FEBDRO Cc1nn(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000273128292 550486403 /nfs/dbraw/zinc/48/64/03/550486403.db2.gz PHPLSJPIZVPVJF-UHFFFAOYSA-N 1 0 371.441 2.143 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000273231293 550490730 /nfs/dbraw/zinc/49/07/30/550490730.db2.gz FUDPYJDSFACPHL-GFCCVEGCSA-N 1 0 365.430 2.414 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273343502 550495044 /nfs/dbraw/zinc/49/50/44/550495044.db2.gz AZGXNJJLJZFAGQ-ZDUSSCGKSA-N 1 0 367.425 2.129 20 5 FEBDRO CC(C)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C[NH+]1CCCC1 ZINC000276765321 550593404 /nfs/dbraw/zinc/59/34/04/550593404.db2.gz RWQQYSOJDUEZFP-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277021203 550622820 /nfs/dbraw/zinc/62/28/20/550622820.db2.gz ZSNKZMTXMVEPGW-UHFFFAOYSA-N 1 0 356.382 2.391 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277668541 550699044 /nfs/dbraw/zinc/69/90/44/550699044.db2.gz HGVSCFYKQATZIK-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086368 550747447 /nfs/dbraw/zinc/74/74/47/550747447.db2.gz PQACPZJHHAWQFA-VXGBXAGGSA-N 1 0 360.418 2.143 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278167909 550756586 /nfs/dbraw/zinc/75/65/86/550756586.db2.gz AUBNVYUKRKBQAT-OAHLLOKOSA-N 1 0 358.446 2.077 20 5 FEBDRO CCn1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000278382034 550779337 /nfs/dbraw/zinc/77/93/37/550779337.db2.gz FFHZKKCEFNEAHN-UHFFFAOYSA-N 1 0 369.429 2.400 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495686 550792548 /nfs/dbraw/zinc/79/25/48/550792548.db2.gz AAHZNUZEOPYDTR-KFKAGJAMSA-N 1 0 371.437 2.421 20 5 FEBDRO COc1cc(C[NH2+]CCCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000278715236 550814090 /nfs/dbraw/zinc/81/40/90/550814090.db2.gz KOJKWFJIFJNAHT-UHFFFAOYSA-N 1 0 352.309 2.407 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000278842490 550827816 /nfs/dbraw/zinc/82/78/16/550827816.db2.gz KBQGLEJFMSWJQT-UHFFFAOYSA-N 1 0 374.445 2.392 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000278846317 550828513 /nfs/dbraw/zinc/82/85/13/550828513.db2.gz WFTALSPGUQSRBX-CYBMUJFWSA-N 1 0 355.822 2.133 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000279266678 550871656 /nfs/dbraw/zinc/87/16/56/550871656.db2.gz MVYZZGSPHZUEAF-DTDBQYNISA-N 1 0 362.426 2.272 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279286896 550873723 /nfs/dbraw/zinc/87/37/23/550873723.db2.gz KSDAKYXSMHPBLO-PXAZEXFGSA-N 1 0 363.414 2.431 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000279717089 550920767 /nfs/dbraw/zinc/92/07/67/550920767.db2.gz UDCKDJKOJZVCLC-DZGCQCFKSA-N 1 0 352.456 2.473 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000280280677 550976365 /nfs/dbraw/zinc/97/63/65/550976365.db2.gz DMDQHCMSDLCJNC-LBPRGKRZSA-N 1 0 351.403 2.025 20 5 FEBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000280996492 551053031 /nfs/dbraw/zinc/05/30/31/551053031.db2.gz JNZXSGUGVYOEHP-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO COc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000282316357 551210948 /nfs/dbraw/zinc/21/09/48/551210948.db2.gz SYWZBWLEPYFJFO-CYBMUJFWSA-N 1 0 353.394 2.291 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000497459484 561501436 /nfs/dbraw/zinc/50/14/36/561501436.db2.gz JWXKGSITWDQYNP-DOTOQJQBSA-N 1 0 360.458 2.001 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000283112057 551313582 /nfs/dbraw/zinc/31/35/82/551313582.db2.gz MJWMMZRJJFOGIL-NWDGAFQWSA-N 1 0 367.402 2.109 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000497696235 561506666 /nfs/dbraw/zinc/50/66/66/561506666.db2.gz LKMWDBKDGHAHPM-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000284345129 551529066 /nfs/dbraw/zinc/52/90/66/551529066.db2.gz NOBKABDCXIZMCK-UHFFFAOYSA-N 1 0 356.220 2.443 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H]1c1ccccc1 ZINC000284375111 551535653 /nfs/dbraw/zinc/53/56/53/551535653.db2.gz LMMAGWPOSDGYRQ-NVXWUHKLSA-N 1 0 358.373 2.491 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000284412475 551543873 /nfs/dbraw/zinc/54/38/73/551543873.db2.gz NYIUPZVFPMLVEO-ZBEGNZNMSA-N 1 0 362.405 2.405 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@H]1C ZINC000498552937 561528055 /nfs/dbraw/zinc/52/80/55/561528055.db2.gz DGIFDMQJZGQNJY-CHWSQXEVSA-N 1 0 372.429 2.039 20 5 FEBDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059826 551698289 /nfs/dbraw/zinc/69/82/89/551698289.db2.gz IULISFQZXWAQCI-ZDUSSCGKSA-N 1 0 357.414 2.259 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285165478 551713838 /nfs/dbraw/zinc/71/38/38/551713838.db2.gz ATCPQXFBELHSDJ-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285493886 551765404 /nfs/dbraw/zinc/76/54/04/551765404.db2.gz IWLDOBMQHUBKCB-YOEHRIQHSA-N 1 0 358.442 2.043 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285574178 551776983 /nfs/dbraw/zinc/77/69/83/551776983.db2.gz NZCXNTFXXIYOLN-DZGCQCFKSA-N 1 0 362.430 2.101 20 5 FEBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888049 551823550 /nfs/dbraw/zinc/82/35/50/551823550.db2.gz JVSLXEFWAMOBBU-ZOBUZTSGSA-N 1 0 352.431 2.350 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000286190130 551859368 /nfs/dbraw/zinc/85/93/68/551859368.db2.gz AZYOFSNLECFUKI-INIZCTEOSA-N 1 0 373.482 2.448 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000286313285 551872768 /nfs/dbraw/zinc/87/27/68/551872768.db2.gz IUDATLCEBCKFTM-AFYXXPPBSA-N 1 0 359.426 2.320 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286738565 551920640 /nfs/dbraw/zinc/92/06/40/551920640.db2.gz OJBQXNHTWXJXOV-OCCSQVGLSA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286750518 551922145 /nfs/dbraw/zinc/92/21/45/551922145.db2.gz PBWLIKQPWBEKRX-DGCLKSJQSA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286878790 551935950 /nfs/dbraw/zinc/93/59/50/551935950.db2.gz ZFVJLWLXUICSSZ-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954771 551944344 /nfs/dbraw/zinc/94/43/44/551944344.db2.gz HOZLICXRFSCCOM-STQMWFEESA-N 1 0 356.444 2.469 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000287066342 551959159 /nfs/dbraw/zinc/95/91/59/551959159.db2.gz JXPXVTRBGIMJKY-DOMZBBRYSA-N 1 0 364.421 2.499 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000287258603 551982008 /nfs/dbraw/zinc/98/20/08/551982008.db2.gz KQRRKDQIJBTZSU-CQSZACIVSA-N 1 0 362.430 2.397 20 5 FEBDRO C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498505 552011847 /nfs/dbraw/zinc/01/18/47/552011847.db2.gz ULSNAUFEYPSECU-WCQYABFASA-N 1 0 353.806 2.183 20 5 FEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000499380993 561550048 /nfs/dbraw/zinc/55/00/48/561550048.db2.gz BWEIUPWUYOVBDM-UHFFFAOYSA-N 1 0 366.368 2.416 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000499656969 561555479 /nfs/dbraw/zinc/55/54/79/561555479.db2.gz IXWCWIRBYKOYFZ-HNNXBMFYSA-N 1 0 351.451 2.179 20 5 FEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000289304948 552298177 /nfs/dbraw/zinc/29/81/77/552298177.db2.gz GZMUCBBRIXXSNT-SFHVURJKSA-N 1 0 363.458 2.389 20 5 FEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289531301 552336477 /nfs/dbraw/zinc/33/64/77/552336477.db2.gz WCFQOWMUWLLOEE-UHFFFAOYSA-N 1 0 372.416 2.266 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289868870 552392188 /nfs/dbraw/zinc/39/21/88/552392188.db2.gz RDVXWFQENNUMSN-JQFCIGGWSA-N 1 0 350.415 2.224 20 5 FEBDRO CC[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290083892 552424649 /nfs/dbraw/zinc/42/46/49/552424649.db2.gz VGIPNABBIKNQBO-UHFFFAOYSA-N 1 0 350.156 2.014 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000290292342 552455081 /nfs/dbraw/zinc/45/50/81/552455081.db2.gz DIOOKMFCYQDKCB-ZDUSSCGKSA-N 1 0 362.386 2.273 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500842880 561584091 /nfs/dbraw/zinc/58/40/91/561584091.db2.gz LYZASFASCSNTQT-PBHICJAKSA-N 1 0 371.441 2.442 20 5 FEBDRO NC(=O)c1ccnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290589678 552503037 /nfs/dbraw/zinc/50/30/37/552503037.db2.gz XHRMHEZTAHLLRR-LBPRGKRZSA-N 1 0 361.427 2.399 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291526530 552634320 /nfs/dbraw/zinc/63/43/20/552634320.db2.gz MWOKJTWTVVVZQX-SNVBAGLBSA-N 1 0 362.213 2.352 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291777517 552660654 /nfs/dbraw/zinc/66/06/54/552660654.db2.gz MBRASBMQXVEWEZ-AWEZNQCLSA-N 1 0 359.386 2.076 20 5 FEBDRO O=C(CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291847150 552667795 /nfs/dbraw/zinc/66/77/95/552667795.db2.gz OWXVIZDJMHTOAI-SNVBAGLBSA-N 1 0 361.320 2.012 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291855769 552668977 /nfs/dbraw/zinc/66/89/77/552668977.db2.gz HOZWSQDJGHHJJT-UHFFFAOYSA-N 1 0 364.446 2.240 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292077165 552691274 /nfs/dbraw/zinc/69/12/74/552691274.db2.gz FHDCDPRKAZJLNG-CVEARBPZSA-N 1 0 350.415 2.083 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292098611 552693620 /nfs/dbraw/zinc/69/36/20/552693620.db2.gz UECRUYGAPOXZLE-CYBMUJFWSA-N 1 0 353.444 2.090 20 5 FEBDRO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292154867 552698985 /nfs/dbraw/zinc/69/89/85/552698985.db2.gz KHZVXRDFLRAXHY-MAUKXSAKSA-N 1 0 363.458 2.141 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293598527 552839028 /nfs/dbraw/zinc/83/90/28/552839028.db2.gz BPZGYAGSGCVDGR-SFHVURJKSA-N 1 0 356.382 2.016 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000293710255 552849309 /nfs/dbraw/zinc/84/93/09/552849309.db2.gz DSCWGUUVPINUFY-UHFFFAOYSA-N 1 0 371.459 2.148 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000293976787 552872501 /nfs/dbraw/zinc/87/25/01/552872501.db2.gz VEUCHUWZUNPRHT-UONOGXRCSA-N 1 0 353.806 2.183 20 5 FEBDRO C[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C[NH+](C)C ZINC000294349584 552899307 /nfs/dbraw/zinc/89/93/07/552899307.db2.gz UJGDTQNASPKMCT-OAHLLOKOSA-N 1 0 351.450 2.469 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000294530562 552913431 /nfs/dbraw/zinc/91/34/31/552913431.db2.gz QYPLHQFLTXNRDH-UHFFFAOYSA-N 1 0 351.378 2.347 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000295555180 553025506 /nfs/dbraw/zinc/02/55/06/553025506.db2.gz PUTZKJWWZSBFRF-GOEBONIOSA-N 1 0 365.455 2.062 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295619729 553034895 /nfs/dbraw/zinc/03/48/95/553034895.db2.gz WFFXHPVWIKVRMD-CYBMUJFWSA-N 1 0 355.822 2.215 20 5 FEBDRO Cc1nc(N(C)C2CC[NH+](CCc3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000295619809 553035058 /nfs/dbraw/zinc/03/50/58/553035058.db2.gz WGLNPKJLWOSDFH-UHFFFAOYSA-N 1 0 356.430 2.232 20 5 FEBDRO Cn1ccnc1[C@@H]1N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1(C)C ZINC000296051965 553096527 /nfs/dbraw/zinc/09/65/27/553096527.db2.gz ZEXCPEBLSJIHAN-AWEZNQCLSA-N 1 0 358.354 2.280 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146763 553111810 /nfs/dbraw/zinc/11/18/10/553111810.db2.gz JYOYDIXBCCTGBQ-CSMYWGQOSA-N 1 0 363.414 2.335 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000296350596 553146231 /nfs/dbraw/zinc/14/62/31/553146231.db2.gz VACRNFZIIBTXEZ-CYBMUJFWSA-N 1 0 374.441 2.038 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000502619233 561622181 /nfs/dbraw/zinc/62/21/81/561622181.db2.gz CGHIKKMYCCHHHP-FRRDWIJNSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296880747 553224250 /nfs/dbraw/zinc/22/42/50/553224250.db2.gz VACAEGXQHKVSNZ-CQSZACIVSA-N 1 0 364.402 2.004 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c1OC ZINC000297292413 553274396 /nfs/dbraw/zinc/27/43/96/553274396.db2.gz XGKFAJJJNAOXBC-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000297736729 553332178 /nfs/dbraw/zinc/33/21/78/553332178.db2.gz CVQPJDJQFHXCAP-UHFFFAOYSA-N 1 0 350.419 2.077 20 5 FEBDRO CCOCCN1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297782448 553337996 /nfs/dbraw/zinc/33/79/96/553337996.db2.gz WYEUIYZGWCJAIY-AWEZNQCLSA-N 1 0 350.419 2.020 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000297805030 553340994 /nfs/dbraw/zinc/34/09/94/553340994.db2.gz ICEXKYJYLXBBDM-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000297882450 553351970 /nfs/dbraw/zinc/35/19/70/553351970.db2.gz NNNCYYYBARAJSG-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000297959386 553362615 /nfs/dbraw/zinc/36/26/15/553362615.db2.gz UHYSREHVVJDUCB-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000297960981 553363025 /nfs/dbraw/zinc/36/30/25/553363025.db2.gz ULTNBCFESMZXPU-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000298065177 553379582 /nfs/dbraw/zinc/37/95/82/553379582.db2.gz JDACBFNCCUYXME-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO Cc1cnn(CCCCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000298097239 553383376 /nfs/dbraw/zinc/38/33/76/553383376.db2.gz NDBAUVHUEIPRKZ-UHFFFAOYSA-N 1 0 358.446 2.487 20 5 FEBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000298546617 553438595 /nfs/dbraw/zinc/43/85/95/553438595.db2.gz NRZKFGLBSRACCQ-QGZVFWFLSA-N 1 0 351.403 2.481 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000298709302 553461897 /nfs/dbraw/zinc/46/18/97/553461897.db2.gz HHBWHYKASYXRON-UHFFFAOYSA-N 1 0 370.475 2.178 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000298918318 553489327 /nfs/dbraw/zinc/48/93/27/553489327.db2.gz BJYNTJOJAVWXBX-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000298949170 553493752 /nfs/dbraw/zinc/49/37/52/553493752.db2.gz OLGXDOZNMABMPL-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299326462 553548429 /nfs/dbraw/zinc/54/84/29/553548429.db2.gz IHKQTEYQPSDRDF-UHFFFAOYSA-N 1 0 352.341 2.405 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000299343049 553550727 /nfs/dbraw/zinc/55/07/27/553550727.db2.gz OVMFOOOKWYCTPD-UGSOOPFHSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000299455179 553565572 /nfs/dbraw/zinc/56/55/72/553565572.db2.gz UVOWIFSVMGIUJM-OAHLLOKOSA-N 1 0 359.430 2.309 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccc(N(C)C3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000299536727 553577582 /nfs/dbraw/zinc/57/75/82/553577582.db2.gz NHLONGWRXQKSQS-UHFFFAOYSA-N 1 0 372.429 2.409 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000299548217 553579589 /nfs/dbraw/zinc/57/95/89/553579589.db2.gz FWHHWNQDOVWKNQ-CABCVRRESA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000299581807 553584559 /nfs/dbraw/zinc/58/45/59/553584559.db2.gz HSFSTMPUJBBBHC-GDBMZVCRSA-N 1 0 374.441 2.093 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CCCCC1 ZINC000301359536 553645060 /nfs/dbraw/zinc/64/50/60/553645060.db2.gz LMZUIQOUBYITEE-OAHLLOKOSA-N 1 0 370.475 2.165 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NCCC[N@@H+]3CCc4ccccc4C3)nn21 ZINC000301938398 553693186 /nfs/dbraw/zinc/69/31/86/553693186.db2.gz SNFZHMKUFYXOOT-UHFFFAOYSA-N 1 0 352.398 2.498 20 5 FEBDRO COC(=O)c1cnc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000302669176 553725132 /nfs/dbraw/zinc/72/51/32/553725132.db2.gz CXMYLMHRPQOJSY-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000303088727 553743999 /nfs/dbraw/zinc/74/39/99/553743999.db2.gz YSFGAYYGCPDWIK-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000507839263 561742893 /nfs/dbraw/zinc/74/28/93/561742893.db2.gz CKJAEBDMACQUKC-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372218 561760348 /nfs/dbraw/zinc/76/03/48/561760348.db2.gz XFDVYBIQNXRUMJ-UKRRQHHQSA-N 1 0 366.437 2.205 20 5 FEBDRO COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000508372219 561760350 /nfs/dbraw/zinc/76/03/50/561760350.db2.gz XFDVYBIQNXRUMJ-ZFWWWQNUSA-N 1 0 366.437 2.205 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000331073236 554209639 /nfs/dbraw/zinc/20/96/39/554209639.db2.gz UGTRLFWNCZUELF-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000331910121 554344631 /nfs/dbraw/zinc/34/46/31/554344631.db2.gz MUAZIQSDVODOCY-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000332216183 554402948 /nfs/dbraw/zinc/40/29/48/554402948.db2.gz IQPJHEPKWIFHMI-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332251771 554410596 /nfs/dbraw/zinc/41/05/96/554410596.db2.gz BUUJIZBXUYQWFQ-GJZGRUSLSA-N 1 0 353.444 2.062 20 5 FEBDRO C[C@H]1C[C@@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000510200167 561828073 /nfs/dbraw/zinc/82/80/73/561828073.db2.gz WYBODKOKWRCCCN-DOTOQJQBSA-N 1 0 371.441 2.208 20 5 FEBDRO O=[N+]([O-])c1ncn(Cc2nc(-c3ccccc3C[NH+]3CCCCC3)no2)n1 ZINC000349816855 554744139 /nfs/dbraw/zinc/74/41/39/554744139.db2.gz RZFOSYJQCBMKFW-UHFFFAOYSA-N 1 0 369.385 2.271 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000511327474 561865370 /nfs/dbraw/zinc/86/53/70/561865370.db2.gz PKQCMLBKJOYQAV-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO COc1ccc(C[C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408741 554874265 /nfs/dbraw/zinc/87/42/65/554874265.db2.gz YTJHHENMADNXIP-SJLPKXTDSA-N 1 0 374.441 2.116 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000361776391 554934247 /nfs/dbraw/zinc/93/42/47/554934247.db2.gz UFOPNAWTHRBALN-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831564 554937015 /nfs/dbraw/zinc/93/70/15/554937015.db2.gz VAXSTZVEDMQZBR-BBRMVZONSA-N 1 0 369.425 2.411 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177395 554954304 /nfs/dbraw/zinc/95/43/04/554954304.db2.gz JVLPVTQMBCZFRR-ZFWWWQNUSA-N 1 0 361.377 2.195 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363063115 555021882 /nfs/dbraw/zinc/02/18/82/555021882.db2.gz VHZZYTSKFXTXJO-UHFFFAOYSA-N 1 0 369.849 2.362 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000511811192 561881245 /nfs/dbraw/zinc/88/12/45/561881245.db2.gz WULBQLYCROVIQI-UHFFFAOYSA-N 1 0 373.413 2.247 20 5 FEBDRO CN(C(=O)CN1CCC[C@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000363213115 555055203 /nfs/dbraw/zinc/05/52/03/555055203.db2.gz JLCMYHQZACMHHV-AWEZNQCLSA-N 1 0 357.414 2.171 20 5 FEBDRO NC(=O)c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c([N+](=O)[O-])c1 ZINC000363407566 555097878 /nfs/dbraw/zinc/09/78/78/555097878.db2.gz ZWZDWTCHNXTKLX-HNNXBMFYSA-N 1 0 369.425 2.413 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000363641094 555153148 /nfs/dbraw/zinc/15/31/48/555153148.db2.gz JHVMTTFPPIRNFJ-ZDUSSCGKSA-N 1 0 358.402 2.230 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000363873186 555203727 /nfs/dbraw/zinc/20/37/27/555203727.db2.gz FKFYGGIZDMSZRF-UHFFFAOYSA-N 1 0 355.398 2.121 20 5 FEBDRO O=C(C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000364042488 555238804 /nfs/dbraw/zinc/23/88/04/555238804.db2.gz FDXCCEGOHFGMDR-INIZCTEOSA-N 1 0 366.421 2.444 20 5 FEBDRO COc1cc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000364062239 555243038 /nfs/dbraw/zinc/24/30/38/555243038.db2.gz GGSGJYUBKFCUNJ-QIIPPGSGSA-N 1 0 367.421 2.426 20 5 FEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000364119931 555253948 /nfs/dbraw/zinc/25/39/48/555253948.db2.gz KUVNNHXTWLUMGZ-UHFFFAOYSA-N 1 0 365.386 2.334 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322089 555290896 /nfs/dbraw/zinc/29/08/96/555290896.db2.gz DMDYZVXFFHDKCE-KBPBESRZSA-N 1 0 352.387 2.016 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364432148 555313002 /nfs/dbraw/zinc/31/30/02/555313002.db2.gz ASMFURAKINJFBR-JKSUJKDBSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364440678 555314976 /nfs/dbraw/zinc/31/49/76/555314976.db2.gz WNTOTYUCWGMXTF-UHFFFAOYSA-N 1 0 363.462 2.261 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364508900 555326717 /nfs/dbraw/zinc/32/67/17/555326717.db2.gz LFSREYRDUUCDHS-MRXNPFEDSA-N 1 0 353.386 2.034 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755079 555394496 /nfs/dbraw/zinc/39/44/96/555394496.db2.gz AJJYFYPSHBHWSJ-FRFSOERESA-N 1 0 364.402 2.187 20 5 FEBDRO Cc1nc(C2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000365108041 555487107 /nfs/dbraw/zinc/48/71/07/555487107.db2.gz AKDGYYAWDUCBNV-NSHDSACASA-N 1 0 358.402 2.228 20 5 FEBDRO CN1C(=O)CSC12CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365135735 555492735 /nfs/dbraw/zinc/49/27/35/555492735.db2.gz JLLYHRPWABAZMM-UHFFFAOYSA-N 1 0 366.399 2.000 20 5 FEBDRO CCOc1cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190195 555506161 /nfs/dbraw/zinc/50/61/61/555506161.db2.gz FVXIQGLSKXERAQ-QGZVFWFLSA-N 1 0 362.474 2.205 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000365219040 555513856 /nfs/dbraw/zinc/51/38/56/555513856.db2.gz HLOMIHDYTGXHPW-JXXFODFXSA-N 1 0 372.421 2.220 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000513007919 561922413 /nfs/dbraw/zinc/92/24/13/561922413.db2.gz YNOXCGWQPXGYKI-IDKBZEPQSA-N 1 0 367.471 2.402 20 5 FEBDRO CC[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365416487 555569234 /nfs/dbraw/zinc/56/92/34/555569234.db2.gz LAUMRQCLDACCKN-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000365427273 555572363 /nfs/dbraw/zinc/57/23/63/555572363.db2.gz ZAKSVXKTOMERRV-UKRRQHHQSA-N 1 0 365.434 2.123 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000365524067 555598536 /nfs/dbraw/zinc/59/85/36/555598536.db2.gz SAEWFVYURSOVMC-UHFFFAOYSA-N 1 0 358.402 2.016 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365542654 555604135 /nfs/dbraw/zinc/60/41/35/555604135.db2.gz ATAYXVVNSNCWPR-GXFFZTMASA-N 1 0 360.336 2.044 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366565356 555877408 /nfs/dbraw/zinc/87/74/08/555877408.db2.gz UQEFCFNDZHIOTA-ZFWWWQNUSA-N 1 0 365.434 2.123 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000366690472 555910014 /nfs/dbraw/zinc/91/00/14/555910014.db2.gz ASZBWOOTXGQNCD-GASCZTMLSA-N 1 0 357.414 2.104 20 5 FEBDRO O=c1cc(C[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763327 555927779 /nfs/dbraw/zinc/92/77/79/555927779.db2.gz ZDQSZFREDLRQTB-IRXDYDNUSA-N 1 0 364.401 2.036 20 5 FEBDRO Cn1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514667899 561972870 /nfs/dbraw/zinc/97/28/70/561972870.db2.gz QBHFQAMULUSWCQ-IBGZPJMESA-N 1 0 369.425 2.211 20 5 FEBDRO C[N@H+](C[C@H]1CC12CCN(C(=O)Nc1ccncc1[N+](=O)[O-])CC2)C1CC1 ZINC000367794614 556141133 /nfs/dbraw/zinc/14/11/33/556141133.db2.gz UQVKEUFLJOJPIX-CYBMUJFWSA-N 1 0 359.430 2.140 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367917563 556171755 /nfs/dbraw/zinc/17/17/55/556171755.db2.gz MTLMBJHQLXWYOP-HUUCEWRRSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(CC[NH2+][C@H](CO)Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000515383290 562008374 /nfs/dbraw/zinc/00/83/74/562008374.db2.gz APTXSVXHHZZBRV-HNNXBMFYSA-N 1 0 361.373 2.256 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000369015269 556476450 /nfs/dbraw/zinc/47/64/50/556476450.db2.gz DSGGFHCERYVRAI-OAHLLOKOSA-N 1 0 350.415 2.227 20 5 FEBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000369198651 556533565 /nfs/dbraw/zinc/53/35/65/556533565.db2.gz YCLRVGPSGFGZSU-WBMJQRKESA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000369537471 556624614 /nfs/dbraw/zinc/62/46/14/556624614.db2.gz RAOKUOIQSIVFOZ-KBPBESRZSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369651711 556659125 /nfs/dbraw/zinc/65/91/25/556659125.db2.gz ZTOIIJBCEBNKCU-UHFFFAOYSA-N 1 0 371.441 2.250 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000369844774 556710656 /nfs/dbraw/zinc/71/06/56/556710656.db2.gz FQGOMMQAHXSWCS-WPKBUWHJSA-N 1 0 360.414 2.274 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000370062018 556770557 /nfs/dbraw/zinc/77/05/57/556770557.db2.gz WVLWNMZRACBNRU-LBPRGKRZSA-N 1 0 372.429 2.287 20 5 FEBDRO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000370379918 556855643 /nfs/dbraw/zinc/85/56/43/556855643.db2.gz GBKFUDDUGQSNGJ-OAHLLOKOSA-N 1 0 364.450 2.014 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370545264 556904847 /nfs/dbraw/zinc/90/48/47/556904847.db2.gz CVLLOSASCCNMFB-OAHLLOKOSA-N 1 0 363.462 2.294 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4cccc([N+](=O)[O-])c4C)C[C@H]3C2)no1 ZINC000370744678 556955824 /nfs/dbraw/zinc/95/58/24/556955824.db2.gz IGPNZMBZZHUOPA-HOTGVXAUSA-N 1 0 371.441 2.412 20 5 FEBDRO O=C(Nc1cccnc1)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370997266 557040026 /nfs/dbraw/zinc/04/00/26/557040026.db2.gz HNBMSSPFDACTPK-GOSISDBHSA-N 1 0 370.409 2.374 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517235585 562081745 /nfs/dbraw/zinc/08/17/45/562081745.db2.gz PCPJMGDXMSCBFX-NWDGAFQWSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] ZINC000371479279 557194151 /nfs/dbraw/zinc/19/41/51/557194151.db2.gz FLWHXLZUANMQDU-LXIYXOSZSA-N 1 0 360.414 2.274 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000517736022 562096858 /nfs/dbraw/zinc/09/68/58/562096858.db2.gz FEZKRPJHCQQXQR-CQSZACIVSA-N 1 0 351.403 2.431 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000371783049 557292364 /nfs/dbraw/zinc/29/23/64/557292364.db2.gz FHSAKYVJPCTKIF-SZEUEKNRSA-N 1 0 359.426 2.368 20 5 FEBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844063 557309584 /nfs/dbraw/zinc/30/95/84/557309584.db2.gz IBFNTICINMVVER-GOSISDBHSA-N 1 0 374.485 2.398 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000518756479 562117656 /nfs/dbraw/zinc/11/76/56/562117656.db2.gz NKASZXQCBTVXDR-XMZIXOGTSA-N 1 0 351.403 2.118 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286411 557430098 /nfs/dbraw/zinc/43/00/98/557430098.db2.gz ANZXENKUPKBPQE-SJLPKXTDSA-N 1 0 374.441 2.485 20 5 FEBDRO CSc1cccc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372549869 557500867 /nfs/dbraw/zinc/50/08/67/557500867.db2.gz ARRGZYCLOXFAOK-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712495 557544335 /nfs/dbraw/zinc/54/43/35/557544335.db2.gz GHJPMZQHZWSZBH-KRWDZBQOSA-N 1 0 355.398 2.239 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC000372770149 557559363 /nfs/dbraw/zinc/55/93/63/557559363.db2.gz RDQHZAVCBBVFSS-INIZCTEOSA-N 1 0 355.442 2.359 20 5 FEBDRO CCOc1cc(C[NH+]2CCC3(CC2)SCC(=O)N3C)ccc1[N+](=O)[O-] ZINC000372811776 557567021 /nfs/dbraw/zinc/56/70/21/557567021.db2.gz KFODMDQIQDIJGT-UHFFFAOYSA-N 1 0 365.455 2.491 20 5 FEBDRO [NH3+]CCc1cccc2c1N(S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000372950956 557595325 /nfs/dbraw/zinc/59/53/25/557595325.db2.gz PJWFJXWLESRDLW-UHFFFAOYSA-N 1 0 361.423 2.238 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372958061 557597261 /nfs/dbraw/zinc/59/72/61/557597261.db2.gz BPPYEFSJIQHXQW-GOEBONIOSA-N 1 0 358.442 2.022 20 5 FEBDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000373207218 557649884 /nfs/dbraw/zinc/64/98/84/557649884.db2.gz COTXNAPNLOQNTA-SCTDSRPQSA-N 1 0 369.425 2.315 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000373609116 557728668 /nfs/dbraw/zinc/72/86/68/557728668.db2.gz GBRDQLPUQAJKDB-SJLPKXTDSA-N 1 0 355.398 2.124 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000373723489 557745378 /nfs/dbraw/zinc/74/53/78/557745378.db2.gz JVUAZLZWRHZAED-JKSUJKDBSA-N 1 0 353.444 2.049 20 5 FEBDRO CCCn1nccc1C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000374286399 557857783 /nfs/dbraw/zinc/85/77/83/557857783.db2.gz FWCPOVBLEBSEJR-UHFFFAOYSA-N 1 0 359.430 2.243 20 5 FEBDRO CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347996 557869222 /nfs/dbraw/zinc/86/92/22/557869222.db2.gz DTUMYXCWTPOYOA-AWEZNQCLSA-N 1 0 365.386 2.199 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000374632996 557909535 /nfs/dbraw/zinc/90/95/35/557909535.db2.gz TVSACTSTCQBJOC-OWCLPIDISA-N 1 0 358.442 2.394 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375273653 558002553 /nfs/dbraw/zinc/00/25/53/558002553.db2.gz BRASWEVJVSZRSS-YJBOKZPZSA-N 1 0 369.425 2.458 20 5 FEBDRO Cc1n[nH]cc1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375388501 558019207 /nfs/dbraw/zinc/01/92/07/558019207.db2.gz PVTVOCVQIBBLGW-INIZCTEOSA-N 1 0 360.414 2.246 20 5 FEBDRO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394491 558020191 /nfs/dbraw/zinc/02/01/91/558020191.db2.gz UHPHUBDRSKPCIA-GOEBONIOSA-N 1 0 369.425 2.406 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000375720708 558072325 /nfs/dbraw/zinc/07/23/25/558072325.db2.gz SALXMBXBADRDSC-CQSZACIVSA-N 1 0 352.416 2.126 20 5 FEBDRO C[C@H](C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171213 558136409 /nfs/dbraw/zinc/13/64/09/558136409.db2.gz INQZTSOAXHFVEE-YDHLFZDLSA-N 1 0 365.405 2.159 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000376211174 558141696 /nfs/dbraw/zinc/14/16/96/558141696.db2.gz PELZBZKCPMWZIZ-HNNXBMFYSA-N 1 0 360.458 2.465 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC[NH2+]1 ZINC000377076257 558260998 /nfs/dbraw/zinc/26/09/98/558260998.db2.gz FNVVGOURGNLFAT-FDZBUTDGSA-N 1 0 372.469 2.383 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000522168057 562193107 /nfs/dbraw/zinc/19/31/07/562193107.db2.gz ZTOPBKSHORXPQP-AWEZNQCLSA-N 1 0 357.414 2.241 20 5 FEBDRO CCCC(=O)N1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377445411 558342355 /nfs/dbraw/zinc/34/23/55/558342355.db2.gz QWXIGHDJYGZWPN-AWEZNQCLSA-N 1 0 362.430 2.256 20 5 FEBDRO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512635 558354915 /nfs/dbraw/zinc/35/49/15/558354915.db2.gz OKZCEMHJMZAPDH-IPKOWEFYSA-N 1 0 361.398 2.056 20 5 FEBDRO NC(=O)c1ccc(CN2CCC3(C2)Oc2ccccc2O3)c([N+](=O)[O-])c1 ZINC000377524261 558357224 /nfs/dbraw/zinc/35/72/24/558357224.db2.gz MAQCIJMKZZLOSK-UHFFFAOYSA-N 1 0 355.350 2.067 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000377639782 558383795 /nfs/dbraw/zinc/38/37/95/558383795.db2.gz FZKMXTYFTXZVJX-UKRRQHHQSA-N 1 0 351.357 2.142 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)C ZINC000522520802 562199393 /nfs/dbraw/zinc/19/93/93/562199393.db2.gz HGVVJIZSEYHGJC-OAHLLOKOSA-N 1 0 351.403 2.420 20 5 FEBDRO COc1cc(CN2CCC[C@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC ZINC000377703626 558401247 /nfs/dbraw/zinc/40/12/47/558401247.db2.gz VMGLBXQSJHDTQX-LBPRGKRZSA-N 1 0 373.413 2.364 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cccc1[N+](=O)[O-] ZINC000378249607 558511525 /nfs/dbraw/zinc/51/15/25/558511525.db2.gz LDLLDHDXZLQDEW-SFHVURJKSA-N 1 0 374.485 2.073 20 5 FEBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000378324797 558530048 /nfs/dbraw/zinc/53/00/48/558530048.db2.gz APPZEWUJVAGCCO-UHFFFAOYSA-N 1 0 355.394 2.303 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000525065845 562240098 /nfs/dbraw/zinc/24/00/98/562240098.db2.gz XIUUHIILWXHLEN-GFCCVEGCSA-N 1 0 351.403 2.072 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105927 562240535 /nfs/dbraw/zinc/24/05/35/562240535.db2.gz BYPVXSXDDJIIMZ-VHSXEESVSA-N 1 0 373.356 2.417 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105001 562240564 /nfs/dbraw/zinc/24/05/64/562240564.db2.gz VCHAPVNQXXSJQC-RYUDHWBXSA-N 1 0 351.403 2.215 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000411262825 558862963 /nfs/dbraw/zinc/86/29/63/558862963.db2.gz IJHSLGGSMLDLGM-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1F ZINC000411516974 558908666 /nfs/dbraw/zinc/90/86/66/558908666.db2.gz KYPYEIZQNXDTQG-ZDUSSCGKSA-N 1 0 365.405 2.372 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000411621444 558930828 /nfs/dbraw/zinc/93/08/28/558930828.db2.gz QLZMQMPALAYTFV-HEHGZKQESA-N 1 0 365.430 2.413 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525809896 562255935 /nfs/dbraw/zinc/25/59/35/562255935.db2.gz YSJANGBJMOGNDP-HNNXBMFYSA-N 1 0 364.446 2.347 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411897601 558984471 /nfs/dbraw/zinc/98/44/71/558984471.db2.gz WFACCTDZDDHZAF-XLIONFOSSA-N 1 0 367.405 2.386 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1F ZINC000412100890 559013853 /nfs/dbraw/zinc/01/38/53/559013853.db2.gz IUMPPUNAZIVAEZ-ZDUSSCGKSA-N 1 0 365.405 2.372 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000412108893 559014514 /nfs/dbraw/zinc/01/45/14/559014514.db2.gz OBZGHUQPDFCPCB-AYOQOUSVSA-N 1 0 373.453 2.269 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158605 559017462 /nfs/dbraw/zinc/01/74/62/559017462.db2.gz IBDYPVAFBTWPIX-STQMWFEESA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1F ZINC000412188780 559019105 /nfs/dbraw/zinc/01/91/05/559019105.db2.gz CAMDFCMARCMNJS-TZMCWYRMSA-N 1 0 365.405 2.228 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412206857 559020048 /nfs/dbraw/zinc/02/00/48/559020048.db2.gz UASTYWVOADTYPU-LFDJNIOPSA-N 1 0 373.453 2.408 20 5 FEBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413053695 559073282 /nfs/dbraw/zinc/07/32/82/559073282.db2.gz KQBQXXAYCCRZBV-UHFFFAOYSA-N 1 0 361.368 2.448 20 5 FEBDRO C[N@H+](CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1)Cc1ccccc1 ZINC000413121510 559080286 /nfs/dbraw/zinc/08/02/86/559080286.db2.gz GMANIRNALAGJMV-UHFFFAOYSA-N 1 0 373.432 2.383 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000413336846 559099744 /nfs/dbraw/zinc/09/97/44/559099744.db2.gz ZFUQKKRAHNLPOD-UHFFFAOYSA-N 1 0 353.394 2.228 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000413503554 559112513 /nfs/dbraw/zinc/11/25/13/559112513.db2.gz PDNIICPCZCVFHR-OCCSQVGLSA-N 1 0 367.421 2.474 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413711040 559126087 /nfs/dbraw/zinc/12/60/87/559126087.db2.gz ISFDLGBRSNOYEV-ZWKOTPCHSA-N 1 0 374.485 2.231 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413847691 559134752 /nfs/dbraw/zinc/13/47/52/559134752.db2.gz UYKBEZUHHIWEKJ-ZWKOTPCHSA-N 1 0 374.485 2.231 20 5 FEBDRO COCCNC(=O)C1([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187019 559152217 /nfs/dbraw/zinc/15/22/17/559152217.db2.gz PVMCLYKGNXMLMR-ZBFHGGJFSA-N 1 0 361.442 2.191 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414760076 559185824 /nfs/dbraw/zinc/18/58/24/559185824.db2.gz PWQVBLDTTQHNLZ-NSHDSACASA-N 1 0 352.391 2.205 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415692605 559262508 /nfs/dbraw/zinc/26/25/08/559262508.db2.gz HHMQPBQZYUHFCC-UWVGGRQHSA-N 1 0 369.219 2.431 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415701748 559263542 /nfs/dbraw/zinc/26/35/42/559263542.db2.gz OOXYPAVTFOQALW-NXEZZACHSA-N 1 0 369.219 2.431 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415709111 559264091 /nfs/dbraw/zinc/26/40/91/559264091.db2.gz XXSVETCSAPGTGA-UHFFFAOYSA-N 1 0 363.462 2.309 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421559 559311884 /nfs/dbraw/zinc/31/18/84/559311884.db2.gz DHNVQINQFXDBJM-OLZOCXBDSA-N 1 0 353.444 2.115 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416666434 559328702 /nfs/dbraw/zinc/32/87/02/559328702.db2.gz WUMQEYJDTJMEEE-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000416668142 559328804 /nfs/dbraw/zinc/32/88/04/559328804.db2.gz ZORBCTUCKYKMIS-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000417044793 559345484 /nfs/dbraw/zinc/34/54/84/559345484.db2.gz QOHMLZYBGVTKKX-UONOGXRCSA-N 1 0 350.419 2.130 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417186405 559351993 /nfs/dbraw/zinc/35/19/93/559351993.db2.gz SWWHHRUZADQCRF-CQSZACIVSA-N 1 0 362.430 2.135 20 5 FEBDRO O=C(NCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)c1cnccn1 ZINC000417308000 559356821 /nfs/dbraw/zinc/35/68/21/559356821.db2.gz CKQHMRLNRBIPEZ-MRXNPFEDSA-N 1 0 355.398 2.172 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000417720882 559373927 /nfs/dbraw/zinc/37/39/27/559373927.db2.gz SLDOSPUNSXNUQO-AWEZNQCLSA-N 1 0 363.462 2.474 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000417720823 559373965 /nfs/dbraw/zinc/37/39/65/559373965.db2.gz SGWHUCOWXGZWCZ-CABCVRRESA-N 1 0 361.446 2.241 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418325540 559397467 /nfs/dbraw/zinc/39/74/67/559397467.db2.gz WXVFZPOONIUSGT-CQSZACIVSA-N 1 0 362.430 2.147 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418337061 559398040 /nfs/dbraw/zinc/39/80/40/559398040.db2.gz JBJQIUYSPOZHKF-AWEZNQCLSA-N 1 0 362.430 2.147 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418686954 559411193 /nfs/dbraw/zinc/41/11/93/559411193.db2.gz QEXSZVOHLSOOHU-RBUKOAKNSA-N 1 0 366.421 2.418 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419281371 559435089 /nfs/dbraw/zinc/43/50/89/559435089.db2.gz BDPLUGSXPQPCSC-GOEBONIOSA-N 1 0 366.368 2.138 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420199339 559476263 /nfs/dbraw/zinc/47/62/63/559476263.db2.gz MHGZFSLMKFMAHU-ZDUSSCGKSA-N 1 0 357.414 2.361 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420402332 559485650 /nfs/dbraw/zinc/48/56/50/559485650.db2.gz LZIUSHTVQKMVMP-OCCSQVGLSA-N 1 0 370.409 2.320 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000420433533 559487245 /nfs/dbraw/zinc/48/72/45/559487245.db2.gz ZESSRDJDCBYQBD-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420470569 559489408 /nfs/dbraw/zinc/48/94/08/559489408.db2.gz XBTCYADFMOKLIG-QGZVFWFLSA-N 1 0 363.439 2.277 20 5 FEBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420748370 559502121 /nfs/dbraw/zinc/50/21/21/559502121.db2.gz PVSLZTWJLONUCW-UHFFFAOYSA-N 1 0 361.851 2.399 20 5 FEBDRO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421700430 559549788 /nfs/dbraw/zinc/54/97/88/559549788.db2.gz DVSSJPKEHYQVCJ-SNVBAGLBSA-N 1 0 373.356 2.371 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422556089 559594832 /nfs/dbraw/zinc/59/48/32/559594832.db2.gz RWLNKUVRKSJLEZ-DYEKYZERSA-N 1 0 355.460 2.151 20 5 FEBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422716802 559604119 /nfs/dbraw/zinc/60/41/19/559604119.db2.gz VHZYXWBKXYLISS-LLVKDONJSA-N 1 0 357.360 2.393 20 5 FEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422734509 559604840 /nfs/dbraw/zinc/60/48/40/559604840.db2.gz SLBQDUBMOSHJKJ-LBPRGKRZSA-N 1 0 357.360 2.441 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081617 559618072 /nfs/dbraw/zinc/61/80/72/559618072.db2.gz DJMZHQFRFMHSML-HUUCEWRRSA-N 1 0 359.348 2.470 20 5 FEBDRO CCc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423210836 559622848 /nfs/dbraw/zinc/62/28/48/559622848.db2.gz XSAZFKYXTWLNMI-IBGZPJMESA-N 1 0 358.442 2.334 20 5 FEBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423608204 559633806 /nfs/dbraw/zinc/63/38/06/559633806.db2.gz KJXRGCQMZZUTRI-CABCVRRESA-N 1 0 357.414 2.130 20 5 FEBDRO Cn1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000423960615 559648058 /nfs/dbraw/zinc/64/80/58/559648058.db2.gz NFMWPOHJEKUPGW-INIZCTEOSA-N 1 0 357.414 2.243 20 5 FEBDRO Nc1c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc(F)cc1[N+](=O)[O-] ZINC000423980646 559648836 /nfs/dbraw/zinc/64/88/36/559648836.db2.gz UCBMIDRAYORUKZ-UHFFFAOYSA-N 1 0 365.390 2.492 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000424008394 559650722 /nfs/dbraw/zinc/65/07/22/559650722.db2.gz HXOJPYOLANKWSV-SJLPKXTDSA-N 1 0 361.442 2.191 20 5 FEBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424363858 559662108 /nfs/dbraw/zinc/66/21/08/559662108.db2.gz OXQWKBADMQPUCR-NXEZZACHSA-N 1 0 367.349 2.162 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000424415102 559663727 /nfs/dbraw/zinc/66/37/27/559663727.db2.gz ISQDXVRUOYCAJO-VXGBXAGGSA-N 1 0 350.375 2.081 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1SC ZINC000425057160 559685471 /nfs/dbraw/zinc/68/54/71/559685471.db2.gz MCIONXZFTGXAHE-SMDDNHRTSA-N 1 0 365.455 2.492 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000425075952 559686422 /nfs/dbraw/zinc/68/64/22/559686422.db2.gz FHIMOLHKHJBSTO-UHFFFAOYSA-N 1 0 364.431 2.492 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466535 559703748 /nfs/dbraw/zinc/70/37/48/559703748.db2.gz BEGDHFNTIPNEDS-RYUDHWBXSA-N 1 0 356.220 2.362 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427142988 559748970 /nfs/dbraw/zinc/74/89/70/559748970.db2.gz LJKCWLDDZYZXQB-GOSISDBHSA-N 1 0 361.442 2.241 20 5 FEBDRO COc1cccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428551207 559778066 /nfs/dbraw/zinc/77/80/66/559778066.db2.gz KAAJYLQNEBLGKP-OAHLLOKOSA-N 1 0 371.393 2.422 20 5 FEBDRO O=C1[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226500 559793278 /nfs/dbraw/zinc/79/32/78/559793278.db2.gz KUHYNZYOHGYBOC-SUMWQHHRSA-N 1 0 353.378 2.163 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429579431 559802035 /nfs/dbraw/zinc/80/20/35/559802035.db2.gz WWXWYSIKGCHXJK-HZMBPMFUSA-N 1 0 360.418 2.486 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429785450 559805674 /nfs/dbraw/zinc/80/56/74/559805674.db2.gz CEFDBSKLZARITM-WDEREUQCSA-N 1 0 360.336 2.269 20 5 FEBDRO CC[NH2+]CC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430591531 559823932 /nfs/dbraw/zinc/82/39/32/559823932.db2.gz KIEZEJRHXKUQAW-CYBMUJFWSA-N 1 0 364.446 2.252 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]Cc2ccccc21 ZINC000430933410 559830683 /nfs/dbraw/zinc/83/06/83/559830683.db2.gz ILONQWHGSOYBIE-UHFFFAOYSA-N 1 0 356.382 2.152 20 5 FEBDRO Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000431473841 559839887 /nfs/dbraw/zinc/83/98/87/559839887.db2.gz BXCXPNCMPQFBQJ-UHFFFAOYSA-N 1 0 352.410 2.446 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432321618 559856220 /nfs/dbraw/zinc/85/62/20/559856220.db2.gz HFVBEEASARNSOD-UHFFFAOYSA-N 1 0 354.838 2.239 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000432516017 559860125 /nfs/dbraw/zinc/86/01/25/559860125.db2.gz VIPFUHHVHMWGNV-JOYOIKCWSA-N 1 0 361.320 2.264 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000433058734 559870843 /nfs/dbraw/zinc/87/08/43/559870843.db2.gz RBOYOJBVLQMHCV-SFHVURJKSA-N 1 0 357.410 2.459 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433323237 559876942 /nfs/dbraw/zinc/87/69/42/559876942.db2.gz VPLNLHVAYXRDJN-XJKSGUPXSA-N 1 0 350.806 2.295 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000433575417 559884493 /nfs/dbraw/zinc/88/44/93/559884493.db2.gz MZXMFHZXHFNDSE-UHFFFAOYSA-N 1 0 360.458 2.225 20 5 FEBDRO C[N@H+](CCCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434678615 559905708 /nfs/dbraw/zinc/90/57/08/559905708.db2.gz IRMZYFXEKBPITK-UHFFFAOYSA-N 1 0 374.235 2.390 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435240373 559918573 /nfs/dbraw/zinc/91/85/73/559918573.db2.gz AVWVAQSVUGBXOO-CYBMUJFWSA-N 1 0 368.231 2.253 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435247345 559918871 /nfs/dbraw/zinc/91/88/71/559918871.db2.gz WEJXWPRJJKXBPD-ZWNOBZJWSA-N 1 0 353.806 2.368 20 5 FEBDRO Cn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435372367 559921695 /nfs/dbraw/zinc/92/16/95/559921695.db2.gz AFMZRJVPBUWTKL-UHFFFAOYSA-N 1 0 373.457 2.325 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436316184 559939650 /nfs/dbraw/zinc/93/96/50/559939650.db2.gz RBBWUOMKGKOMMX-LLVKDONJSA-N 1 0 361.368 2.447 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438064224 559973634 /nfs/dbraw/zinc/97/36/34/559973634.db2.gz FCKRWTLXHGTBES-UHFFFAOYSA-N 1 0 354.288 2.272 20 5 FEBDRO NC(=O)c1cccc(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000439100099 559988551 /nfs/dbraw/zinc/98/85/51/559988551.db2.gz LBRIIKBZTADAHL-UHFFFAOYSA-N 1 0 355.398 2.165 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000439159337 559989357 /nfs/dbraw/zinc/98/93/57/559989357.db2.gz XGFXWPZFHZRGDS-HLLBOEOZSA-N 1 0 350.415 2.083 20 5 FEBDRO CC1(C)[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]2CCCO[C@@H]21 ZINC000439623478 559998267 /nfs/dbraw/zinc/99/82/67/559998267.db2.gz RJNHZSLTRGSELI-HZMVEIRTSA-N 1 0 359.426 2.493 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000439638184 559998444 /nfs/dbraw/zinc/99/84/44/559998444.db2.gz VCSRUHHPLIKPMQ-LKTVYLICSA-N 1 0 351.403 2.334 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443865427 560094748 /nfs/dbraw/zinc/09/47/48/560094748.db2.gz FORNMSRBKHCFIZ-SFHVURJKSA-N 1 0 361.442 2.241 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CCSC1 ZINC000445894702 560136481 /nfs/dbraw/zinc/13/64/81/560136481.db2.gz RDOQOBNOZVTLGN-KRWDZBQOSA-N 1 0 364.471 2.100 20 5 FEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446110392 560139966 /nfs/dbraw/zinc/13/99/66/560139966.db2.gz ZZWMTLDKNLLONX-LLVKDONJSA-N 1 0 370.247 2.452 20 5 FEBDRO COCC[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOC1 ZINC000447400855 560161668 /nfs/dbraw/zinc/16/16/68/560161668.db2.gz SLTDKDFGAPZTFA-QGZVFWFLSA-N 1 0 351.403 2.017 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCN(c3cccnn3)CC2)n1 ZINC000447599521 560165112 /nfs/dbraw/zinc/16/51/12/560165112.db2.gz KEBZTBAELQTYPJ-JKSUJKDBSA-N 1 0 371.445 2.324 20 5 FEBDRO COc1ccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000449101649 560215908 /nfs/dbraw/zinc/21/59/08/560215908.db2.gz GFRBWNLPQSKNMH-UHFFFAOYSA-N 1 0 350.396 2.297 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450326854 560258830 /nfs/dbraw/zinc/25/88/30/560258830.db2.gz JCPGJQOHGFKVJJ-UHFFFAOYSA-N 1 0 357.414 2.108 20 5 FEBDRO Cc1nc(NCc2ccc(OCC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000450335915 560259129 /nfs/dbraw/zinc/25/91/29/560259129.db2.gz MXNLDBRFYKBOCN-UHFFFAOYSA-N 1 0 357.414 2.780 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000450701336 560270739 /nfs/dbraw/zinc/27/07/39/560270739.db2.gz VZEANMHTGGSJNX-CXAGYDPISA-N 1 0 355.398 2.151 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000450701339 560270847 /nfs/dbraw/zinc/27/08/47/560270847.db2.gz VZEANMHTGGSJNX-SUMWQHHRSA-N 1 0 355.398 2.151 20 5 FEBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000451648342 560319201 /nfs/dbraw/zinc/31/92/01/560319201.db2.gz FAQRDZFAIZMQNR-BRWVUGGUSA-N 1 0 354.451 2.212 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451763680 560327240 /nfs/dbraw/zinc/32/72/40/560327240.db2.gz SXJGBOZAYJOHDX-ZBFHGGJFSA-N 1 0 369.425 2.479 20 5 FEBDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452036255 560346888 /nfs/dbraw/zinc/34/68/88/560346888.db2.gz IMCBOZKSHTUOKQ-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452355160 560359743 /nfs/dbraw/zinc/35/97/43/560359743.db2.gz XBDCYQMGNAWPCO-HIFRSBDPSA-N 1 0 367.471 2.038 20 5 FEBDRO C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000452581820 560368439 /nfs/dbraw/zinc/36/84/39/560368439.db2.gz UNJDLACKDMGLES-LLVKDONJSA-N 1 0 353.369 2.358 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454085208 560427820 /nfs/dbraw/zinc/42/78/20/560427820.db2.gz FFABOZSCUMMMFB-GFCCVEGCSA-N 1 0 368.821 2.128 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000455098701 560470040 /nfs/dbraw/zinc/47/00/40/560470040.db2.gz LJWWPVYISHPWOO-CQSZACIVSA-N 1 0 361.402 2.437 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000455252344 560475607 /nfs/dbraw/zinc/47/56/07/560475607.db2.gz UINOANFLOLYYQX-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994610 560503899 /nfs/dbraw/zinc/50/38/99/560503899.db2.gz IABQTNGCGCMOTR-CZUORRHYSA-N 1 0 355.398 2.207 20 5 FEBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)CCC(F)(F)F ZINC000456048053 560505413 /nfs/dbraw/zinc/50/54/13/560505413.db2.gz UVWNWFDKMUTTBC-UHFFFAOYSA-N 1 0 363.340 2.036 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000456368124 560517707 /nfs/dbraw/zinc/51/77/07/560517707.db2.gz DULGHDOPJWVENI-CYBMUJFWSA-N 1 0 351.403 2.168 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000457197710 560555353 /nfs/dbraw/zinc/55/53/53/560555353.db2.gz JDSLOOWNEMCFKN-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[NH+](C)CC(C)(C)NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000457206038 560555797 /nfs/dbraw/zinc/55/57/97/560555797.db2.gz AOMCWLASHIQHDC-UHFFFAOYSA-N 1 0 350.238 2.489 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccc(F)cc1 ZINC000457369522 560564212 /nfs/dbraw/zinc/56/42/12/560564212.db2.gz GZRMUTRMFJWCJF-CVEARBPZSA-N 1 0 372.400 2.489 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458194395 560608050 /nfs/dbraw/zinc/60/80/50/560608050.db2.gz QFZKMEGIIZGFTQ-ZDUSSCGKSA-N 1 0 363.414 2.233 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000458441313 560623400 /nfs/dbraw/zinc/62/34/00/560623400.db2.gz WSGBXMMJBJROAG-UHFFFAOYSA-N 1 0 351.451 2.345 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458698996 560641656 /nfs/dbraw/zinc/64/16/56/560641656.db2.gz BDBGNUFUVBOURD-LBPRGKRZSA-N 1 0 360.418 2.097 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000461541583 560775042 /nfs/dbraw/zinc/77/50/42/560775042.db2.gz FYWFABBETHTJKY-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000461611539 560776651 /nfs/dbraw/zinc/77/66/51/560776651.db2.gz DAOPAKMCNHNTNT-CYBMUJFWSA-N 1 0 360.418 2.026 20 5 FEBDRO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819148 560852371 /nfs/dbraw/zinc/85/23/71/560852371.db2.gz AWPXWOJBKRGXRA-YXJHDRRASA-N 1 0 352.431 2.470 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713615 560915417 /nfs/dbraw/zinc/91/54/17/560915417.db2.gz MVPPIATZXHFMAN-HWPZZCPQSA-N 1 0 356.382 2.061 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469188499 560949463 /nfs/dbraw/zinc/94/94/63/560949463.db2.gz WWHIIKOQNXMVPT-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470818127 560990783 /nfs/dbraw/zinc/99/07/83/560990783.db2.gz YTNSYZUIQSQHNT-WMZOPIPTSA-N 1 0 373.432 2.472 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000472426846 561026231 /nfs/dbraw/zinc/02/62/31/561026231.db2.gz BFJACOHVNRRYRK-UHFFFAOYSA-N 1 0 355.460 2.311 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473999463 561063223 /nfs/dbraw/zinc/06/32/23/561063223.db2.gz FIYMKYHPPHACTG-KGLIPLIRSA-N 1 0 366.414 2.441 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004449 561063367 /nfs/dbraw/zinc/06/33/67/561063367.db2.gz GOXZYOVEDAHONN-YMRXKLBXSA-N 1 0 366.414 2.296 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000474346277 561071860 /nfs/dbraw/zinc/07/18/60/561071860.db2.gz CKNSXNSPTAEGAG-UHFFFAOYSA-N 1 0 366.414 2.322 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000474380827 561072754 /nfs/dbraw/zinc/07/27/54/561072754.db2.gz UOSHNWXUMAXZJE-NSHDSACASA-N 1 0 362.386 2.039 20 5 FEBDRO COC(=O)c1cc(NC[C@H](C)C[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000474787119 561082808 /nfs/dbraw/zinc/08/28/08/561082808.db2.gz FSIWIZXGRXPNEI-LBPRGKRZSA-N 1 0 351.403 2.070 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000475753411 561104441 /nfs/dbraw/zinc/10/44/41/561104441.db2.gz XWBNEPJUVPAGPH-FUHWJXTLSA-N 1 0 350.415 2.227 20 5 FEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476156877 561112171 /nfs/dbraw/zinc/11/21/71/561112171.db2.gz QPBXBSDXLXABLF-CYBMUJFWSA-N 1 0 357.414 2.284 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000476355965 561117538 /nfs/dbraw/zinc/11/75/38/561117538.db2.gz RKIVHQSPOLOLRI-OAHLLOKOSA-N 1 0 357.414 2.113 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)c2)CC1 ZINC000476361609 561117566 /nfs/dbraw/zinc/11/75/66/561117566.db2.gz IANBPYXXRDWGBC-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813541 562424888 /nfs/dbraw/zinc/42/48/88/562424888.db2.gz ZKGDHDXPFWUCOK-YWZLYKJASA-N 1 0 369.421 2.409 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000531137278 562435885 /nfs/dbraw/zinc/43/58/85/562435885.db2.gz QNWUHQSJSJGEJI-ZBFHGGJFSA-N 1 0 364.446 2.488 20 5 FEBDRO CCn1cc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000532581158 562482135 /nfs/dbraw/zinc/48/21/35/562482135.db2.gz VAVTYCVDVJVYJF-UHFFFAOYSA-N 1 0 361.402 2.280 20 5 FEBDRO C[NH2+]C(C)(C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000533175818 562500429 /nfs/dbraw/zinc/50/04/29/562500429.db2.gz UDAVKJSDMWQTOF-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000534827452 562543342 /nfs/dbraw/zinc/54/33/42/562543342.db2.gz LQMVHANPGMFOEJ-JKSUJKDBSA-N 1 0 366.487 2.291 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000535248790 562554041 /nfs/dbraw/zinc/55/40/41/562554041.db2.gz VWTXPACMPWNAMZ-UHFFFAOYSA-N 1 0 350.382 2.171 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313753 562555659 /nfs/dbraw/zinc/55/56/59/562555659.db2.gz MUKZPEPISYNXER-AWEZNQCLSA-N 1 0 357.414 2.455 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[N@H+]1CC=CCC1 ZINC000535848777 562569545 /nfs/dbraw/zinc/56/95/45/562569545.db2.gz WAEMPJNJPQHUCJ-UHFFFAOYSA-N 1 0 368.231 2.278 20 5 FEBDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541023611 562600639 /nfs/dbraw/zinc/60/06/39/562600639.db2.gz DAUDHSUNFCQFSE-SFHVURJKSA-N 1 0 357.410 2.443 20 5 FEBDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000541056332 562601539 /nfs/dbraw/zinc/60/15/39/562601539.db2.gz WSLRXONRLXYTQP-SFHVURJKSA-N 1 0 369.421 2.370 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH3+])CC2)cc1OC ZINC000568152621 567958295 /nfs/dbraw/zinc/95/82/95/567958295.db2.gz CVQJPJLEPIWFEO-UHFFFAOYSA-N 1 0 351.403 2.203 20 5 FEBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602705201 568017913 /nfs/dbraw/zinc/01/79/13/568017913.db2.gz MHDXJAFBENNBHQ-SSDOTTSWSA-N 1 0 372.248 2.194 20 5 FEBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568322470 568024189 /nfs/dbraw/zinc/02/41/89/568024189.db2.gz GEPWNYRUVAFFJG-GOSISDBHSA-N 1 0 352.394 2.305 20 5 FEBDRO O=C(NCCCCn1ccnc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000604474577 568299074 /nfs/dbraw/zinc/29/90/74/568299074.db2.gz QTQULEGXWFWFRQ-UHFFFAOYSA-N 1 0 354.370 2.187 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000609483887 568342044 /nfs/dbraw/zinc/34/20/44/568342044.db2.gz NXXCNIKNLUEBHJ-IBGZPJMESA-N 1 0 373.409 2.429 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000569336121 568395194 /nfs/dbraw/zinc/39/51/94/568395194.db2.gz RSFQBDMDEKQTGX-DZGCQCFKSA-N 1 0 367.471 2.405 20 5 FEBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000569837453 568421046 /nfs/dbraw/zinc/42/10/46/568421046.db2.gz QEIHBOWKAHVSOZ-UHFFFAOYSA-N 1 0 352.387 2.340 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244576 568465985 /nfs/dbraw/zinc/46/59/85/568465985.db2.gz PVHYTGLHBVOAKD-KGLIPLIRSA-N 1 0 367.471 2.450 20 5 FEBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000570474662 568478185 /nfs/dbraw/zinc/47/81/85/568478185.db2.gz MRBCVPAZTYEHJY-QBPKDAKJSA-N 1 0 365.478 2.364 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000570371121 568480988 /nfs/dbraw/zinc/48/09/88/568480988.db2.gz IUPAADYKWQCKJK-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1cccc(F)c1 ZINC000821581722 599257367 /nfs/dbraw/zinc/25/73/67/599257367.db2.gz TZXWFZPDIPPOLA-CQSZACIVSA-N 1 0 372.364 2.024 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000557467586 674450135 /nfs/dbraw/zinc/45/01/35/674450135.db2.gz RUNNIXPZBUIRAW-LBPRGKRZSA-N 1 0 355.460 2.151 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419215 599362229 /nfs/dbraw/zinc/36/22/29/599362229.db2.gz FTIRWJUNDKXKIT-BZNIZROVSA-N 1 0 354.370 2.159 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809814029 674511619 /nfs/dbraw/zinc/51/16/19/674511619.db2.gz WWFLMCLZMIEVHG-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000558935650 674520612 /nfs/dbraw/zinc/52/06/12/674520612.db2.gz JIQHREYPUBDJTM-UHFFFAOYSA-N 1 0 367.471 2.432 20 5 FEBDRO C[N@H+](CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000821600408 607164085 /nfs/dbraw/zinc/16/40/85/607164085.db2.gz LMARNAYAZHPWHB-UHFFFAOYSA-N 1 0 368.401 2.104 20 5 FEBDRO COc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851659 674565208 /nfs/dbraw/zinc/56/52/08/674565208.db2.gz MWCZTECTYFJOFJ-RYUDHWBXSA-N 1 0 350.371 2.396 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+](C)C ZINC000813730231 674775056 /nfs/dbraw/zinc/77/50/56/674775056.db2.gz MHBDQUADWSDSPU-QMMMGPOBSA-N 1 0 370.258 2.378 20 5 FEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@@H](C)C1 ZINC000563427595 674886249 /nfs/dbraw/zinc/88/62/49/674886249.db2.gz ZYUNDWBTWZXDDA-ZDUSSCGKSA-N 1 0 352.410 2.101 20 5 FEBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000564860686 675069586 /nfs/dbraw/zinc/06/95/86/675069586.db2.gz TZCFWWRRMQXSJC-HFTRVMKXSA-N 1 0 352.431 2.375 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000041321906 670144496 /nfs/dbraw/zinc/14/44/96/670144496.db2.gz YTWFQEIKKDZFRN-LBPRGKRZSA-N 1 0 370.837 2.279 20 5 FEBDRO COc1cc(CN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564969470 675083243 /nfs/dbraw/zinc/08/32/43/675083243.db2.gz NICADJXMWLPGJJ-NSHDSACASA-N 1 0 363.336 2.338 20 5 FEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000042159943 670158452 /nfs/dbraw/zinc/15/84/52/670158452.db2.gz YTGSTYJPRJJJSK-UHFFFAOYSA-N 1 0 350.375 2.497 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570387772 670706015 /nfs/dbraw/zinc/70/60/15/670706015.db2.gz TYZCXOGWHBRLBT-UHFFFAOYSA-N 1 0 350.419 2.146 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000573640633 671146613 /nfs/dbraw/zinc/14/66/13/671146613.db2.gz GARFZWSEYAOOSQ-CRAIPNDOSA-N 1 0 350.415 2.227 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000566103448 675181057 /nfs/dbraw/zinc/18/10/57/675181057.db2.gz PMNDWXKCUXOYHX-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000574941515 671287724 /nfs/dbraw/zinc/28/77/24/671287724.db2.gz BNRYDMWKMDHLOD-OAHLLOKOSA-N 1 0 350.463 2.040 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000576070544 671341819 /nfs/dbraw/zinc/34/18/19/671341819.db2.gz WJKXEEGREKTVCA-VXGBXAGGSA-N 1 0 351.403 2.167 20 5 FEBDRO CSC1(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000576081421 671342457 /nfs/dbraw/zinc/34/24/57/671342457.db2.gz LPUNLNWIAYJGSM-UHFFFAOYSA-N 1 0 366.487 2.264 20 5 FEBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576227419 671353558 /nfs/dbraw/zinc/35/35/58/671353558.db2.gz UZLMIAXIZWRQCK-HNNXBMFYSA-N 1 0 358.460 2.001 20 5 FEBDRO COC[C@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000577055033 671413287 /nfs/dbraw/zinc/41/32/87/671413287.db2.gz OWGQUICPPPGSGK-OAHLLOKOSA-N 1 0 373.862 2.225 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609631625 675930023 /nfs/dbraw/zinc/93/00/23/675930023.db2.gz HGCIAKZGIRBXGK-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCOC2CCCC2)cc1 ZINC000578996980 671704795 /nfs/dbraw/zinc/70/47/95/671704795.db2.gz BNCUIVIZWGZKCM-UHFFFAOYSA-N 1 0 356.444 2.307 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000579642264 671750148 /nfs/dbraw/zinc/75/01/48/671750148.db2.gz ZERLRXZMEZZQIT-UHFFFAOYSA-N 1 0 351.451 2.214 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[NH2+]C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000609852424 675939251 /nfs/dbraw/zinc/93/92/51/675939251.db2.gz RHEGRCVAFFYCGS-UHFFFAOYSA-N 1 0 351.451 2.227 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000580095289 671782970 /nfs/dbraw/zinc/78/29/70/671782970.db2.gz OTJBNRVYIUYJME-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130257 671784587 /nfs/dbraw/zinc/78/45/87/671784587.db2.gz LJTNUXFMXDMHGE-ZBFHGGJFSA-N 1 0 356.444 2.162 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCCc2ccc(Cl)s2)c1 ZINC000580306312 671796588 /nfs/dbraw/zinc/79/65/88/671796588.db2.gz IVMJZPYBDWNKRT-LBPRGKRZSA-N 1 0 358.851 2.480 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610133851 675955795 /nfs/dbraw/zinc/95/57/95/675955795.db2.gz ZPUXDFBEVISYOL-STQMWFEESA-N 1 0 355.460 2.307 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000121432721 671949080 /nfs/dbraw/zinc/94/90/80/671949080.db2.gz QVEOAQQJMHRLEH-QGZVFWFLSA-N 1 0 350.415 2.427 20 5 FEBDRO C[N@@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000610512418 675977278 /nfs/dbraw/zinc/97/72/78/675977278.db2.gz BRNJJBAJTDJQLH-UHFFFAOYSA-N 1 0 372.267 2.192 20 5 FEBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866931 672133427 /nfs/dbraw/zinc/13/34/27/672133427.db2.gz LYNSBTNAAPIQCJ-HLLBOEOZSA-N 1 0 351.447 2.187 20 5 FEBDRO COc1cc(C(=O)NC(C)(C)CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000584047921 672150482 /nfs/dbraw/zinc/15/04/82/672150482.db2.gz OBCKHHKWEMWLMT-UHFFFAOYSA-N 1 0 361.345 2.452 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000585698702 672225781 /nfs/dbraw/zinc/22/57/81/672225781.db2.gz PHKWCKNALJGPSR-SNVBAGLBSA-N 1 0 356.220 2.490 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3cncn3C2)cc1SC ZINC000587045605 672439941 /nfs/dbraw/zinc/43/99/41/672439941.db2.gz XJQDPCQAPIPNJV-JTQLQIEISA-N 1 0 362.411 2.267 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3cncn3C2)cc1SC ZINC000587045606 672440032 /nfs/dbraw/zinc/44/00/32/672440032.db2.gz XJQDPCQAPIPNJV-SNVBAGLBSA-N 1 0 362.411 2.267 20 5 FEBDRO CN(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000589328680 672521958 /nfs/dbraw/zinc/52/19/58/672521958.db2.gz HRECKNISLKREHG-UHFFFAOYSA-N 1 0 369.468 2.304 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000589938574 672549219 /nfs/dbraw/zinc/54/92/19/672549219.db2.gz WBKKPXJNSFLAOY-ZANVPECISA-N 1 0 350.293 2.245 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCS2(=O)=O)cc1[N+](=O)[O-] ZINC000611335584 676032806 /nfs/dbraw/zinc/03/28/06/676032806.db2.gz RYWSGRQMWCFLIK-CYBMUJFWSA-N 1 0 371.459 2.070 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590441774 672582814 /nfs/dbraw/zinc/58/28/14/672582814.db2.gz DWTBQEMPEBTJDY-BXUZGUMPSA-N 1 0 353.806 2.180 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000591306398 672667628 /nfs/dbraw/zinc/66/76/28/672667628.db2.gz KOLYLUOATNBCQL-NHYWBVRUSA-N 1 0 350.419 2.472 20 5 FEBDRO COc1cc(C(=O)N2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000591677749 672700723 /nfs/dbraw/zinc/70/07/23/672700723.db2.gz BTSDAHLHRMJZES-UHFFFAOYSA-N 1 0 359.329 2.029 20 5 FEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000591686202 672701529 /nfs/dbraw/zinc/70/15/29/672701529.db2.gz SDHWHPVQEZQQKC-LBPRGKRZSA-N 1 0 354.204 2.229 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000591728166 672705107 /nfs/dbraw/zinc/70/51/07/672705107.db2.gz MHRKPHXQZPAQBO-AWEZNQCLSA-N 1 0 363.805 2.119 20 5 FEBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591765012 672709058 /nfs/dbraw/zinc/70/90/58/672709058.db2.gz YBKKPAOWAVFESB-RDJZCZTQSA-N 1 0 351.447 2.045 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194441451 672759618 /nfs/dbraw/zinc/75/96/18/672759618.db2.gz ZXNZRTNPSMIYOQ-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000592183866 672768444 /nfs/dbraw/zinc/76/84/44/672768444.db2.gz CKRMFJFOOGFMMO-CQSZACIVSA-N 1 0 361.320 2.104 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000592242526 672776080 /nfs/dbraw/zinc/77/60/80/672776080.db2.gz SXPPDCGVRCUSOD-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593062664 672870309 /nfs/dbraw/zinc/87/03/09/672870309.db2.gz QOVGCOZSLKHHBA-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261844437 672904012 /nfs/dbraw/zinc/90/40/12/672904012.db2.gz ZDOGPQOGOCCQKW-LLVKDONJSA-N 1 0 361.851 2.306 20 5 FEBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000262112430 672909437 /nfs/dbraw/zinc/90/94/37/672909437.db2.gz WORKGGGBTIKGIT-CQSZACIVSA-N 1 0 354.838 2.068 20 5 FEBDRO CC[C@]1(C)CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593599388 672954652 /nfs/dbraw/zinc/95/46/52/672954652.db2.gz WIFUPHPUVGPQTR-HZPDHXFCSA-N 1 0 355.460 2.432 20 5 FEBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCC)C[C@H]1C[NH3+] ZINC000593917244 673008143 /nfs/dbraw/zinc/00/81/43/673008143.db2.gz XKKQMTYIFCLPQP-BXUZGUMPSA-N 1 0 353.444 2.143 20 5 FEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCCO1 ZINC000594043869 673024942 /nfs/dbraw/zinc/02/49/42/673024942.db2.gz PBBFPQPGPVEEQK-HIFRSBDPSA-N 1 0 351.403 2.479 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594483454 673086950 /nfs/dbraw/zinc/08/69/50/673086950.db2.gz KVGLFKPXVKGNAN-DLBZAZTESA-N 1 0 367.471 2.074 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594770949 673136538 /nfs/dbraw/zinc/13/65/38/673136538.db2.gz LDFKIQGOBSSLAU-LBPRGKRZSA-N 1 0 366.443 2.152 20 5 FEBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000594781489 673140445 /nfs/dbraw/zinc/14/04/45/673140445.db2.gz QCICASXMDLCGFV-AWEZNQCLSA-N 1 0 368.459 2.065 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729263811 673230447 /nfs/dbraw/zinc/23/04/47/673230447.db2.gz JNJWDTMWSGGWQM-VIFPVBQESA-N 1 0 367.349 2.252 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595500851 673258492 /nfs/dbraw/zinc/25/84/92/673258492.db2.gz MMFNXPAPVOZTKB-CQSZACIVSA-N 1 0 350.419 2.146 20 5 FEBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595614800 673273729 /nfs/dbraw/zinc/27/37/29/673273729.db2.gz ILINSAMGVBBUOQ-OAHLLOKOSA-N 1 0 354.403 2.013 20 5 FEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779967 673324545 /nfs/dbraw/zinc/32/45/45/673324545.db2.gz HBEGXAJSWHZFBL-HERUPUMHSA-N 1 0 353.806 2.468 20 5 FEBDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595826948 673328357 /nfs/dbraw/zinc/32/83/57/673328357.db2.gz PWMBISMSWTYGRA-HNNXBMFYSA-N 1 0 350.419 2.051 20 5 FEBDRO COCC1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595909113 673337395 /nfs/dbraw/zinc/33/73/95/673337395.db2.gz MMMDZLMPIMHWIE-UHFFFAOYSA-N 1 0 356.444 2.307 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CC(C)C ZINC000596069916 673355818 /nfs/dbraw/zinc/35/58/18/673355818.db2.gz JWODLIULAOUARC-AWEZNQCLSA-N 1 0 372.491 2.411 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)CC[NH+](C)C ZINC000596097349 673358250 /nfs/dbraw/zinc/35/82/50/673358250.db2.gz IILQQXYACFMQQQ-LBPRGKRZSA-N 1 0 358.464 2.035 20 5 FEBDRO CN(CCC[NH+](C)C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000596424660 673383895 /nfs/dbraw/zinc/38/38/95/673383895.db2.gz JJPUSAOHUZEAJS-UHFFFAOYSA-N 1 0 363.487 3.014 20 5 FEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000597710412 673501449 /nfs/dbraw/zinc/50/14/49/673501449.db2.gz MBMTYTZOQBENIA-KRWDZBQOSA-N 1 0 353.369 2.360 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000597709990 673501513 /nfs/dbraw/zinc/50/15/13/673501513.db2.gz FXVVAQXLUCEPTE-KRWDZBQOSA-N 1 0 351.378 2.300 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597858167 673513458 /nfs/dbraw/zinc/51/34/58/673513458.db2.gz LFTNNDUMWJZGRK-ZDUSSCGKSA-N 1 0 367.471 2.282 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000597942999 673521896 /nfs/dbraw/zinc/52/18/96/673521896.db2.gz SKEBDKQFPGCHPV-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000540171720 673526481 /nfs/dbraw/zinc/52/64/81/673526481.db2.gz XBTSIEXPDRERCN-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO COC(=O)c1ccnc(N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000598590035 673587217 /nfs/dbraw/zinc/58/72/17/673587217.db2.gz ODSQKYRQBJAAEN-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598602423 673588610 /nfs/dbraw/zinc/58/86/10/673588610.db2.gz NTWOKYGYWKLLBZ-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c(C)c1[N+](=O)[O-] ZINC000598609899 673590189 /nfs/dbraw/zinc/59/01/89/673590189.db2.gz ZOPALUMNJNVPTG-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000599100138 673633205 /nfs/dbraw/zinc/63/32/05/673633205.db2.gz FVGXCPRBECNYTE-CQSZACIVSA-N 1 0 361.851 2.175 20 5 FEBDRO NS(=O)(=O)c1c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599125808 673635290 /nfs/dbraw/zinc/63/52/90/673635290.db2.gz CFOKFIDSGOJQCH-ZDUSSCGKSA-N 1 0 368.459 2.061 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000740841182 673656757 /nfs/dbraw/zinc/65/67/57/673656757.db2.gz NAWFCLSEFDDABY-AAEUAGOBSA-N 1 0 350.375 2.448 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000740841184 673656770 /nfs/dbraw/zinc/65/67/70/673656770.db2.gz NAWFCLSEFDDABY-WCQYABFASA-N 1 0 350.375 2.448 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599463973 673678675 /nfs/dbraw/zinc/67/86/75/673678675.db2.gz ICUYSEWSYZRRLQ-AWEZNQCLSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464716 673678695 /nfs/dbraw/zinc/67/86/95/673678695.db2.gz QZUCGXJQUNNYSU-OAHLLOKOSA-N 1 0 353.444 2.198 20 5 FEBDRO O=C(CN1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599639649 673700672 /nfs/dbraw/zinc/70/06/72/673700672.db2.gz LBZUXTARHNUVOI-MEDUHNTESA-N 1 0 353.806 2.281 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742412339 673727049 /nfs/dbraw/zinc/72/70/49/673727049.db2.gz PMJRZEPIBNCJAH-NXEZZACHSA-N 1 0 352.347 2.184 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000600119144 673742329 /nfs/dbraw/zinc/74/23/29/673742329.db2.gz JOMYCRWBXFIEER-LLVKDONJSA-N 1 0 356.220 2.427 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@]1(C)CCCS1 ZINC000600164975 673745713 /nfs/dbraw/zinc/74/57/13/673745713.db2.gz MPZIGAKFPSBWJY-HNNXBMFYSA-N 1 0 373.500 2.091 20 5 FEBDRO C[NH+](C)CCCNC(=S)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743022756 673745766 /nfs/dbraw/zinc/74/57/66/673745766.db2.gz RQWKMWZRHBKDOH-UHFFFAOYSA-N 1 0 366.487 2.264 20 5 FEBDRO COc1cc(C[N@H+](CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000545930784 673783344 /nfs/dbraw/zinc/78/33/44/673783344.db2.gz LQQDBOVYBFDTJO-UHFFFAOYSA-N 1 0 356.394 2.494 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744801186 673811709 /nfs/dbraw/zinc/81/17/09/673811709.db2.gz MVUJOTOXPLUBNX-JTQLQIEISA-N 1 0 350.375 2.191 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000601124042 673827356 /nfs/dbraw/zinc/82/73/56/673827356.db2.gz BTOCJKAHKKPKMN-NSHDSACASA-N 1 0 353.370 2.196 20 5 FEBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601335904 673844316 /nfs/dbraw/zinc/84/43/16/673844316.db2.gz ZUMGCNXKQZKRDU-FZMZJTMJSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000601337880 673844602 /nfs/dbraw/zinc/84/46/02/673844602.db2.gz JQRAIXCSPZMRNX-UHFFFAOYSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356302 673847289 /nfs/dbraw/zinc/84/72/89/673847289.db2.gz MVOSGGMSPLDDSJ-NEPJUHHUSA-N 1 0 359.423 2.146 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601363242 673848791 /nfs/dbraw/zinc/84/87/91/673848791.db2.gz VVDKXPFTFSHMKX-ZDUSSCGKSA-N 1 0 373.500 2.317 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601383720 673852880 /nfs/dbraw/zinc/85/28/80/673852880.db2.gz ULXOCVRELXVLIE-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000601386847 673853146 /nfs/dbraw/zinc/85/31/46/673853146.db2.gz GIDWEPZZXJYNBX-UHFFFAOYSA-N 1 0 361.489 2.317 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746461659 673879503 /nfs/dbraw/zinc/87/95/03/673879503.db2.gz BZLGUJFUYUNGTC-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000746559905 673883959 /nfs/dbraw/zinc/88/39/59/673883959.db2.gz YXENASHHVNMAHE-BZUAXINKSA-N 1 0 364.471 2.475 20 5 FEBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000602491035 673907101 /nfs/dbraw/zinc/90/71/01/673907101.db2.gz NBULFCQJYMCSKU-LLVKDONJSA-N 1 0 354.204 2.229 20 5 FEBDRO C[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513201 673907379 /nfs/dbraw/zinc/90/73/79/673907379.db2.gz AODIMFZPVUBYGE-VIFPVBQESA-N 1 0 364.265 2.229 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000602538268 673907747 /nfs/dbraw/zinc/90/77/47/673907747.db2.gz BVGNMXDAWNYFQX-WDEREUQCSA-N 1 0 361.320 2.203 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@]2(CCO)CCOC2)cc1Br ZINC000602569283 673908009 /nfs/dbraw/zinc/90/80/09/673908009.db2.gz OTCZCVQHPFEBNE-LBPRGKRZSA-N 1 0 365.249 2.298 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000602780399 673910892 /nfs/dbraw/zinc/91/08/92/673910892.db2.gz PGBVWSOSSAFHDM-MRXNPFEDSA-N 1 0 352.435 2.150 20 5 FEBDRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000548021631 673915686 /nfs/dbraw/zinc/91/56/86/673915686.db2.gz SZKJGCGPXKTPTO-LBPRGKRZSA-N 1 0 350.448 2.052 20 5 FEBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000603400376 673929757 /nfs/dbraw/zinc/92/97/57/673929757.db2.gz GXYAFKIGEMSYIE-NSHDSACASA-N 1 0 363.443 2.289 20 5 FEBDRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819198498 675269203 /nfs/dbraw/zinc/26/92/03/675269203.db2.gz SEKPAYHYBLHNGJ-OAHLLOKOSA-N 1 0 351.403 2.085 20 5 FEBDRO Cc1cc(Cl)nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000819289557 675277532 /nfs/dbraw/zinc/27/75/32/675277532.db2.gz DYFXCZYEEINOGQ-AWEZNQCLSA-N 1 0 351.790 2.481 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000567771248 675320765 /nfs/dbraw/zinc/32/07/65/675320765.db2.gz WQIQEKIKZFHWQD-DOMZBBRYSA-N 1 0 355.460 2.118 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000567782855 675322195 /nfs/dbraw/zinc/32/21/95/675322195.db2.gz DPFLUDBGSXRFSK-ZBFHGGJFSA-N 1 0 367.471 2.262 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000819911257 675323204 /nfs/dbraw/zinc/32/32/04/675323204.db2.gz HYQFLVIBAKXESA-WCQYABFASA-N 1 0 373.862 2.271 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC(CC[NH2+]C)CC2)cc1[N+](=O)[O-] ZINC000567869221 675331152 /nfs/dbraw/zinc/33/11/52/675331152.db2.gz QGNNXMKGNUVHAI-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000820827087 675391588 /nfs/dbraw/zinc/39/15/88/675391588.db2.gz JRZHKCJJVBWQFI-CYBMUJFWSA-N 1 0 368.821 2.311 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000823133258 675531456 /nfs/dbraw/zinc/53/14/56/675531456.db2.gz LKKYYCONUAQVLG-JTQLQIEISA-N 1 0 371.235 2.106 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000825147380 675638799 /nfs/dbraw/zinc/63/87/99/675638799.db2.gz FBYUASAZQKHPTL-OAHLLOKOSA-N 1 0 366.849 2.035 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000825215519 675641921 /nfs/dbraw/zinc/64/19/21/675641921.db2.gz QEVCTWSGAFDURT-QPUJVOFHSA-N 1 0 372.194 2.320 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000825480878 675655393 /nfs/dbraw/zinc/65/53/93/675655393.db2.gz AGADFVSELGCZKP-VXGBXAGGSA-N 1 0 350.394 2.157 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000828423531 675819014 /nfs/dbraw/zinc/81/90/14/675819014.db2.gz WWJQTOLTDACHMI-LLVKDONJSA-N 1 0 371.821 2.294 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000616136181 676240494 /nfs/dbraw/zinc/24/04/94/676240494.db2.gz OPXCCSOSWWKHNY-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000761546239 680726613 /nfs/dbraw/zinc/72/66/13/680726613.db2.gz DESGUYOLJWLOOV-CYBMUJFWSA-N 1 0 352.460 2.382 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839469831 680754644 /nfs/dbraw/zinc/75/46/44/680754644.db2.gz HWMOCLLNGBWNRQ-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000839493629 680756709 /nfs/dbraw/zinc/75/67/09/680756709.db2.gz ZBUMRROETUHREK-CYBMUJFWSA-N 1 0 352.822 2.355 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000839537854 680760152 /nfs/dbraw/zinc/76/01/52/680760152.db2.gz BDROMCBBAVYJRB-GFCCVEGCSA-N 1 0 372.443 2.002 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)C[NH+]2CCCC2)C(F)(F)F)c1F ZINC000839653313 680769238 /nfs/dbraw/zinc/76/92/38/680769238.db2.gz VVIHICGVALFGGA-YGRLFVJLSA-N 1 0 365.327 2.384 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100152 680863352 /nfs/dbraw/zinc/86/33/52/680863352.db2.gz VUYUVIUOXWHHOZ-AWEZNQCLSA-N 1 0 350.810 2.136 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749993812 680093589 /nfs/dbraw/zinc/09/35/89/680093589.db2.gz PXXPWKAEWCFCST-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139903 680100940 /nfs/dbraw/zinc/10/09/40/680100940.db2.gz QNLGHQXWOXSMIX-HKUMRIAESA-N 1 0 357.332 2.107 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778211 680176088 /nfs/dbraw/zinc/17/60/88/680176088.db2.gz JMJTUNGPINYZPG-CQSZACIVSA-N 1 0 352.410 2.477 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000752234497 680231104 /nfs/dbraw/zinc/23/11/04/680231104.db2.gz IJLISLBOKIKLHE-OLZOCXBDSA-N 1 0 373.862 2.462 20 5 FEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754997362 680393200 /nfs/dbraw/zinc/39/32/00/680393200.db2.gz MPOUMMMKGFDDEM-VIFPVBQESA-N 1 0 360.183 2.320 20 5 FEBDRO C[C@@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H](C)[NH3+] ZINC000842006769 680921564 /nfs/dbraw/zinc/92/15/64/680921564.db2.gz RSNURAANGLTPOQ-DTWKUNHWSA-N 1 0 371.235 2.161 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000842746920 680963798 /nfs/dbraw/zinc/96/37/98/680963798.db2.gz GLSIOYFVPDNMNL-LLVKDONJSA-N 1 0 359.835 2.072 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC[C@H]1[NH3+] ZINC000842798259 680967756 /nfs/dbraw/zinc/96/77/56/680967756.db2.gz OULCKDSTJQUTFC-GHMZBOCLSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000842838710 680970797 /nfs/dbraw/zinc/97/07/97/680970797.db2.gz RVPMXXYUWGJHQK-LLVKDONJSA-N 1 0 361.851 2.306 20 5 FEBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843108825 680988084 /nfs/dbraw/zinc/98/80/84/680988084.db2.gz UMNLPGNOUBNHRE-VNHYZAJKSA-N 1 0 366.439 2.498 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000843345350 680999047 /nfs/dbraw/zinc/99/90/47/680999047.db2.gz BXRUNKVNFRCCFT-CYBMUJFWSA-N 1 0 350.375 2.449 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000843501231 681007335 /nfs/dbraw/zinc/00/73/35/681007335.db2.gz FZOVNAIQKXJHBD-CWSCBRNRSA-N 1 0 350.375 2.257 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000843831540 681020970 /nfs/dbraw/zinc/02/09/70/681020970.db2.gz QQWSBZIYGVHSBI-ZDUSSCGKSA-N 1 0 353.394 2.009 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000843831539 681021064 /nfs/dbraw/zinc/02/10/64/681021064.db2.gz QQWSBZIYGVHSBI-CYBMUJFWSA-N 1 0 353.394 2.009 20 5 FEBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845500097 681133061 /nfs/dbraw/zinc/13/30/61/681133061.db2.gz IJOZMHKILKLXHB-ZDUSSCGKSA-N 1 0 370.812 2.130 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC[N@@H+](C)CC(C)C)cc([N+](=O)[O-])c1F ZINC000845956261 681164950 /nfs/dbraw/zinc/16/49/50/681164950.db2.gz ISQFEQUZCMIRSM-UHFFFAOYSA-N 1 0 361.439 2.299 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932150180 681184397 /nfs/dbraw/zinc/18/43/97/681184397.db2.gz OFBVLGGGYPVRLX-CYBMUJFWSA-N 1 0 369.849 2.408 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2CC1 ZINC000946589299 681244548 /nfs/dbraw/zinc/24/45/48/681244548.db2.gz QOIFHGMFHIUPLN-YVECIDJPSA-N 1 0 362.257 2.141 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000846698908 681276762 /nfs/dbraw/zinc/27/67/62/681276762.db2.gz CVIJSOVZBAWZPR-UHOFOFEASA-N 1 0 351.378 2.235 20 5 FEBDRO CN(CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000776598532 681413651 /nfs/dbraw/zinc/41/36/51/681413651.db2.gz PUQCWOCTUSENND-OAHLLOKOSA-N 1 0 353.419 2.427 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933872230 681477474 /nfs/dbraw/zinc/47/74/74/681477474.db2.gz MDUSGIFGUMRUPN-PBHICJAKSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000933875796 681477980 /nfs/dbraw/zinc/47/79/80/681477980.db2.gz DURCDESGYLIRTF-NVXWUHKLSA-N 1 0 350.415 2.416 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800345 681531600 /nfs/dbraw/zinc/53/16/00/681531600.db2.gz PCBYMXDNZZFWPR-GHMZBOCLSA-N 1 0 363.443 2.450 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580215 681582070 /nfs/dbraw/zinc/58/20/70/681582070.db2.gz KPASCKRCQKDOJD-LLVKDONJSA-N 1 0 355.341 2.167 20 5 FEBDRO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848582093 681582980 /nfs/dbraw/zinc/58/29/80/681582980.db2.gz WCNXUSBXFHTTCR-ZDUSSCGKSA-N 1 0 355.341 2.263 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902060 685466108 /nfs/dbraw/zinc/46/61/08/685466108.db2.gz IWUAATJEVWUITN-LBPRGKRZSA-N 1 0 368.231 2.206 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916681 685466640 /nfs/dbraw/zinc/46/66/40/685466640.db2.gz ZOXZKUHBNCLEKW-LLVKDONJSA-N 1 0 354.204 2.278 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[NH+](C)C ZINC000849429113 681731053 /nfs/dbraw/zinc/73/10/53/681731053.db2.gz JDHDGDDNQHVDLQ-QMMMGPOBSA-N 1 0 353.803 2.006 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000935819265 681829413 /nfs/dbraw/zinc/82/94/13/681829413.db2.gz RDICXIVIRWGCNV-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000791129023 682724286 /nfs/dbraw/zinc/72/42/86/682724286.db2.gz IIQFTVAMXITXAW-OAHLLOKOSA-N 1 0 355.797 2.482 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791337877 682735940 /nfs/dbraw/zinc/73/59/40/682735940.db2.gz XQFNFAXHNKGOAX-TUAOUCFPSA-N 1 0 352.410 2.412 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856732856 682800685 /nfs/dbraw/zinc/80/06/85/682800685.db2.gz FPAVUKPRBKLAAZ-NSHDSACASA-N 1 0 358.236 2.250 20 5 FEBDRO COc1ccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000794669003 682988660 /nfs/dbraw/zinc/98/86/60/682988660.db2.gz NGUIBFLVXMGIKN-CQSZACIVSA-N 1 0 352.387 2.117 20 5 FEBDRO Cc1sc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181758 683090194 /nfs/dbraw/zinc/09/01/94/683090194.db2.gz CPOLKCRINCOWQR-WBMRYOJMSA-N 1 0 367.471 2.174 20 5 FEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795951421 683111948 /nfs/dbraw/zinc/11/19/48/683111948.db2.gz SBHSNPGXIYWIDR-UHFFFAOYSA-N 1 0 367.830 2.350 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093143 683382677 /nfs/dbraw/zinc/38/26/77/683382677.db2.gz LHLGNXMNNHDKFN-DOMZBBRYSA-N 1 0 360.439 2.386 20 5 FEBDRO COC(=O)c1cc(C(=O)OCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000800097838 683532591 /nfs/dbraw/zinc/53/25/91/683532591.db2.gz SCOVWCNJEHZTPO-UHFFFAOYSA-N 1 0 350.371 2.414 20 5 FEBDRO O=C(Nc1ccccc1Br)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929951830 683660338 /nfs/dbraw/zinc/66/03/38/683660338.db2.gz UIQWUAWXCGTLTL-UHFFFAOYSA-N 1 0 356.220 2.376 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000922731798 683774177 /nfs/dbraw/zinc/77/41/77/683774177.db2.gz PPQXWIDODNAPEI-WDEREUQCSA-N 1 0 362.304 2.435 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1 ZINC000930720103 683776073 /nfs/dbraw/zinc/77/60/73/683776073.db2.gz MEDFNTXMKISTAO-QMTHXVAHSA-N 1 0 359.220 2.234 20 5 FEBDRO CN(C)[C@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000922754239 683777738 /nfs/dbraw/zinc/77/77/38/683777738.db2.gz WMQHHMYNKPKTBW-CQSZACIVSA-N 1 0 363.336 2.338 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000922851503 683793025 /nfs/dbraw/zinc/79/30/25/683793025.db2.gz XNLNLDMEEPWXMI-LQDVMPOASA-N 1 0 354.428 2.191 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865008360 683922102 /nfs/dbraw/zinc/92/21/02/683922102.db2.gz YVWXFKXAOIMDQB-LLVKDONJSA-N 1 0 368.231 2.253 20 5 FEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866305694 684090683 /nfs/dbraw/zinc/09/06/83/684090683.db2.gz KDGFGYFHKNWVSD-FZMZJTMJSA-N 1 0 373.450 2.396 20 5 FEBDRO CSCC[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000866358163 684094560 /nfs/dbraw/zinc/09/45/60/684094560.db2.gz HGARJACIAKXGDL-FZMZJTMJSA-N 1 0 357.451 2.464 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Br ZINC000866825251 684161936 /nfs/dbraw/zinc/16/19/36/684161936.db2.gz KJPRTMKBNQJZPS-UHFFFAOYSA-N 1 0 367.221 2.018 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000931333310 684263541 /nfs/dbraw/zinc/26/35/41/684263541.db2.gz DOSZSCKUUBKPAN-AOOOYVTPSA-N 1 0 369.219 2.383 20 5 FEBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000872529267 684972799 /nfs/dbraw/zinc/97/27/99/684972799.db2.gz DYAOMZKOXFEJEP-UHFFFAOYSA-N 1 0 368.459 2.019 20 5 FEBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000872640341 684994549 /nfs/dbraw/zinc/99/45/49/684994549.db2.gz FPBVPSDDKUDTHB-UHFFFAOYSA-N 1 0 352.771 2.190 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873105632 685072139 /nfs/dbraw/zinc/07/21/39/685072139.db2.gz ZPLYGNWCLWRGDT-UHFFFAOYSA-N 1 0 355.460 2.055 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280052 686347546 /nfs/dbraw/zinc/34/75/46/686347546.db2.gz FSPXAZQFKVFPQO-DRZSPHRISA-N 1 0 353.806 2.368 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877278207 686347919 /nfs/dbraw/zinc/34/79/19/686347919.db2.gz RJPPSRZNODJHTN-OLZOCXBDSA-N 1 0 354.204 2.324 20 5 FEBDRO CSc1ccc(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877334429 686356223 /nfs/dbraw/zinc/35/62/23/686356223.db2.gz BHUAMPOQJIVVCU-CYBMUJFWSA-N 1 0 365.455 2.205 20 5 FEBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481813 686387859 /nfs/dbraw/zinc/38/78/59/686387859.db2.gz SXRAFDXKZMTDTP-JKSUJKDBSA-N 1 0 352.431 2.057 20 5 FEBDRO C[C@](CO)([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879273394 686784828 /nfs/dbraw/zinc/78/48/28/686784828.db2.gz JKEQGAXXNNGSMG-DLBZAZTESA-N 1 0 352.337 2.404 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000879731125 686896438 /nfs/dbraw/zinc/89/64/38/686896438.db2.gz IEIZQUHZJFBVRZ-DOTOQJQBSA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000879731130 686896471 /nfs/dbraw/zinc/89/64/71/686896471.db2.gz IEIZQUHZJFBVRZ-WBVHZDCISA-N 1 0 350.415 2.416 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC000880388756 687043267 /nfs/dbraw/zinc/04/32/67/687043267.db2.gz UTFJJTRBUKMVQM-IRXDYDNUSA-N 1 0 362.455 2.332 20 5 FEBDRO CC[N@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000881863560 687237731 /nfs/dbraw/zinc/23/77/31/687237731.db2.gz BNWPOUANIVPFSN-UHFFFAOYSA-N 1 0 356.220 2.458 20 5 FEBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000882769316 687480838 /nfs/dbraw/zinc/48/08/38/687480838.db2.gz QMUBCIMGDGYSNT-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)n1 ZINC000883361578 687613862 /nfs/dbraw/zinc/61/38/62/687613862.db2.gz HCJSUDMWULHERE-AEJSXWLSSA-N 1 0 372.294 2.423 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c1 ZINC000883478819 687643274 /nfs/dbraw/zinc/64/32/74/687643274.db2.gz BAHDERAPCQRQMZ-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO COC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886908577 688338739 /nfs/dbraw/zinc/33/87/39/688338739.db2.gz VNMWDYYVVLTHRE-UKRRQHHQSA-N 1 0 354.403 2.013 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891756163 689102365 /nfs/dbraw/zinc/10/23/65/689102365.db2.gz ALVAQTCHPYMPKN-UONOGXRCSA-N 1 0 352.822 2.327 20 5 FEBDRO C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000893412587 689344376 /nfs/dbraw/zinc/34/43/76/689344376.db2.gz NPOZINGEOBSVIC-DYVFJYSZSA-N 1 0 366.487 2.435 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@]2(C)C1 ZINC000893600037 689372776 /nfs/dbraw/zinc/37/27/76/689372776.db2.gz AIQFGTUFXZNZMP-WBMJQRKESA-N 1 0 352.822 2.341 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+]4CCSC[C@@H]34)cc2N1 ZINC000895573433 689737833 /nfs/dbraw/zinc/73/78/33/689737833.db2.gz YICMMIVYCCZHAV-LRDDRELGSA-N 1 0 362.455 2.471 20 5 FEBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896579279 689899948 /nfs/dbraw/zinc/89/99/48/689899948.db2.gz BQFATQIUDJITHW-FZMZJTMJSA-N 1 0 362.455 2.174 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC([NH+]3CCCC3)C2)cc1SC ZINC000898611576 690218109 /nfs/dbraw/zinc/21/81/09/690218109.db2.gz XILGLDXXUXIEDS-UHFFFAOYSA-N 1 0 351.428 2.246 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900581567 690534663 /nfs/dbraw/zinc/53/46/63/690534663.db2.gz ZWDJAWRRGXVCBS-LLVKDONJSA-N 1 0 359.785 2.228 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1 ZINC000900596028 690536435 /nfs/dbraw/zinc/53/64/35/690536435.db2.gz ZAUMIUTYHFZVKG-JTQLQIEISA-N 1 0 366.219 2.149 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000901057043 690606312 /nfs/dbraw/zinc/60/63/12/690606312.db2.gz DVQHJZNDUYJRFN-UHFFFAOYSA-N 1 0 373.812 2.352 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000903204705 690866332 /nfs/dbraw/zinc/86/63/32/690866332.db2.gz UTJWBCNOKKYYHC-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000903748881 690969339 /nfs/dbraw/zinc/96/93/39/690969339.db2.gz CHDMQBUHLVWPIA-LLVKDONJSA-N 1 0 350.163 2.396 20 5 FEBDRO COCC[C@@H]1C[NH2+]CCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000903840454 690977817 /nfs/dbraw/zinc/97/78/17/690977817.db2.gz QUAHQFMATFBVMW-CYBMUJFWSA-N 1 0 358.236 2.168 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000905622618 691153118 /nfs/dbraw/zinc/15/31/18/691153118.db2.gz DFECGYIPIFLUDE-HOTGVXAUSA-N 1 0 350.415 2.416 20 5 FEBDRO CC1(C)CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000905685317 691160977 /nfs/dbraw/zinc/16/09/77/691160977.db2.gz FZJONLQAJZUDSE-AWEZNQCLSA-N 1 0 356.444 2.306 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906581800 691287859 /nfs/dbraw/zinc/28/78/59/691287859.db2.gz ZWIROJWEIATFMD-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000907457647 691487901 /nfs/dbraw/zinc/48/79/01/691487901.db2.gz RWGYGDMLXMIQBZ-AWEZNQCLSA-N 1 0 355.460 2.104 20 5 FEBDRO Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164867073 721063467 /nfs/dbraw/zinc/06/34/67/721063467.db2.gz HKZBHIGGRHLJQN-IRXDYDNUSA-N 1 0 369.425 2.173 20 5 FEBDRO Nc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906331 721539838 /nfs/dbraw/zinc/53/98/38/721539838.db2.gz JVLKKUYLCDOHHS-UKRRQHHQSA-N 1 0 373.388 2.053 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932685 721860815 /nfs/dbraw/zinc/86/08/15/721860815.db2.gz ZLEPRCGLUVIEIM-JKSUJKDBSA-N 1 0 355.442 2.358 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000549263426 674029729 /nfs/dbraw/zinc/02/97/29/674029729.db2.gz WLIRHLIFNKQAJT-CQSZACIVSA-N 1 0 363.439 2.442 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800309759 674040504 /nfs/dbraw/zinc/04/05/04/674040504.db2.gz RMCLIMNGNUTEEA-QMTHXVAHSA-N 1 0 361.851 2.056 20 5 FEBDRO COCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000026447321 539786658 /nfs/dbraw/zinc/78/66/58/539786658.db2.gz ZJTZPIGALVMBHZ-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000028068548 539825349 /nfs/dbraw/zinc/82/53/49/539825349.db2.gz SJHVAPMBTUXRAT-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO CCOc1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032297020 539933176 /nfs/dbraw/zinc/93/31/76/539933176.db2.gz HXJVWKRQQWATKG-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033221878 539971626 /nfs/dbraw/zinc/97/16/26/539971626.db2.gz PAVOCGJFVTUAMS-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)CC1 ZINC000043286270 540096067 /nfs/dbraw/zinc/09/60/67/540096067.db2.gz BJTOUSAQNWGUGY-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000043892331 540114690 /nfs/dbraw/zinc/11/46/90/540114690.db2.gz ILQTUWQVYWUEDP-UHFFFAOYSA-N 1 0 363.462 2.426 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccsc1 ZINC000045733259 540223626 /nfs/dbraw/zinc/22/36/26/540223626.db2.gz DRQLLTNPKVOXDJ-ZDUSSCGKSA-N 1 0 370.456 2.019 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744975 540225112 /nfs/dbraw/zinc/22/51/12/540225112.db2.gz SZNXUOPOTDUQME-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000047672979 540323797 /nfs/dbraw/zinc/32/37/97/540323797.db2.gz DEGBIQJKHBSFIP-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000048693181 540370434 /nfs/dbraw/zinc/37/04/34/540370434.db2.gz VVZFWVILVKPBRL-UHFFFAOYSA-N 1 0 350.419 2.077 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000049010984 540379351 /nfs/dbraw/zinc/37/93/51/540379351.db2.gz LSWPXHCSUMIDFD-UHFFFAOYSA-N 1 0 362.430 2.304 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053483667 540539045 /nfs/dbraw/zinc/53/90/45/540539045.db2.gz LFZDQKUNUZPSCI-UHFFFAOYSA-N 1 0 359.430 2.455 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000055298224 540645127 /nfs/dbraw/zinc/64/51/27/540645127.db2.gz FYJHZLNWLRNSHA-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000056197328 540710692 /nfs/dbraw/zinc/71/06/92/540710692.db2.gz LAMFKUTYFHMKIM-VXGBXAGGSA-N 1 0 356.382 2.372 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000058610978 540851063 /nfs/dbraw/zinc/85/10/63/540851063.db2.gz WDDSCBTWCMLCMV-INIZCTEOSA-N 1 0 370.475 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1C ZINC000060442766 541112387 /nfs/dbraw/zinc/11/23/87/541112387.db2.gz DZMLIZPEQXQBLE-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000065721744 541255367 /nfs/dbraw/zinc/25/53/67/541255367.db2.gz RWKNZQZNHQVJGI-WBVHZDCISA-N 1 0 369.425 2.243 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000065742576 541256478 /nfs/dbraw/zinc/25/64/78/541256478.db2.gz SAYMOPLXNBOUBW-QGZVFWFLSA-N 1 0 371.441 2.443 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067165101 541428389 /nfs/dbraw/zinc/42/83/89/541428389.db2.gz CGFOJHZMIULZPK-NVXWUHKLSA-N 1 0 355.398 2.137 20 5 FEBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067419450 541461824 /nfs/dbraw/zinc/46/18/24/541461824.db2.gz RVULXIDQLBUSIO-HNNXBMFYSA-N 1 0 362.430 2.080 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467698 541596282 /nfs/dbraw/zinc/59/62/82/541596282.db2.gz LNACGINNVDTZJD-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000068549595 541607992 /nfs/dbraw/zinc/60/79/92/541607992.db2.gz ONTQRYFNGAEYRS-UHFFFAOYSA-N 1 0 369.425 2.275 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068777578 541626345 /nfs/dbraw/zinc/62/63/45/541626345.db2.gz HZVUNGHDIAAMCN-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000069137374 541661962 /nfs/dbraw/zinc/66/19/62/541661962.db2.gz IDYHZKFDWBJCDI-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000069527403 541694215 /nfs/dbraw/zinc/69/42/15/541694215.db2.gz CDPNUGROEQWBFI-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069746242 541710741 /nfs/dbraw/zinc/71/07/41/541710741.db2.gz NEDRYJWXDORRGL-AWEZNQCLSA-N 1 0 372.425 2.261 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072835632 541877378 /nfs/dbraw/zinc/87/73/78/541877378.db2.gz CFHUPYKHXDWQCJ-DZGCQCFKSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1nsc(N2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000075967262 542220337 /nfs/dbraw/zinc/22/03/37/542220337.db2.gz HGYMNRJHCLJYEE-UHFFFAOYSA-N 1 0 363.443 2.346 20 5 FEBDRO Cc1c(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000076331501 542260974 /nfs/dbraw/zinc/26/09/74/542260974.db2.gz PPENEHFWSAFKQL-UHFFFAOYSA-N 1 0 363.462 2.393 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076380813 542270169 /nfs/dbraw/zinc/27/01/69/542270169.db2.gz CNJSAHOVELZYSL-ZDUSSCGKSA-N 1 0 372.429 2.088 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076646575 542305042 /nfs/dbraw/zinc/30/50/42/542305042.db2.gz OIECQBMYUQEQIN-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC(F)F ZINC000078405013 542460552 /nfs/dbraw/zinc/46/05/52/542460552.db2.gz CNURANFWLGSBGT-LBPRGKRZSA-N 1 0 357.357 2.355 20 5 FEBDRO C[C@@H](O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512957 542465508 /nfs/dbraw/zinc/46/55/08/542465508.db2.gz LFOZKYDUEQWZHS-PBHICJAKSA-N 1 0 352.431 2.350 20 5 FEBDRO CCOC(=O)c1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089603539 542766467 /nfs/dbraw/zinc/76/64/67/542766467.db2.gz JFLDXGCYQHNBFE-OAHLLOKOSA-N 1 0 363.414 2.437 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089933236 542776235 /nfs/dbraw/zinc/77/62/35/542776235.db2.gz XSDTVMGIVKAKLX-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1cccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961879 542778717 /nfs/dbraw/zinc/77/87/17/542778717.db2.gz SQXHZIGDUYJUNF-IRXDYDNUSA-N 1 0 369.421 2.268 20 5 FEBDRO CCc1nn(C)c(NCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000092827065 542889862 /nfs/dbraw/zinc/88/98/62/542889862.db2.gz DICGVASREUQOEV-UHFFFAOYSA-N 1 0 372.473 2.120 20 5 FEBDRO CNC(=O)c1ccc(Nc2cnn(CC[NH+]3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000092978294 542899536 /nfs/dbraw/zinc/89/95/36/542899536.db2.gz LSQQEZZZMOUEPY-UHFFFAOYSA-N 1 0 372.429 2.380 20 5 FEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439790 549334196 /nfs/dbraw/zinc/33/41/96/549334196.db2.gz WNOGLJFNWWAWGF-NVXWUHKLSA-N 1 0 374.441 2.023 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106864456 543250609 /nfs/dbraw/zinc/25/06/09/543250609.db2.gz FAKFZRXLOMVLEM-SWLSCSKDSA-N 1 0 351.403 2.167 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000107707552 543276816 /nfs/dbraw/zinc/27/68/16/543276816.db2.gz ZWHYFHQAHZZOQL-LBPRGKRZSA-N 1 0 359.473 2.295 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000107873743 543280231 /nfs/dbraw/zinc/28/02/31/543280231.db2.gz PAGGZJVLPUJWCM-OAHLLOKOSA-N 1 0 374.441 2.319 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109028043 543311352 /nfs/dbraw/zinc/31/13/52/543311352.db2.gz GVCLJAXYIMTEAM-OAHLLOKOSA-N 1 0 358.442 2.164 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986258 543345481 /nfs/dbraw/zinc/34/54/81/543345481.db2.gz NRVVQLGPMQIZQI-GFCCVEGCSA-N 1 0 358.398 2.041 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000113646585 543494690 /nfs/dbraw/zinc/49/46/90/543494690.db2.gz NAPMUNUNJZWACP-HNNXBMFYSA-N 1 0 362.430 2.222 20 5 FEBDRO C[NH+](C)Cc1cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)ccc1F ZINC000115416020 543566303 /nfs/dbraw/zinc/56/63/03/543566303.db2.gz QEQJOPISGPQNSZ-UHFFFAOYSA-N 1 0 363.393 2.044 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115437131 543567567 /nfs/dbraw/zinc/56/75/67/543567567.db2.gz BJURRVIAGQNJHG-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000552023600 674182623 /nfs/dbraw/zinc/18/26/23/674182623.db2.gz BOPGUYCIJQCDSC-ZDUSSCGKSA-N 1 0 355.460 2.139 20 5 FEBDRO COCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)C ZINC000117335244 543629389 /nfs/dbraw/zinc/62/93/89/543629389.db2.gz RAJBEQFTSVINCJ-UHFFFAOYSA-N 1 0 351.403 2.497 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000116922630 543619724 /nfs/dbraw/zinc/61/97/24/543619724.db2.gz RHYKEOJHOFDICS-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121782667 543699354 /nfs/dbraw/zinc/69/93/54/543699354.db2.gz PTIVIUYQKXQMCI-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123136088 543745128 /nfs/dbraw/zinc/74/51/28/543745128.db2.gz YEELVTVHDYATPV-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713432 543778482 /nfs/dbraw/zinc/77/84/82/543778482.db2.gz HNTNNEAEXSOQBV-HNNXBMFYSA-N 1 0 371.441 2.246 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000123209857 543748878 /nfs/dbraw/zinc/74/88/78/543748878.db2.gz WXPNSWWVXVIRGM-UHFFFAOYSA-N 1 0 359.473 2.214 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000123305132 543753900 /nfs/dbraw/zinc/75/39/00/543753900.db2.gz OOMYRBMSYSXDSM-CYBMUJFWSA-N 1 0 363.439 2.396 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000247485032 549342716 /nfs/dbraw/zinc/34/27/16/549342716.db2.gz GERTYSQYRNOALR-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000126940908 543964468 /nfs/dbraw/zinc/96/44/68/543964468.db2.gz IGIWKGGMAUFTJU-CYBMUJFWSA-N 1 0 363.414 2.170 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128649210 544065192 /nfs/dbraw/zinc/06/51/92/544065192.db2.gz RXHPZDYJRFUQQV-IRXDYDNUSA-N 1 0 369.425 2.454 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130115189 544139317 /nfs/dbraw/zinc/13/93/17/544139317.db2.gz PAQUQEAZRXRVAJ-UHFFFAOYSA-N 1 0 357.370 2.268 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000130313262 544146166 /nfs/dbraw/zinc/14/61/66/544146166.db2.gz YBHFRWFRNAVBOH-UHFFFAOYSA-N 1 0 357.414 2.012 20 5 FEBDRO C[C@H]1C[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000131960810 544213685 /nfs/dbraw/zinc/21/36/85/544213685.db2.gz OMLBRBLDAXLLEB-DOTOQJQBSA-N 1 0 371.441 2.208 20 5 FEBDRO CS(=O)(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135238512 544338916 /nfs/dbraw/zinc/33/89/16/544338916.db2.gz ZHBOQISZLNDXQE-CQSZACIVSA-N 1 0 367.471 2.231 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148537876 544452406 /nfs/dbraw/zinc/45/24/06/544452406.db2.gz UYCWTMLXXUSWFS-JHJVBQTASA-N 1 0 363.414 2.420 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150821250 544475497 /nfs/dbraw/zinc/47/54/97/544475497.db2.gz BJEHQPANIXRLKO-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000151684149 544569492 /nfs/dbraw/zinc/56/94/92/544569492.db2.gz KPJILHJHTWPUKF-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151834972 544586417 /nfs/dbraw/zinc/58/64/17/544586417.db2.gz ZKUIOMFKZSPFNZ-GDBMZVCRSA-N 1 0 359.382 2.375 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000152892309 544707269 /nfs/dbraw/zinc/70/72/69/544707269.db2.gz WRGSEPJRQGGIQE-YPMHNXCESA-N 1 0 373.862 2.353 20 5 FEBDRO C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000153941882 544843378 /nfs/dbraw/zinc/84/33/78/544843378.db2.gz HXYUQMJLZDXZOE-PHIMTYICSA-N 1 0 371.384 2.491 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247530801 549351613 /nfs/dbraw/zinc/35/16/13/549351613.db2.gz OZTATBUCZXKHTJ-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000154819243 544953210 /nfs/dbraw/zinc/95/32/10/544953210.db2.gz XQAGWCQBORZKFG-SFHVURJKSA-N 1 0 357.414 2.113 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000553558018 674270704 /nfs/dbraw/zinc/27/07/04/674270704.db2.gz QJHWJKMJFWHWRV-CMPLNLGQSA-N 1 0 359.473 2.212 20 5 FEBDRO COC(=O)CCn1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000182195999 327765063 /nfs/dbraw/zinc/76/50/63/327765063.db2.gz UTXIFDUJWPJNRE-UHFFFAOYSA-N 1 0 360.414 2.304 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000184709017 327879967 /nfs/dbraw/zinc/87/99/67/327879967.db2.gz ZCPSWYQPILXYNC-MRXNPFEDSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1cc(NCC[N@@H+]2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188495075 328090752 /nfs/dbraw/zinc/09/07/52/328090752.db2.gz KCHCLWUXAITTHH-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188673965 328103364 /nfs/dbraw/zinc/10/33/64/328103364.db2.gz OKXBWBRTVAVMSY-UHFFFAOYSA-N 1 0 363.377 2.314 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189129918 328129982 /nfs/dbraw/zinc/12/99/82/328129982.db2.gz FTUHAKQFFDORDI-UHFFFAOYSA-N 1 0 355.460 2.262 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](O)C(F)(F)F ZINC000189536105 328153627 /nfs/dbraw/zinc/15/36/27/328153627.db2.gz STFHFGXEMPLKEH-ZDUSSCGKSA-N 1 0 363.336 2.477 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190023167 328183185 /nfs/dbraw/zinc/18/31/85/328183185.db2.gz RIYDYGPAQLVPKR-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000190046091 328184413 /nfs/dbraw/zinc/18/44/13/328184413.db2.gz WSMCSBVJQXJDIA-LBPRGKRZSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053815 328184857 /nfs/dbraw/zinc/18/48/57/328184857.db2.gz CDJONVKUIIBKBA-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190159713 328191616 /nfs/dbraw/zinc/19/16/16/328191616.db2.gz UKTOMVQYZXNLQW-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192884270 328344926 /nfs/dbraw/zinc/34/49/26/328344926.db2.gz PHISQLOHRKUAIL-ZDUSSCGKSA-N 1 0 362.430 2.158 20 5 FEBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000193000365 328351486 /nfs/dbraw/zinc/35/14/86/328351486.db2.gz GKELCVIQJJADBP-IAGOWNOFSA-N 1 0 355.398 2.101 20 5 FEBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193302486 328367763 /nfs/dbraw/zinc/36/77/63/328367763.db2.gz REJQIDWDKVMUEJ-CYBMUJFWSA-N 1 0 366.443 2.137 20 5 FEBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193586460 328383845 /nfs/dbraw/zinc/38/38/45/328383845.db2.gz QDXMEOPLHIOVHB-OAHLLOKOSA-N 1 0 356.382 2.090 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000237050512 328502782 /nfs/dbraw/zinc/50/27/82/328502782.db2.gz FFQQOSGZFBRMPZ-CQSZACIVSA-N 1 0 359.382 2.432 20 5 FEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077315927 324985139 /nfs/dbraw/zinc/98/51/39/324985139.db2.gz SCAQSSKWKGXVMB-QGZVFWFLSA-N 1 0 358.442 2.044 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000077804696 325017557 /nfs/dbraw/zinc/01/75/57/325017557.db2.gz MBLMMSZKEJTUPH-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000081996539 325205762 /nfs/dbraw/zinc/20/57/62/325205762.db2.gz FDONZGXQZFOLQC-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO COc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083027191 325210574 /nfs/dbraw/zinc/21/05/74/325210574.db2.gz LGDSVSVYXZWSQT-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000090170685 325355820 /nfs/dbraw/zinc/35/58/20/325355820.db2.gz YMXZVHXUXNCBBD-HIFRSBDPSA-N 1 0 357.414 2.401 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000090554691 325363166 /nfs/dbraw/zinc/36/31/66/325363166.db2.gz VMFTWYCDZJGBAR-UHFFFAOYSA-N 1 0 360.389 2.472 20 5 FEBDRO O=C(CC[N@@H+]1CCCN(CC(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091084217 325373930 /nfs/dbraw/zinc/37/39/30/325373930.db2.gz ZNXQEBMZZOQCIO-UHFFFAOYSA-N 1 0 356.373 2.196 20 5 FEBDRO [NH3+]CC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000238036190 328538711 /nfs/dbraw/zinc/53/87/11/328538711.db2.gz JFZPQMXIHUKRHZ-UHFFFAOYSA-N 1 0 368.242 2.261 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000098097785 325466391 /nfs/dbraw/zinc/46/63/91/325466391.db2.gz JBFVECZCQLXCSF-HNNXBMFYSA-N 1 0 357.414 2.204 20 5 FEBDRO COc1cc(OCC(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000104405332 325538207 /nfs/dbraw/zinc/53/82/07/325538207.db2.gz REFCRECEIPGELT-UHFFFAOYSA-N 1 0 363.414 2.069 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116588395 326026316 /nfs/dbraw/zinc/02/63/16/326026316.db2.gz XXMAEOOKMUNJNP-CQSZACIVSA-N 1 0 350.419 2.016 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118843819 326107924 /nfs/dbraw/zinc/10/79/24/326107924.db2.gz FFRIUHVCHAXCSX-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000118868082 326109720 /nfs/dbraw/zinc/10/97/20/326109720.db2.gz MLLDAJIWKADBAE-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(C)(C)C[NH+](C)C ZINC000119404386 326158381 /nfs/dbraw/zinc/15/83/81/326158381.db2.gz FNTVYHSZCCPOSU-ZDUSSCGKSA-N 1 0 359.430 2.487 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000119526610 326171699 /nfs/dbraw/zinc/17/16/99/326171699.db2.gz VEDUWHAFZDZOEJ-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000119594357 326179013 /nfs/dbraw/zinc/17/90/13/326179013.db2.gz UAQKPMXLEGGJLA-OAHLLOKOSA-N 1 0 371.441 2.488 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000119629199 326182359 /nfs/dbraw/zinc/18/23/59/326182359.db2.gz OHIPJNLTGKSZHM-CYBMUJFWSA-N 1 0 365.430 2.320 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000119716490 326191028 /nfs/dbraw/zinc/19/10/28/326191028.db2.gz XUZWCKWZRUMIDR-ZDUSSCGKSA-N 1 0 353.394 2.207 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000119878079 326208382 /nfs/dbraw/zinc/20/83/82/326208382.db2.gz RHSHOTGYQDFFKJ-ZDUSSCGKSA-N 1 0 353.444 2.157 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120324489 326249647 /nfs/dbraw/zinc/24/96/47/326249647.db2.gz KAMWWAKGFYFWMM-MRXNPFEDSA-N 1 0 369.487 2.382 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000120562408 326268643 /nfs/dbraw/zinc/26/86/43/326268643.db2.gz CNPILZRPIKPDCY-OAHLLOKOSA-N 1 0 360.414 2.010 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122391142 326394945 /nfs/dbraw/zinc/39/49/45/326394945.db2.gz UFMGSBOTGSGJTC-ZIAGYGMSSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122450282 326397405 /nfs/dbraw/zinc/39/74/05/326397405.db2.gz WYANPQNHHCETDT-AAEUAGOBSA-N 1 0 373.862 2.353 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000123023402 326417757 /nfs/dbraw/zinc/41/77/57/326417757.db2.gz KCTHPQQSVHNPRM-ZDUSSCGKSA-N 1 0 370.409 2.461 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123310852 326427022 /nfs/dbraw/zinc/42/70/22/326427022.db2.gz UTYZSLKARZWIFF-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1c(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000124216881 326449772 /nfs/dbraw/zinc/44/97/72/326449772.db2.gz PWFMFGUTWHVVMS-HNNXBMFYSA-N 1 0 361.442 2.063 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000124825595 326460767 /nfs/dbraw/zinc/46/07/67/326460767.db2.gz AAUCLXJIFGZZNG-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO C[NH+]1CCN([C@H]2CCCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000127025082 326499009 /nfs/dbraw/zinc/49/90/09/326499009.db2.gz HCBKYNUWRBYUCV-ZDUSSCGKSA-N 1 0 354.401 2.479 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000131550283 326576948 /nfs/dbraw/zinc/57/69/48/326576948.db2.gz VMJWMWWSUKDOMP-ZDUSSCGKSA-N 1 0 374.422 2.358 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000133507986 326609996 /nfs/dbraw/zinc/60/99/96/326609996.db2.gz POKXYZMZONNWTE-KRWDZBQOSA-N 1 0 371.441 2.280 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000152389248 326706064 /nfs/dbraw/zinc/70/60/64/326706064.db2.gz NDKXSDMNQNDPFM-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895301 326718892 /nfs/dbraw/zinc/71/88/92/326718892.db2.gz VRKSLJPYTDVALW-DLBZAZTESA-N 1 0 350.415 2.226 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000154173548 326753260 /nfs/dbraw/zinc/75/32/60/326753260.db2.gz QWDVSPOCFDOYBX-DZGCQCFKSA-N 1 0 365.430 2.282 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000163319355 327048868 /nfs/dbraw/zinc/04/88/68/327048868.db2.gz UNYXECRXBWFJHW-OAHLLOKOSA-N 1 0 369.425 2.338 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163950611 327062071 /nfs/dbraw/zinc/06/20/71/327062071.db2.gz PIKJMTBZIAVHRK-OAHLLOKOSA-N 1 0 369.487 2.131 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000164260373 327067449 /nfs/dbraw/zinc/06/74/49/327067449.db2.gz MMPMLRWEPGUHEY-INIZCTEOSA-N 1 0 370.457 2.166 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000165502536 327078239 /nfs/dbraw/zinc/07/82/39/327078239.db2.gz AWHGWZIUXFFMFD-GFCCVEGCSA-N 1 0 363.443 2.032 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000171199296 327124301 /nfs/dbraw/zinc/12/43/01/327124301.db2.gz LIDDOMCGQCRKMC-AWEZNQCLSA-N 1 0 364.446 2.456 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000172018242 327176414 /nfs/dbraw/zinc/17/64/14/327176414.db2.gz GFTCHLFYFHQYCH-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173288305 327247067 /nfs/dbraw/zinc/24/70/67/327247067.db2.gz YOTARQXFUBGLIY-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472803 327259670 /nfs/dbraw/zinc/25/96/70/327259670.db2.gz MHUNFQXDKMMYRM-RDJZCZTQSA-N 1 0 372.425 2.224 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000173614133 327271238 /nfs/dbraw/zinc/27/12/38/327271238.db2.gz BKGDZEHOTNILOL-ZDUSSCGKSA-N 1 0 364.446 2.393 20 5 FEBDRO CN(CC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000173767401 327282706 /nfs/dbraw/zinc/28/27/06/327282706.db2.gz PRHJIAVLDLDGPE-UHFFFAOYSA-N 1 0 356.426 2.279 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173920904 327294669 /nfs/dbraw/zinc/29/46/69/327294669.db2.gz HWPOBVHMPPAOGG-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000174712015 327344991 /nfs/dbraw/zinc/34/49/91/327344991.db2.gz NQBLWINZUHVBPR-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738132 327347583 /nfs/dbraw/zinc/34/75/83/327347583.db2.gz IJOUKVUOOFGVMW-CQSZACIVSA-N 1 0 358.320 2.303 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175080476 327372878 /nfs/dbraw/zinc/37/28/78/327372878.db2.gz RXHFSKALRRKYQG-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176371066 327451674 /nfs/dbraw/zinc/45/16/74/327451674.db2.gz PQFVLJAANJUIOX-UHFFFAOYSA-N 1 0 360.414 2.057 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176692751 327470414 /nfs/dbraw/zinc/47/04/14/327470414.db2.gz AWDVXLBFFHSNKS-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000177528833 327528661 /nfs/dbraw/zinc/52/86/61/327528661.db2.gz XNDSVVIIBJBFDQ-NEPJUHHUSA-N 1 0 350.375 2.414 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177563982 327530638 /nfs/dbraw/zinc/53/06/38/327530638.db2.gz WAJXBXDVJSGNDX-OAHLLOKOSA-N 1 0 371.441 2.484 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000178749106 327604415 /nfs/dbraw/zinc/60/44/15/327604415.db2.gz ISRQESAKUNCBPE-NSHDSACASA-N 1 0 360.336 2.284 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261608606 328805096 /nfs/dbraw/zinc/80/50/96/328805096.db2.gz ASCPITFRPYVZSZ-MWLCHTKSSA-N 1 0 361.851 2.162 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261610815 328805405 /nfs/dbraw/zinc/80/54/05/328805405.db2.gz DVUHYCXCJXTRIW-CQSZACIVSA-N 1 0 354.204 2.183 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261878254 328826301 /nfs/dbraw/zinc/82/63/01/328826301.db2.gz TURWYVORNFWZDN-UPJWGTAASA-N 1 0 367.833 2.474 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000262307278 328858161 /nfs/dbraw/zinc/85/81/61/328858161.db2.gz YLTSKOICYJMTQL-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262836620 328893554 /nfs/dbraw/zinc/89/35/54/328893554.db2.gz WJAONUFFWURRSW-VXGBXAGGSA-N 1 0 353.444 2.045 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(CNc3c([N+](=O)[O-])c(C)nn3C)cc2)CC1 ZINC000265144858 329096093 /nfs/dbraw/zinc/09/60/93/329096093.db2.gz RGKAFQHCZUPGRG-UHFFFAOYSA-N 1 0 372.473 2.386 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265224291 329104101 /nfs/dbraw/zinc/10/41/01/329104101.db2.gz AVHRLUZSZAYSEL-UHFFFAOYSA-N 1 0 373.837 2.102 20 5 FEBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1C1CC[NH2+]CC1 ZINC000265468244 329130306 /nfs/dbraw/zinc/13/03/06/329130306.db2.gz BZXLQMGFQYKLBJ-UHFFFAOYSA-N 1 0 354.823 2.390 20 5 FEBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265479711 329131476 /nfs/dbraw/zinc/13/14/76/329131476.db2.gz SCRRIXLXNSKNSD-SECBINFHSA-N 1 0 364.387 2.250 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000265917352 329172545 /nfs/dbraw/zinc/17/25/45/329172545.db2.gz AWXXJLGDVBMFGP-ZDUSSCGKSA-N 1 0 363.414 2.170 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265972642 329177905 /nfs/dbraw/zinc/17/79/05/329177905.db2.gz WFXXHZGFKWILNY-UHFFFAOYSA-N 1 0 353.419 2.464 20 5 FEBDRO Cn1cc([C@@H](O)C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000266168186 329196772 /nfs/dbraw/zinc/19/67/72/329196772.db2.gz QERFBQGJQBFDSK-HNNXBMFYSA-N 1 0 359.411 2.275 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266346038 329213433 /nfs/dbraw/zinc/21/34/33/329213433.db2.gz WDHGZZZMRSHPBT-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1[N+](=O)[O-] ZINC000266640187 329244650 /nfs/dbraw/zinc/24/46/50/329244650.db2.gz CEUGJZKFALHPRS-UHFFFAOYSA-N 1 0 356.386 2.395 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266647090 329245307 /nfs/dbraw/zinc/24/53/07/329245307.db2.gz MVHXKUOZYOQWNF-UHFFFAOYSA-N 1 0 365.405 2.451 20 5 FEBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCSC1 ZINC000267131335 329294805 /nfs/dbraw/zinc/29/48/05/329294805.db2.gz VQXYMTDWFDUNQF-INIZCTEOSA-N 1 0 366.443 2.401 20 5 FEBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCSC1 ZINC000267131338 329294862 /nfs/dbraw/zinc/29/48/62/329294862.db2.gz VQXYMTDWFDUNQF-MRXNPFEDSA-N 1 0 366.443 2.401 20 5 FEBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267213458 329302969 /nfs/dbraw/zinc/30/29/69/329302969.db2.gz HUCLPVWWVMOIBQ-UHFFFAOYSA-N 1 0 372.267 2.192 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000267340201 329316535 /nfs/dbraw/zinc/31/65/35/329316535.db2.gz SSPIRILMNUJNHG-OAHLLOKOSA-N 1 0 357.863 2.344 20 5 FEBDRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000269185678 329494648 /nfs/dbraw/zinc/49/46/48/329494648.db2.gz LBTUFDMFIAWQNR-IRXDYDNUSA-N 1 0 362.430 2.403 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O ZINC000270394324 329597101 /nfs/dbraw/zinc/59/71/01/329597101.db2.gz YQQVNGRDDSKESW-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271697762 329716652 /nfs/dbraw/zinc/71/66/52/329716652.db2.gz MXWUDJKZZHWDKF-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO O=C(C[NH2+][C@H](CCO)c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000271701237 329716886 /nfs/dbraw/zinc/71/68/86/329716886.db2.gz SSYRXYXEFHKYHF-QGZVFWFLSA-N 1 0 355.394 2.197 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271739667 329720660 /nfs/dbraw/zinc/72/06/60/329720660.db2.gz VZUYXMDNNFNYHE-AWEZNQCLSA-N 1 0 362.430 2.162 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272439914 329781451 /nfs/dbraw/zinc/78/14/51/329781451.db2.gz ZXXHSJYLLHOHCV-NSHDSACASA-N 1 0 363.443 2.403 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272496570 329785858 /nfs/dbraw/zinc/78/58/58/329785858.db2.gz KXSHFZNTSPZJIC-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1cc(N2CCN(c3nc(N)ns3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272844835 329817411 /nfs/dbraw/zinc/81/74/11/329817411.db2.gz NOADQIYJGPXEJX-UHFFFAOYSA-N 1 0 371.426 2.212 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000272947502 329825714 /nfs/dbraw/zinc/82/57/14/329825714.db2.gz DALZSXMAJMJJIJ-KRWDZBQOSA-N 1 0 351.403 2.122 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273508219 329870444 /nfs/dbraw/zinc/87/04/44/329870444.db2.gz KXUDLAGROVKJKG-LBPRGKRZSA-N 1 0 373.450 2.393 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000273512688 329870605 /nfs/dbraw/zinc/87/06/05/329870605.db2.gz OAWLCGLRAKINLJ-GDBMZVCRSA-N 1 0 365.455 2.255 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000273724246 329886521 /nfs/dbraw/zinc/88/65/21/329886521.db2.gz SEHJFSLEMIKBCL-OAHLLOKOSA-N 1 0 367.471 2.088 20 5 FEBDRO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C1)CCCC2 ZINC000275358037 330039354 /nfs/dbraw/zinc/03/93/54/330039354.db2.gz UZOYEWKQCCCFHR-GFCCVEGCSA-N 1 0 371.397 2.166 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOCC(F)F)CC3)nc2c1 ZINC000276227480 330131093 /nfs/dbraw/zinc/13/10/93/330131093.db2.gz MWDMQFPHLHHTDB-UHFFFAOYSA-N 1 0 369.372 2.265 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000276398475 330148502 /nfs/dbraw/zinc/14/85/02/330148502.db2.gz KCALLDCAIXRZJQ-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276515272 330160317 /nfs/dbraw/zinc/16/03/17/330160317.db2.gz BQUXHXZYNAUKMT-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000291405324 330190855 /nfs/dbraw/zinc/19/08/55/330190855.db2.gz WRURYOOJRBYOIG-RHSMWYFYSA-N 1 0 374.441 2.038 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000367090872 330215676 /nfs/dbraw/zinc/21/56/76/330215676.db2.gz DMSYAXRXAZNCET-HUUCEWRRSA-N 1 0 366.393 2.105 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000367090870 330215827 /nfs/dbraw/zinc/21/58/27/330215827.db2.gz DMSYAXRXAZNCET-CABCVRRESA-N 1 0 366.393 2.105 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000369322337 330239145 /nfs/dbraw/zinc/23/91/45/330239145.db2.gz QTCOQADSQDYBMM-AXHNFQJDSA-N 1 0 372.425 2.282 20 5 FEBDRO C[C@@H]1COCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000433158573 330273822 /nfs/dbraw/zinc/27/38/22/330273822.db2.gz KAONZHUYWIONEC-BXKDBHETSA-N 1 0 372.219 2.310 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155524212 545536541 /nfs/dbraw/zinc/53/65/41/545536541.db2.gz ZJXVNPXCRRYJQK-OGHNNQOOSA-N 1 0 363.414 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155651406 545554117 /nfs/dbraw/zinc/55/41/17/545554117.db2.gz NEINFODWKRQQGY-UHFFFAOYSA-N 1 0 372.429 2.236 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)s1 ZINC000157863280 545793678 /nfs/dbraw/zinc/79/36/78/545793678.db2.gz VAGYWDSTHMGZNA-UHFFFAOYSA-N 1 0 363.443 2.056 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949494 561156867 /nfs/dbraw/zinc/15/68/67/561156867.db2.gz FSQSZLUJTCSXTM-UHFFFAOYSA-N 1 0 370.409 2.454 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000158557491 545871622 /nfs/dbraw/zinc/87/16/22/545871622.db2.gz USCCSKYZWXIMIW-NSHDSACASA-N 1 0 359.473 2.294 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000478490337 561168243 /nfs/dbraw/zinc/16/82/43/561168243.db2.gz JRJOAIFMZTUKNG-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160182983 546014453 /nfs/dbraw/zinc/01/44/53/546014453.db2.gz CECSBKCKMQYKQE-PDBZHATLSA-N 1 0 373.453 2.492 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160525086 546049288 /nfs/dbraw/zinc/04/92/88/546049288.db2.gz QYEKZFCAAMTIOM-QZTJIDSGSA-N 1 0 361.442 2.021 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161334374 546121359 /nfs/dbraw/zinc/12/13/59/546121359.db2.gz OJPXRUCWNMNRKI-CQSZACIVSA-N 1 0 355.398 2.139 20 5 FEBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](C[NH+]4CCOCC4)C3)nc2c1 ZINC000177070109 546537608 /nfs/dbraw/zinc/53/76/08/546537608.db2.gz GIQNQFUINZTFMF-AWEZNQCLSA-N 1 0 360.414 2.280 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000177500741 546631131 /nfs/dbraw/zinc/63/11/31/546631131.db2.gz QXFXIFBWGFZZAQ-UONOGXRCSA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1C ZINC000481000791 561222513 /nfs/dbraw/zinc/22/25/13/561222513.db2.gz CFGPXMDSQJXVKP-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO O=C(CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000177943086 546710849 /nfs/dbraw/zinc/71/08/49/546710849.db2.gz FXQYRNKZJXOTAS-DAYGRLMNSA-N 1 0 358.442 2.340 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1C ZINC000178316580 546774852 /nfs/dbraw/zinc/77/48/52/546774852.db2.gz OHTFHAWCDHRLHZ-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000178761830 546846134 /nfs/dbraw/zinc/84/61/34/546846134.db2.gz OKSZTQNHPLGLJL-AWEZNQCLSA-N 1 0 364.446 2.012 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000481772927 561241699 /nfs/dbraw/zinc/24/16/99/561241699.db2.gz ACWKKDIXWMFHGC-UHFFFAOYSA-N 1 0 365.459 2.374 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000179323217 546931906 /nfs/dbraw/zinc/93/19/06/546931906.db2.gz BJVPNUCDWHTBLH-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179554396 546976599 /nfs/dbraw/zinc/97/65/99/546976599.db2.gz TUQBKJWJDOYDTK-CQSZACIVSA-N 1 0 372.425 2.230 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000179754183 547008667 /nfs/dbraw/zinc/00/86/67/547008667.db2.gz AQULQFGKYLRTNI-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000180061088 547045845 /nfs/dbraw/zinc/04/58/45/547045845.db2.gz ZRXDWVUSKRCTJQ-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO CCOC(=O)C1CCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180419464 547105706 /nfs/dbraw/zinc/10/57/06/547105706.db2.gz YUOHJNHPNNZJHJ-ZDUSSCGKSA-N 1 0 363.414 2.047 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@@H+]1C ZINC000181162728 547262072 /nfs/dbraw/zinc/26/20/72/547262072.db2.gz OPNMNGZPTVJOQF-AHIWAGSCSA-N 1 0 360.414 2.029 20 5 FEBDRO CS(=O)(=O)C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181778720 547378950 /nfs/dbraw/zinc/37/89/50/547378950.db2.gz OCINJLOSBIQONR-KRWDZBQOSA-N 1 0 364.423 2.349 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCO[C@H](c2ccsc2)C1 ZINC000181999954 547419636 /nfs/dbraw/zinc/41/96/36/547419636.db2.gz XARMNYXRFJSCCW-YOEHRIQHSA-N 1 0 364.423 2.470 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182035258 547426662 /nfs/dbraw/zinc/42/66/62/547426662.db2.gz DAPNZQNSGDXTAY-MRXNPFEDSA-N 1 0 362.430 2.256 20 5 FEBDRO NC(=O)C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000182067190 547431496 /nfs/dbraw/zinc/43/14/96/547431496.db2.gz MKTFVEQIGCRSAX-IRXDYDNUSA-N 1 0 374.441 2.114 20 5 FEBDRO CCCC[N@H+](CCCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000182145444 547444330 /nfs/dbraw/zinc/44/43/30/547444330.db2.gz HCZRVWDRRFGPDP-CYBMUJFWSA-N 1 0 353.419 2.415 20 5 FEBDRO CCN(CC)C(=O)CCC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182553172 547512031 /nfs/dbraw/zinc/51/20/31/547512031.db2.gz WPCPMZGDJKZOPH-UHFFFAOYSA-N 1 0 351.451 2.152 20 5 FEBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182955915 547578741 /nfs/dbraw/zinc/57/87/41/547578741.db2.gz HTBBEBOVZKNGAX-UHFFFAOYSA-N 1 0 373.457 2.319 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209777 547621113 /nfs/dbraw/zinc/62/11/13/547621113.db2.gz QGQVEBGJXLYEPU-KDOFPFPSSA-N 1 0 374.441 2.278 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000484171663 561292911 /nfs/dbraw/zinc/29/29/11/561292911.db2.gz KFWFEYBMUMHCAH-GXSJLCMTSA-N 1 0 356.220 2.096 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000183295871 547635174 /nfs/dbraw/zinc/63/51/74/547635174.db2.gz KVCOKEAHOCHMPV-GFCCVEGCSA-N 1 0 359.423 2.277 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183390275 547649315 /nfs/dbraw/zinc/64/93/15/547649315.db2.gz VNIKPSNEZCGREN-QWRGUYRKSA-N 1 0 361.402 2.323 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000183444068 547659909 /nfs/dbraw/zinc/65/99/09/547659909.db2.gz APVHDNBDFKPURR-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183459275 547664263 /nfs/dbraw/zinc/66/42/63/547664263.db2.gz HQEVWEKIZTWOQC-RVSPLBMKSA-N 1 0 365.430 2.280 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184193080 547784939 /nfs/dbraw/zinc/78/49/39/547784939.db2.gz AVEYNSLAYGOSCO-HNNXBMFYSA-N 1 0 369.425 2.309 20 5 FEBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)c2)CC1 ZINC000184263154 547797153 /nfs/dbraw/zinc/79/71/53/547797153.db2.gz BLALBFFLSMXYEV-UHFFFAOYSA-N 1 0 372.429 2.031 20 5 FEBDRO Cc1cc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184613307 547854774 /nfs/dbraw/zinc/85/47/74/547854774.db2.gz YBDSNEKYBYUSEZ-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO COC(=O)c1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000184828356 547884524 /nfs/dbraw/zinc/88/45/24/547884524.db2.gz VJUVREPAIRAJHF-CQSZACIVSA-N 1 0 364.446 2.128 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000184916211 547900215 /nfs/dbraw/zinc/90/02/15/547900215.db2.gz HQHYJDQETZLAOD-ZYHUDNBSSA-N 1 0 359.423 2.146 20 5 FEBDRO C[N@@H+]1CCCC12CCN(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CC2 ZINC000485167092 561314203 /nfs/dbraw/zinc/31/42/03/561314203.db2.gz LYGAPMAXOSZULU-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+](C)Cc1ccccc1 ZINC000185198580 547950072 /nfs/dbraw/zinc/95/00/72/547950072.db2.gz CTUJSFCTAJFIRJ-ZDUSSCGKSA-N 1 0 357.414 2.212 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000185282262 547964821 /nfs/dbraw/zinc/96/48/21/547964821.db2.gz LCWXHGXICRXFQJ-DOMZBBRYSA-N 1 0 371.434 2.147 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185489032 547991936 /nfs/dbraw/zinc/99/19/36/547991936.db2.gz DQJMRIYKMZVCRN-GXTWGEPZSA-N 1 0 355.410 2.310 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000485620089 561324226 /nfs/dbraw/zinc/32/42/26/561324226.db2.gz LJQYQZXDRIUQKM-VXGBXAGGSA-N 1 0 371.384 2.031 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc([N+](=O)[O-])c1 ZINC000186177439 548095799 /nfs/dbraw/zinc/09/57/99/548095799.db2.gz USUUKXXJWNMGPN-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186649789 548165997 /nfs/dbraw/zinc/16/59/97/548165997.db2.gz KVTMAGUWKIAXNP-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186752995 548185008 /nfs/dbraw/zinc/18/50/08/548185008.db2.gz JQUMDZXAVDBPQA-ZDUSSCGKSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000194620313 548506755 /nfs/dbraw/zinc/50/67/55/548506755.db2.gz NDQLCUPXARTSFX-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194627983 548507979 /nfs/dbraw/zinc/50/79/79/548507979.db2.gz SBIYLTSPUKPQKQ-MRXNPFEDSA-N 1 0 360.458 2.412 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000194814899 548535610 /nfs/dbraw/zinc/53/56/10/548535610.db2.gz PIZJZYYSXPMPGR-UHFFFAOYSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000194962003 548556203 /nfs/dbraw/zinc/55/62/03/548556203.db2.gz RNEZKEDUCAUMQS-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cn1c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487038309 561361991 /nfs/dbraw/zinc/36/19/91/561361991.db2.gz HOMNEKGWHCDGLL-MRXNPFEDSA-N 1 0 356.426 2.228 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCC2)cc1OC ZINC000237050310 548796740 /nfs/dbraw/zinc/79/67/40/548796740.db2.gz HZRDIPLCOAJIJL-UHFFFAOYSA-N 1 0 351.403 2.394 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237665972 548843244 /nfs/dbraw/zinc/84/32/44/548843244.db2.gz OTGZKOIWSFRRIJ-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H]1c1ccccc1 ZINC000245515307 548936807 /nfs/dbraw/zinc/93/68/07/548936807.db2.gz DKYZIZZLUDFQBN-RHSMWYFYSA-N 1 0 369.377 2.499 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCCC[C@H]1O ZINC000245560602 548946995 /nfs/dbraw/zinc/94/69/95/548946995.db2.gz WSLFTSLSSMKDSQ-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488020729 561381514 /nfs/dbraw/zinc/38/15/14/561381514.db2.gz BYPKQLZLYXXYTK-OWCLPIDISA-N 1 0 352.431 2.472 20 5 FEBDRO O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000245734370 548985094 /nfs/dbraw/zinc/98/50/94/548985094.db2.gz BCSFBTQYTKLMRD-IAOVAPTHSA-N 1 0 368.393 2.468 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246319707 549105014 /nfs/dbraw/zinc/10/50/14/549105014.db2.gz DCCYEMWOPQTDII-UTUOFQBUSA-N 1 0 361.489 2.301 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000488639862 561393726 /nfs/dbraw/zinc/39/37/26/561393726.db2.gz HNZWCCMWZYUZIW-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246654566 549183328 /nfs/dbraw/zinc/18/33/28/549183328.db2.gz LKLMVPAPMNZIOG-XJKSGUPXSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000247042642 549271337 /nfs/dbraw/zinc/27/13/37/549271337.db2.gz MUSIXMJEYFMABT-HOCLYGCPSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247230042 549303274 /nfs/dbraw/zinc/30/32/74/549303274.db2.gz RYTUYUMTQLDJTR-BBRMVZONSA-N 1 0 371.441 2.420 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000248458630 549443511 /nfs/dbraw/zinc/44/35/11/549443511.db2.gz NCJQHAJSCSQYQG-MJGOQNOKSA-N 1 0 371.437 2.323 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000248678552 549482878 /nfs/dbraw/zinc/48/28/78/549482878.db2.gz UXODXLKRVJRREQ-UKRRQHHQSA-N 1 0 357.414 2.062 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249183937 549565520 /nfs/dbraw/zinc/56/55/20/549565520.db2.gz NQVMFRPRYYQSMP-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249659172 549615237 /nfs/dbraw/zinc/61/52/37/549615237.db2.gz VVCWICDKCQEHEK-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000490043140 561425075 /nfs/dbraw/zinc/42/50/75/561425075.db2.gz YKDBPMXJJLFHOU-LSDHHAIUSA-N 1 0 369.377 2.151 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261601468 549733061 /nfs/dbraw/zinc/73/30/61/549733061.db2.gz BLPAZMKUUBOMDT-HNNXBMFYSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261603030 549733266 /nfs/dbraw/zinc/73/32/66/549733266.db2.gz CEFOJGMTIPASCF-RNCFNFMXSA-N 1 0 354.204 2.181 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1SC ZINC000490095182 561426447 /nfs/dbraw/zinc/42/64/47/561426447.db2.gz YFJSAFVYIISXFC-JTQLQIEISA-N 1 0 351.428 2.292 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261714687 549746886 /nfs/dbraw/zinc/74/68/86/549746886.db2.gz PLLQKFBDYNUEJJ-GXSJLCMTSA-N 1 0 354.204 2.039 20 5 FEBDRO [NH3+][C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1c1ccccc1 ZINC000261880165 549766030 /nfs/dbraw/zinc/76/60/30/549766030.db2.gz YJCNPGJUBFFCIR-OTWHNJEPSA-N 1 0 366.421 2.127 20 5 FEBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000261934090 549771115 /nfs/dbraw/zinc/77/11/15/549771115.db2.gz JXOOWHFOCDETOX-QGZVFWFLSA-N 1 0 371.441 2.225 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639385 549834101 /nfs/dbraw/zinc/83/41/01/549834101.db2.gz PUAUVTSSQVCWDI-RTXFEEFZSA-N 1 0 353.806 2.368 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000490439711 561433224 /nfs/dbraw/zinc/43/32/24/561433224.db2.gz CJHFFRXXNKVGAQ-AWEZNQCLSA-N 1 0 367.471 2.398 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064063 /nfs/dbraw/zinc/06/40/63/550064063.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 1 0 361.402 2.288 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000268971349 550139007 /nfs/dbraw/zinc/13/90/07/550139007.db2.gz MXFOTBAECFWNNI-HOTGVXAUSA-N 1 0 365.455 2.438 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269808613 550227351 /nfs/dbraw/zinc/22/73/51/550227351.db2.gz GQRHMYMLTRFLKB-CYBMUJFWSA-N 1 0 363.414 2.216 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000270755856 550303870 /nfs/dbraw/zinc/30/38/70/550303870.db2.gz DIBXDVHKUMUADD-GFCCVEGCSA-N 1 0 363.443 2.032 20 5 FEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000270794339 550307348 /nfs/dbraw/zinc/30/73/48/550307348.db2.gz KQGNHRYKUOCXJK-GFCCVEGCSA-N 1 0 359.386 2.291 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797177 550307986 /nfs/dbraw/zinc/30/79/86/550307986.db2.gz FJJFPMKIRFGPPQ-MJGOQNOKSA-N 1 0 369.421 2.208 20 5 FEBDRO CCc1nn(C)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000271328006 550365321 /nfs/dbraw/zinc/36/53/21/550365321.db2.gz VGLKAELRFYQZDN-UHFFFAOYSA-N 1 0 373.457 2.460 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000271733466 550398625 /nfs/dbraw/zinc/39/86/25/550398625.db2.gz TVPCPDYNGNILTO-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337491 550438970 /nfs/dbraw/zinc/43/89/70/550438970.db2.gz XVKJEWCTNRJFAN-CJNGLKHVSA-N 1 0 371.441 2.277 20 5 FEBDRO CC[C@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000494494489 561470695 /nfs/dbraw/zinc/47/06/95/561470695.db2.gz LJOIVAZRJQWKDQ-PBHICJAKSA-N 1 0 364.446 2.012 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273247524 550491594 /nfs/dbraw/zinc/49/15/94/550491594.db2.gz YLPDDHVMPXXBGP-LBPRGKRZSA-N 1 0 373.862 2.177 20 5 FEBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273368509 550495939 /nfs/dbraw/zinc/49/59/39/550495939.db2.gz RIRUDCGMPNYSHL-HNNXBMFYSA-N 1 0 364.398 2.385 20 5 FEBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000273500594 550500647 /nfs/dbraw/zinc/50/06/47/550500647.db2.gz OBYTUKDSMFISOE-OAHLLOKOSA-N 1 0 369.425 2.190 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106650 550523277 /nfs/dbraw/zinc/52/32/77/550523277.db2.gz VJLRSFIQPGAVOQ-GRYCIOLGSA-N 1 0 367.402 2.108 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637510 561473078 /nfs/dbraw/zinc/47/30/78/561473078.db2.gz OVLIGOXUULXBQG-ZFWWWQNUSA-N 1 0 352.412 2.028 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)c1sccc1C ZINC000494678394 561473985 /nfs/dbraw/zinc/47/39/85/561473985.db2.gz BHKTUVZQACCYQX-ZDUSSCGKSA-N 1 0 365.411 2.235 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277480082 550675863 /nfs/dbraw/zinc/67/58/63/550675863.db2.gz IQGGKJNNIAHKEL-ZDUSSCGKSA-N 1 0 351.378 2.246 20 5 FEBDRO C[C@H]1C[N@H+](CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCO1 ZINC000277660737 550698020 /nfs/dbraw/zinc/69/80/20/550698020.db2.gz OYUQFPAJUFJYGK-ZDUSSCGKSA-N 1 0 362.430 2.392 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCO1 ZINC000277660734 550698130 /nfs/dbraw/zinc/69/81/30/550698130.db2.gz OYUQFPAJUFJYGK-CYBMUJFWSA-N 1 0 362.430 2.392 20 5 FEBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754045 550710123 /nfs/dbraw/zinc/71/01/23/550710123.db2.gz RTRQPFSODYBJMU-LSDHHAIUSA-N 1 0 364.446 2.456 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277843294 550720604 /nfs/dbraw/zinc/72/06/04/550720604.db2.gz SDOAEUPVTLAYHW-UHFFFAOYSA-N 1 0 374.445 2.392 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000278334494 550774390 /nfs/dbraw/zinc/77/43/90/550774390.db2.gz WPHUDEKRVCXLMO-DTWKUNHWSA-N 1 0 359.329 2.075 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000495174795 561483598 /nfs/dbraw/zinc/48/35/98/561483598.db2.gz NPNHFGXQMQKUFN-IUWMUCMRSA-N 1 0 367.409 2.111 20 5 FEBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278958180 550840164 /nfs/dbraw/zinc/84/01/64/550840164.db2.gz BCKODYDYVDRCCL-WBMJQRKESA-N 1 0 367.471 2.188 20 5 FEBDRO COC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000279133839 550857586 /nfs/dbraw/zinc/85/75/86/550857586.db2.gz WOIKEQHVGVXCJD-HOTGVXAUSA-N 1 0 351.403 2.015 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279236787 550868178 /nfs/dbraw/zinc/86/81/78/550868178.db2.gz JQIFWFHAQOFFOW-OCCSQVGLSA-N 1 0 351.403 2.073 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@@H+]1C1CC1 ZINC000279367791 550882245 /nfs/dbraw/zinc/88/22/45/550882245.db2.gz GQNPVIXWTSRQPC-GHMZBOCLSA-N 1 0 350.394 2.155 20 5 FEBDRO C[C@H]1C[C@@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456384 561488282 /nfs/dbraw/zinc/48/82/82/561488282.db2.gz AJVSFHUEHLRWRW-DZGCQCFKSA-N 1 0 357.414 2.348 20 5 FEBDRO C[C@H]1OCC[C@]12C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969350 550948251 /nfs/dbraw/zinc/94/82/51/550948251.db2.gz YUJKKLYQPZSVKY-LBTNJELSSA-N 1 0 363.414 2.192 20 5 FEBDRO CS[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000495713777 561490441 /nfs/dbraw/zinc/49/04/41/561490441.db2.gz RXVMDWNUCWCWIS-LSDHHAIUSA-N 1 0 351.472 2.376 20 5 FEBDRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000281316305 551083934 /nfs/dbraw/zinc/08/39/34/551083934.db2.gz ZLQFMEGENWRBHE-SJCJKPOMSA-N 1 0 369.425 2.120 20 5 FEBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000281543309 551111441 /nfs/dbraw/zinc/11/14/41/551111441.db2.gz BJYQHXMKAOQFQT-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000281886888 551153294 /nfs/dbraw/zinc/15/32/94/551153294.db2.gz XWQPCDXKCPBMEM-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(OCCO)CCOCC1)C1CC1 ZINC000282471062 551233962 /nfs/dbraw/zinc/23/39/62/551233962.db2.gz GLIONXCWGFMSFE-KRWDZBQOSA-N 1 0 364.442 2.064 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C2)CC1 ZINC000497555323 561503767 /nfs/dbraw/zinc/50/37/67/561503767.db2.gz WEJAXEOPZCBSBR-AWEZNQCLSA-N 1 0 367.471 2.166 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282868080 551279657 /nfs/dbraw/zinc/27/96/57/551279657.db2.gz VZJNNAMXFQJZDT-INIZCTEOSA-N 1 0 371.441 2.359 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000283474307 551372131 /nfs/dbraw/zinc/37/21/31/551372131.db2.gz IROWXUGLEAELJC-HNNXBMFYSA-N 1 0 357.414 2.348 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000498071036 561515348 /nfs/dbraw/zinc/51/53/48/561515348.db2.gz YSHLQHMVMCIMGG-UHFFFAOYSA-N 1 0 365.455 2.036 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000498569000 561528862 /nfs/dbraw/zinc/52/88/62/561528862.db2.gz DUERDCSUDLRRDR-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284903331 551663495 /nfs/dbraw/zinc/66/34/95/551663495.db2.gz UYLBHQJUWYOKSW-ZDUSSCGKSA-N 1 0 350.375 2.384 20 5 FEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498709545 561532262 /nfs/dbraw/zinc/53/22/62/561532262.db2.gz KFTJMSKHMOZDGV-OAHLLOKOSA-N 1 0 360.458 2.364 20 5 FEBDRO CCC[C@H](C)N(C)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498826984 561535293 /nfs/dbraw/zinc/53/52/93/561535293.db2.gz CXFFCOLIRUJYLH-ZDUSSCGKSA-N 1 0 372.491 2.060 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000285458576 551759429 /nfs/dbraw/zinc/75/94/29/551759429.db2.gz ZCCHYLZJDHWDSF-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000285667095 551792062 /nfs/dbraw/zinc/79/20/62/551792062.db2.gz ZLAQBQMDHIOQTE-GOEBONIOSA-N 1 0 355.460 2.101 20 5 FEBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1Cc1ccccc1 ZINC000285861029 551819863 /nfs/dbraw/zinc/81/98/63/551819863.db2.gz YYZXARKXBWMISM-CQSZACIVSA-N 1 0 372.400 2.315 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000498887415 561536830 /nfs/dbraw/zinc/53/68/30/561536830.db2.gz GPDRKWMHBWYLSX-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286565348 551900486 /nfs/dbraw/zinc/90/04/86/551900486.db2.gz DOKICWRGPWQRDP-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)n1 ZINC000286702926 551916502 /nfs/dbraw/zinc/91/65/02/551916502.db2.gz KHGOWOXTOIIWKK-OAHLLOKOSA-N 1 0 370.409 2.140 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000287007263 551951013 /nfs/dbraw/zinc/95/10/13/551951013.db2.gz HRCMXJILVHFJNJ-LRDDRELGSA-N 1 0 361.398 2.080 20 5 FEBDRO C[C@H]1C[N@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCO1 ZINC000287782197 552045782 /nfs/dbraw/zinc/04/57/82/552045782.db2.gz OJLGEUYVDJWEIR-LBPRGKRZSA-N 1 0 361.402 2.156 20 5 FEBDRO CCc1nn(C)c(NCc2ccncc2OCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000288241610 552117275 /nfs/dbraw/zinc/11/72/75/552117275.db2.gz OFEMSXNFUFNGBO-UHFFFAOYSA-N 1 0 362.434 2.228 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360194 552140199 /nfs/dbraw/zinc/14/01/99/552140199.db2.gz KORMROJYSOSPLV-JQWIXIFHSA-N 1 0 361.427 2.298 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000288864686 552227055 /nfs/dbraw/zinc/22/70/55/552227055.db2.gz LHQKZELLPZDGSY-DLBZAZTESA-N 1 0 373.457 2.415 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000500151821 561566899 /nfs/dbraw/zinc/56/68/99/561566899.db2.gz VPKULJYJJAQQJQ-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000289410622 552316349 /nfs/dbraw/zinc/31/63/49/552316349.db2.gz AHFOAAWLDUBPNK-LBPRGKRZSA-N 1 0 362.167 2.468 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(=O)n1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000289433915 552320814 /nfs/dbraw/zinc/32/08/14/552320814.db2.gz SKHDGRXLTRGNJI-KRWDZBQOSA-N 1 0 357.410 2.356 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000500466294 561573957 /nfs/dbraw/zinc/57/39/57/561573957.db2.gz WZCBJTGTIMURCJ-DZKOEADISA-N 1 0 367.471 2.306 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000289610499 552349233 /nfs/dbraw/zinc/34/92/33/552349233.db2.gz AOMMEMHOOJNKQZ-UHFFFAOYSA-N 1 0 363.462 2.305 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290125292 552430725 /nfs/dbraw/zinc/43/07/25/552430725.db2.gz LLJKBBDNYODGBJ-HNNXBMFYSA-N 1 0 369.425 2.242 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000290242014 552447411 /nfs/dbraw/zinc/44/74/11/552447411.db2.gz WXQDRQXJBBXWKN-UHFFFAOYSA-N 1 0 361.446 2.032 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000290356480 552466287 /nfs/dbraw/zinc/46/62/87/552466287.db2.gz YXLFDXXSHIOCNY-CYBMUJFWSA-N 1 0 362.430 2.086 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000290407429 552474389 /nfs/dbraw/zinc/47/43/89/552474389.db2.gz GAMQYQICKDZHDW-CXAGYDPISA-N 1 0 374.441 2.181 20 5 FEBDRO C[NH+](C)CCN(CCCc1ccccc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290789160 552538618 /nfs/dbraw/zinc/53/86/18/552538618.db2.gz OCAUMRICSUWPRT-UHFFFAOYSA-N 1 0 371.441 2.090 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290872364 552553240 /nfs/dbraw/zinc/55/32/40/552553240.db2.gz ZUVHVDFCUXHCPX-HNNXBMFYSA-N 1 0 369.425 2.047 20 5 FEBDRO C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290890966 552556434 /nfs/dbraw/zinc/55/64/34/552556434.db2.gz DNNIDBIHUPYMBW-HNNXBMFYSA-N 1 0 365.478 2.181 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000291342951 552616740 /nfs/dbraw/zinc/61/67/40/552616740.db2.gz QYWUTSZYWIYIDV-UHFFFAOYSA-N 1 0 364.446 2.286 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000291438055 552624486 /nfs/dbraw/zinc/62/44/86/552624486.db2.gz ZCKPDXZGQMFVIA-MRXNPFEDSA-N 1 0 374.441 2.229 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292077174 552691339 /nfs/dbraw/zinc/69/13/39/552691339.db2.gz FHDCDPRKAZJLNG-HZPDHXFCSA-N 1 0 350.415 2.083 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000292919176 552771261 /nfs/dbraw/zinc/77/12/61/552771261.db2.gz XVOFRDJIECURNK-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293534335 552833289 /nfs/dbraw/zinc/83/32/89/552833289.db2.gz XGDJGVIMCVVFTF-SNVBAGLBSA-N 1 0 361.320 2.064 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293815952 552859122 /nfs/dbraw/zinc/85/91/22/552859122.db2.gz FUKLAKOWMHARLL-QHFGJBOXSA-N 1 0 359.426 2.320 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000293906318 552866714 /nfs/dbraw/zinc/86/67/14/552866714.db2.gz WLIBUAUFDGCVOK-UHFFFAOYSA-N 1 0 355.460 2.280 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000293976788 552872429 /nfs/dbraw/zinc/87/24/29/552872429.db2.gz VEVKFBICEBIECY-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000294184545 552888619 /nfs/dbraw/zinc/88/86/19/552888619.db2.gz JXQNEFIOERJUOX-UHFFFAOYSA-N 1 0 351.451 2.250 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259885 552891951 /nfs/dbraw/zinc/89/19/51/552891951.db2.gz SYMCXQLSVSVOSB-IBGZPJMESA-N 1 0 369.425 2.338 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000294392686 552902674 /nfs/dbraw/zinc/90/26/74/552902674.db2.gz JXYPQCCCBFXMSS-IUODEOHRSA-N 1 0 364.421 2.356 20 5 FEBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000295040964 552953497 /nfs/dbraw/zinc/95/34/97/552953497.db2.gz FYBOKSOGHMYRLJ-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295772690 553057195 /nfs/dbraw/zinc/05/71/95/553057195.db2.gz SROGTJBYNVBILI-QGZVFWFLSA-N 1 0 364.442 2.352 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296145356 553112071 /nfs/dbraw/zinc/11/20/71/553112071.db2.gz KBIPCXFYJGVXFI-UHFFFAOYSA-N 1 0 374.441 2.229 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502682836 561623334 /nfs/dbraw/zinc/62/33/34/561623334.db2.gz XFSJUJNJVJFJFU-OAUYIBNBSA-N 1 0 365.405 2.159 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000502901070 561629364 /nfs/dbraw/zinc/62/93/64/561629364.db2.gz CFBYQJBNWHMFJQ-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccnn1CC[NH+](C)C ZINC000297155000 553257112 /nfs/dbraw/zinc/25/71/12/553257112.db2.gz GJPBPXCNCJCMJK-UHFFFAOYSA-N 1 0 360.418 2.059 20 5 FEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297514569 553302692 /nfs/dbraw/zinc/30/26/92/553302692.db2.gz NHLNKXREIGGNCR-UHFFFAOYSA-N 1 0 374.441 2.384 20 5 FEBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000298045111 553376255 /nfs/dbraw/zinc/37/62/55/553376255.db2.gz HEVFUYWFRZCYTO-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000298126640 553387628 /nfs/dbraw/zinc/38/76/28/553387628.db2.gz NGLSFEIYGQIBHI-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000503424073 561640989 /nfs/dbraw/zinc/64/09/89/561640989.db2.gz FJIBUMIEGSSMCU-GJZGRUSLSA-N 1 0 369.487 2.320 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298368597 553417587 /nfs/dbraw/zinc/41/75/87/553417587.db2.gz CRSBPZTZSDSBSO-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000298960952 553495507 /nfs/dbraw/zinc/49/55/07/553495507.db2.gz DZIQGKPYABEZCK-UHFFFAOYSA-N 1 0 372.425 2.261 20 5 FEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCCCC1 ZINC000299021596 553504478 /nfs/dbraw/zinc/50/44/78/553504478.db2.gz VSDAWGNXLVRWID-CYBMUJFWSA-N 1 0 363.414 2.218 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299237752 553534831 /nfs/dbraw/zinc/53/48/31/553534831.db2.gz IMYGFOTWNVCMAH-UHFFFAOYSA-N 1 0 364.446 2.014 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000299258902 553538158 /nfs/dbraw/zinc/53/81/58/553538158.db2.gz OEORWYRYGBOIQH-UHFFFAOYSA-N 1 0 371.441 2.054 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299286214 553542576 /nfs/dbraw/zinc/54/25/76/553542576.db2.gz NLWVTWHPXHNDGP-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000299378520 553555497 /nfs/dbraw/zinc/55/54/97/553555497.db2.gz WCYSDWRVVFKCNF-HNNXBMFYSA-N 1 0 355.398 2.111 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CC)CC2)cc1OC ZINC000299472140 553568300 /nfs/dbraw/zinc/56/83/00/553568300.db2.gz BBRLPIDEUYIVCG-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2cccc(N3CC[NH+](C(C)C)CC3)c2)c1[N+](=O)[O-] ZINC000504189536 561654415 /nfs/dbraw/zinc/65/44/15/561654415.db2.gz ZPAIRNAVORPLNJ-UHFFFAOYSA-N 1 0 372.429 2.409 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299613066 553589070 /nfs/dbraw/zinc/58/90/70/553589070.db2.gz JBNLIYLKHBTSFL-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO C[C@@H]1CCC[C@@](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301097493 553621846 /nfs/dbraw/zinc/62/18/46/553621846.db2.gz PVINJAXZTWJPLX-MLGOLLRUSA-N 1 0 370.475 2.165 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301126948 553623935 /nfs/dbraw/zinc/62/39/35/553623935.db2.gz WWQQZXSJBZCFAE-CHWSQXEVSA-N 1 0 364.446 2.254 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C1 ZINC000301304051 553640583 /nfs/dbraw/zinc/64/05/83/553640583.db2.gz SSUOQFYLPGMWKH-QGZVFWFLSA-N 1 0 355.442 2.359 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000301309799 553641092 /nfs/dbraw/zinc/64/10/92/553641092.db2.gz YDNPKXLGLBTKCV-CQSZACIVSA-N 1 0 355.398 2.165 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840040 553684453 /nfs/dbraw/zinc/68/44/53/553684453.db2.gz ADNKTMMFELIWFK-KGLIPLIRSA-N 1 0 373.438 2.351 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](N3CCCC3)C2)s1 ZINC000302003610 553697223 /nfs/dbraw/zinc/69/72/23/553697223.db2.gz YNJYSVLSPXRHPN-NSHDSACASA-N 1 0 359.473 2.124 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000324977413 553774343 /nfs/dbraw/zinc/77/43/43/553774343.db2.gz QBFHDWDNOKBFOI-HZPDHXFCSA-N 1 0 353.444 2.031 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506529181 561701174 /nfs/dbraw/zinc/70/11/74/561701174.db2.gz YWJJTFINMBFOGY-ZDUSSCGKSA-N 1 0 357.414 2.480 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330879787 554182589 /nfs/dbraw/zinc/18/25/89/554182589.db2.gz AYPLQHKYWMNOBO-UONOGXRCSA-N 1 0 355.460 2.254 20 5 FEBDRO CN(C)[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539951 554282640 /nfs/dbraw/zinc/28/26/40/554282640.db2.gz FQACLKCWBBPESV-LZWOXQAQSA-N 1 0 353.492 2.302 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331851152 554330722 /nfs/dbraw/zinc/33/07/22/554330722.db2.gz CZZLGZULHHFHFR-KGLIPLIRSA-N 1 0 353.444 2.056 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000331922143 554346917 /nfs/dbraw/zinc/34/69/17/554346917.db2.gz JSHWHWUUGDHTOD-IAGOWNOFSA-N 1 0 363.483 2.484 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000331951720 554351113 /nfs/dbraw/zinc/35/11/13/554351113.db2.gz SSSFTFUNDUXAND-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000331962886 554353413 /nfs/dbraw/zinc/35/34/13/554353413.db2.gz VGHLLVUPVRDDKC-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332013188 554363290 /nfs/dbraw/zinc/36/32/90/554363290.db2.gz PMRKIGYUJSSYSB-ZWNOBZJWSA-N 1 0 355.341 2.362 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066180 554372876 /nfs/dbraw/zinc/37/28/76/554372876.db2.gz RXYOUINKONYEKF-GOEBONIOSA-N 1 0 360.458 2.289 20 5 FEBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070978 554374141 /nfs/dbraw/zinc/37/41/41/554374141.db2.gz WNVMIEFRABIILV-UMVBOHGHSA-N 1 0 363.414 2.374 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000332072999 554374148 /nfs/dbraw/zinc/37/41/48/554374148.db2.gz DHHRKIOQFGWAQY-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000332347357 554430085 /nfs/dbraw/zinc/43/00/85/554430085.db2.gz UBQMBVQELQTORQ-KBPBESRZSA-N 1 0 363.414 2.359 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000332526349 554463015 /nfs/dbraw/zinc/46/30/15/554463015.db2.gz OUZZRNAOJKSGOI-IUODEOHRSA-N 1 0 361.398 2.080 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000511045048 561854698 /nfs/dbraw/zinc/85/46/98/561854698.db2.gz JCAUUFDTVCZTMD-OAHLLOKOSA-N 1 0 363.439 2.046 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000361503829 554922404 /nfs/dbraw/zinc/92/24/04/554922404.db2.gz PYYZDMYATWKMCJ-COXVUDFISA-N 1 0 374.441 2.350 20 5 FEBDRO COCc1nccc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781498 554988146 /nfs/dbraw/zinc/98/81/46/554988146.db2.gz NRCKLMNESUFLSO-CRAIPNDOSA-N 1 0 372.425 2.444 20 5 FEBDRO CN(C(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000363044920 555017483 /nfs/dbraw/zinc/01/74/83/555017483.db2.gz ZSNSXYDEXOJNFN-UHFFFAOYSA-N 1 0 357.414 2.166 20 5 FEBDRO O=C(CC[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCOc2ccccc2C1 ZINC000363406986 555097925 /nfs/dbraw/zinc/09/79/25/555097925.db2.gz ZMNPELXEJDGXKE-UHFFFAOYSA-N 1 0 355.394 2.496 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000363829071 555194698 /nfs/dbraw/zinc/19/46/98/555194698.db2.gz SSBGEYRALAGTEH-HZPDHXFCSA-N 1 0 362.430 2.356 20 5 FEBDRO O=C(NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)c1ccoc1 ZINC000363950273 555220121 /nfs/dbraw/zinc/22/01/21/555220121.db2.gz DBJZGEUWMIWGHW-UHFFFAOYSA-N 1 0 359.382 2.461 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2cccs2)CC1 ZINC000364022024 555235080 /nfs/dbraw/zinc/23/50/80/555235080.db2.gz LSZFWUPJDXIKAC-UHFFFAOYSA-N 1 0 361.427 2.227 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000364058946 555242522 /nfs/dbraw/zinc/24/25/22/555242522.db2.gz IQLFBZROOSRCJI-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO Cc1c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364075570 555245302 /nfs/dbraw/zinc/24/53/02/555245302.db2.gz MSPURJXQZFKJPE-CYBMUJFWSA-N 1 0 362.386 2.430 20 5 FEBDRO Nc1ncnc2sc3c(c21)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C3 ZINC000364079185 555246046 /nfs/dbraw/zinc/24/60/46/555246046.db2.gz KRUPCADRNQLJRU-CYBMUJFWSA-N 1 0 371.422 2.273 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1cccnc1 ZINC000364540481 555332966 /nfs/dbraw/zinc/33/29/66/555332966.db2.gz VPNSGSBSVTUYTD-SJCJKPOMSA-N 1 0 373.388 2.134 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1O ZINC000364671442 555369870 /nfs/dbraw/zinc/36/98/70/555369870.db2.gz GWPRBQBBWHUGOM-LIRRHRJNSA-N 1 0 372.425 2.487 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000365057904 555475302 /nfs/dbraw/zinc/47/53/02/555475302.db2.gz CTIVIZRVKLSZQX-GXTWGEPZSA-N 1 0 359.835 2.140 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365187223 555505664 /nfs/dbraw/zinc/50/56/64/555505664.db2.gz ZHIMELHJXLLWED-RDTXWAMCSA-N 1 0 372.429 2.181 20 5 FEBDRO Cn1ccnc1N1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000365467095 555583517 /nfs/dbraw/zinc/58/35/17/555583517.db2.gz TZASSYVQUWKSGX-VOTSOKGWSA-N 1 0 355.398 2.127 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365996005 555722068 /nfs/dbraw/zinc/72/20/68/555722068.db2.gz KHGXUHCUMWEHPA-DZGCQCFKSA-N 1 0 364.450 2.011 20 5 FEBDRO Cc1ccn(C2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000366764131 555927923 /nfs/dbraw/zinc/92/79/23/555927923.db2.gz UDZAPRIBOBPHFT-MRXNPFEDSA-N 1 0 360.414 2.177 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243055 561965324 /nfs/dbraw/zinc/96/53/24/561965324.db2.gz XFQCFCGKAQGXDW-RTXFEEFZSA-N 1 0 351.403 2.408 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366837460 555947580 /nfs/dbraw/zinc/94/75/80/555947580.db2.gz GBLBMVZZPPNUAZ-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO CCOc1cc(NC(=O)N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000514719374 561975731 /nfs/dbraw/zinc/97/57/31/561975731.db2.gz INTXLJJWGRFOHD-NSHDSACASA-N 1 0 352.391 2.218 20 5 FEBDRO O=C1CC[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C2CC2)N1 ZINC000367450686 556052759 /nfs/dbraw/zinc/05/27/59/556052759.db2.gz PAZKWAFKNUMQDJ-DOTOQJQBSA-N 1 0 356.382 2.397 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000367476745 556060772 /nfs/dbraw/zinc/06/07/72/556060772.db2.gz XGTJIAHFIKSRFJ-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000367612711 556097271 /nfs/dbraw/zinc/09/72/71/556097271.db2.gz QLGLPNAPXWODHB-OAHLLOKOSA-N 1 0 357.414 2.031 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367648960 556105011 /nfs/dbraw/zinc/10/50/11/556105011.db2.gz OGYUSAFRZICMBN-PHDAOHEYSA-N 1 0 369.425 2.416 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000367652115 556105726 /nfs/dbraw/zinc/10/57/26/556105726.db2.gz AJDRTCNZLCETGK-ZBFHGGJFSA-N 1 0 369.425 2.385 20 5 FEBDRO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(F)c(F)c1 ZINC000367706251 556119294 /nfs/dbraw/zinc/11/92/94/556119294.db2.gz RVCYFYGYLSMBBQ-GOEBONIOSA-N 1 0 351.357 2.105 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@H]2CN2CCOCC2)s1 ZINC000367727930 556124646 /nfs/dbraw/zinc/12/46/46/556124646.db2.gz JYEFGVWTEGCOGZ-LBPRGKRZSA-N 1 0 363.443 2.291 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733861 556125864 /nfs/dbraw/zinc/12/58/64/556125864.db2.gz KIHRTQYGVGDBLW-LLVKDONJSA-N 1 0 362.459 2.180 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000368185612 556242258 /nfs/dbraw/zinc/24/22/58/556242258.db2.gz VMAYWDMDVDBWEJ-GFCCVEGCSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1cc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000368237637 556255374 /nfs/dbraw/zinc/25/53/74/556255374.db2.gz YUUIBGYPXQLHKF-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000368292113 556270342 /nfs/dbraw/zinc/27/03/42/556270342.db2.gz TVHIQUQKUMQPIR-UKRRQHHQSA-N 1 0 367.450 2.417 20 5 FEBDRO COc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000368460910 556316954 /nfs/dbraw/zinc/31/69/54/556316954.db2.gz DKFABYJKGIPACR-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000368766598 556408216 /nfs/dbraw/zinc/40/82/16/556408216.db2.gz JMVBTSLEJOTZDW-MRXNPFEDSA-N 1 0 362.430 2.373 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000368784255 556412076 /nfs/dbraw/zinc/41/20/76/556412076.db2.gz JVSNCTFPMFQJFV-UHFFFAOYSA-N 1 0 363.462 2.221 20 5 FEBDRO C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1Cc1ccccc1 ZINC000368821962 556422352 /nfs/dbraw/zinc/42/23/52/556422352.db2.gz DEBXIWFELJFSGR-DZGCQCFKSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000368844908 556427840 /nfs/dbraw/zinc/42/78/40/556427840.db2.gz JLTYPSHVBQSDGL-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000515570611 562015676 /nfs/dbraw/zinc/01/56/76/562015676.db2.gz QTMOFHLYKZSTAB-OIPACUDHSA-N 1 0 374.445 2.376 20 5 FEBDRO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000368867544 556433476 /nfs/dbraw/zinc/43/34/76/556433476.db2.gz RPHVIZSSBFJGCS-UHFFFAOYSA-N 1 0 365.405 2.449 20 5 FEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000368915839 556447167 /nfs/dbraw/zinc/44/71/67/556447167.db2.gz OESHQTLNXCLFRA-UHFFFAOYSA-N 1 0 363.443 2.336 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000368989723 556469467 /nfs/dbraw/zinc/46/94/67/556469467.db2.gz KDZUOBVZGZRALV-ZFWWWQNUSA-N 1 0 357.414 2.218 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374242 556583865 /nfs/dbraw/zinc/58/38/65/556583865.db2.gz IIBCEHMCFMIEHX-KBXCAEBGSA-N 1 0 363.414 2.112 20 5 FEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516288504 562038795 /nfs/dbraw/zinc/03/87/95/562038795.db2.gz IEDLLYWYYWYHES-UHFFFAOYSA-N 1 0 369.365 2.280 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3nc(-c4ccccn4)no3)C2)nc1 ZINC000369830379 556706626 /nfs/dbraw/zinc/70/66/26/556706626.db2.gz PLELKKLBWYOYLY-GFCCVEGCSA-N 1 0 367.369 2.121 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370059386 556769915 /nfs/dbraw/zinc/76/99/15/556769915.db2.gz HXRKNHYDDWETPJ-INIZCTEOSA-N 1 0 360.414 2.177 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000370062017 556770380 /nfs/dbraw/zinc/77/03/80/556770380.db2.gz WVLWNMZRACBNRU-GFCCVEGCSA-N 1 0 372.429 2.287 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000370083593 556776213 /nfs/dbraw/zinc/77/62/13/556776213.db2.gz RLDPLKQSQSHMBF-HOTGVXAUSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1sc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370770362 556963094 /nfs/dbraw/zinc/96/30/94/556963094.db2.gz GEAUGPRHIJLPLY-QWHCGFSZSA-N 1 0 353.444 2.195 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370829837 556981699 /nfs/dbraw/zinc/98/16/99/556981699.db2.gz JIKVAUNLMIVMPL-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(Nc1cccnc1)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370997267 557040020 /nfs/dbraw/zinc/04/00/20/557040020.db2.gz HNBMSSPFDACTPK-SFHVURJKSA-N 1 0 370.409 2.374 20 5 FEBDRO Cc1ccc(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000517551272 562092248 /nfs/dbraw/zinc/09/22/48/562092248.db2.gz BRGGLSUBLJXDQU-LJQANCHMSA-N 1 0 368.393 2.248 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000517569631 562092806 /nfs/dbraw/zinc/09/28/06/562092806.db2.gz MGOUIPXISIVUGV-UKRRQHHQSA-N 1 0 364.446 2.044 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000371534474 557213565 /nfs/dbraw/zinc/21/35/65/557213565.db2.gz FPBQQBSDEVKBQS-LMMKCTJWSA-N 1 0 372.469 2.289 20 5 FEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000518519027 562113499 /nfs/dbraw/zinc/11/34/99/562113499.db2.gz LDQIJDPOZWEBLU-HOTGVXAUSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092319 557378214 /nfs/dbraw/zinc/37/82/14/557378214.db2.gz RDXLSWSGZAQYNL-CRAIPNDOSA-N 1 0 363.458 2.283 20 5 FEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000518994049 562122901 /nfs/dbraw/zinc/12/29/01/562122901.db2.gz QVXYQNOLNMJMSR-UHFFFAOYSA-N 1 0 370.409 2.262 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000372332692 557442556 /nfs/dbraw/zinc/44/25/56/557442556.db2.gz TYAYBUVJWWJOJW-ZDUSSCGKSA-N 1 0 361.358 2.415 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000372451885 557474059 /nfs/dbraw/zinc/47/40/59/557474059.db2.gz RRWQENMRQDZTPN-UHFFFAOYSA-N 1 0 355.398 2.373 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558143 557504753 /nfs/dbraw/zinc/50/47/53/557504753.db2.gz RINQHSXJNNTAEV-KUHUBIRLSA-N 1 0 374.441 2.175 20 5 FEBDRO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722785 557547272 /nfs/dbraw/zinc/54/72/72/557547272.db2.gz BQLKSQDQTHJLMA-RDJZCZTQSA-N 1 0 370.409 2.374 20 5 FEBDRO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373220540 557652705 /nfs/dbraw/zinc/65/27/05/557652705.db2.gz NTWXOWDNKUEFOB-OAHLLOKOSA-N 1 0 371.441 2.475 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000373723488 557745312 /nfs/dbraw/zinc/74/53/12/557745312.db2.gz JVUAZLZWRHZAED-HZPDHXFCSA-N 1 0 353.444 2.049 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000373804153 557762744 /nfs/dbraw/zinc/76/27/44/557762744.db2.gz GQXCWSOMYCJFES-WMZOPIPTSA-N 1 0 363.414 2.193 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000373894479 557781848 /nfs/dbraw/zinc/78/18/48/557781848.db2.gz SCZFALOJINYKLY-HZMBPMFUSA-N 1 0 362.411 2.180 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccsc2)CC1 ZINC000374229825 557847441 /nfs/dbraw/zinc/84/74/41/557847441.db2.gz NEYGHXCVCYZMIZ-UHFFFAOYSA-N 1 0 361.427 2.227 20 5 FEBDRO O=C(NCC1CCOCC1)[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374392909 557877891 /nfs/dbraw/zinc/87/78/91/557877891.db2.gz UTWYKTVNNVLWMY-KRWDZBQOSA-N 1 0 365.405 2.241 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000374513628 557893464 /nfs/dbraw/zinc/89/34/64/557893464.db2.gz KIYNOXQSVZTZQX-UHFFFAOYSA-N 1 0 358.442 2.411 20 5 FEBDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850212 557940732 /nfs/dbraw/zinc/94/07/32/557940732.db2.gz KVBGPXUPSKFCFU-AEFFLSMTSA-N 1 0 371.441 2.405 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000374852603 557941192 /nfs/dbraw/zinc/94/11/92/557941192.db2.gz CQPRMLMXGVKMBP-LBPRGKRZSA-N 1 0 350.394 2.407 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375275655 558002798 /nfs/dbraw/zinc/00/27/98/558002798.db2.gz OIABEQZIWNUSBX-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375280735 558003715 /nfs/dbraw/zinc/00/37/15/558003715.db2.gz XUUJXMDSUGWBKR-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375467156 558032418 /nfs/dbraw/zinc/03/24/18/558032418.db2.gz XGRBEJDNICYJNE-ZFWWWQNUSA-N 1 0 374.397 2.084 20 5 FEBDRO COc1ccccc1N1CC[C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375673962 558065470 /nfs/dbraw/zinc/06/54/70/558065470.db2.gz RROSFBMSDMZVNN-HNNXBMFYSA-N 1 0 359.430 2.401 20 5 FEBDRO CCN1CCO[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375914632 558099008 /nfs/dbraw/zinc/09/90/08/558099008.db2.gz RZUIYFHGYNYASZ-LBPRGKRZSA-N 1 0 358.192 2.017 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000376534437 558186401 /nfs/dbraw/zinc/18/64/01/558186401.db2.gz GSADHSXMJNGJFW-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000377168189 558280751 /nfs/dbraw/zinc/28/07/51/558280751.db2.gz JTJCGVYESSRDBF-JQFCIGGWSA-N 1 0 374.441 2.350 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000522595853 562200104 /nfs/dbraw/zinc/20/01/04/562200104.db2.gz GEHUILBIOVEGAS-INIZCTEOSA-N 1 0 359.430 2.254 20 5 FEBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[NH+]2CCC1CC2 ZINC000522675252 562201525 /nfs/dbraw/zinc/20/15/25/562201525.db2.gz KLCITIAWSZTXAE-MRXNPFEDSA-N 1 0 356.382 2.015 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000378584368 558588691 /nfs/dbraw/zinc/58/86/91/558588691.db2.gz TWMCVZXSONLCIH-RKVPGOIHSA-N 1 0 367.409 2.178 20 5 FEBDRO Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000390009101 558610713 /nfs/dbraw/zinc/61/07/13/558610713.db2.gz SFITZYXWCXHNMG-LBPRGKRZSA-N 1 0 369.263 2.150 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000524450625 562228869 /nfs/dbraw/zinc/22/88/69/562228869.db2.gz UVFIJQLLZCSPOE-CQSZACIVSA-N 1 0 357.414 2.241 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524780776 562234663 /nfs/dbraw/zinc/23/46/63/562234663.db2.gz NAAUPNAYQNUFEF-UKRRQHHQSA-N 1 0 350.419 2.098 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000524805335 562235454 /nfs/dbraw/zinc/23/54/54/562235454.db2.gz WKINZFQCRQPMAV-HNNXBMFYSA-N 1 0 363.462 2.441 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411258985 558862252 /nfs/dbraw/zinc/86/22/52/558862252.db2.gz AEVKJNMCAUSEJH-MRXNPFEDSA-N 1 0 374.441 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH+](C3CCCC3)CC2)c1F ZINC000411325385 558877541 /nfs/dbraw/zinc/87/75/41/558877541.db2.gz OGSNHLVOKVTKRL-UHFFFAOYSA-N 1 0 365.405 2.372 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1F ZINC000411411016 558890015 /nfs/dbraw/zinc/89/00/15/558890015.db2.gz FIRWUVDZULHHKY-GFCCVEGCSA-N 1 0 353.394 2.276 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000411469219 558900210 /nfs/dbraw/zinc/90/02/10/558900210.db2.gz GBEMLQPPVAPNHL-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2[C@H](C)CC(O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411620823 558930663 /nfs/dbraw/zinc/93/06/63/558930663.db2.gz ZBGXIGTVVPBCSY-VXGBXAGGSA-N 1 0 351.403 2.166 20 5 FEBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411700818 558946671 /nfs/dbraw/zinc/94/66/71/558946671.db2.gz OBKYVHAVIBRZRH-MRXNPFEDSA-N 1 0 362.430 2.304 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000411907719 558986223 /nfs/dbraw/zinc/98/62/23/558986223.db2.gz GOTTUYXHLDKTPE-ZDUSSCGKSA-N 1 0 358.398 2.074 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000411968987 558997204 /nfs/dbraw/zinc/99/72/04/558997204.db2.gz PHFNFLBIFASFOS-IBGZPJMESA-N 1 0 373.384 2.372 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413826256 559133116 /nfs/dbraw/zinc/13/31/16/559133116.db2.gz YYUIWBPVUSPUCA-ZDUSSCGKSA-N 1 0 367.471 2.283 20 5 FEBDRO CC(C)(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000414271321 559154797 /nfs/dbraw/zinc/15/47/97/559154797.db2.gz WUBLHNMPYMHYRR-QWHCGFSZSA-N 1 0 358.464 2.078 20 5 FEBDRO COC(=O)COc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414852180 559190720 /nfs/dbraw/zinc/19/07/20/559190720.db2.gz QJYZJGBXYQFXAK-HNNXBMFYSA-N 1 0 365.430 2.144 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415597331 559254055 /nfs/dbraw/zinc/25/40/55/559254055.db2.gz JGNSLCDGRIWWMD-MEBBXXQBSA-N 1 0 364.402 2.281 20 5 FEBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000415601670 559254255 /nfs/dbraw/zinc/25/42/55/559254255.db2.gz QABGFOFGGAWTAO-UHFFFAOYSA-N 1 0 352.391 2.329 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415664278 559259490 /nfs/dbraw/zinc/25/94/90/559259490.db2.gz CPHUGLQPTQOPNW-FZMZJTMJSA-N 1 0 362.430 2.088 20 5 FEBDRO Cc1c(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cccc1[N+](=O)[O-] ZINC000415956777 559284782 /nfs/dbraw/zinc/28/47/82/559284782.db2.gz IYTRGCCDSPWYJD-CQSZACIVSA-N 1 0 355.398 2.436 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416307393 559304731 /nfs/dbraw/zinc/30/47/31/559304731.db2.gz KPRVSRDLNUOGRB-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO CC[NH+](CC)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416359084 559307392 /nfs/dbraw/zinc/30/73/92/559307392.db2.gz IDIIODLXJLZXJX-UHFFFAOYSA-N 1 0 369.365 2.234 20 5 FEBDRO C[N@H+](CCCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416502164 559318119 /nfs/dbraw/zinc/31/81/19/559318119.db2.gz OUIBTBDWSGJAFH-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000416569830 559322441 /nfs/dbraw/zinc/32/24/41/559322441.db2.gz YUTLIZJOARLDJT-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416658939 559328198 /nfs/dbraw/zinc/32/81/98/559328198.db2.gz GVAHARIZVVKKEW-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000416884518 559336537 /nfs/dbraw/zinc/33/65/37/559336537.db2.gz KWGMRELLRNEEED-DTWKUNHWSA-N 1 0 363.340 2.060 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000417189185 559352164 /nfs/dbraw/zinc/35/21/64/559352164.db2.gz WQXBUASDAMWBOU-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417857236 559379531 /nfs/dbraw/zinc/37/95/31/559379531.db2.gz UAVPLJOGUWCKDA-AEGPPILISA-N 1 0 350.419 2.112 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417996624 559385786 /nfs/dbraw/zinc/38/57/86/559385786.db2.gz SVRLJVMGIZPVTE-OCCSQVGLSA-N 1 0 352.822 2.184 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085144 559389647 /nfs/dbraw/zinc/38/96/47/559389647.db2.gz UEVFZCIEXCQPCT-AWEZNQCLSA-N 1 0 360.418 2.049 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418086006 559389716 /nfs/dbraw/zinc/38/97/16/559389716.db2.gz XHHSKBTXNWBSAH-AWEZNQCLSA-N 1 0 372.429 2.145 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418337062 559397989 /nfs/dbraw/zinc/39/79/89/559397989.db2.gz JBJQIUYSPOZHKF-CQSZACIVSA-N 1 0 362.430 2.147 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418597760 559407336 /nfs/dbraw/zinc/40/73/36/559407336.db2.gz YHQAUPWUXJBGAX-ZIAGYGMSSA-N 1 0 362.430 2.418 20 5 FEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338567 559438151 /nfs/dbraw/zinc/43/81/51/559438151.db2.gz LJICXLLJDUJAHX-GJZGRUSLSA-N 1 0 374.441 2.179 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420288293 559478855 /nfs/dbraw/zinc/47/88/55/559478855.db2.gz RYVFZAQCAGJQJH-OCCSQVGLSA-N 1 0 357.414 2.489 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000420317298 559480133 /nfs/dbraw/zinc/48/01/33/559480133.db2.gz ZIIZUFNZFHVAGL-SCDSUCTJSA-N 1 0 352.822 2.246 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CN)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420355581 559482762 /nfs/dbraw/zinc/48/27/62/559482762.db2.gz CBLSVKJXSMBQTE-INIZCTEOSA-N 1 0 364.446 2.429 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420406629 559486184 /nfs/dbraw/zinc/48/61/84/559486184.db2.gz RGRPSMRBYZVDSR-GOEBONIOSA-N 1 0 372.400 2.408 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420467144 559489002 /nfs/dbraw/zinc/48/90/02/559489002.db2.gz NBPYTRHLURZTMD-QWRGUYRKSA-N 1 0 361.851 2.352 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000420601276 559493668 /nfs/dbraw/zinc/49/36/68/559493668.db2.gz GGLMBZGUJBXPNG-UHFFFAOYSA-N 1 0 355.398 2.417 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421775550 559553113 /nfs/dbraw/zinc/55/31/13/559553113.db2.gz XQQMYLHSKFGIKT-AWEZNQCLSA-N 1 0 362.474 2.215 20 5 FEBDRO CC[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000422123045 559566556 /nfs/dbraw/zinc/56/65/56/559566556.db2.gz RCFFOMMDXKFNAB-LLVKDONJSA-N 1 0 350.156 2.060 20 5 FEBDRO CCOC(=O)CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000527298757 562284298 /nfs/dbraw/zinc/28/42/98/562284298.db2.gz FEDJXXPNMYVSGA-UHFFFAOYSA-N 1 0 365.386 2.166 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000422837279 559608015 /nfs/dbraw/zinc/60/80/15/559608015.db2.gz LTRKSNJMXOQZLJ-JTQLQIEISA-N 1 0 357.360 2.393 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000422836707 559608049 /nfs/dbraw/zinc/60/80/49/559608049.db2.gz RUDWUJANFVQIKY-INIZCTEOSA-N 1 0 363.414 2.409 20 5 FEBDRO Cn1ccnc1[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489413 559630106 /nfs/dbraw/zinc/63/01/06/559630106.db2.gz WLQJUHZBYJXOGE-KGLIPLIRSA-N 1 0 351.357 2.005 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000423524588 559631102 /nfs/dbraw/zinc/63/11/02/559631102.db2.gz ZRDLJGBDVGAKFJ-GFCCVEGCSA-N 1 0 356.382 2.457 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423951583 559647736 /nfs/dbraw/zinc/64/77/36/559647736.db2.gz ZCAJEQSURBYIAY-CQSZACIVSA-N 1 0 367.471 2.470 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423988926 559649183 /nfs/dbraw/zinc/64/91/83/559649183.db2.gz YTERFYZLPHEGFU-GLKRBJQHSA-N 1 0 355.822 2.459 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cccc1[N+](=O)[O-] ZINC000424008392 559650664 /nfs/dbraw/zinc/65/06/64/559650664.db2.gz HXOJPYOLANKWSV-AEFFLSMTSA-N 1 0 361.442 2.191 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424015154 559651217 /nfs/dbraw/zinc/65/12/17/559651217.db2.gz YIQVPYOKXAWXON-LSDHHAIUSA-N 1 0 359.357 2.309 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000424020019 559651427 /nfs/dbraw/zinc/65/14/27/559651427.db2.gz SDQJGUKHVLZAAO-VHSXEESVSA-N 1 0 373.356 2.262 20 5 FEBDRO [NH3+]C1(CNC(=O)COc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000424041888 559652339 /nfs/dbraw/zinc/65/23/39/559652339.db2.gz JQWHNRNDOBCYJS-UHFFFAOYSA-N 1 0 359.426 2.243 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000424467973 559666501 /nfs/dbraw/zinc/66/65/01/559666501.db2.gz OBIFUNVZOXFUCA-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000425479554 559704445 /nfs/dbraw/zinc/70/44/45/559704445.db2.gz PXIYJSWYJQFLCU-YPMHNXCESA-N 1 0 359.220 2.234 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427142989 559748849 /nfs/dbraw/zinc/74/88/49/559748849.db2.gz LJKCWLDDZYZXQB-SFHVURJKSA-N 1 0 361.442 2.241 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427153973 559749244 /nfs/dbraw/zinc/74/92/44/559749244.db2.gz UPVUIPKXODOJME-QGZVFWFLSA-N 1 0 365.405 2.451 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000430388301 559819194 /nfs/dbraw/zinc/81/91/94/559819194.db2.gz XYTRBHMAUZHJFP-ZDUSSCGKSA-N 1 0 367.471 2.236 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000430824401 559828824 /nfs/dbraw/zinc/82/88/24/559828824.db2.gz BCAPUNQBJNGMJZ-LSDHHAIUSA-N 1 0 351.451 2.117 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431042315 559833096 /nfs/dbraw/zinc/83/30/96/559833096.db2.gz GATMLKBFRMPJOS-UHFFFAOYSA-N 1 0 362.430 2.008 20 5 FEBDRO COc1cccc(NCC(=O)NCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000431512122 559840620 /nfs/dbraw/zinc/84/06/20/559840620.db2.gz DHHDFMZYEHLPIT-UHFFFAOYSA-N 1 0 350.419 2.008 20 5 FEBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433280677 559875609 /nfs/dbraw/zinc/87/56/09/559875609.db2.gz DNTPXMMMAJFEAW-HNNXBMFYSA-N 1 0 355.460 2.235 20 5 FEBDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000435747527 559929381 /nfs/dbraw/zinc/92/93/81/559929381.db2.gz JAQMMEQYYFLWSX-UHFFFAOYSA-N 1 0 357.410 2.360 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000436513674 559943822 /nfs/dbraw/zinc/94/38/22/559943822.db2.gz UUZAAESNUVARCY-UHFFFAOYSA-N 1 0 351.451 2.217 20 5 FEBDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000439481659 559995467 /nfs/dbraw/zinc/99/54/67/559995467.db2.gz KWAHYYYOBFHIAE-SUMWQHHRSA-N 1 0 350.419 2.235 20 5 FEBDRO COc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000440417221 560010769 /nfs/dbraw/zinc/01/07/69/560010769.db2.gz CDVQUSYYAKVLNG-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000444924695 560124908 /nfs/dbraw/zinc/12/49/08/560124908.db2.gz UDIFFBYNSIHCDW-CQSZACIVSA-N 1 0 366.418 2.178 20 5 FEBDRO C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C[NH+](C)C ZINC000445115216 560129183 /nfs/dbraw/zinc/12/91/83/560129183.db2.gz NGLSPXSOBIZEEC-NSHDSACASA-N 1 0 362.434 2.247 20 5 FEBDRO CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447530547 560164042 /nfs/dbraw/zinc/16/40/42/560164042.db2.gz OLIPESUVGYETQK-MRXNPFEDSA-N 1 0 355.460 2.233 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447937712 560173973 /nfs/dbraw/zinc/17/39/73/560173973.db2.gz BTPAOMMXGATEPM-HNNXBMFYSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000448660638 560193184 /nfs/dbraw/zinc/19/31/84/560193184.db2.gz ZWYVSCSPXKATQR-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C[NH+]1CCCC1 ZINC000448741529 560197530 /nfs/dbraw/zinc/19/75/30/560197530.db2.gz WVFRUGFQHHKBJV-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448843144 560202294 /nfs/dbraw/zinc/20/22/94/560202294.db2.gz CKHOVUVMHBMDRR-UHFFFAOYSA-N 1 0 357.414 2.447 20 5 FEBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000449069714 560214767 /nfs/dbraw/zinc/21/47/67/560214767.db2.gz YPGRZKPCDRMPIX-SFHVURJKSA-N 1 0 354.410 2.252 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000449234635 560221377 /nfs/dbraw/zinc/22/13/77/560221377.db2.gz QXZAHHNDBWUHAC-HOCLYGCPSA-N 1 0 371.441 2.040 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449629021 560235093 /nfs/dbraw/zinc/23/50/93/560235093.db2.gz JXAXSCAQNHURKI-CQSZACIVSA-N 1 0 365.430 2.063 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000449722573 560238228 /nfs/dbraw/zinc/23/82/28/560238228.db2.gz DMDMUWVVDMTJOX-LLVKDONJSA-N 1 0 369.727 2.413 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000449726511 560238292 /nfs/dbraw/zinc/23/82/92/560238292.db2.gz XPFSGZQKPCFWIH-GFCCVEGCSA-N 1 0 365.308 2.012 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149181 560252245 /nfs/dbraw/zinc/25/22/45/560252245.db2.gz VETJWJJDDHSVTR-SJKOYZFVSA-N 1 0 357.414 2.443 20 5 FEBDRO CC[C@@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000450310181 560258000 /nfs/dbraw/zinc/25/80/00/560258000.db2.gz CPUTZIRHNOLZLG-UONOGXRCSA-N 1 0 374.441 2.433 20 5 FEBDRO Cc1cc(N[C@@H](CO)C[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450522374 560264921 /nfs/dbraw/zinc/26/49/21/560264921.db2.gz XGASVVZUESWRIG-MRXNPFEDSA-N 1 0 371.441 2.041 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450789102 560273338 /nfs/dbraw/zinc/27/33/38/560273338.db2.gz IIMHRCRTWFWBAF-PHIMTYICSA-N 1 0 357.208 2.027 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451700962 560323061 /nfs/dbraw/zinc/32/30/61/560323061.db2.gz YZTLGRPMIIZWHH-ILXRZTDVSA-N 1 0 350.415 2.465 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451776317 560327987 /nfs/dbraw/zinc/32/79/87/560327987.db2.gz GPVLJLYTNYEAGN-LBPRGKRZSA-N 1 0 353.419 2.271 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000451808193 560329985 /nfs/dbraw/zinc/32/99/85/560329985.db2.gz DZWGCHPEGDRPTE-MRXNPFEDSA-N 1 0 350.415 2.370 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452083888 560350211 /nfs/dbraw/zinc/35/02/11/560350211.db2.gz HNHZMZLXVAAHQZ-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452386278 560362264 /nfs/dbraw/zinc/36/22/64/560362264.db2.gz WQCKOJGTWWMTSS-IRXDYDNUSA-N 1 0 363.458 2.127 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000455098699 560470139 /nfs/dbraw/zinc/47/01/39/560470139.db2.gz LJWWPVYISHPWOO-AWEZNQCLSA-N 1 0 361.402 2.437 20 5 FEBDRO CNc1nc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000455917276 560500179 /nfs/dbraw/zinc/50/01/79/560500179.db2.gz KYJXPWSKNZFUSX-UHFFFAOYSA-N 1 0 361.377 2.032 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000456526355 560523358 /nfs/dbraw/zinc/52/33/58/560523358.db2.gz BPYQNNOAOYMTLA-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707286 560642304 /nfs/dbraw/zinc/64/23/04/560642304.db2.gz PKVGBWPSUAJPDX-CYBMUJFWSA-N 1 0 360.418 2.095 20 5 FEBDRO CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459591721 560696302 /nfs/dbraw/zinc/69/63/02/560696302.db2.gz LEPPAXXNHKLPSM-KRWDZBQOSA-N 1 0 362.430 2.226 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459756108 560706500 /nfs/dbraw/zinc/70/65/00/560706500.db2.gz KCTFUUVHDCBMQR-JKSUJKDBSA-N 1 0 363.414 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459767611 560707302 /nfs/dbraw/zinc/70/73/02/560707302.db2.gz ANUHJRPOIZKHEB-YTQUADARSA-N 1 0 364.442 2.208 20 5 FEBDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787934 560850910 /nfs/dbraw/zinc/85/09/10/560850910.db2.gz GCSCAYHCKGCZNR-MSOLQXFVSA-N 1 0 364.421 2.490 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC000465533741 560867566 /nfs/dbraw/zinc/86/75/66/560867566.db2.gz YVCBUJVUYABGCA-UHFFFAOYSA-N 1 0 368.437 2.495 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000467053238 560902552 /nfs/dbraw/zinc/90/25/52/560902552.db2.gz GOBOPMAMEGICQG-NWDGAFQWSA-N 1 0 359.473 2.070 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000467153244 560905104 /nfs/dbraw/zinc/90/51/04/560905104.db2.gz USWABRKCEOZJNY-UHFFFAOYSA-N 1 0 371.397 2.496 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000467673418 560914677 /nfs/dbraw/zinc/91/46/77/560914677.db2.gz JUCJUXHFELTUBE-UHFFFAOYSA-N 1 0 372.425 2.466 20 5 FEBDRO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468634385 560934572 /nfs/dbraw/zinc/93/45/72/560934572.db2.gz CVFNVONQAJGXSU-SDNWHVSQSA-N 1 0 355.460 2.259 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000468740295 560937642 /nfs/dbraw/zinc/93/76/42/560937642.db2.gz VWKFDIQYSAQKKD-DZKOEADISA-N 1 0 367.471 2.306 20 5 FEBDRO C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105886 560974592 /nfs/dbraw/zinc/97/45/92/560974592.db2.gz RIYNAVJCNBKPJI-KGLIPLIRSA-N 1 0 367.421 2.455 20 5 FEBDRO C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105885 560974617 /nfs/dbraw/zinc/97/46/17/560974617.db2.gz RIYNAVJCNBKPJI-KBPBESRZSA-N 1 0 367.421 2.455 20 5 FEBDRO CC(C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000470140031 560975262 /nfs/dbraw/zinc/97/52/62/560975262.db2.gz HGJOSTXMAYKFAF-MRXNPFEDSA-N 1 0 367.425 2.127 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173253 560976025 /nfs/dbraw/zinc/97/60/25/560976025.db2.gz KKXXVYRGWAELOO-RCBBPTIPSA-N 1 0 353.444 2.012 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)c1ccsc1 ZINC000473167779 561043348 /nfs/dbraw/zinc/04/33/48/561043348.db2.gz SRXXNFFSWQQVBO-CQSZACIVSA-N 1 0 365.411 2.317 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474005737 561063314 /nfs/dbraw/zinc/06/33/14/561063314.db2.gz MTLZBNDIRQXFIG-RHSMWYFYSA-N 1 0 364.398 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345187 561071785 /nfs/dbraw/zinc/07/17/85/561071785.db2.gz AFPBWEPQHMMSKE-CSMYWGQOSA-N 1 0 364.398 2.050 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000475131169 561091176 /nfs/dbraw/zinc/09/11/76/561091176.db2.gz TWPSDCJWEXRUAL-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475698138 561102490 /nfs/dbraw/zinc/10/24/90/561102490.db2.gz NMGDAMUWFXCSLY-AWEZNQCLSA-N 1 0 352.387 2.005 20 5 FEBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475708041 561102829 /nfs/dbraw/zinc/10/28/29/561102829.db2.gz FKOVJZFXDLVKHV-CQSZACIVSA-N 1 0 352.387 2.005 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476421568 561119057 /nfs/dbraw/zinc/11/90/57/561119057.db2.gz YSHCRFQASPGCCG-CYBMUJFWSA-N 1 0 360.414 2.043 20 5 FEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476812851 561129011 /nfs/dbraw/zinc/12/90/11/561129011.db2.gz DIAUCVXIXSAVIH-HNNXBMFYSA-N 1 0 359.430 2.215 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000477006945 561134136 /nfs/dbraw/zinc/13/41/36/561134136.db2.gz BACXNSBDZKPGOM-ABAIWWIYSA-N 1 0 363.443 2.203 20 5 FEBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCC1 ZINC000530715162 562421542 /nfs/dbraw/zinc/42/15/42/562421542.db2.gz QVOREWDABPXEHS-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1cc(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291434 562441003 /nfs/dbraw/zinc/44/10/03/562441003.db2.gz XRPWUTUXBLSYPR-STQMWFEESA-N 1 0 365.430 2.144 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531511712 562448258 /nfs/dbraw/zinc/44/82/58/562448258.db2.gz RNXFOYSPKBDTPF-UHFFFAOYSA-N 1 0 361.354 2.121 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532139079 562468426 /nfs/dbraw/zinc/46/84/26/562468426.db2.gz RLBNHKJBMUVDDC-UHFFFAOYSA-N 1 0 364.352 2.472 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000532563333 562481448 /nfs/dbraw/zinc/48/14/48/562481448.db2.gz OPBZJWXGABVLFQ-SWLSCSKDSA-N 1 0 373.409 2.412 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000532944715 562493387 /nfs/dbraw/zinc/49/33/87/562493387.db2.gz UZAQCAQWNIUWQH-AWEZNQCLSA-N 1 0 362.430 2.209 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533304684 562504431 /nfs/dbraw/zinc/50/44/31/562504431.db2.gz JDUIKYMBRHTIKW-OAHLLOKOSA-N 1 0 374.441 2.258 20 5 FEBDRO Cc1ccncc1N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000535543899 562560907 /nfs/dbraw/zinc/56/09/07/562560907.db2.gz ZTEIKOIBIOWZMQ-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000535740742 562566211 /nfs/dbraw/zinc/56/62/11/562566211.db2.gz YBCKUMPMRBMVON-KBPBESRZSA-N 1 0 350.419 2.098 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000536854542 562581593 /nfs/dbraw/zinc/58/15/93/562581593.db2.gz YLUVQEYFTZSOMQ-XUWXXGDYSA-N 1 0 363.414 2.240 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000541056347 562601552 /nfs/dbraw/zinc/60/15/52/562601552.db2.gz WYVYBYWYOPCKAA-MRXNPFEDSA-N 1 0 365.430 2.463 20 5 FEBDRO COC(=O)c1nn(C)c(C)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569300373 568345462 /nfs/dbraw/zinc/34/54/62/568345462.db2.gz VZVDPONDHZUJDN-UHFFFAOYSA-N 1 0 371.397 2.237 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000556571249 674406948 /nfs/dbraw/zinc/40/69/48/674406948.db2.gz CTCWXVRCAVCMHS-AWEZNQCLSA-N 1 0 351.447 2.345 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823630540 599059264 /nfs/dbraw/zinc/05/92/64/599059264.db2.gz ZTMAHWRVUDISNO-CYBMUJFWSA-N 1 0 357.418 2.087 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920865 674427959 /nfs/dbraw/zinc/42/79/59/674427959.db2.gz PNPSDNDFPYTEOE-DZGCQCFKSA-N 1 0 355.460 2.368 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557569339 674454393 /nfs/dbraw/zinc/45/43/93/674454393.db2.gz GZGIREYANASATE-CYBMUJFWSA-N 1 0 350.419 2.761 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820420789 599664462 /nfs/dbraw/zinc/66/44/62/599664462.db2.gz XEVHKMXZSOAEBA-LLVKDONJSA-N 1 0 367.369 2.064 20 5 FEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222105 606185861 /nfs/dbraw/zinc/18/58/61/606185861.db2.gz OROULMLLLUFJEP-LBPRGKRZSA-N 1 0 356.390 2.055 20 5 FEBDRO C[N@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000821602881 606403589 /nfs/dbraw/zinc/40/35/89/606403589.db2.gz ZJTHPHXGBNJZHW-UHFFFAOYSA-N 1 0 371.376 2.458 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)c1nccc(C(=O)OCC)c1[N+](=O)[O-] ZINC000561358732 674659868 /nfs/dbraw/zinc/65/98/68/674659868.db2.gz KDLHXKCHIJOVON-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO CCOC1CC([N@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000561986636 674713193 /nfs/dbraw/zinc/71/31/93/674713193.db2.gz VWUFJMKCAMVDSG-UHFFFAOYSA-N 1 0 352.387 2.146 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000815009395 674895247 /nfs/dbraw/zinc/89/52/47/674895247.db2.gz ISVJOSFOIBWTQH-QMMMGPOBSA-N 1 0 365.814 2.148 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cc(F)ccc1F ZINC000563529277 674903325 /nfs/dbraw/zinc/90/33/25/674903325.db2.gz XHSWYZPZIGFXBU-CQSZACIVSA-N 1 0 352.337 2.445 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047313 674907392 /nfs/dbraw/zinc/90/73/92/674907392.db2.gz NISBNSMWMMSAKZ-SECBINFHSA-N 1 0 367.830 2.394 20 5 FEBDRO COc1cc(CN(C)CCC[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564210652 674984732 /nfs/dbraw/zinc/98/47/32/674984732.db2.gz HDBVYBQGKIFODV-UHFFFAOYSA-N 1 0 351.325 2.325 20 5 FEBDRO COc1ccc(CSCC(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000564838276 675066525 /nfs/dbraw/zinc/06/65/25/675066525.db2.gz DYMBCTGVOBACFA-CQSZACIVSA-N 1 0 367.471 2.485 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000816839227 675082192 /nfs/dbraw/zinc/08/21/92/675082192.db2.gz YDYKWLWOJVPYHC-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000817149399 675105538 /nfs/dbraw/zinc/10/55/38/675105538.db2.gz FARHIGUGZGGLCQ-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000065977924 670436044 /nfs/dbraw/zinc/43/60/44/670436044.db2.gz JYTLQNBUCBDZGA-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO CCCOc1cc(NC(=O)NC2C[NH2+]C2)c([N+](=O)[O-])cc1OCCC ZINC000565409728 675118915 /nfs/dbraw/zinc/11/89/15/675118915.db2.gz HWUPAIJTHHZIRW-UHFFFAOYSA-N 1 0 352.391 2.266 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000083991608 670663747 /nfs/dbraw/zinc/66/37/47/670663747.db2.gz MKORNCYPJMNSBF-NSHDSACASA-N 1 0 361.851 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1SC ZINC000570835637 670775893 /nfs/dbraw/zinc/77/58/93/670775893.db2.gz PKUHDJQDNVTHPX-AMJWSMQMSA-N 1 0 353.444 2.442 20 5 FEBDRO CCOc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000572511265 671011326 /nfs/dbraw/zinc/01/13/26/671011326.db2.gz HZUXVZUORMLELH-AAEUAGOBSA-N 1 0 351.403 2.344 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000572882679 671056129 /nfs/dbraw/zinc/05/61/29/671056129.db2.gz NBFZSQXDXPKZHD-SDDRHHMPSA-N 1 0 353.806 2.083 20 5 FEBDRO COc1ccc(F)cc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573438933 671123068 /nfs/dbraw/zinc/12/30/68/671123068.db2.gz KWJRTCKYLCABDN-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000575846287 671325041 /nfs/dbraw/zinc/32/50/41/671325041.db2.gz VBEJYWPBQRIWFY-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000576627387 671382406 /nfs/dbraw/zinc/38/24/06/671382406.db2.gz HZMIKUXLLMOPDO-SNVBAGLBSA-N 1 0 361.320 2.489 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000577172402 671421824 /nfs/dbraw/zinc/42/18/24/671421824.db2.gz SQQCSGZBBCFEKW-DOMZBBRYSA-N 1 0 366.805 2.309 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609279590 675916971 /nfs/dbraw/zinc/91/69/71/675916971.db2.gz OJVDCGZVIMBKDQ-NSHDSACASA-N 1 0 356.810 2.481 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609352693 675920003 /nfs/dbraw/zinc/92/00/03/675920003.db2.gz DLOVXZQYPDSIBX-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO CCc1nc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000578350669 671658870 /nfs/dbraw/zinc/65/88/70/671658870.db2.gz TZRWZMLOQZNZDY-UHFFFAOYSA-N 1 0 369.468 2.220 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578491952 671669034 /nfs/dbraw/zinc/66/90/34/671669034.db2.gz RNHHTINERNZHJZ-KGLIPLIRSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000579928826 671770871 /nfs/dbraw/zinc/77/08/71/671770871.db2.gz LMTKACOFBMRFBH-UHFFFAOYSA-N 1 0 351.329 2.054 20 5 FEBDRO CO[C@]1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000580130254 671784446 /nfs/dbraw/zinc/78/44/46/671784446.db2.gz LJTNUXFMXDMHGE-GDBMZVCRSA-N 1 0 356.444 2.162 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000610024156 675947628 /nfs/dbraw/zinc/94/76/28/675947628.db2.gz BMFCRFUQCRSKNK-LBPRGKRZSA-N 1 0 350.419 2.133 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000582665906 672023465 /nfs/dbraw/zinc/02/34/65/672023465.db2.gz CILLGPVMHXSWOM-UHFFFAOYSA-N 1 0 369.487 2.308 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132362943 672097256 /nfs/dbraw/zinc/09/72/56/672097256.db2.gz BKDOEZVQGOYZBT-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000584165913 672162341 /nfs/dbraw/zinc/16/23/41/672162341.db2.gz RJTBZJIJEOZLRU-ZDUSSCGKSA-N 1 0 367.471 2.398 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000586773025 672433144 /nfs/dbraw/zinc/43/31/44/672433144.db2.gz FMIIDFBJRVYVMN-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590068737 672557709 /nfs/dbraw/zinc/55/77/09/672557709.db2.gz ZEADQMWTGLCNLH-GFCCVEGCSA-N 1 0 351.403 2.008 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590445081 672583488 /nfs/dbraw/zinc/58/34/88/672583488.db2.gz QEBYRVMGRWEFPW-WFASDCNBSA-N 1 0 365.455 2.109 20 5 FEBDRO COc1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591281618 672664804 /nfs/dbraw/zinc/66/48/04/672664804.db2.gz FOTKDAPIGZCNEP-QWRGUYRKSA-N 1 0 363.336 2.037 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000591749832 672708190 /nfs/dbraw/zinc/70/81/90/672708190.db2.gz ULZILEYKQAIPOC-RTXFEEFZSA-N 1 0 350.341 2.111 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611792686 676055406 /nfs/dbraw/zinc/05/54/06/676055406.db2.gz KBGINRJCYFWQOB-INIZCTEOSA-N 1 0 366.849 2.162 20 5 FEBDRO CC(C)(CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000194343772 672757066 /nfs/dbraw/zinc/75/70/66/672757066.db2.gz UYXLSUCTYBMVMD-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592174428 672767802 /nfs/dbraw/zinc/76/78/02/672767802.db2.gz SKANMUBKVPSLDP-BTQDYEIMSA-N 1 0 353.444 2.420 20 5 FEBDRO C[C@H]1CC2(CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592185386 672768364 /nfs/dbraw/zinc/76/83/64/672768364.db2.gz YKECFDVBNGZCEA-AWEZNQCLSA-N 1 0 368.455 2.260 20 5 FEBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196687 672770078 /nfs/dbraw/zinc/77/00/78/672770078.db2.gz XBFJGHXBYMHLNV-LSDHHAIUSA-N 1 0 350.415 2.368 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000592255936 672777949 /nfs/dbraw/zinc/77/79/49/672777949.db2.gz UVHGDXQAKOTJMJ-VXGBXAGGSA-N 1 0 350.394 2.168 20 5 FEBDRO CC[C@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592544693 672813485 /nfs/dbraw/zinc/81/34/85/672813485.db2.gz HKRGZPIXWNPXKU-UONOGXRCSA-N 1 0 367.471 2.422 20 5 FEBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000262192918 672910643 /nfs/dbraw/zinc/91/06/43/672910643.db2.gz ZTIABEAEXMNUBK-CYBMUJFWSA-N 1 0 360.183 2.307 20 5 FEBDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593599386 672954648 /nfs/dbraw/zinc/95/46/48/672954648.db2.gz WIFUPHPUVGPQTR-CVEARBPZSA-N 1 0 355.460 2.432 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593730194 672983883 /nfs/dbraw/zinc/98/38/83/672983883.db2.gz FKFLRABNGKTHQB-DOMZBBRYSA-N 1 0 355.460 2.295 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730569 672984055 /nfs/dbraw/zinc/98/40/55/672984055.db2.gz LDROQKMRDCCOMS-JQWIXIFHSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593731194 672984385 /nfs/dbraw/zinc/98/43/85/672984385.db2.gz BCQMBPHXEQBGDU-RISCZKNCSA-N 1 0 355.460 2.350 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027230 673022468 /nfs/dbraw/zinc/02/24/68/673022468.db2.gz SSUYFQGKWYNEJL-GOEBONIOSA-N 1 0 350.415 2.368 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000594198719 673042954 /nfs/dbraw/zinc/04/29/54/673042954.db2.gz VIZVKSPSZAUUCI-UONOGXRCSA-N 1 0 351.378 2.489 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594793036 673144462 /nfs/dbraw/zinc/14/44/62/673144462.db2.gz SRTIYXVKCKDJLF-LBPRGKRZSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594793035 673144632 /nfs/dbraw/zinc/14/46/32/673144632.db2.gz SRTIYXVKCKDJLF-GFCCVEGCSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594793039 673144748 /nfs/dbraw/zinc/14/47/48/673144748.db2.gz SSFMCAHXRXWEFD-GFCCVEGCSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000594799284 673146721 /nfs/dbraw/zinc/14/67/21/673146721.db2.gz LOHMKWFXEKUAEZ-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594800854 673147614 /nfs/dbraw/zinc/14/76/14/673147614.db2.gz IJTKMFKFEHULRV-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594853974 673164570 /nfs/dbraw/zinc/16/45/70/673164570.db2.gz BZCAXDBSOMFSIH-HNNXBMFYSA-N 1 0 367.471 2.421 20 5 FEBDRO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595061620 673190157 /nfs/dbraw/zinc/19/01/57/673190157.db2.gz SORFEPPFDAAJOS-UONOGXRCSA-N 1 0 370.475 2.080 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)cc1[N+](=O)[O-] ZINC000595109797 673194682 /nfs/dbraw/zinc/19/46/82/673194682.db2.gz QNKMGBSLTRVNRP-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)cc1[N+](=O)[O-] ZINC000595112507 673194798 /nfs/dbraw/zinc/19/47/98/673194798.db2.gz CMFPVVZREJFVST-FZMZJTMJSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595115404 673195890 /nfs/dbraw/zinc/19/58/90/673195890.db2.gz DTUHRZLQKIDATF-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000595232325 673212469 /nfs/dbraw/zinc/21/24/69/673212469.db2.gz WUKRGKKPNHJOOB-GFCCVEGCSA-N 1 0 352.391 2.185 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000595381471 673238510 /nfs/dbraw/zinc/23/85/10/673238510.db2.gz LYFOCSSTOAZKKS-UHFFFAOYSA-N 1 0 357.476 2.177 20 5 FEBDRO COc1cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000595589123 673270502 /nfs/dbraw/zinc/27/05/02/673270502.db2.gz VBGTVMNSYHFLEU-QGZVFWFLSA-N 1 0 350.415 2.261 20 5 FEBDRO CC1CC[NH+](CCCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596076622 673356391 /nfs/dbraw/zinc/35/63/91/673356391.db2.gz IKKUYVGBSNPTQX-UHFFFAOYSA-N 1 0 370.475 2.166 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([N@@H+]3CCCOCC3)CC2)s1 ZINC000596269420 673372906 /nfs/dbraw/zinc/37/29/06/673372906.db2.gz UFHDNUILHXIPEG-UHFFFAOYSA-N 1 0 363.443 2.291 20 5 FEBDRO C[C@H](NC(=O)NCCN1C[C@@H](C)OC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540342 673392383 /nfs/dbraw/zinc/39/23/83/673392383.db2.gz KVNFUDDOHNGEFP-MCIONIFRSA-N 1 0 350.419 2.064 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000596867094 673420454 /nfs/dbraw/zinc/42/04/54/673420454.db2.gz PRJGOMHEFNFVJJ-UHFFFAOYSA-N 1 0 351.451 2.217 20 5 FEBDRO CCOC(=O)c1cc(N2C[C@@H](SC)[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000538095874 673421550 /nfs/dbraw/zinc/42/15/50/673421550.db2.gz GRYJJRSDBKPQJJ-HUUCEWRRSA-N 1 0 353.444 2.253 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597100208 673447844 /nfs/dbraw/zinc/44/78/44/673447844.db2.gz GPMFHBSUUZPTJV-TVQRCGJNSA-N 1 0 353.810 2.388 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000539041743 673471440 /nfs/dbraw/zinc/47/14/40/673471440.db2.gz QNGLUPSOAMOBCD-GFCCVEGCSA-N 1 0 373.475 2.362 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000735983940 673510314 /nfs/dbraw/zinc/51/03/14/673510314.db2.gz FRWJZARRKGVJAI-UHFFFAOYSA-N 1 0 364.471 2.336 20 5 FEBDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541389777 673552278 /nfs/dbraw/zinc/55/22/78/673552278.db2.gz LFAHBNBZRMVITJ-KGLIPLIRSA-N 1 0 355.460 2.289 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000598573868 673585304 /nfs/dbraw/zinc/58/53/04/673585304.db2.gz QCINXVUMLPQLFI-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000598601935 673588268 /nfs/dbraw/zinc/58/82/68/673588268.db2.gz QOJXRQSHXISXLE-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598602260 673588725 /nfs/dbraw/zinc/58/87/25/673588725.db2.gz ILTANDHGYICRAH-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000542576316 673591132 /nfs/dbraw/zinc/59/11/32/673591132.db2.gz FNXUKHOQOCURRI-QWHCGFSZSA-N 1 0 351.403 2.337 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598722102 673603432 /nfs/dbraw/zinc/60/34/32/673603432.db2.gz ZAVFKESTPWWHKV-YGRLFVJLSA-N 1 0 359.835 2.059 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000543387709 673643782 /nfs/dbraw/zinc/64/37/82/673643782.db2.gz DALXXFSSSGLMFF-UHFFFAOYSA-N 1 0 364.427 2.026 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000740894710 673660096 /nfs/dbraw/zinc/66/00/96/673660096.db2.gz VSHLHQCEXPCIAZ-VXGBXAGGSA-N 1 0 359.423 2.227 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544272 673690166 /nfs/dbraw/zinc/69/01/66/673690166.db2.gz YRIZQZUEOMNSSI-MRXNPFEDSA-N 1 0 350.415 2.357 20 5 FEBDRO C[NH2+]CCOCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599605709 673696754 /nfs/dbraw/zinc/69/67/54/673696754.db2.gz ZEKKTSFBMDCDJN-UHFFFAOYSA-N 1 0 364.324 2.313 20 5 FEBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000544598676 673719827 /nfs/dbraw/zinc/71/98/27/673719827.db2.gz JKSXFBURMUOZNC-UHFFFAOYSA-N 1 0 361.851 2.355 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000546093760 673791827 /nfs/dbraw/zinc/79/18/27/673791827.db2.gz ZWYMKUJUPDOZTR-ZIAGYGMSSA-N 1 0 355.460 2.277 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000600761753 673797293 /nfs/dbraw/zinc/79/72/93/673797293.db2.gz RPOJIKWZKUTPMS-CQSZACIVSA-N 1 0 358.320 2.047 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000546776433 673817626 /nfs/dbraw/zinc/81/76/26/673817626.db2.gz FNKUMNSTYORHAG-DZGCQCFKSA-N 1 0 355.460 2.229 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601279710 673837556 /nfs/dbraw/zinc/83/75/56/673837556.db2.gz JAEBSMCQSRYIRS-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601335250 673843990 /nfs/dbraw/zinc/84/39/90/673843990.db2.gz SBDCKVZRFFMGCK-IAQYHMDHSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372047 673850483 /nfs/dbraw/zinc/85/04/83/673850483.db2.gz QMEMYIPOGBKCOP-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375554 673851138 /nfs/dbraw/zinc/85/11/38/673851138.db2.gz XPJRTNURKPBGLM-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414717 673858416 /nfs/dbraw/zinc/85/84/16/673858416.db2.gz FZDSPDOKXYNQJN-STQMWFEESA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601414852 673858544 /nfs/dbraw/zinc/85/85/44/673858544.db2.gz KNYZQRQPCKLHSF-JQWIXIFHSA-N 1 0 359.473 2.212 20 5 FEBDRO Cc1sc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)cc1[N+](=O)[O-] ZINC000601806763 673898467 /nfs/dbraw/zinc/89/84/67/673898467.db2.gz QFZJYNBFHNHOEG-UHFFFAOYSA-N 1 0 361.427 2.364 20 5 FEBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000602434317 673906092 /nfs/dbraw/zinc/90/60/92/673906092.db2.gz UZNNCDOBNNISRG-VHSXEESVSA-N 1 0 356.220 2.475 20 5 FEBDRO Cn1cc(Cl)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602674991 673909638 /nfs/dbraw/zinc/90/96/38/673909638.db2.gz JKSVZPBOCMEJMO-UHFFFAOYSA-N 1 0 350.810 2.135 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602824178 673911709 /nfs/dbraw/zinc/91/17/09/673911709.db2.gz NJHVQHDIKXFPLY-HUUCEWRRSA-N 1 0 351.357 2.142 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000602837921 673911833 /nfs/dbraw/zinc/91/18/33/673911833.db2.gz PXAHPTSWRWDPFE-UHFFFAOYSA-N 1 0 363.384 2.448 20 5 FEBDRO [NH3+]CCSCc1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603231416 673919000 /nfs/dbraw/zinc/91/90/00/673919000.db2.gz PCXBBVVIEQRLSH-UHFFFAOYSA-N 1 0 361.349 2.445 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603382672 673928128 /nfs/dbraw/zinc/92/81/28/673928128.db2.gz MCXLFIXMVOIJML-UHFFFAOYSA-N 1 0 353.444 2.010 20 5 FEBDRO CSc1cccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000548599488 673978730 /nfs/dbraw/zinc/97/87/30/673978730.db2.gz CACRSRSPQBAFAG-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818589585 675226395 /nfs/dbraw/zinc/22/63/95/675226395.db2.gz DLRQHXQQDDPXLV-FDLBOYPASA-N 1 0 350.375 2.236 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000566687498 675234982 /nfs/dbraw/zinc/23/49/82/675234982.db2.gz KXPFDNMLYDDZBU-CYBMUJFWSA-N 1 0 357.838 2.379 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819274925 675276347 /nfs/dbraw/zinc/27/63/47/675276347.db2.gz OZVOMMFQFNLHJE-AWEZNQCLSA-N 1 0 370.452 2.273 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567378072 675288693 /nfs/dbraw/zinc/28/86/93/675288693.db2.gz OLUAGJALTRPEBV-KYJSFNMBSA-N 1 0 352.431 2.375 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3CS(=O)(=O)C3)cs2)c1 ZINC000615728145 676225395 /nfs/dbraw/zinc/22/53/95/676225395.db2.gz FRDCRDGWSVEZDH-UHFFFAOYSA-N 1 0 367.452 2.243 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000825670141 675663189 /nfs/dbraw/zinc/66/31/89/675663189.db2.gz IRWGQNRWYIMUMT-JTQLQIEISA-N 1 0 371.235 2.355 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C(C)C ZINC000825688883 675663814 /nfs/dbraw/zinc/66/38/14/675663814.db2.gz ZMESFOVBHFBIGG-UHFFFAOYSA-N 1 0 359.224 2.212 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000829257840 675872377 /nfs/dbraw/zinc/87/23/77/675872377.db2.gz YIKBSPZVGABLGB-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000829852314 677015012 /nfs/dbraw/zinc/01/50/12/677015012.db2.gz TZLCNDLCXIMVFU-LLVKDONJSA-N 1 0 359.373 2.268 20 5 FEBDRO CS(=O)(=O)c1ccc(C(=O)OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000838347729 680687917 /nfs/dbraw/zinc/68/79/17/680687917.db2.gz BCCBCJYDGVYHQX-UHFFFAOYSA-N 1 0 370.427 2.031 20 5 FEBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCCCO)CC2)c1Br ZINC000839521665 680758970 /nfs/dbraw/zinc/75/89/70/680758970.db2.gz PXCWWHCZPVXZCN-UHFFFAOYSA-N 1 0 372.263 2.247 20 5 FEBDRO C[NH+](C)CCNC(=S)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000840864964 680847931 /nfs/dbraw/zinc/84/79/31/680847931.db2.gz SEXSQCYZFQEHTN-LLVKDONJSA-N 1 0 368.356 2.363 20 5 FEBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CCSC1 ZINC000748283608 679949211 /nfs/dbraw/zinc/94/92/11/679949211.db2.gz QVGVYBSFJMPSAA-QGZVFWFLSA-N 1 0 364.471 2.336 20 5 FEBDRO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sc1C(C)(C)C ZINC001020139511 680101000 /nfs/dbraw/zinc/10/10/00/680101000.db2.gz BWUXQMMXNPXHHS-FDYHWXHSSA-N 1 0 366.487 2.151 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000832644718 680158963 /nfs/dbraw/zinc/15/89/63/680158963.db2.gz BUMJYNXIMOHEKZ-ZDUSSCGKSA-N 1 0 353.423 2.169 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000834845494 680276416 /nfs/dbraw/zinc/27/64/16/680276416.db2.gz APCOWLVWKBRHCZ-HIFRSBDPSA-N 1 0 353.806 2.217 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000834846067 680276432 /nfs/dbraw/zinc/27/64/32/680276432.db2.gz MPFIXFAJFWYVBD-HIFRSBDPSA-N 1 0 353.806 2.217 20 5 FEBDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000834886118 680280140 /nfs/dbraw/zinc/28/01/40/680280140.db2.gz IENGBCARRSUMOC-INIZCTEOSA-N 1 0 356.444 2.229 20 5 FEBDRO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1Cl ZINC000996428802 680332149 /nfs/dbraw/zinc/33/21/49/680332149.db2.gz HPBXVEDEEFGRMI-ZIAGYGMSSA-N 1 0 367.833 2.094 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836474343 680474622 /nfs/dbraw/zinc/47/46/22/680474622.db2.gz GUIDLVASOVQZTB-UHFFFAOYSA-N 1 0 355.822 2.351 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836627197 680491805 /nfs/dbraw/zinc/49/18/05/680491805.db2.gz JSTYDOXPAZLATI-GFCCVEGCSA-N 1 0 355.822 2.397 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000836791794 680514546 /nfs/dbraw/zinc/51/45/46/680514546.db2.gz ZDZVCZUDJRQGAV-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO COCC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]CC1 ZINC000841233581 680870443 /nfs/dbraw/zinc/87/04/43/680870443.db2.gz YKHRCISOLWLUMZ-UHFFFAOYSA-N 1 0 356.810 2.386 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842479144 680949511 /nfs/dbraw/zinc/94/95/11/680949511.db2.gz XODGIKCHVFKHDD-IJLUTSLNSA-N 1 0 354.838 2.492 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842485318 680950550 /nfs/dbraw/zinc/95/05/50/680950550.db2.gz LYVRZKPLPRJCHR-AWEZNQCLSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000842699409 680960371 /nfs/dbraw/zinc/96/03/71/680960371.db2.gz NWEUBJARJMLHJK-GHMZBOCLSA-N 1 0 361.851 2.223 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768840749 680960778 /nfs/dbraw/zinc/96/07/78/680960778.db2.gz CLDUOTAQTBYHLV-UHFFFAOYSA-N 1 0 361.489 2.399 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000842781807 680965992 /nfs/dbraw/zinc/96/59/92/680965992.db2.gz OFPZTJFHTFUIMR-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000842837913 680970785 /nfs/dbraw/zinc/97/07/85/680970785.db2.gz AOCFIEUDEWUENM-NSHDSACASA-N 1 0 361.851 2.306 20 5 FEBDRO [NH3+]CCCOC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000843355250 680999632 /nfs/dbraw/zinc/99/96/32/680999632.db2.gz XOYXRGJJDKMVFC-UHFFFAOYSA-N 1 0 370.837 2.017 20 5 FEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326269 681045097 /nfs/dbraw/zinc/04/50/97/681045097.db2.gz VJZFWKOCKDWXKX-QHSBEEBCSA-N 1 0 366.849 2.165 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC001050516663 681049117 /nfs/dbraw/zinc/04/91/17/681049117.db2.gz GCPMJEUUSSTYMI-HZPDHXFCSA-N 1 0 363.845 2.430 20 5 FEBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000771582253 681060774 /nfs/dbraw/zinc/06/07/74/681060774.db2.gz LKJWMYYEKWFDIA-AWEZNQCLSA-N 1 0 351.378 2.025 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845507758 681133784 /nfs/dbraw/zinc/13/37/84/681133784.db2.gz DITOGPRUEJXKAN-CYBMUJFWSA-N 1 0 370.812 2.306 20 5 FEBDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774170293 681171274 /nfs/dbraw/zinc/17/12/74/681171274.db2.gz YEIWFDTWIUOKNZ-MELADBBJSA-N 1 0 351.407 2.095 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846301690 681223007 /nfs/dbraw/zinc/22/30/07/681223007.db2.gz CDBUAYDWGUCGCI-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775812907 681338082 /nfs/dbraw/zinc/33/80/82/681338082.db2.gz DFYCVAGXBLXNMT-KBPBESRZSA-N 1 0 351.403 2.430 20 5 FEBDRO CS[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000776486413 681395794 /nfs/dbraw/zinc/39/57/94/681395794.db2.gz SSEOIUISDLLSQO-BRWVUGGUSA-N 1 0 351.472 2.140 20 5 FEBDRO CCC[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000776595873 681413112 /nfs/dbraw/zinc/41/31/12/681413112.db2.gz BSWDXXPRUQOQHE-QZTJIDSGSA-N 1 0 351.447 2.061 20 5 FEBDRO CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000933881952 681478411 /nfs/dbraw/zinc/47/84/11/681478411.db2.gz DNRFJBXCSWGCET-CQSZACIVSA-N 1 0 350.415 2.475 20 5 FEBDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000934758858 681625050 /nfs/dbraw/zinc/62/50/50/681625050.db2.gz HBZSKZACFSMVQA-VWLOTQADSA-N 1 0 368.503 2.424 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912912013 685466490 /nfs/dbraw/zinc/46/64/90/685466490.db2.gz ULPNXQNFZRPKGU-AWEZNQCLSA-N 1 0 365.455 2.254 20 5 FEBDRO CC(C)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000849370590 681697927 /nfs/dbraw/zinc/69/79/27/681697927.db2.gz HQTDEUNYLOWHMM-OAHLLOKOSA-N 1 0 370.475 2.025 20 5 FEBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000779654545 681736619 /nfs/dbraw/zinc/73/66/19/681736619.db2.gz OVGZCXNQHILMEI-CQSZACIVSA-N 1 0 356.810 2.356 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[NH+]2CCCC2)c1 ZINC000779891606 681767186 /nfs/dbraw/zinc/76/71/86/681767186.db2.gz KWRQXFVUMWBZAG-UHFFFAOYSA-N 1 0 361.851 2.273 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913679271 685481926 /nfs/dbraw/zinc/48/19/26/685481926.db2.gz UENOBGHZEZSCAY-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO C[NH+](C)CC1(O)CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000913683076 685482096 /nfs/dbraw/zinc/48/20/96/685482096.db2.gz LXMBGOAKASJAAY-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781612811 681953169 /nfs/dbraw/zinc/95/31/69/681953169.db2.gz QZAFBOUVAHMAPQ-UHFFFAOYSA-N 1 0 352.391 2.236 20 5 FEBDRO C[N@H+]1C[C@]2(C)CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918352046 685538573 /nfs/dbraw/zinc/53/85/73/685538573.db2.gz RMMWLRCXELWLEU-GASCZTMLSA-N 1 0 373.862 2.211 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC000918727461 685541553 /nfs/dbraw/zinc/54/15/53/685541553.db2.gz BSKAVNJFGYIBTM-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000855898236 682723371 /nfs/dbraw/zinc/72/33/71/682723371.db2.gz LMLMVDSXJLYHBT-LLVKDONJSA-N 1 0 363.443 2.450 20 5 FEBDRO C[C@H](CNc1cccc(Br)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000856728473 682799413 /nfs/dbraw/zinc/79/94/13/682799413.db2.gz URJDXMIWCBNAHC-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000858178696 682941064 /nfs/dbraw/zinc/94/10/64/682941064.db2.gz PPYRQNAMVSMCHU-GFCCVEGCSA-N 1 0 355.822 2.335 20 5 FEBDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000926252936 683098898 /nfs/dbraw/zinc/09/88/98/683098898.db2.gz AFMDEVILAXQSRV-LGWLGOQQSA-N 1 0 367.471 2.256 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000797414617 683248840 /nfs/dbraw/zinc/24/88/40/683248840.db2.gz ONWKDTQLUPRUHR-OAHLLOKOSA-N 1 0 350.400 2.287 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000861036259 683335383 /nfs/dbraw/zinc/33/53/83/683335383.db2.gz ZFOIRLJSCRDJJS-OCCSQVGLSA-N 1 0 354.378 2.491 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093618 683382596 /nfs/dbraw/zinc/38/25/96/683382596.db2.gz DITRSSMMFDLOJY-ZBFHGGJFSA-N 1 0 360.439 2.386 20 5 FEBDRO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351987 683395792 /nfs/dbraw/zinc/39/57/92/683395792.db2.gz LIKJBBYRSMZKKZ-SUMWQHHRSA-N 1 0 352.387 2.178 20 5 FEBDRO C[C@H]1[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000928430960 683450030 /nfs/dbraw/zinc/45/00/30/683450030.db2.gz KHLLQHXXMKQBLT-JOYOIKCWSA-N 1 0 356.220 2.109 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000921720789 683556632 /nfs/dbraw/zinc/55/66/32/683556632.db2.gz KRRIDHWPPOIXHM-UHFFFAOYSA-N 1 0 353.444 2.280 20 5 FEBDRO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000863295237 683699588 /nfs/dbraw/zinc/69/95/88/683699588.db2.gz WJZALGPGIIYDIZ-NEPJUHHUSA-N 1 0 362.411 2.339 20 5 FEBDRO COc1cc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000922752605 683777430 /nfs/dbraw/zinc/77/74/30/683777430.db2.gz SSKKAOAYHWVMJW-ZDUSSCGKSA-N 1 0 351.325 2.281 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865577704 684000239 /nfs/dbraw/zinc/00/02/39/684000239.db2.gz OUYSNJXSUHSOEG-AWEZNQCLSA-N 1 0 355.410 2.163 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308472 684243603 /nfs/dbraw/zinc/24/36/03/684243603.db2.gz KBLLXHDEZMYQSZ-KWQFWETISA-N 1 0 365.814 2.100 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309184 684244228 /nfs/dbraw/zinc/24/42/28/684244228.db2.gz RDRIZMKOVBQKIE-GZMMTYOYSA-N 1 0 365.814 2.100 20 5 FEBDRO Cc1c(NC(=O)NC[C@H]2CC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000931251665 684249302 /nfs/dbraw/zinc/24/93/02/684249302.db2.gz WEQOZEYJMQDBNW-SNVBAGLBSA-N 1 0 357.208 2.491 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923444074 684281987 /nfs/dbraw/zinc/28/19/87/684281987.db2.gz QXOZNCVCIDUUKA-AGIUHOORSA-N 1 0 350.419 2.003 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000923536248 684301151 /nfs/dbraw/zinc/30/11/51/684301151.db2.gz JJKUUBNXJWYCQR-MRXNPFEDSA-N 1 0 352.822 2.405 20 5 FEBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000931607894 684312099 /nfs/dbraw/zinc/31/20/99/684312099.db2.gz OPLGLZSNQRJBFX-TZMCWYRMSA-N 1 0 354.407 2.435 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000867620550 684334186 /nfs/dbraw/zinc/33/41/86/684334186.db2.gz ORASTPZIHCOSRH-UHFFFAOYSA-N 1 0 371.434 2.230 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923737175 684343124 /nfs/dbraw/zinc/34/31/24/684343124.db2.gz XKOUXORTSOXRAS-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815193 684397999 /nfs/dbraw/zinc/39/79/99/684397999.db2.gz YVCNHQJSXBJMTH-SMDDNHRTSA-N 1 0 373.862 2.271 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000868716672 684532366 /nfs/dbraw/zinc/53/23/66/684532366.db2.gz GXHRWHRQRFUUQU-RISCZKNCSA-N 1 0 368.231 2.062 20 5 FEBDRO C[C@@H]([NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691595 684578643 /nfs/dbraw/zinc/57/86/43/684578643.db2.gz IURQXXYHDXAEER-CHWSQXEVSA-N 1 0 355.460 2.306 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000872248950 684932057 /nfs/dbraw/zinc/93/20/57/684932057.db2.gz YFUBMBSWCMKXHZ-SECBINFHSA-N 1 0 350.322 2.022 20 5 FEBDRO CCC1([NH+](C)C)CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000872669488 685002475 /nfs/dbraw/zinc/00/24/75/685002475.db2.gz JPYVUTPJZCBQKA-UHFFFAOYSA-N 1 0 360.256 2.318 20 5 FEBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000910850570 685128856 /nfs/dbraw/zinc/12/88/56/685128856.db2.gz FDRJCUSJHIFYHE-UHFFFAOYSA-N 1 0 355.460 2.211 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280053 686347826 /nfs/dbraw/zinc/34/78/26/686347826.db2.gz FSPXAZQFKVFPQO-UHTWSYAYSA-N 1 0 353.806 2.368 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877376383 686368628 /nfs/dbraw/zinc/36/86/28/686368628.db2.gz QZASZEQAGGCDIY-OHUAYANFSA-N 1 0 353.806 2.083 20 5 FEBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877389537 686371366 /nfs/dbraw/zinc/37/13/66/686371366.db2.gz NCVWFJNSVPFBMT-OCCSQVGLSA-N 1 0 354.204 2.372 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395339 686371671 /nfs/dbraw/zinc/37/16/71/686371671.db2.gz XRHGQEJLVRAUTC-DZGCQCFKSA-N 1 0 368.231 2.301 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000882490858 687376654 /nfs/dbraw/zinc/37/66/54/687376654.db2.gz XVGJDIDBBMGBSN-ZDUSSCGKSA-N 1 0 353.444 2.157 20 5 FEBDRO C[NH+]1CCC(NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000883058163 687555179 /nfs/dbraw/zinc/55/51/79/687555179.db2.gz JAAPWZUFKNBIQD-UHFFFAOYSA-N 1 0 371.235 2.251 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1C ZINC000883478544 687643251 /nfs/dbraw/zinc/64/32/51/687643251.db2.gz NAOJQZBXOIBZJQ-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO CCC1([NH+]2CCC2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000884718538 687911491 /nfs/dbraw/zinc/91/14/91/687911491.db2.gz HTECTURPVLEJCW-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000886899237 688336019 /nfs/dbraw/zinc/33/60/19/688336019.db2.gz FQTONVDMFAZGHE-INIZCTEOSA-N 1 0 353.444 2.058 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000886899807 688336436 /nfs/dbraw/zinc/33/64/36/688336436.db2.gz VOSRWGAWFAPAQL-KRWDZBQOSA-N 1 0 367.471 2.366 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899582 688336481 /nfs/dbraw/zinc/33/64/81/688336481.db2.gz OROGHZMBTVWPCW-MRXNPFEDSA-N 1 0 353.444 2.058 20 5 FEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000890883883 688979280 /nfs/dbraw/zinc/97/92/80/688979280.db2.gz RMKGTKQKCTUFDT-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000892767377 689240831 /nfs/dbraw/zinc/24/08/31/689240831.db2.gz BLXOKOFIGWHAME-KRWDZBQOSA-N 1 0 350.394 2.014 20 5 FEBDRO CC(C)Oc1nc(N2CC[NH+](CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000894965462 689631032 /nfs/dbraw/zinc/63/10/32/689631032.db2.gz GFPTXHLGWIBLKR-UHFFFAOYSA-N 1 0 352.435 2.062 20 5 FEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000895245013 689683478 /nfs/dbraw/zinc/68/34/78/689683478.db2.gz CEOGJAFPJWHCFT-YGRLFVJLSA-N 1 0 357.252 2.404 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000895928776 689794912 /nfs/dbraw/zinc/79/49/12/689794912.db2.gz VEDPSUFXPQEDHR-JSGCOSHPSA-N 1 0 352.387 2.146 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897220082 689990106 /nfs/dbraw/zinc/99/01/06/689990106.db2.gz SCUZHTNCSMRRFN-OLZOCXBDSA-N 1 0 370.247 2.393 20 5 FEBDRO C[NH+](C)CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000898017889 690115494 /nfs/dbraw/zinc/11/54/94/690115494.db2.gz WFXFTVOFFLCYNE-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000900640755 690542015 /nfs/dbraw/zinc/54/20/15/690542015.db2.gz BAOQKGKPDZRALL-UHFFFAOYSA-N 1 0 352.192 2.249 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903202642 690865536 /nfs/dbraw/zinc/86/55/36/690865536.db2.gz HDXLQZMCOSNDAN-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO CO[C@@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCS(=O)(=O)C1 ZINC000903362797 690885698 /nfs/dbraw/zinc/88/56/98/690885698.db2.gz JOBIIFQXQSMTDZ-IAQYHMDHSA-N 1 0 374.484 2.171 20 5 FEBDRO CO[C@@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364099 690886227 /nfs/dbraw/zinc/88/62/27/690886227.db2.gz UIUAFAXPHQJWIR-DOTOQJQBSA-N 1 0 368.455 2.111 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903593570 690935233 /nfs/dbraw/zinc/93/52/33/690935233.db2.gz PIUBWBIOHDFISS-AWEZNQCLSA-N 1 0 359.835 2.073 20 5 FEBDRO C[NH+]1CCC(OCC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000904043614 690997263 /nfs/dbraw/zinc/99/72/63/690997263.db2.gz DPPIBTBWCIMLQJ-UHFFFAOYSA-N 1 0 372.219 2.407 20 5 FEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904393359 691024393 /nfs/dbraw/zinc/02/43/93/691024393.db2.gz QYHHKJOCQMAXHG-WHGOUJPWSA-N 1 0 355.192 2.372 20 5 FEBDRO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724294 720371167 /nfs/dbraw/zinc/37/11/67/720371167.db2.gz JCYVTHALDRVIOY-CABCVRRESA-N 1 0 355.398 2.247 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)nc1Cl ZINC001164727938 720511497 /nfs/dbraw/zinc/51/14/97/720511497.db2.gz FCFRUHJRIXLKEU-GFCCVEGCSA-N 1 0 364.837 2.346 20 5 FEBDRO CC(C)Oc1nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001164733799 720527600 /nfs/dbraw/zinc/52/76/00/720527600.db2.gz LOMOXQUPXZVGIZ-CQSZACIVSA-N 1 0 374.445 2.172 20 5 FEBDRO CC(C)Oc1nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001164733796 720527803 /nfs/dbraw/zinc/52/78/03/720527803.db2.gz LOMOXQUPXZVGIZ-AWEZNQCLSA-N 1 0 374.445 2.172 20 5 FEBDRO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC[C@H]([NH+](C)C)C1 ZINC001165037536 721886653 /nfs/dbraw/zinc/88/66/53/721886653.db2.gz ZBKQCZOZNHUFPT-JTQLQIEISA-N 1 0 356.810 2.350 20 5 FEBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc21 ZINC001165056234 722014219 /nfs/dbraw/zinc/01/42/19/722014219.db2.gz QAHZSHWRXMUVII-UHFFFAOYSA-N 1 0 352.398 2.231 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979170 722100721 /nfs/dbraw/zinc/10/07/21/722100721.db2.gz HGASRGJUXSEYSE-FUHWJXTLSA-N 1 0 369.425 2.112 20 5 FEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834795 889097080 /nfs/dbraw/zinc/09/70/80/889097080.db2.gz UYXMBEMSOICVLV-YPMHNXCESA-N 1 0 361.402 2.484 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000023673027 539718526 /nfs/dbraw/zinc/71/85/26/539718526.db2.gz IWPPIBYLJIVPKC-ZIAGYGMSSA-N 1 0 367.471 2.302 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccsc1 ZINC000025814862 539769653 /nfs/dbraw/zinc/76/96/53/539769653.db2.gz MVDDLXITSNYGJQ-ZDUSSCGKSA-N 1 0 363.395 2.418 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000026885284 539796762 /nfs/dbraw/zinc/79/67/62/539796762.db2.gz ORPBORDKXIUARU-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(CN1CC[NH+](C2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027119916 539801064 /nfs/dbraw/zinc/80/10/64/539801064.db2.gz HIPMXOQXJZJQOK-UHFFFAOYSA-N 1 0 358.442 2.044 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041786025 540033078 /nfs/dbraw/zinc/03/30/78/540033078.db2.gz LHTFUIHZXHGDIE-CQSZACIVSA-N 1 0 362.430 2.304 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000041876052 540037650 /nfs/dbraw/zinc/03/76/50/540037650.db2.gz SIWMGCMXBMDKSJ-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)nc2sccn21 ZINC000046479069 540259063 /nfs/dbraw/zinc/25/90/63/540259063.db2.gz ZSSSYTMMQYJODG-CQSZACIVSA-N 1 0 373.438 2.135 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000047213299 540297110 /nfs/dbraw/zinc/29/71/10/540297110.db2.gz ZHPORMUHSNDKGG-KBPBESRZSA-N 1 0 372.429 2.026 20 5 FEBDRO CC(C)(C)NC(=O)CN1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052072008 540453075 /nfs/dbraw/zinc/45/30/75/540453075.db2.gz PQLNRPNKWVVCCQ-UHFFFAOYSA-N 1 0 362.474 2.060 20 5 FEBDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862432 540494874 /nfs/dbraw/zinc/49/48/74/540494874.db2.gz HIEVGHHEEPJQRV-ZDUSSCGKSA-N 1 0 359.386 2.494 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000053667206 540548086 /nfs/dbraw/zinc/54/80/86/540548086.db2.gz AGJBHKOPODDUFR-CHWSQXEVSA-N 1 0 359.835 2.153 20 5 FEBDRO CNS(=O)(=O)c1ccc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981049 540619536 /nfs/dbraw/zinc/61/95/36/540619536.db2.gz FHEOGOUHEBVLSS-QWHCGFSZSA-N 1 0 370.475 2.035 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067142163 541423060 /nfs/dbraw/zinc/42/30/60/541423060.db2.gz HCROATWRFKDWBY-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO C[NH+](C)CCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000067949584 541532184 /nfs/dbraw/zinc/53/21/84/541532184.db2.gz FSGUVRICFIYBSK-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000068341459 541579096 /nfs/dbraw/zinc/57/90/96/541579096.db2.gz PPLSKIMXKSVVHK-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO CC[NH+]1CCN(CCNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000543449397 541594180 /nfs/dbraw/zinc/59/41/80/541594180.db2.gz KFSJVDPQZWHXPN-UHFFFAOYSA-N 1 0 372.267 2.110 20 5 FEBDRO Cc1c(C(=O)N2CCC[N@@H+](C(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068801486 541630452 /nfs/dbraw/zinc/63/04/52/541630452.db2.gz KMPWBHYOFOYKAN-UHFFFAOYSA-N 1 0 372.429 2.040 20 5 FEBDRO COc1cc(OCC(=O)NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000068882376 541636701 /nfs/dbraw/zinc/63/67/01/541636701.db2.gz WZRHNNVVEQLVEO-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000069044252 541652409 /nfs/dbraw/zinc/65/24/09/541652409.db2.gz SUSWPEQFEVFWAJ-AWEZNQCLSA-N 1 0 372.429 2.026 20 5 FEBDRO Cn1cc(C[NH2+]CCOC[C@H]2CCOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000068993166 541646523 /nfs/dbraw/zinc/64/65/23/541646523.db2.gz SBFZOUNCYYJONO-AWEZNQCLSA-N 1 0 360.414 2.138 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129490 541662505 /nfs/dbraw/zinc/66/25/05/541662505.db2.gz BLWMFUUCZZJBLQ-VIFPVBQESA-N 1 0 361.851 2.318 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746241 541710164 /nfs/dbraw/zinc/71/01/64/541710164.db2.gz NEDRYJWXDORRGL-CQSZACIVSA-N 1 0 372.425 2.261 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071063404 541762067 /nfs/dbraw/zinc/76/20/67/541762067.db2.gz SDCPAZLTXIWPTD-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO Cc1c(Br)c(NCCCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000544410147 541765506 /nfs/dbraw/zinc/76/55/06/541765506.db2.gz ZZRQLZPZYWIPBB-UHFFFAOYSA-N 1 0 372.267 2.110 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000072899235 541891140 /nfs/dbraw/zinc/89/11/40/541891140.db2.gz HJGUFJWCDZBAPM-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000074165627 542046722 /nfs/dbraw/zinc/04/67/22/542046722.db2.gz RLTUSJVRVJQTJV-OAHLLOKOSA-N 1 0 364.446 2.489 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+]C2(CO)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000074326163 542070530 /nfs/dbraw/zinc/07/05/30/542070530.db2.gz QVEOVNRQOHGQJZ-UHFFFAOYSA-N 1 0 369.421 2.351 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898752 542214170 /nfs/dbraw/zinc/21/41/70/542214170.db2.gz BECHKYATCMYMMA-MJGOQNOKSA-N 1 0 360.410 2.390 20 5 FEBDRO Cc1nsc(N2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000075967942 542220205 /nfs/dbraw/zinc/22/02/05/542220205.db2.gz BTWOBPVNEPYSCG-UHFFFAOYSA-N 1 0 363.443 2.346 20 5 FEBDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075986298 542222277 /nfs/dbraw/zinc/22/22/77/542222277.db2.gz GVILVQGOKNHBLD-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000076179411 542239990 /nfs/dbraw/zinc/23/99/90/542239990.db2.gz JYLFYUHGUJOGEO-QWHCGFSZSA-N 1 0 354.457 2.004 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000076191145 542241588 /nfs/dbraw/zinc/24/15/88/542241588.db2.gz OQDQQRGGBCZHIS-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000077450230 542383588 /nfs/dbraw/zinc/38/35/88/542383588.db2.gz GSHUTCWQQKMIMH-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000080095053 542563861 /nfs/dbraw/zinc/56/38/61/542563861.db2.gz HIXWFESRPULEOI-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000080543917 542594556 /nfs/dbraw/zinc/59/45/56/542594556.db2.gz HTFCKTLIGDQDEQ-SFHVURJKSA-N 1 0 350.463 2.425 20 5 FEBDRO Cc1n[nH]c(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000084365128 542711825 /nfs/dbraw/zinc/71/18/25/542711825.db2.gz YVCHOQDLAFPSIS-UHFFFAOYSA-N 1 0 357.414 2.363 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087355366 542744424 /nfs/dbraw/zinc/74/44/24/542744424.db2.gz NLLPOCKOTKLKRZ-UHFFFAOYSA-N 1 0 362.474 2.012 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000087357096 542744759 /nfs/dbraw/zinc/74/47/59/542744759.db2.gz JPIWIMLCUZAFOL-SFHVURJKSA-N 1 0 374.485 2.013 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092642211 542876454 /nfs/dbraw/zinc/87/64/54/542876454.db2.gz QCTHOXPYDRUZOF-CYBMUJFWSA-N 1 0 357.414 2.142 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1F ZINC000092992041 542900355 /nfs/dbraw/zinc/90/03/55/542900355.db2.gz BISQHXAPLRQPAW-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO NC(=O)c1cc(OC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000093261581 542922065 /nfs/dbraw/zinc/92/20/65/542922065.db2.gz RZYHYYNXTVCVOI-UHFFFAOYSA-N 1 0 370.409 2.175 20 5 FEBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000093298346 542924594 /nfs/dbraw/zinc/92/45/94/542924594.db2.gz GBMUQUKNMRSHSF-CQSZACIVSA-N 1 0 363.414 2.105 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094134426 542953871 /nfs/dbraw/zinc/95/38/71/542953871.db2.gz BRRGKLUHOINCCR-OAHLLOKOSA-N 1 0 362.474 2.276 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405345 543131084 /nfs/dbraw/zinc/13/10/84/543131084.db2.gz SKAGCQWVQIOTIK-UHFFFAOYSA-N 1 0 351.378 2.200 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107620733 543273980 /nfs/dbraw/zinc/27/39/80/543273980.db2.gz AVWBFJFPFBIOSO-MRXNPFEDSA-N 1 0 363.462 2.357 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000107696723 543276011 /nfs/dbraw/zinc/27/60/11/543276011.db2.gz BKGUVJSQCIBBHZ-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108341971 543287150 /nfs/dbraw/zinc/28/71/50/543287150.db2.gz PMGUUJQUDAUIOW-VXGBXAGGSA-N 1 0 355.822 2.474 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000108605438 543297436 /nfs/dbraw/zinc/29/74/36/543297436.db2.gz VCKSCLDFEYQHHL-OLZOCXBDSA-N 1 0 363.414 2.232 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000108784899 543302901 /nfs/dbraw/zinc/30/29/01/543302901.db2.gz NUPPSAVNGADNHG-OAHLLOKOSA-N 1 0 372.469 2.412 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000109070871 543312987 /nfs/dbraw/zinc/31/29/87/543312987.db2.gz CRJZVPOMEUYOHK-CQSZACIVSA-N 1 0 373.413 2.161 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986261 543345452 /nfs/dbraw/zinc/34/54/52/543345452.db2.gz NRVVQLGPMQIZQI-LBPRGKRZSA-N 1 0 358.398 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)ncn2)cc1 ZINC000110263892 543353770 /nfs/dbraw/zinc/35/37/70/543353770.db2.gz HULNCGATZOKFTF-OAHLLOKOSA-N 1 0 357.414 2.248 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000110439722 543358214 /nfs/dbraw/zinc/35/82/14/543358214.db2.gz IFMWLWQMJKOEDC-UHFFFAOYSA-N 1 0 351.451 2.262 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110815726 543369402 /nfs/dbraw/zinc/36/94/02/543369402.db2.gz ITVMXHFGDHCCSS-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1C ZINC000113305918 543484072 /nfs/dbraw/zinc/48/40/72/543484072.db2.gz KEPYHBMIPFFWNH-GXTWGEPZSA-N 1 0 353.444 2.069 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114062583 543503152 /nfs/dbraw/zinc/50/31/52/543503152.db2.gz JAXNYBRGLSBLSI-UWVGGRQHSA-N 1 0 357.794 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000115585500 543575849 /nfs/dbraw/zinc/57/58/49/543575849.db2.gz AMHSIMOKVQAGPG-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552158163 674191853 /nfs/dbraw/zinc/19/18/53/674191853.db2.gz DSPFGRUCIWHFPG-GJZGRUSLSA-N 1 0 367.471 2.090 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000116372140 543607965 /nfs/dbraw/zinc/60/79/65/543607965.db2.gz CGMPMHSKKFHDAZ-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000116907564 543618905 /nfs/dbraw/zinc/61/89/05/543618905.db2.gz JNIHKUJWLGTUMX-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000121682867 543698754 /nfs/dbraw/zinc/69/87/54/543698754.db2.gz QBTOGONCUHLGTR-ZDUSSCGKSA-N 1 0 362.411 2.324 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869295 543728494 /nfs/dbraw/zinc/72/84/94/543728494.db2.gz KJLSRYHFMVEZOK-NWDGAFQWSA-N 1 0 351.403 2.167 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000122905771 543731010 /nfs/dbraw/zinc/73/10/10/543731010.db2.gz IZLGDEXGSUWORB-CYBMUJFWSA-N 1 0 355.460 2.450 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000126892070 543961579 /nfs/dbraw/zinc/96/15/79/543961579.db2.gz QAHMLTCJZOJGDO-MRXNPFEDSA-N 1 0 373.409 2.457 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000127929302 544021868 /nfs/dbraw/zinc/02/18/68/544021868.db2.gz SOXQIHFNTPZJBL-OKILXGFUSA-N 1 0 374.441 2.234 20 5 FEBDRO CCOC(=O)c1cc(NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000127691609 544008213 /nfs/dbraw/zinc/00/82/13/544008213.db2.gz CZXJENYDLHFCEW-UHFFFAOYSA-N 1 0 364.446 2.209 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000129328234 544105628 /nfs/dbraw/zinc/10/56/28/544105628.db2.gz KRQJPYRNSBLSKK-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000130363912 544148207 /nfs/dbraw/zinc/14/82/07/544148207.db2.gz JFRGQPOYYRZSQM-UHFFFAOYSA-N 1 0 367.471 2.405 20 5 FEBDRO CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000131379577 544188130 /nfs/dbraw/zinc/18/81/30/544188130.db2.gz DYCYAXRDBAUVRU-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247500007 549345494 /nfs/dbraw/zinc/34/54/94/549345494.db2.gz LPBXRMLLINYBCB-MLGOLLRUSA-N 1 0 352.822 2.369 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135541964 544352076 /nfs/dbraw/zinc/35/20/76/544352076.db2.gz OHNZEUFGSRGFFJ-INIZCTEOSA-N 1 0 369.425 2.378 20 5 FEBDRO NC(=O)c1ccc(CN2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000141421531 544413358 /nfs/dbraw/zinc/41/33/58/544413358.db2.gz BGFYBRUANBITTI-UHFFFAOYSA-N 1 0 374.466 2.116 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000140463321 544409331 /nfs/dbraw/zinc/40/93/31/544409331.db2.gz YUBSJNOUHRJOIL-LSBZLQRGSA-N 1 0 359.426 2.327 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000146234253 544438832 /nfs/dbraw/zinc/43/88/32/544438832.db2.gz RCXVHEPJEOYXES-ZDUSSCGKSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000152498611 544662044 /nfs/dbraw/zinc/66/20/44/544662044.db2.gz HTGVKDAZVSBQJI-AWEZNQCLSA-N 1 0 364.446 2.062 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)Cc1cccnc1 ZINC000152331260 544640101 /nfs/dbraw/zinc/64/01/01/544640101.db2.gz SNFNOBNKLJWYHC-UHFFFAOYSA-N 1 0 358.398 2.121 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000152856807 544703641 /nfs/dbraw/zinc/70/36/41/544703641.db2.gz TYLAHUYKCMSXAD-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000152884290 544706109 /nfs/dbraw/zinc/70/61/09/544706109.db2.gz HGGGPXOKZYKHJK-DGCLKSJQSA-N 1 0 373.862 2.353 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153981508 544849111 /nfs/dbraw/zinc/84/91/11/544849111.db2.gz ZEKPSWUBNLHITJ-HOCLYGCPSA-N 1 0 359.426 2.449 20 5 FEBDRO O=C(CN1CC[C@H](Oc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000154120228 544867132 /nfs/dbraw/zinc/86/71/32/544867132.db2.gz DDZPSQLOUPMEJE-KRWDZBQOSA-N 1 0 368.393 2.032 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000553288650 674250651 /nfs/dbraw/zinc/25/06/51/674250651.db2.gz JEBOZYKLVWXPST-LBPRGKRZSA-N 1 0 350.419 2.619 20 5 FEBDRO COc1cc(CN2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184218608 327856730 /nfs/dbraw/zinc/85/67/30/327856730.db2.gz RVSYPUXCOFENOG-UHFFFAOYSA-N 1 0 367.421 2.287 20 5 FEBDRO COc1ccccc1C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000185866731 327936497 /nfs/dbraw/zinc/93/64/97/327936497.db2.gz HKBBHFKVXJRWKB-DLBZAZTESA-N 1 0 362.430 2.018 20 5 FEBDRO C[NH+](C)CCCOC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804535906 674290711 /nfs/dbraw/zinc/29/07/11/674290711.db2.gz YFTTZUCEMSKMHB-UHFFFAOYSA-N 1 0 352.391 2.440 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000186250218 327953744 /nfs/dbraw/zinc/95/37/44/327953744.db2.gz ITNQMWBNDVSFPK-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186656672 327973480 /nfs/dbraw/zinc/97/34/80/327973480.db2.gz LBXFTPSDBYBMMJ-CQSZACIVSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000553893503 674292702 /nfs/dbraw/zinc/29/27/02/674292702.db2.gz TZKHBSUHJRJRPK-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000186943937 327992425 /nfs/dbraw/zinc/99/24/25/327992425.db2.gz YGHPENXCZXHXHG-CKLFPEKLSA-N 1 0 354.204 2.167 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000188973908 328121002 /nfs/dbraw/zinc/12/10/02/328121002.db2.gz TXMFUBUEMPINLL-ZWNOBZJWSA-N 1 0 351.309 2.342 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893390 328174318 /nfs/dbraw/zinc/17/43/18/328174318.db2.gz IBGIPABDNUJMSL-ZDUSSCGKSA-N 1 0 355.460 2.166 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000190079680 328186429 /nfs/dbraw/zinc/18/64/29/328186429.db2.gz VVCWICDKCQEHEK-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO COc1cc(C[N@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190176031 328192558 /nfs/dbraw/zinc/19/25/58/328192558.db2.gz HSCMJBYTIQVEPM-UHFFFAOYSA-N 1 0 360.357 2.450 20 5 FEBDRO CCc1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190666937 328223476 /nfs/dbraw/zinc/22/34/76/328223476.db2.gz URLLMMUUDPLAGY-UHFFFAOYSA-N 1 0 372.429 2.484 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC000191531448 328269919 /nfs/dbraw/zinc/26/99/19/328269919.db2.gz FKWSFKZMBXRAAW-CQSZACIVSA-N 1 0 351.451 2.298 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000191801943 328282860 /nfs/dbraw/zinc/28/28/60/328282860.db2.gz MVKAWIZARZZKBL-MRXNPFEDSA-N 1 0 371.441 2.106 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192114679 328300395 /nfs/dbraw/zinc/30/03/95/328300395.db2.gz JITAUASAXZYUCA-DOTOQJQBSA-N 1 0 365.336 2.155 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000193295153 328367212 /nfs/dbraw/zinc/36/72/12/328367212.db2.gz WZJGHOJYWVTRFO-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000056020300 324793546 /nfs/dbraw/zinc/79/35/46/324793546.db2.gz MSEYDGHEUQKSOI-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000083249251 325217664 /nfs/dbraw/zinc/21/76/64/325217664.db2.gz NROSFTDQMQBPLR-ARFHVFGLSA-N 1 0 354.451 2.068 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237675872 328524519 /nfs/dbraw/zinc/52/45/19/328524519.db2.gz BANJHYJUVAHFQN-UKRRQHHQSA-N 1 0 357.414 2.129 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000090015512 325351569 /nfs/dbraw/zinc/35/15/69/325351569.db2.gz VPPIBSXRGQEPPY-NSHDSACASA-N 1 0 355.441 2.285 20 5 FEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cccc1[N+](=O)[O-] ZINC000090116125 325354023 /nfs/dbraw/zinc/35/40/23/325354023.db2.gz OORQAPAKQQEZCS-DZGCQCFKSA-N 1 0 357.414 2.483 20 5 FEBDRO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)C2=O)n(C)n1 ZINC000090170681 325355758 /nfs/dbraw/zinc/35/57/58/325355758.db2.gz YMXZVHXUXNCBBD-ZFWWWQNUSA-N 1 0 357.414 2.401 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000108401798 325641709 /nfs/dbraw/zinc/64/17/09/325641709.db2.gz XVVAKCFTDKZLQW-QGZVFWFLSA-N 1 0 367.471 2.375 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000108401533 325641725 /nfs/dbraw/zinc/64/17/25/325641725.db2.gz KOKBNRFMHDQDHF-AWEZNQCLSA-N 1 0 353.444 2.234 20 5 FEBDRO CC(C)[NH+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000109983055 325681482 /nfs/dbraw/zinc/68/14/82/325681482.db2.gz MSXUIPAEKXWBCV-UHFFFAOYSA-N 1 0 360.414 2.285 20 5 FEBDRO Cc1ccnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000115516219 325963550 /nfs/dbraw/zinc/96/35/50/325963550.db2.gz ARVZXNSYZHOEFQ-UHFFFAOYSA-N 1 0 362.352 2.389 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000116361366 326009498 /nfs/dbraw/zinc/00/94/98/326009498.db2.gz RGZKUYWLLYFDJR-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cnn(C)c1 ZINC000117337878 326058210 /nfs/dbraw/zinc/05/82/10/326058210.db2.gz PRSSVPCAVLBJFI-UHFFFAOYSA-N 1 0 359.386 2.148 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+][C@@](C)(C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000120024821 326222914 /nfs/dbraw/zinc/22/29/14/326222914.db2.gz LPOWFRCTPAVBJH-LJQANCHMSA-N 1 0 370.409 2.222 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000120539325 326266846 /nfs/dbraw/zinc/26/68/46/326266846.db2.gz RJLDZNCZJSCTAI-UHFFFAOYSA-N 1 0 371.441 2.186 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000120724613 326282678 /nfs/dbraw/zinc/28/26/78/326282678.db2.gz ZYZUKISSEVZGQE-WDEREUQCSA-N 1 0 368.821 2.128 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121087966 326312140 /nfs/dbraw/zinc/31/21/40/326312140.db2.gz SRHRDORYWPLEHI-GUYCJALGSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1c(CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709881 326360482 /nfs/dbraw/zinc/36/04/82/326360482.db2.gz GVFMBTZURIZZHT-GOSISDBHSA-N 1 0 374.485 2.074 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000122333157 326392802 /nfs/dbraw/zinc/39/28/02/326392802.db2.gz WIJNTEOLAHEMEI-DLBZAZTESA-N 1 0 365.405 2.232 20 5 FEBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000122346218 326393310 /nfs/dbraw/zinc/39/33/10/326393310.db2.gz JZHFCMDFUBYDEA-MRVPVSSYSA-N 1 0 354.215 2.013 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000122849475 326411576 /nfs/dbraw/zinc/41/15/76/326411576.db2.gz KHVIFWVRSOVGLD-MRXNPFEDSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1sc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000123249503 326425222 /nfs/dbraw/zinc/42/52/22/326425222.db2.gz QQILTBZVEQIBEN-LLVKDONJSA-N 1 0 361.489 2.365 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000126892302 326496851 /nfs/dbraw/zinc/49/68/51/326496851.db2.gz QAHMLTCJZOJGDO-INIZCTEOSA-N 1 0 373.409 2.457 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000128039444 326516981 /nfs/dbraw/zinc/51/69/81/326516981.db2.gz PGCKSIYOXKGKKL-CYBMUJFWSA-N 1 0 363.439 2.444 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129100513 326534702 /nfs/dbraw/zinc/53/47/02/326534702.db2.gz LJXKCNHYIDPESQ-OAGGEKHMSA-N 1 0 360.414 2.305 20 5 FEBDRO C[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000132208693 326589000 /nfs/dbraw/zinc/58/90/00/326589000.db2.gz KQLVNWHZEWSAFI-UHFFFAOYSA-N 1 0 370.247 2.358 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc2sccn21 ZINC000132980647 326601159 /nfs/dbraw/zinc/60/11/59/326601159.db2.gz GFDCDHNBZPWZPX-CHWSQXEVSA-N 1 0 365.459 2.484 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153217575 326727099 /nfs/dbraw/zinc/72/70/99/326727099.db2.gz APRJGWKBSFPJKI-RYUDHWBXSA-N 1 0 353.444 2.045 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000154189249 326753499 /nfs/dbraw/zinc/75/34/99/326753499.db2.gz VSGZZBMFMFHDSW-MRXNPFEDSA-N 1 0 367.471 2.375 20 5 FEBDRO C[C@@](CO)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000156221780 326822566 /nfs/dbraw/zinc/82/25/66/326822566.db2.gz RETMZMCMOBDYNX-IBGZPJMESA-N 1 0 361.442 2.405 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159623596 326937075 /nfs/dbraw/zinc/93/70/75/326937075.db2.gz PTJYNGONIRILOR-UHFFFAOYSA-N 1 0 351.794 2.175 20 5 FEBDRO CN(C)C(=O)C1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000162582001 327029209 /nfs/dbraw/zinc/02/92/09/327029209.db2.gz JUKUTCSCTNSRGJ-UHFFFAOYSA-N 1 0 371.441 2.296 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000163210415 327046007 /nfs/dbraw/zinc/04/60/07/327046007.db2.gz LGCKDKHQIREIRR-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000163319474 327048803 /nfs/dbraw/zinc/04/88/03/327048803.db2.gz UNYXECRXBWFJHW-HNNXBMFYSA-N 1 0 369.425 2.338 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000163776636 327058623 /nfs/dbraw/zinc/05/86/23/327058623.db2.gz FFGMLJFLHWKWNR-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO Cn1cc(C[NH2+]CCN2CCOC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171766616 327160135 /nfs/dbraw/zinc/16/01/35/327160135.db2.gz ZLMZVHXORYDXTQ-UHFFFAOYSA-N 1 0 373.457 2.196 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H](OCCO)C3)o2)c1 ZINC000172301548 327194125 /nfs/dbraw/zinc/19/41/25/327194125.db2.gz DUPRBKBSKZXGOZ-MRXNPFEDSA-N 1 0 361.398 2.266 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619137 327212076 /nfs/dbraw/zinc/21/20/76/327212076.db2.gz QRLHOJNGJVEREI-HIFRSBDPSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000173273502 327245513 /nfs/dbraw/zinc/24/55/13/327245513.db2.gz BBYXBYIHDGRJLQ-WDEREUQCSA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173474116 327259903 /nfs/dbraw/zinc/25/99/03/327259903.db2.gz VMMDIMRTKPFLTB-RDJZCZTQSA-N 1 0 372.425 2.224 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173948671 327296918 /nfs/dbraw/zinc/29/69/18/327296918.db2.gz KWZUHVGMBGPJJS-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174150513 327308915 /nfs/dbraw/zinc/30/89/15/327308915.db2.gz AQSSCWQISWCGTD-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000174711781 327345030 /nfs/dbraw/zinc/34/50/30/327345030.db2.gz QFMIBTSXRABVGC-UHFFFAOYSA-N 1 0 368.437 2.423 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000174792662 327351532 /nfs/dbraw/zinc/35/15/32/327351532.db2.gz DUJFHYBKSMJUKS-GOSISDBHSA-N 1 0 365.430 2.463 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000174818017 327353006 /nfs/dbraw/zinc/35/30/06/327353006.db2.gz FGDYTWKLOFWAJG-INIZCTEOSA-N 1 0 372.429 2.468 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177563995 327530750 /nfs/dbraw/zinc/53/07/50/327530750.db2.gz WAJXBXDVJSGNDX-HNNXBMFYSA-N 1 0 371.441 2.484 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178013193 327558801 /nfs/dbraw/zinc/55/88/01/327558801.db2.gz YSOPVYZVGFYLPC-PWSUYJOCSA-N 1 0 368.821 2.176 20 5 FEBDRO COCCOc1cc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCC3)no2)cc1OC ZINC000261664398 328809810 /nfs/dbraw/zinc/80/98/10/328809810.db2.gz FUPVDUNEFLSLBW-UHFFFAOYSA-N 1 0 364.358 2.017 20 5 FEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261680035 328811043 /nfs/dbraw/zinc/81/10/43/328811043.db2.gz HTPVDLYALMODTK-JGVFFNPUSA-N 1 0 360.183 2.306 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)NCC2C[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261932302 328830454 /nfs/dbraw/zinc/83/04/54/328830454.db2.gz LLVZXJZTCBRIBY-GFCCVEGCSA-N 1 0 355.398 2.112 20 5 FEBDRO Cc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000264266927 329005905 /nfs/dbraw/zinc/00/59/05/329005905.db2.gz QVEQWXLBFNVVSK-UHFFFAOYSA-N 1 0 365.821 2.484 20 5 FEBDRO COc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000264541402 329034136 /nfs/dbraw/zinc/03/41/36/329034136.db2.gz QSBSVITZGQPIHJ-UHFFFAOYSA-N 1 0 363.336 2.425 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000264568818 329036467 /nfs/dbraw/zinc/03/64/67/329036467.db2.gz WPHQLRWNOVFPON-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO Cn1c(Sc2ncc([N+](=O)[O-])cc2Cl)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265476654 329131074 /nfs/dbraw/zinc/13/10/74/329131074.db2.gz FSUNHGKUANFXAQ-MRVPVSSYSA-N 1 0 354.823 2.390 20 5 FEBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265476644 329131093 /nfs/dbraw/zinc/13/10/93/329131093.db2.gz FRYYOAWHBRWBCT-JTQLQIEISA-N 1 0 355.416 2.335 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000265478525 329131258 /nfs/dbraw/zinc/13/12/58/329131258.db2.gz BVTOZHOLBRXXLO-UHFFFAOYSA-N 1 0 362.821 2.402 20 5 FEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265954958 329176071 /nfs/dbraw/zinc/17/60/71/329176071.db2.gz FHRDVNIZUNSLTH-OAHLLOKOSA-N 1 0 356.426 2.494 20 5 FEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266229056 329202689 /nfs/dbraw/zinc/20/26/89/329202689.db2.gz TXDDTTOZKSJKQI-OAHLLOKOSA-N 1 0 369.425 2.047 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266629571 329243385 /nfs/dbraw/zinc/24/33/85/329243385.db2.gz HSWDKECTIRQSIW-UHFFFAOYSA-N 1 0 365.405 2.451 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(C(=O)NCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000266818103 329262630 /nfs/dbraw/zinc/26/26/30/329262630.db2.gz ITWGGVOGYRKSKL-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183584 329300243 /nfs/dbraw/zinc/30/02/43/329300243.db2.gz NGSQBHMYAGXUAP-BLLLJJGKSA-N 1 0 352.460 2.392 20 5 FEBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@@H](C)O1 ZINC000267368900 329319851 /nfs/dbraw/zinc/31/98/51/329319851.db2.gz FKBAIZIYNSQOGE-ZIAGYGMSSA-N 1 0 364.446 2.274 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369637 329320188 /nfs/dbraw/zinc/32/01/88/329320188.db2.gz FUJMOPOLINRSLX-MAUKXSAKSA-N 1 0 371.441 2.208 20 5 FEBDRO Cc1c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156088 329391399 /nfs/dbraw/zinc/39/13/99/329391399.db2.gz HDOIUUDXJNCSJY-OTYXRUKQSA-N 1 0 362.386 2.332 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269180355 329493919 /nfs/dbraw/zinc/49/39/19/329493919.db2.gz HXXCXWWQGWLPSJ-RYUDHWBXSA-N 1 0 350.375 2.238 20 5 FEBDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269213663 329497039 /nfs/dbraw/zinc/49/70/39/329497039.db2.gz SLNBEUBZINVKLN-KOLCDFICSA-N 1 0 360.336 2.269 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000270173318 329579707 /nfs/dbraw/zinc/57/97/07/329579707.db2.gz DEQYLLHXOYLNNC-CYBMUJFWSA-N 1 0 371.434 2.086 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270194886 329581416 /nfs/dbraw/zinc/58/14/16/329581416.db2.gz IDZGCVKAYOHDLO-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CS[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1[NH+](C)C ZINC000270626364 329616416 /nfs/dbraw/zinc/61/64/16/329616416.db2.gz FJYZHJNSJONULU-KGLIPLIRSA-N 1 0 363.443 2.122 20 5 FEBDRO Cn1ccnc1[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272570756 329792937 /nfs/dbraw/zinc/79/29/37/329792937.db2.gz VUILDOMTNMZMKC-QGZVFWFLSA-N 1 0 373.457 2.118 20 5 FEBDRO COc1ccc(CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272704620 329806196 /nfs/dbraw/zinc/80/61/96/329806196.db2.gz ZWKQUJJEGPMDOI-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000275860479 330097397 /nfs/dbraw/zinc/09/73/97/330097397.db2.gz TZZJWGJUFXKNOO-YJBOKZPZSA-N 1 0 366.414 2.117 20 5 FEBDRO C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@H+](C)CC1 ZINC000276317625 330140163 /nfs/dbraw/zinc/14/01/63/330140163.db2.gz PMCAZGDPDWFRKX-CYBMUJFWSA-N 1 0 360.414 2.018 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000286427021 330184334 /nfs/dbraw/zinc/18/43/34/330184334.db2.gz QFOLPVKDLXOMTA-UHFFFAOYSA-N 1 0 367.446 2.167 20 5 FEBDRO CC1(C)C[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433137976 330272448 /nfs/dbraw/zinc/27/24/48/330272448.db2.gz QLMBHJKOTSETGC-INIZCTEOSA-N 1 0 367.471 2.331 20 5 FEBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804854248 674303680 /nfs/dbraw/zinc/30/36/80/674303680.db2.gz DQULKGVWTPJBPL-QMMMGPOBSA-N 1 0 355.338 2.250 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000554800144 674336942 /nfs/dbraw/zinc/33/69/42/674336942.db2.gz CMKJZSGBRMHTQD-ZDUSSCGKSA-N 1 0 352.410 2.101 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000555414723 674360234 /nfs/dbraw/zinc/36/02/34/674360234.db2.gz DMQFERAHKWKZFM-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000157306107 545725759 /nfs/dbraw/zinc/72/57/59/545725759.db2.gz OYCGNFITTNSCCM-RDTXWAMCSA-N 1 0 369.425 2.337 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000477695342 561151306 /nfs/dbraw/zinc/15/13/06/561151306.db2.gz RQIHBOWQSYMWEZ-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@@H]21 ZINC000157733200 545776038 /nfs/dbraw/zinc/77/60/38/545776038.db2.gz QHOLFAHWTXMJHR-HOCLYGCPSA-N 1 0 369.425 2.337 20 5 FEBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C1 ZINC000158290137 545845084 /nfs/dbraw/zinc/84/50/84/545845084.db2.gz PTYKQWFWRQUWAT-UHFFFAOYSA-N 1 0 370.409 2.367 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000478401566 561165941 /nfs/dbraw/zinc/16/59/41/561165941.db2.gz RBCSEPVZKCLPPJ-QZTJIDSGSA-N 1 0 355.394 2.188 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159845343 545984718 /nfs/dbraw/zinc/98/47/18/545984718.db2.gz FIBNAEGSDFAVAM-QGZVFWFLSA-N 1 0 370.453 2.353 20 5 FEBDRO C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000159862441 545987481 /nfs/dbraw/zinc/98/74/81/545987481.db2.gz JXDPAWYSLFKORQ-QGZVFWFLSA-N 1 0 370.453 2.353 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160218626 546017406 /nfs/dbraw/zinc/01/74/06/546017406.db2.gz ISJMHUJCFFQIJO-HIFRSBDPSA-N 1 0 367.471 2.038 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000161343436 546121424 /nfs/dbraw/zinc/12/14/24/546121424.db2.gz PSWKULZINIHVCJ-IRXDYDNUSA-N 1 0 371.441 2.456 20 5 FEBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000479250854 561185859 /nfs/dbraw/zinc/18/58/59/561185859.db2.gz IVLXRIOAFHFDPA-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000479375779 561188473 /nfs/dbraw/zinc/18/84/73/561188473.db2.gz GVDRKVUFBPOQTN-UHFFFAOYSA-N 1 0 373.461 2.269 20 5 FEBDRO [NH3+]CCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000479785534 561197012 /nfs/dbraw/zinc/19/70/12/561197012.db2.gz SNJWZEUVEQTAFM-UHFFFAOYSA-N 1 0 368.437 2.335 20 5 FEBDRO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175903866 546368671 /nfs/dbraw/zinc/36/86/71/546368671.db2.gz ZTRSCKHNRXRZGV-HUUCEWRRSA-N 1 0 362.430 2.020 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000176050819 546396567 /nfs/dbraw/zinc/39/65/67/546396567.db2.gz GVIAUUMTGUSRAI-WFASDCNBSA-N 1 0 350.419 2.085 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000176468363 546451016 /nfs/dbraw/zinc/45/10/16/546451016.db2.gz KYJWNYZVMIJUOH-CQSZACIVSA-N 1 0 364.446 2.381 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000176794972 546488609 /nfs/dbraw/zinc/48/86/09/546488609.db2.gz WHWMHWMLJBXJAJ-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2c[nH+]ccc21 ZINC000176975059 546516745 /nfs/dbraw/zinc/51/67/45/546516745.db2.gz GCZZXNWNPQEUGM-UHFFFAOYSA-N 1 0 368.802 2.288 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccc(F)cc1 ZINC000177053224 546533261 /nfs/dbraw/zinc/53/32/61/546533261.db2.gz XHOABHOBEHSESD-UHFFFAOYSA-N 1 0 364.352 2.317 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000177347468 546598868 /nfs/dbraw/zinc/59/88/68/546598868.db2.gz SQTSIGJZXLDVJL-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178071098 546734306 /nfs/dbraw/zinc/73/43/06/546734306.db2.gz GOWMIGMJFZPEEV-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO CCCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178884412 546867522 /nfs/dbraw/zinc/86/75/22/546867522.db2.gz HZTRNNRXRMZSLY-AWEZNQCLSA-N 1 0 367.471 2.437 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000179761514 547009593 /nfs/dbraw/zinc/00/95/93/547009593.db2.gz REFPSGLCUIVQPK-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](C)N1CCOCC1 ZINC000181598923 547342546 /nfs/dbraw/zinc/34/25/46/547342546.db2.gz HBGDPKDBZWRQTG-QWRGUYRKSA-N 1 0 373.356 2.035 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181953759 547412037 /nfs/dbraw/zinc/41/20/37/547412037.db2.gz RVEBSJHADCERLX-MRXNPFEDSA-N 1 0 365.430 2.142 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000181958883 547413808 /nfs/dbraw/zinc/41/38/08/547413808.db2.gz KMELUXVLZOCLBA-WMZOPIPTSA-N 1 0 372.421 2.316 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H]1c1ccccc1 ZINC000182777528 547551420 /nfs/dbraw/zinc/55/14/20/547551420.db2.gz DKYZIZZLUDFQBN-YOEHRIQHSA-N 1 0 369.377 2.499 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000484088662 561291229 /nfs/dbraw/zinc/29/12/29/561291229.db2.gz LMEMQOBUSCOHIW-NXEZZACHSA-N 1 0 361.320 2.345 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000182960640 547580004 /nfs/dbraw/zinc/58/00/04/547580004.db2.gz MSAUMQCBPQJKBF-WCQYABFASA-N 1 0 359.423 2.003 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000183051123 547592049 /nfs/dbraw/zinc/59/20/49/547592049.db2.gz INFVKOCFOAMFRP-OKACTXMXSA-N 1 0 359.426 2.179 20 5 FEBDRO C[C@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183293655 547633922 /nfs/dbraw/zinc/63/39/22/547633922.db2.gz XLLJXVJEKISBON-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183297999 547634812 /nfs/dbraw/zinc/63/48/12/547634812.db2.gz WPYSEGWYDWDWIR-ZDUSSCGKSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183390258 547649173 /nfs/dbraw/zinc/64/91/73/547649173.db2.gz VNIKPSNEZCGREN-MNOVXSKESA-N 1 0 361.402 2.323 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000183454988 547663129 /nfs/dbraw/zinc/66/31/29/547663129.db2.gz ZCPLQIZAHLDDCB-UHFFFAOYSA-N 1 0 363.439 2.112 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183462251 547665370 /nfs/dbraw/zinc/66/53/70/547665370.db2.gz MYPGCQLYPRVCTL-NSHDSACASA-N 1 0 361.402 2.325 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000183728114 547708468 /nfs/dbraw/zinc/70/84/68/547708468.db2.gz XFJRMUDBQUWWMM-RHSMWYFYSA-N 1 0 369.487 2.129 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617153 561301321 /nfs/dbraw/zinc/30/13/21/561301321.db2.gz MDXZGXVJIWMGQC-VCTAVGKDSA-N 1 0 371.821 2.359 20 5 FEBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000484643798 561301984 /nfs/dbraw/zinc/30/19/84/561301984.db2.gz DMGWRTACYWGXDI-YTQUADARSA-N 1 0 374.441 2.440 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000184105769 547770419 /nfs/dbraw/zinc/77/04/19/547770419.db2.gz BSAZXJDCJPORPB-UHFFFAOYSA-N 1 0 365.478 2.460 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184297068 547801913 /nfs/dbraw/zinc/80/19/13/547801913.db2.gz TTYPOAYEDLPJFS-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000184695093 547867415 /nfs/dbraw/zinc/86/74/15/547867415.db2.gz NMAMVRQCNWXCJT-KRWDZBQOSA-N 1 0 363.458 2.392 20 5 FEBDRO C[NH+](C)CC1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000185091683 547931403 /nfs/dbraw/zinc/93/14/03/547931403.db2.gz TXERWALZDIGXFJ-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000185158367 547942754 /nfs/dbraw/zinc/94/27/54/547942754.db2.gz IKUZQYZJBYCZLQ-LJQANCHMSA-N 1 0 369.421 2.155 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000185225816 547955519 /nfs/dbraw/zinc/95/55/19/547955519.db2.gz DOQPAXDQRNDROH-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO CSc1cccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000485500225 561320480 /nfs/dbraw/zinc/32/04/80/561320480.db2.gz XTJGVRBRONLNIB-YPMHNXCESA-N 1 0 355.485 2.434 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186042887 548076845 /nfs/dbraw/zinc/07/68/45/548076845.db2.gz QVLZBMRORMTWKT-GFCCVEGCSA-N 1 0 369.853 2.396 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C)CC[NH+]2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000486874074 561358800 /nfs/dbraw/zinc/35/88/00/561358800.db2.gz WDEXTTQTCDOEIY-UHFFFAOYSA-N 1 0 364.402 2.249 20 5 FEBDRO C[C@@H](O)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000226485232 548748504 /nfs/dbraw/zinc/74/85/04/548748504.db2.gz LFOZKYDUEQWZHS-RHSMWYFYSA-N 1 0 352.431 2.350 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000237050027 548796703 /nfs/dbraw/zinc/79/67/03/548796703.db2.gz HEQFIILFCQEDMZ-VXGBXAGGSA-N 1 0 351.403 2.202 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237189142 548806937 /nfs/dbraw/zinc/80/69/37/548806937.db2.gz YVXPGFMIMFUZSE-RYUDHWBXSA-N 1 0 355.822 2.474 20 5 FEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237478496 548829690 /nfs/dbraw/zinc/82/96/90/548829690.db2.gz CYVQGIPYFDVQFQ-KOLCDFICSA-N 1 0 356.220 2.238 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH3+])C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237492209 548830637 /nfs/dbraw/zinc/83/06/37/548830637.db2.gz ORYAQVVTBFZOQQ-PXAZEXFGSA-N 1 0 371.441 2.408 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c(C(F)(F)F)c1 ZINC000237796538 548854644 /nfs/dbraw/zinc/85/46/44/548854644.db2.gz MAJQVWGUCYGHSG-VIFPVBQESA-N 1 0 367.349 2.034 20 5 FEBDRO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237979531 548868716 /nfs/dbraw/zinc/86/87/16/548868716.db2.gz ORJZFAZBZNJRCJ-QMMMGPOBSA-N 1 0 354.215 2.013 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245459706 548926069 /nfs/dbraw/zinc/92/60/69/548926069.db2.gz VMMDIMRTKPFLTB-WBVHZDCISA-N 1 0 372.425 2.224 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000245896820 549013722 /nfs/dbraw/zinc/01/37/22/549013722.db2.gz PIQFIJPDFBUBGT-HOTGVXAUSA-N 1 0 373.384 2.099 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000246399345 549124607 /nfs/dbraw/zinc/12/46/07/549124607.db2.gz QHZIFJVIEYKWKT-XLIONFOSSA-N 1 0 372.421 2.316 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890531 549236431 /nfs/dbraw/zinc/23/64/31/549236431.db2.gz MANYGCVNZMMOLW-OLMNPRSZSA-N 1 0 358.442 2.116 20 5 FEBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488997366 561401279 /nfs/dbraw/zinc/40/12/79/561401279.db2.gz RWAWQAGHQAZOAW-OAHLLOKOSA-N 1 0 371.441 2.442 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247230050 549303096 /nfs/dbraw/zinc/30/30/96/549303096.db2.gz RYTUYUMTQLDJTR-XJKSGUPXSA-N 1 0 371.441 2.420 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000247649166 549368623 /nfs/dbraw/zinc/36/86/23/549368623.db2.gz PCIOPJQWRDBUGC-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)CCO[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248453348 549440733 /nfs/dbraw/zinc/44/07/33/549440733.db2.gz JXOZPOXZTYBMBG-HZPDHXFCSA-N 1 0 352.431 2.472 20 5 FEBDRO C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(N)=O)C1 ZINC000249593939 549609198 /nfs/dbraw/zinc/60/91/98/549609198.db2.gz WFXVUPSCWRVROJ-IUODEOHRSA-N 1 0 358.398 2.378 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249687221 549615423 /nfs/dbraw/zinc/61/54/23/549615423.db2.gz KHVPQOLCVJYTIY-RHSMWYFYSA-N 1 0 364.446 2.312 20 5 FEBDRO CCCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000262017379 549780518 /nfs/dbraw/zinc/78/05/18/549780518.db2.gz VUUJCWCIKYQJHY-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO COc1cc(CN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262023626 549781543 /nfs/dbraw/zinc/78/15/43/549781543.db2.gz NILUDIYJOVTUSZ-INIZCTEOSA-N 1 0 357.357 2.390 20 5 FEBDRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262194762 549796808 /nfs/dbraw/zinc/79/68/08/549796808.db2.gz VDFCQGRVTVWAIB-XHSDSOJGSA-N 1 0 358.442 2.164 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262302657 549808373 /nfs/dbraw/zinc/80/83/73/549808373.db2.gz BRQIOYLYNCIMLB-MRXNPFEDSA-N 1 0 355.394 2.367 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000263779942 549935660 /nfs/dbraw/zinc/93/56/60/549935660.db2.gz VGMZFMIUKMKBAW-UHFFFAOYSA-N 1 0 373.356 2.419 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263901892 549953224 /nfs/dbraw/zinc/95/32/24/549953224.db2.gz CQQMKGHAYVHHDZ-INIZCTEOSA-N 1 0 360.458 2.364 20 5 FEBDRO COc1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268290243 550045326 /nfs/dbraw/zinc/04/53/26/550045326.db2.gz UQDNZIDGKDLXCD-UHFFFAOYSA-N 1 0 371.459 2.097 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000491977465 561448693 /nfs/dbraw/zinc/44/86/93/561448693.db2.gz PFGARYJJBYWIGD-SJORKVTESA-N 1 0 365.405 2.232 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000268780654 550115257 /nfs/dbraw/zinc/11/52/57/550115257.db2.gz CFLIGYCGJUZUNU-NSHDSACASA-N 1 0 351.790 2.485 20 5 FEBDRO C[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000268823885 550120178 /nfs/dbraw/zinc/12/01/78/550120178.db2.gz QFEZEFVJJIODRD-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907557 550130273 /nfs/dbraw/zinc/13/02/73/550130273.db2.gz LSCNLTLPQBGXHE-LSDHHAIUSA-N 1 0 362.430 2.229 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269238090 550171138 /nfs/dbraw/zinc/17/11/38/550171138.db2.gz XMOLCLBJKRJWTE-WCBMZHEXSA-N 1 0 359.329 2.014 20 5 FEBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487543 550277007 /nfs/dbraw/zinc/27/70/07/550277007.db2.gz UBQVVJRSUSAGJT-CRAIPNDOSA-N 1 0 363.414 2.269 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCCO1 ZINC000270709808 550299278 /nfs/dbraw/zinc/29/92/78/550299278.db2.gz HTBPWPVXXBHOGQ-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270730820 550301446 /nfs/dbraw/zinc/30/14/46/550301446.db2.gz YKKGWLMJYDSPOO-KRWDZBQOSA-N 1 0 363.458 2.226 20 5 FEBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2C1 ZINC000271046366 550335176 /nfs/dbraw/zinc/33/51/76/550335176.db2.gz OYJKWQGEJBEKMW-UHFFFAOYSA-N 1 0 370.409 2.367 20 5 FEBDRO CC(C)OCCOC[C@H](O)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271121867 550342506 /nfs/dbraw/zinc/34/25/06/550342506.db2.gz FKAZLPCHRYZMQU-DBWMJRBXSA-N 1 0 352.431 2.342 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271132524 550343461 /nfs/dbraw/zinc/34/34/61/550343461.db2.gz QKQGVBWTROMUHS-AWEZNQCLSA-N 1 0 371.441 2.490 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000271346043 550367272 /nfs/dbraw/zinc/36/72/72/550367272.db2.gz SDJQVEIZCRTVDP-UHFFFAOYSA-N 1 0 372.372 2.161 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc(OC)c1OC ZINC000271831170 550405006 /nfs/dbraw/zinc/40/50/06/550405006.db2.gz XBOVBAGCJQHISL-LLVKDONJSA-N 1 0 350.375 2.168 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000272177248 550427529 /nfs/dbraw/zinc/42/75/29/550427529.db2.gz JNODGUPJOCATIK-KSSFIOAISA-N 1 0 358.442 2.361 20 5 FEBDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486009 550452619 /nfs/dbraw/zinc/45/26/19/550452619.db2.gz RMEKRDNZRBGWET-DZGCQCFKSA-N 1 0 355.398 2.085 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000273105234 550485215 /nfs/dbraw/zinc/48/52/15/550485215.db2.gz MXDQBCULFCXTCA-QGZVFWFLSA-N 1 0 369.421 2.400 20 5 FEBDRO CS[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274847377 550559107 /nfs/dbraw/zinc/55/91/07/550559107.db2.gz AICDPGJTOPLUIS-NEPJUHHUSA-N 1 0 367.475 2.093 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277006780 550621022 /nfs/dbraw/zinc/62/10/22/550621022.db2.gz KWLLOPQSSRSZEP-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000277253132 550647956 /nfs/dbraw/zinc/64/79/56/550647956.db2.gz KOOJRSFLCFSAHU-OAHLLOKOSA-N 1 0 363.414 2.328 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277783105 550713564 /nfs/dbraw/zinc/71/35/64/550713564.db2.gz UKTSGCSMZUIGOV-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000277812076 550716923 /nfs/dbraw/zinc/71/69/23/550716923.db2.gz QEMKSYNDBFPLTM-UHFFFAOYSA-N 1 0 359.386 2.269 20 5 FEBDRO CC[N@H+](CCO)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278171997 550756883 /nfs/dbraw/zinc/75/68/83/550756883.db2.gz ZADGZCRZJKRXLM-UHFFFAOYSA-N 1 0 353.422 2.138 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000278441377 550786682 /nfs/dbraw/zinc/78/66/82/550786682.db2.gz KMHPSGCNDUGZEI-UHFFFAOYSA-N 1 0 354.370 2.201 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278443425 550786823 /nfs/dbraw/zinc/78/68/23/550786823.db2.gz QVNJPRGUNXSEEM-UHFFFAOYSA-N 1 0 361.368 2.082 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278760171 550819197 /nfs/dbraw/zinc/81/91/97/550819197.db2.gz KPUIFOHICUUSKZ-UHOFOFEASA-N 1 0 351.403 2.096 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000278786172 550821951 /nfs/dbraw/zinc/82/19/51/550821951.db2.gz OORCUTUATPOXSP-NOLJZWGESA-N 1 0 351.403 2.014 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000278786157 550821970 /nfs/dbraw/zinc/82/19/70/550821970.db2.gz OORCUTUATPOXSP-DUVNUKRYSA-N 1 0 351.403 2.014 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000278880276 550831915 /nfs/dbraw/zinc/83/19/15/550831915.db2.gz PBCTYXOXVVRLJR-HNNXBMFYSA-N 1 0 361.442 2.239 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000279154017 550859517 /nfs/dbraw/zinc/85/95/17/550859517.db2.gz HPFPYZBHVSQHDV-NEPJUHHUSA-N 1 0 352.410 2.355 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cccs1 ZINC000279221737 550866515 /nfs/dbraw/zinc/86/65/15/550866515.db2.gz NSAWCXKUXDSEQH-CYBMUJFWSA-N 1 0 352.391 2.410 20 5 FEBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225223 550866804 /nfs/dbraw/zinc/86/68/04/550866804.db2.gz IOFJLJAKPRNADY-KBAYOESNSA-N 1 0 359.426 2.495 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270490 550871813 /nfs/dbraw/zinc/87/18/13/550871813.db2.gz NHLCZVWDMUUDTD-IPELMVKDSA-N 1 0 371.437 2.421 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(CCO)CCOCC1 ZINC000495445412 561488234 /nfs/dbraw/zinc/48/82/34/561488234.db2.gz UYBXBQDYNDLYIV-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCC[NH+]1CCOCC1 ZINC000280142721 550965018 /nfs/dbraw/zinc/96/50/18/550965018.db2.gz MMASCYCCKQDZMP-UHFFFAOYSA-N 1 0 373.812 2.158 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282822369 551274487 /nfs/dbraw/zinc/27/44/87/551274487.db2.gz IYWITLSICJVMGS-ZDUSSCGKSA-N 1 0 365.821 2.323 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000497672618 561506037 /nfs/dbraw/zinc/50/60/37/561506037.db2.gz YVULSKMCUAOKDI-UHFFFAOYSA-N 1 0 371.441 2.402 20 5 FEBDRO CC[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000498039407 561514402 /nfs/dbraw/zinc/51/44/02/561514402.db2.gz VIOFOZXUKGRAQN-QGZVFWFLSA-N 1 0 371.441 2.053 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498555133 561528211 /nfs/dbraw/zinc/52/82/11/561528211.db2.gz OSKFNUBORPVNSX-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO CN1C[C@@H]2[C@@H](CCC[N@@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000284902634 551662885 /nfs/dbraw/zinc/66/28/85/551662885.db2.gz RXYRSKYAIICPRX-HZPDHXFCSA-N 1 0 370.409 2.345 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000284994537 551685426 /nfs/dbraw/zinc/68/54/26/551685426.db2.gz YLJNSZCATOBORE-CDHAZOANSA-N 1 0 357.414 2.341 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285305443 551735325 /nfs/dbraw/zinc/73/53/25/551735325.db2.gz HPWAXBGDHMJXIT-MRXNPFEDSA-N 1 0 360.418 2.347 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000285843109 551817933 /nfs/dbraw/zinc/81/79/33/551817933.db2.gz OUTJUOJFBPCNEN-LSDHHAIUSA-N 1 0 369.425 2.479 20 5 FEBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000285890587 551824304 /nfs/dbraw/zinc/82/43/04/551824304.db2.gz XLIZKKFYVYRQQU-OAHLLOKOSA-N 1 0 359.386 2.053 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000285966547 551832778 /nfs/dbraw/zinc/83/27/78/551832778.db2.gz DLRIKBGCEQCEFX-JSGCOSHPSA-N 1 0 351.403 2.073 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C2)CC1 ZINC000286126592 551851624 /nfs/dbraw/zinc/85/16/24/551851624.db2.gz FNWAFJHVENHBJD-ZDUSSCGKSA-N 1 0 357.414 2.412 20 5 FEBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000286256458 551866515 /nfs/dbraw/zinc/86/65/15/551866515.db2.gz VJURIPYYCZJHCA-OAHLLOKOSA-N 1 0 358.398 2.218 20 5 FEBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000286266313 551867652 /nfs/dbraw/zinc/86/76/52/551867652.db2.gz VUSWCKYSQUQVDL-INIZCTEOSA-N 1 0 358.398 2.218 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000286537459 551897515 /nfs/dbraw/zinc/89/75/15/551897515.db2.gz PHQNYMPFDUASKO-UHFFFAOYSA-N 1 0 371.397 2.500 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286878422 551935837 /nfs/dbraw/zinc/93/58/37/551935837.db2.gz ZDQWZEZACGBUGT-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000287842641 552053597 /nfs/dbraw/zinc/05/35/97/552053597.db2.gz QRROVDYLOQGGNU-GFCCVEGCSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288231743 552115748 /nfs/dbraw/zinc/11/57/48/552115748.db2.gz AQPQHZJLLYIIPA-TZMCWYRMSA-N 1 0 372.429 2.239 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000499830253 561559406 /nfs/dbraw/zinc/55/94/06/561559406.db2.gz PNTDNPNMXNUDED-AWEZNQCLSA-N 1 0 352.435 2.426 20 5 FEBDRO [NH3+][C@H]1CCc2nc(NC(=O)CCNc3ccccc3[N+](=O)[O-])sc2C1 ZINC000288879441 552229511 /nfs/dbraw/zinc/22/95/11/552229511.db2.gz ZIKLIYMDYUTSJL-JTQLQIEISA-N 1 0 361.427 2.308 20 5 FEBDRO CN1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)c(F)c1 ZINC000289474091 552327230 /nfs/dbraw/zinc/32/72/30/552327230.db2.gz XHIJOUAORNOIHG-JKSUJKDBSA-N 1 0 351.357 2.105 20 5 FEBDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000500491951 561574895 /nfs/dbraw/zinc/57/48/95/561574895.db2.gz PKFLKYKSGKPKEL-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1nn(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1Br ZINC000289962620 552406174 /nfs/dbraw/zinc/40/61/74/552406174.db2.gz YOMBIZGMKZMHNL-UHFFFAOYSA-N 1 0 368.235 2.365 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290249881 552448492 /nfs/dbraw/zinc/44/84/92/552448492.db2.gz BIFJHXIYIXKEIF-SNVBAGLBSA-N 1 0 356.810 2.032 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291526528 552634196 /nfs/dbraw/zinc/63/41/96/552634196.db2.gz MWOKJTWTVVVZQX-JTQLQIEISA-N 1 0 362.213 2.352 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292038457 552687231 /nfs/dbraw/zinc/68/72/31/552687231.db2.gz RDHBOXQJGYLOGQ-CYBMUJFWSA-N 1 0 351.403 2.023 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293534330 552833100 /nfs/dbraw/zinc/83/31/00/552833100.db2.gz XGDJGVIMCVVFTF-JTQLQIEISA-N 1 0 361.320 2.064 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293568142 552836214 /nfs/dbraw/zinc/83/62/14/552836214.db2.gz XWFSVQJSNIVKHP-NOZJJQNGSA-N 1 0 354.204 2.181 20 5 FEBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720355 552850229 /nfs/dbraw/zinc/85/02/29/552850229.db2.gz MLFSNMZVZPXOFE-LBPRGKRZSA-N 1 0 358.398 2.353 20 5 FEBDRO COC[C@@]1(C(=O)OC)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000295034360 552952955 /nfs/dbraw/zinc/95/29/55/552952955.db2.gz SFKGMYLEFCFOSY-GOSISDBHSA-N 1 0 359.382 2.467 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295371634 552995608 /nfs/dbraw/zinc/99/56/08/552995608.db2.gz OULVJMXDIZEFPW-NSHDSACASA-N 1 0 362.386 2.368 20 5 FEBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])oc1C ZINC000502400894 561617687 /nfs/dbraw/zinc/61/76/87/561617687.db2.gz KIZUGFWMGMFILP-LBPRGKRZSA-N 1 0 367.427 2.434 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])[C@H]2C1 ZINC000502519163 561620273 /nfs/dbraw/zinc/62/02/73/561620273.db2.gz MSBKKBGGZBOEBO-UONOGXRCSA-N 1 0 365.455 2.252 20 5 FEBDRO COCCOC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC000296419381 553156805 /nfs/dbraw/zinc/15/68/05/553156805.db2.gz LHFMEDSMFJBJEH-CYBMUJFWSA-N 1 0 353.419 2.040 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000502851410 561627870 /nfs/dbraw/zinc/62/78/70/561627870.db2.gz LPMNJVUAXGVNAQ-OCCSQVGLSA-N 1 0 351.403 2.073 20 5 FEBDRO Nc1c(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000297232112 553267063 /nfs/dbraw/zinc/26/70/63/553267063.db2.gz PAXUSCKAFWVMFN-UKRRQHHQSA-N 1 0 358.373 2.273 20 5 FEBDRO Cc1nc(Sc2nnc(C3CC[NH2+]CC3)n2C(C)C)ncc1[N+](=O)[O-] ZINC000297288814 553273867 /nfs/dbraw/zinc/27/38/67/553273867.db2.gz XVPJZAHQTHESKB-UHFFFAOYSA-N 1 0 363.447 2.484 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000297811428 553341929 /nfs/dbraw/zinc/34/19/29/553341929.db2.gz INXXSAQXVMUNKF-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000297949849 553361433 /nfs/dbraw/zinc/36/14/33/553361433.db2.gz AWKFNMYRMOYXEB-HNNXBMFYSA-N 1 0 359.386 2.492 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000298502621 553433155 /nfs/dbraw/zinc/43/31/55/553433155.db2.gz ZMUCTCHAETVNJN-GFCCVEGCSA-N 1 0 363.414 2.216 20 5 FEBDRO CC[C@]1(CO)CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298602509 553447408 /nfs/dbraw/zinc/44/74/08/553447408.db2.gz SKQUCDVMAXCSMT-QGZVFWFLSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000298897847 553486475 /nfs/dbraw/zinc/48/64/75/553486475.db2.gz ACDQZZFGIAHZJZ-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000299234328 553534561 /nfs/dbraw/zinc/53/45/61/553534561.db2.gz JPHYNYDOIZRTIN-SWLSCSKDSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000299375962 553555073 /nfs/dbraw/zinc/55/50/73/553555073.db2.gz GCTJNZSRXQQNNL-UHFFFAOYSA-N 1 0 371.441 2.402 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000299429760 553562140 /nfs/dbraw/zinc/56/21/40/553562140.db2.gz XOBVYGUQWGMGBK-HNNXBMFYSA-N 1 0 374.441 2.094 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCC(CO)CC1 ZINC000299730808 553608839 /nfs/dbraw/zinc/60/88/39/553608839.db2.gz WXEHDDBIHRXOIZ-UHFFFAOYSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000301351986 553644556 /nfs/dbraw/zinc/64/45/56/553644556.db2.gz MXHYDJALZGGYCR-AWEZNQCLSA-N 1 0 366.437 2.349 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523674 553658011 /nfs/dbraw/zinc/65/80/11/553658011.db2.gz GUFHHHZKJGIMTA-UKRRQHHQSA-N 1 0 371.441 2.336 20 5 FEBDRO COC1CC[NH+](CCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301673435 553670781 /nfs/dbraw/zinc/67/07/81/553670781.db2.gz PCCUOHYHMAEPQH-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302602306 553722738 /nfs/dbraw/zinc/72/27/38/553722738.db2.gz CKFLDVQUIQTAQZ-ZDUSSCGKSA-N 1 0 355.460 2.309 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000319894245 553764489 /nfs/dbraw/zinc/76/44/89/553764489.db2.gz WKEFRBNVIDVORV-JTQLQIEISA-N 1 0 359.835 2.201 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000506031880 561687947 /nfs/dbraw/zinc/68/79/47/561687947.db2.gz NVXQCNWMZMUMLM-UHFFFAOYSA-N 1 0 372.429 2.220 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000507458234 561729939 /nfs/dbraw/zinc/72/99/39/561729939.db2.gz DEWXDUZFIHKRRJ-DLBZAZTESA-N 1 0 367.471 2.432 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000507552106 561732841 /nfs/dbraw/zinc/73/28/41/561732841.db2.gz PDISHXOADPHHGN-HNNXBMFYSA-N 1 0 363.458 2.490 20 5 FEBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000331507963 554276673 /nfs/dbraw/zinc/27/66/73/554276673.db2.gz BCFLTORZSMSAGR-BRWVUGGUSA-N 1 0 363.414 2.192 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331881166 554337392 /nfs/dbraw/zinc/33/73/92/554337392.db2.gz IMGPTBAZMNFOFN-WFASDCNBSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000331910126 554344484 /nfs/dbraw/zinc/34/44/84/554344484.db2.gz MUAZIQSDVODOCY-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332030021 554366788 /nfs/dbraw/zinc/36/67/88/554366788.db2.gz XASAJNMREQKBHM-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000332197838 554399532 /nfs/dbraw/zinc/39/95/32/554399532.db2.gz DZHVPOUFNNPTIW-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000332562098 554471998 /nfs/dbraw/zinc/47/19/98/554471998.db2.gz XEQUJCZWTKNXAR-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572362 554474268 /nfs/dbraw/zinc/47/42/68/554474268.db2.gz DTNWCQWBJCPCIM-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510668673 561842879 /nfs/dbraw/zinc/84/28/79/561842879.db2.gz SWFVLDFJZKBVAA-CVEARBPZSA-N 1 0 353.444 2.041 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000511338801 561865867 /nfs/dbraw/zinc/86/58/67/561865867.db2.gz BGFBCMOAVQOFCG-UHFFFAOYSA-N 1 0 359.423 2.230 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000361110196 554905026 /nfs/dbraw/zinc/90/50/26/554905026.db2.gz VOVHROHWXDRCTD-NHYWBVRUSA-N 1 0 352.822 2.213 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000361277556 554913838 /nfs/dbraw/zinc/91/38/38/554913838.db2.gz CDKJAVGMUVOCDT-DWVWOKEXSA-N 1 0 359.426 2.318 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076557 554948194 /nfs/dbraw/zinc/94/81/94/554948194.db2.gz HDQFUXSBBQVXOB-KGLIPLIRSA-N 1 0 355.398 2.137 20 5 FEBDRO COc1ccccc1C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362901197 554997198 /nfs/dbraw/zinc/99/71/98/554997198.db2.gz JEMHPXZOVVLOSW-MAUKXSAKSA-N 1 0 374.441 2.116 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2ccnn2C)C1 ZINC000363095583 555029024 /nfs/dbraw/zinc/02/90/24/555029024.db2.gz KPHVUIFATZATJO-CQSZACIVSA-N 1 0 357.414 2.455 20 5 FEBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118323 555033838 /nfs/dbraw/zinc/03/38/38/555033838.db2.gz WKSIVGKUUODFLQ-NVBFEUDRSA-N 1 0 351.353 2.429 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258705 555065696 /nfs/dbraw/zinc/06/56/96/555065696.db2.gz IHVFWLAQKSLEAV-DLTWYDFYSA-N 1 0 358.442 2.338 20 5 FEBDRO CCOC(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363443161 555106881 /nfs/dbraw/zinc/10/68/81/555106881.db2.gz YIZZAQAEXJCDSY-UHFFFAOYSA-N 1 0 364.402 2.088 20 5 FEBDRO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1=CC[N@H+](C)CC1 ZINC000512142835 561893880 /nfs/dbraw/zinc/89/38/80/561893880.db2.gz OEXFLUOOVNGJON-ZDUSSCGKSA-N 1 0 370.409 2.288 20 5 FEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000364121150 555253890 /nfs/dbraw/zinc/25/38/90/555253890.db2.gz PLXGZPWKCFLGMA-UHFFFAOYSA-N 1 0 361.423 2.336 20 5 FEBDRO O=C(CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cn1 ZINC000364340128 555294604 /nfs/dbraw/zinc/29/46/04/555294604.db2.gz RMFKKPYOXRPMOZ-LBPRGKRZSA-N 1 0 364.793 2.115 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427811 555312152 /nfs/dbraw/zinc/31/21/52/555312152.db2.gz SAVGPPMHWONYPW-INWMFGNUSA-N 1 0 365.405 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000364553743 555336317 /nfs/dbraw/zinc/33/63/17/555336317.db2.gz GCAITCWVKDEEDA-KSSFIOAISA-N 1 0 370.409 2.421 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364554070 555337054 /nfs/dbraw/zinc/33/70/54/555337054.db2.gz HIPCSBJYSQOBRJ-YOEHRIQHSA-N 1 0 355.398 2.116 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364558199 555338152 /nfs/dbraw/zinc/33/81/52/555338152.db2.gz BLJWVGCSTNZOBU-UHFFFAOYSA-N 1 0 370.409 2.454 20 5 FEBDRO C[NH+](C)CCOc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)ccn1 ZINC000512679129 561912157 /nfs/dbraw/zinc/91/21/57/561912157.db2.gz WJPXECQQCMJHND-UHFFFAOYSA-N 1 0 370.409 2.129 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000364952477 555448928 /nfs/dbraw/zinc/44/89/28/555448928.db2.gz CQANFWHRDIOICE-LLVKDONJSA-N 1 0 358.236 2.250 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512806453 561916118 /nfs/dbraw/zinc/91/61/18/561916118.db2.gz WCHZPEJJKFYCIY-NSHDSACASA-N 1 0 373.356 2.493 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000365047747 555472898 /nfs/dbraw/zinc/47/28/98/555472898.db2.gz YELBKDFZHFJPQF-CVEARBPZSA-N 1 0 350.415 2.083 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365059568 555475841 /nfs/dbraw/zinc/47/58/41/555475841.db2.gz ZYRIWHVXUFFMDB-KBPBESRZSA-N 1 0 359.835 2.140 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000365082284 555480995 /nfs/dbraw/zinc/48/09/95/555480995.db2.gz JQCICRUBYDFAMT-STQMWFEESA-N 1 0 373.413 2.040 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000365082282 555481276 /nfs/dbraw/zinc/48/12/76/555481276.db2.gz JQCICRUBYDFAMT-QWHCGFSZSA-N 1 0 373.413 2.040 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221790 555515053 /nfs/dbraw/zinc/51/50/53/555515053.db2.gz HRYCYTXTZIRVLG-VXGBXAGGSA-N 1 0 356.382 2.205 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365776821 555665478 /nfs/dbraw/zinc/66/54/78/555665478.db2.gz DGCAQHISYMWSSM-ZFWWWQNUSA-N 1 0 360.345 2.010 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365879038 555690576 /nfs/dbraw/zinc/69/05/76/555690576.db2.gz SGYWFSCLPDYSRU-UHFFFAOYSA-N 1 0 364.450 2.014 20 5 FEBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074745 555743796 /nfs/dbraw/zinc/74/37/96/555743796.db2.gz UGBNMYONQFYFOX-CRAIPNDOSA-N 1 0 360.414 2.214 20 5 FEBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074746 555743850 /nfs/dbraw/zinc/74/38/50/555743850.db2.gz UGBNMYONQFYFOX-MAUKXSAKSA-N 1 0 360.414 2.214 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000513866129 561952970 /nfs/dbraw/zinc/95/29/70/561952970.db2.gz NZRDOARSWQPSPF-YLFCFFPRSA-N 1 0 357.410 2.247 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000366414184 555837049 /nfs/dbraw/zinc/83/70/49/555837049.db2.gz MAVCLGLYFAWTJH-VCTAVGKDSA-N 1 0 369.368 2.197 20 5 FEBDRO Cc1cccc(NC(=O)[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000366710780 555915340 /nfs/dbraw/zinc/91/53/40/555915340.db2.gz OZYRNAOONZDOAB-DLBZAZTESA-N 1 0 370.409 2.435 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000514573264 561967290 /nfs/dbraw/zinc/96/72/90/561967290.db2.gz HCHPMNPJPNRZGV-HNNXBMFYSA-N 1 0 357.366 2.356 20 5 FEBDRO Cn1cc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000514667900 561973007 /nfs/dbraw/zinc/97/30/07/561973007.db2.gz QBHFQAMULUSWCQ-LJQANCHMSA-N 1 0 369.425 2.211 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367460841 556056433 /nfs/dbraw/zinc/05/64/33/556056433.db2.gz KMABUHPYFRDGQD-HNNXBMFYSA-N 1 0 362.474 2.346 20 5 FEBDRO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000367993457 556190334 /nfs/dbraw/zinc/19/03/34/556190334.db2.gz LOGMUMWTSIVEMI-OAHLLOKOSA-N 1 0 373.413 2.434 20 5 FEBDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368997 556289766 /nfs/dbraw/zinc/28/97/66/556289766.db2.gz GJPYICXUZZMAAF-CJNGLKHVSA-N 1 0 370.409 2.397 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000515216822 562001349 /nfs/dbraw/zinc/00/13/49/562001349.db2.gz PMPBCRTVMBUXRQ-UONOGXRCSA-N 1 0 355.460 2.277 20 5 FEBDRO CC(C)[NH+](CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000368422068 556304223 /nfs/dbraw/zinc/30/42/23/556304223.db2.gz KKBJURVVSYSCLH-HNNXBMFYSA-N 1 0 366.466 2.257 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000368594799 556356986 /nfs/dbraw/zinc/35/69/86/556356986.db2.gz XLTBHYVPQMSGHP-MEDUHNTESA-N 1 0 356.382 2.015 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000368615162 556363802 /nfs/dbraw/zinc/36/38/02/556363802.db2.gz RUXGASYMAHIHRE-YESZJQIVSA-N 1 0 364.442 2.473 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000515638154 562017839 /nfs/dbraw/zinc/01/78/39/562017839.db2.gz TXOAJNWHIVAJLY-KGLIPLIRSA-N 1 0 352.456 2.457 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369157463 556519921 /nfs/dbraw/zinc/51/99/21/556519921.db2.gz NNOWPGUFFBNNNI-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369535340 556623660 /nfs/dbraw/zinc/62/36/60/556623660.db2.gz ACTSTPZYFAFMGU-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(Oc3cnccn3)CC2)c([N+](=O)[O-])c1 ZINC000369692165 556669692 /nfs/dbraw/zinc/66/96/92/556669692.db2.gz HXQHZZDDKDDILK-UHFFFAOYSA-N 1 0 374.397 2.316 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000516341256 562040308 /nfs/dbraw/zinc/04/03/08/562040308.db2.gz QBFHTRBJNPDATC-OKILXGFUSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721389 556678022 /nfs/dbraw/zinc/67/80/22/556678022.db2.gz DQPXCONIIGYFBU-BMFZPTHFSA-N 1 0 373.457 2.450 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000370339451 556843773 /nfs/dbraw/zinc/84/37/73/556843773.db2.gz OUTNHFARMGNYFP-YHWZYXNKSA-N 1 0 371.434 2.193 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000370643193 556929138 /nfs/dbraw/zinc/92/91/38/556929138.db2.gz RPNYXQZCCFLZOV-HNNXBMFYSA-N 1 0 361.423 2.148 20 5 FEBDRO CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC1CC[NH2+]CC1 ZINC000516925353 562065224 /nfs/dbraw/zinc/06/52/24/562065224.db2.gz PBKYUJZZQJYYEP-UHFFFAOYSA-N 1 0 374.397 2.336 20 5 FEBDRO Cc1sc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370770361 556963144 /nfs/dbraw/zinc/96/31/44/556963144.db2.gz GEAUGPRHIJLPLY-OLZOCXBDSA-N 1 0 353.444 2.195 20 5 FEBDRO Cc1sc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830757 556982573 /nfs/dbraw/zinc/98/25/73/556982573.db2.gz OZVCQDKXZKRGPB-CQSZACIVSA-N 1 0 366.487 2.205 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1C ZINC000370864842 556994739 /nfs/dbraw/zinc/99/47/39/556994739.db2.gz IMFUEESNCYNXPC-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927438 557019262 /nfs/dbraw/zinc/01/92/62/557019262.db2.gz IHZULUYRBLUJQJ-QAPCUYQASA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221579 557111175 /nfs/dbraw/zinc/11/11/75/557111175.db2.gz XUSSZZASIGHLFL-PBHICJAKSA-N 1 0 360.458 2.001 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233244 557114647 /nfs/dbraw/zinc/11/46/47/557114647.db2.gz XKRSIZZAADFRPM-UONOGXRCSA-N 1 0 363.414 2.290 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371239178 557116619 /nfs/dbraw/zinc/11/66/19/557116619.db2.gz YYHMMZDWZRTUPT-PBHICJAKSA-N 1 0 369.425 2.385 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Sc2ccccn2)CC1 ZINC000371287630 557132375 /nfs/dbraw/zinc/13/23/75/557132375.db2.gz QQFVEPWBWOTMJE-UHFFFAOYSA-N 1 0 360.439 2.408 20 5 FEBDRO COc1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349440 557155559 /nfs/dbraw/zinc/15/55/59/557155559.db2.gz ISQZTNMGDGNGIC-ZFWWWQNUSA-N 1 0 366.437 2.205 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371355131 557157772 /nfs/dbraw/zinc/15/77/72/557157772.db2.gz OTMGMPSJYGSOHY-HPWWWVCSSA-N 1 0 372.469 2.092 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000517393092 562088559 /nfs/dbraw/zinc/08/85/59/562088559.db2.gz HUJQZFOBHWWGFY-LBPRGKRZSA-N 1 0 371.235 2.109 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000518017101 562102657 /nfs/dbraw/zinc/10/26/57/562102657.db2.gz WEWFZVPMNZHCQG-AWEZNQCLSA-N 1 0 362.430 2.420 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609816 562115092 /nfs/dbraw/zinc/11/50/92/562115092.db2.gz OBBIZSQRYWZGRQ-OKILXGFUSA-N 1 0 357.414 2.335 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000372105565 557381276 /nfs/dbraw/zinc/38/12/76/557381276.db2.gz NNQRVACRCIQIJH-AWEZNQCLSA-N 1 0 367.413 2.039 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000372153335 557394073 /nfs/dbraw/zinc/39/40/73/557394073.db2.gz UAAAFTUEZQXIJX-CQSZACIVSA-N 1 0 366.368 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372158194 557395125 /nfs/dbraw/zinc/39/51/25/557395125.db2.gz UAJZGXPARYXXKK-UONOGXRCSA-N 1 0 363.414 2.290 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372296551 557432317 /nfs/dbraw/zinc/43/23/17/557432317.db2.gz RJZZALRXNCJYBN-AEFFLSMTSA-N 1 0 350.415 2.226 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372591023 557514360 /nfs/dbraw/zinc/51/43/60/557514360.db2.gz RSDHRZMJHFGHAM-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1C ZINC000372791446 557563190 /nfs/dbraw/zinc/56/31/90/557563190.db2.gz ZIUFKZFZQORPIO-CVEARBPZSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372900357 557585125 /nfs/dbraw/zinc/58/51/25/557585125.db2.gz CNPGABJZHOIBEK-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000372941132 557592950 /nfs/dbraw/zinc/59/29/50/557592950.db2.gz VRLMRYXWDZHQNM-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000373063879 557619574 /nfs/dbraw/zinc/61/95/74/557619574.db2.gz RADJLKBSQAVBJU-RHSMWYFYSA-N 1 0 359.474 2.025 20 5 FEBDRO Cc1cc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000520488456 562157535 /nfs/dbraw/zinc/15/75/35/562157535.db2.gz OXKIPYIMZXMADP-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CC[NH+](C)CC1 ZINC000374253859 557851878 /nfs/dbraw/zinc/85/18/78/557851878.db2.gz KMPZOZOSXMOXPC-GFCCVEGCSA-N 1 0 354.401 2.478 20 5 FEBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000374258869 557853190 /nfs/dbraw/zinc/85/31/90/557853190.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 1 0 362.474 2.074 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374298382 557860982 /nfs/dbraw/zinc/86/09/82/557860982.db2.gz UNRHRELPUMPKIL-CRAIPNDOSA-N 1 0 360.458 2.001 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000374319344 557865030 /nfs/dbraw/zinc/86/50/30/557865030.db2.gz XQBGOMLWAGOAKR-JKSUJKDBSA-N 1 0 355.394 2.188 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374368429 557873080 /nfs/dbraw/zinc/87/30/80/557873080.db2.gz TUQFRPOQHPGVDB-WBVHZDCISA-N 1 0 350.415 2.083 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1OC ZINC000375017028 557964877 /nfs/dbraw/zinc/96/48/77/557964877.db2.gz GFHODUGVZIGKEZ-WFASDCNBSA-N 1 0 363.414 2.168 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000375062043 557972327 /nfs/dbraw/zinc/97/23/27/557972327.db2.gz RVZFWQPKNNNBOI-KXBFYZLASA-N 1 0 372.469 2.364 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000375064957 557972527 /nfs/dbraw/zinc/97/25/27/557972527.db2.gz ZTZPRTAYNISAII-RTBURBONSA-N 1 0 369.421 2.408 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000521336071 562174586 /nfs/dbraw/zinc/17/45/86/562174586.db2.gz WKGUYJLFYFTJGI-CYBMUJFWSA-N 1 0 370.837 2.463 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000375372637 558017085 /nfs/dbraw/zinc/01/70/85/558017085.db2.gz DSEMOACBOMDHOS-UHFFFAOYSA-N 1 0 374.441 2.137 20 5 FEBDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393632 558019901 /nfs/dbraw/zinc/01/99/01/558019901.db2.gz RGYISRAMHFPSEP-AEFFLSMTSA-N 1 0 374.441 2.485 20 5 FEBDRO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000375531296 558043948 /nfs/dbraw/zinc/04/39/48/558043948.db2.gz CLMQCIMUFRWLNP-QGZVFWFLSA-N 1 0 361.423 2.136 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375699155 558069456 /nfs/dbraw/zinc/06/94/56/558069456.db2.gz UXIKHBYVXRWAKS-LBPRGKRZSA-N 1 0 363.414 2.479 20 5 FEBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000375967802 558106836 /nfs/dbraw/zinc/10/68/36/558106836.db2.gz GCKKTGPWHVPQOA-INIZCTEOSA-N 1 0 351.366 2.088 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)c2ccccc2O1 ZINC000376197884 558139966 /nfs/dbraw/zinc/13/99/66/558139966.db2.gz PMHYAMQBDXGNAM-LBPRGKRZSA-N 1 0 356.382 2.146 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376450276 558174724 /nfs/dbraw/zinc/17/47/24/558174724.db2.gz PXGKDTHSFSGZLG-CQSZACIVSA-N 1 0 360.458 2.402 20 5 FEBDRO Cc1nc(CN(C)[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC000376686257 558208272 /nfs/dbraw/zinc/20/82/72/558208272.db2.gz CXBNFPOOZJHSKZ-CQSZACIVSA-N 1 0 360.418 2.481 20 5 FEBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1N)C1CCN(c2cc[nH+]cc2)CC1 ZINC000376781974 558220972 /nfs/dbraw/zinc/22/09/72/558220972.db2.gz DIWCOCIENZFQFS-UHFFFAOYSA-N 1 0 355.398 2.313 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000377652065 558387388 /nfs/dbraw/zinc/38/73/88/558387388.db2.gz SIHLHFKYVIBXGF-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO Cn1cc(-c2ncc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cn2)cn1 ZINC000377670541 558392477 /nfs/dbraw/zinc/39/24/77/558392477.db2.gz FPSNIWJLJFOYEK-UHFFFAOYSA-N 1 0 352.398 2.460 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000522474227 562199079 /nfs/dbraw/zinc/19/90/79/562199079.db2.gz LELXTAJSBUMFQP-OLZOCXBDSA-N 1 0 351.451 2.035 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@@H+]2C)cn1 ZINC000377693829 558399351 /nfs/dbraw/zinc/39/93/51/558399351.db2.gz CKWOITGVHFYSAO-GTNSWQLSSA-N 1 0 371.401 2.360 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413948 /nfs/dbraw/zinc/41/39/48/558413948.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 1 0 355.442 2.245 20 5 FEBDRO Cc1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000377959421 558452333 /nfs/dbraw/zinc/45/23/33/558452333.db2.gz QVMAXPPRTPXNNJ-UHFFFAOYSA-N 1 0 367.471 2.340 20 5 FEBDRO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246704 558511085 /nfs/dbraw/zinc/51/10/85/558511085.db2.gz ICTHVZGOWKPJDL-ZWKOTPCHSA-N 1 0 359.430 2.391 20 5 FEBDRO Cn1cc(N2CC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000378475306 558566135 /nfs/dbraw/zinc/56/61/35/558566135.db2.gz OUMXSPCCGOGSTG-LBPRGKRZSA-N 1 0 367.356 2.298 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000378570882 558585971 /nfs/dbraw/zinc/58/59/71/558585971.db2.gz TZOBTFNOIYOKGP-MRXNPFEDSA-N 1 0 365.393 2.490 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000383530639 558604917 /nfs/dbraw/zinc/60/49/17/558604917.db2.gz YWCKDJIDHQCENE-VIFPVBQESA-N 1 0 352.135 2.070 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239626 558659625 /nfs/dbraw/zinc/65/96/25/558659625.db2.gz ZTOCLZOAYMCPFZ-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000524871857 562236506 /nfs/dbraw/zinc/23/65/06/562236506.db2.gz MQJKAPPVFMKFMI-JSGCOSHPSA-N 1 0 355.460 2.397 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411132426 558842489 /nfs/dbraw/zinc/84/24/89/558842489.db2.gz JYXAQRUYBPOTKD-UONOGXRCSA-N 1 0 362.430 2.221 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000525952819 562260845 /nfs/dbraw/zinc/26/08/45/562260845.db2.gz XFPTWMCQLBARPG-UHFFFAOYSA-N 1 0 374.363 2.468 20 5 FEBDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411803127 558966458 /nfs/dbraw/zinc/96/64/58/558966458.db2.gz FAWUKAGRNKODOW-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411896581 558984218 /nfs/dbraw/zinc/98/42/18/558984218.db2.gz RZXOTBFDBRJQNQ-XLIONFOSSA-N 1 0 367.405 2.386 20 5 FEBDRO CC(C)(CN1CCOCC1)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000412001126 559001201 /nfs/dbraw/zinc/00/12/01/559001201.db2.gz YEZDWTBMGQWYHR-UHFFFAOYSA-N 1 0 374.441 2.493 20 5 FEBDRO COC(=O)[C@]1(C)CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412105121 559014258 /nfs/dbraw/zinc/01/42/58/559014258.db2.gz OPUFIDXXAOWGED-QGZVFWFLSA-N 1 0 352.387 2.257 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1F ZINC000412169205 559018048 /nfs/dbraw/zinc/01/80/48/559018048.db2.gz IATVDDRDXQVMBS-GHMZBOCLSA-N 1 0 351.378 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1F ZINC000412175325 559018498 /nfs/dbraw/zinc/01/84/98/559018498.db2.gz YWRBNSIZBKRYDJ-RYUDHWBXSA-N 1 0 353.394 2.274 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412270691 559023767 /nfs/dbraw/zinc/02/37/67/559023767.db2.gz PDBQFWVKPAXDAO-XOKHGSTOSA-N 1 0 361.442 2.002 20 5 FEBDRO CC[C@H](C(=O)N[C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000413072392 559075074 /nfs/dbraw/zinc/07/50/74/559075074.db2.gz PCRNQINELGUZEZ-LSDHHAIUSA-N 1 0 365.430 2.434 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413139422 559082244 /nfs/dbraw/zinc/08/22/44/559082244.db2.gz HVXXUXRHRLFQSK-UHFFFAOYSA-N 1 0 357.414 2.108 20 5 FEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1CC(C)(C)O ZINC000413245260 559091441 /nfs/dbraw/zinc/09/14/41/559091441.db2.gz JGOHVMXGKCHWPB-JTQLQIEISA-N 1 0 362.352 2.290 20 5 FEBDRO C[NH+]1CCC(CNc2c(Cl)cccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413473820 559110484 /nfs/dbraw/zinc/11/04/84/559110484.db2.gz AULLCKLUCGOJLG-UHFFFAOYSA-N 1 0 368.865 2.457 20 5 FEBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@H+](C)C1 ZINC000413497338 559112318 /nfs/dbraw/zinc/11/23/18/559112318.db2.gz LLDPSMKVBBHJDU-OAHLLOKOSA-N 1 0 370.409 2.198 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413826255 559133051 /nfs/dbraw/zinc/13/30/51/559133051.db2.gz YYUIWBPVUSPUCA-CYBMUJFWSA-N 1 0 367.471 2.283 20 5 FEBDRO CC(C)(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000414271325 559154703 /nfs/dbraw/zinc/15/47/03/559154703.db2.gz WUBLHNMPYMHYRR-STQMWFEESA-N 1 0 358.464 2.078 20 5 FEBDRO CC(C)(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)S(C)(=O)=O ZINC000414271313 559154808 /nfs/dbraw/zinc/15/48/08/559154808.db2.gz WUBLHNMPYMHYRR-CHWSQXEVSA-N 1 0 358.464 2.078 20 5 FEBDRO CCOc1cc(NC(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414756293 559185436 /nfs/dbraw/zinc/18/54/36/559185436.db2.gz JLEFFNKQHUBRDU-LLVKDONJSA-N 1 0 352.391 2.266 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000414945416 559196475 /nfs/dbraw/zinc/19/64/75/559196475.db2.gz IGULZXZQYQULLF-VHSXEESVSA-N 1 0 356.329 2.269 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595716 559253923 /nfs/dbraw/zinc/25/39/23/559253923.db2.gz HQCSKPJWGYBYGM-SMDDNHRTSA-N 1 0 364.402 2.423 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415709273 559264066 /nfs/dbraw/zinc/26/40/66/559264066.db2.gz YEVZTVIDKWGLIV-PRHODGIISA-N 1 0 357.208 2.477 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416405508 559310461 /nfs/dbraw/zinc/31/04/61/559310461.db2.gz BXTXNIUKNXTFBC-VIFPVBQESA-N 1 0 369.365 2.232 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409007 559310786 /nfs/dbraw/zinc/31/07/86/559310786.db2.gz TVJMLSKDQGJGHW-KBPBESRZSA-N 1 0 355.460 2.172 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417774021 559375928 /nfs/dbraw/zinc/37/59/28/559375928.db2.gz YDGHIQYUQQUKQV-DLBZAZTESA-N 1 0 354.410 2.192 20 5 FEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096875 559390017 /nfs/dbraw/zinc/39/00/17/559390017.db2.gz XRDHEMGYTJOAKU-ONGXEEELSA-N 1 0 360.336 2.492 20 5 FEBDRO CC[NH2+][C@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418602264 559407568 /nfs/dbraw/zinc/40/75/68/559407568.db2.gz MTEXCDVDRLRSAR-CYBMUJFWSA-N 1 0 350.419 2.146 20 5 FEBDRO CC(C)(C)[C@H](C[NH3+])NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000420368053 559483583 /nfs/dbraw/zinc/48/35/83/559483583.db2.gz TXCJCBPONALBKD-LBPRGKRZSA-N 1 0 373.251 2.259 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420377598 559483827 /nfs/dbraw/zinc/48/38/27/559483827.db2.gz PURPPACJXAOGHD-FZKQIMNGSA-N 1 0 362.430 2.006 20 5 FEBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420384518 559484343 /nfs/dbraw/zinc/48/43/43/559484343.db2.gz TZVUDCPPTOOWAU-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO CC[C@@H](C)CNc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000420657143 559495783 /nfs/dbraw/zinc/49/57/83/559495783.db2.gz WEWQREUUTWVDCN-CYBMUJFWSA-N 1 0 372.491 2.283 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421006719 559519215 /nfs/dbraw/zinc/51/92/15/559519215.db2.gz BPIWESHZQZHISL-KBPBESRZSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000421476627 559543288 /nfs/dbraw/zinc/54/32/88/559543288.db2.gz NTNAXKAJMZKZFF-UHFFFAOYSA-N 1 0 361.442 2.396 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1 ZINC000421498172 559543761 /nfs/dbraw/zinc/54/37/61/559543761.db2.gz SLAFRCMGIOJVIT-UHFFFAOYSA-N 1 0 358.398 2.187 20 5 FEBDRO COCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423409538 559628043 /nfs/dbraw/zinc/62/80/43/559628043.db2.gz QIEUGQZTUCOFDU-QGZVFWFLSA-N 1 0 373.457 2.024 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000423450539 559629551 /nfs/dbraw/zinc/62/95/51/559629551.db2.gz DXRIHIHMVXPNQI-GFCCVEGCSA-N 1 0 354.204 2.324 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000423580042 559632983 /nfs/dbraw/zinc/63/29/83/559632983.db2.gz QNERKFYIHVDLPT-ZDUSSCGKSA-N 1 0 361.427 2.164 20 5 FEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000423610700 559633797 /nfs/dbraw/zinc/63/37/97/559633797.db2.gz MYXLZPCJCHNACT-HNNXBMFYSA-N 1 0 357.414 2.160 20 5 FEBDRO CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836445 559641997 /nfs/dbraw/zinc/64/19/97/559641997.db2.gz FUKIFTVZPJAOJX-XJKSGUPXSA-N 1 0 355.822 2.397 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2c(F)cccc2c3=O)C[C@H]1[NH3+] ZINC000423970163 559648423 /nfs/dbraw/zinc/64/84/23/559648423.db2.gz FRGZDLNKQKRANU-BJOHPYRUSA-N 1 0 357.360 2.379 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000423982048 559649001 /nfs/dbraw/zinc/64/90/01/559649001.db2.gz REORATCZQBGXJU-MRXNPFEDSA-N 1 0 359.430 2.177 20 5 FEBDRO [NH3+]C1(c2noc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424344559 559661750 /nfs/dbraw/zinc/66/17/50/559661750.db2.gz LWUBCQYTDXJBBU-UHFFFAOYSA-N 1 0 374.401 2.095 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425286680 559694758 /nfs/dbraw/zinc/69/47/58/559694758.db2.gz QSAWPJROXJJSMH-WMLDXEAASA-N 1 0 369.425 2.090 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466536 559703691 /nfs/dbraw/zinc/70/36/91/559703691.db2.gz BEGDHFNTIPNEDS-VXGBXAGGSA-N 1 0 356.220 2.362 20 5 FEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000427958212 559766276 /nfs/dbraw/zinc/76/62/76/559766276.db2.gz MQBVLNRTPBJDAH-SECBINFHSA-N 1 0 369.365 2.409 20 5 FEBDRO COc1cc(C(=O)NCC2([NH3+])CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000428552424 559778057 /nfs/dbraw/zinc/77/80/57/559778057.db2.gz VFAQZUYHPCTZRV-UHFFFAOYSA-N 1 0 351.403 2.394 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018051 559788721 /nfs/dbraw/zinc/78/87/21/559788721.db2.gz HJLRYJNQJDXQBA-IIDMSEBBSA-N 1 0 372.469 2.146 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000429134383 559791576 /nfs/dbraw/zinc/79/15/76/559791576.db2.gz QNOHGHJSKNBARF-CABZTGNLSA-N 1 0 361.320 2.345 20 5 FEBDRO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000429389408 559797530 /nfs/dbraw/zinc/79/75/30/559797530.db2.gz YFDFVIQUQBKWMM-OAHLLOKOSA-N 1 0 372.469 2.290 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000429502222 559800059 /nfs/dbraw/zinc/80/00/59/559800059.db2.gz HJNPBLDXXYDBKR-CYBMUJFWSA-N 1 0 370.409 2.051 20 5 FEBDRO Cc1ccn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c1[N+](=O)[O-] ZINC000430146972 559814160 /nfs/dbraw/zinc/81/41/60/559814160.db2.gz KIIXCNPFVGHGPE-KRWDZBQOSA-N 1 0 357.410 2.356 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431026510 559832787 /nfs/dbraw/zinc/83/27/87/559832787.db2.gz FOVVVFBGPKNDHZ-ZDUSSCGKSA-N 1 0 362.430 2.006 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432866120 559866551 /nfs/dbraw/zinc/86/65/51/559866551.db2.gz NIHYZTJUFKHVPV-ZDUSSCGKSA-N 1 0 351.403 2.294 20 5 FEBDRO Cn1c(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000435406648 559922252 /nfs/dbraw/zinc/92/22/52/559922252.db2.gz FCYXJMPMZUQECQ-OAHLLOKOSA-N 1 0 357.414 2.113 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000435432754 559922846 /nfs/dbraw/zinc/92/28/46/559922846.db2.gz KJFNCFBIYPRKOT-CQSZACIVSA-N 1 0 355.460 2.308 20 5 FEBDRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000437879861 559970960 /nfs/dbraw/zinc/97/09/60/559970960.db2.gz VMPSTTZJVZVBMZ-OAHLLOKOSA-N 1 0 363.462 2.440 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438946303 559985987 /nfs/dbraw/zinc/98/59/87/559985987.db2.gz HLBBKMJMDNSPKY-LBPRGKRZSA-N 1 0 361.489 2.445 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440440369 560011111 /nfs/dbraw/zinc/01/11/11/560011111.db2.gz FUTNUAHUKJOTQS-LLVKDONJSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1C ZINC000445067364 560127816 /nfs/dbraw/zinc/12/78/16/560127816.db2.gz SYYJYKUISIBYIN-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448826238 560201020 /nfs/dbraw/zinc/20/10/20/560201020.db2.gz ZCDKDUHKKQLZDR-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000448936947 560207713 /nfs/dbraw/zinc/20/77/13/560207713.db2.gz OJRFVZWSCYIQRX-MRXNPFEDSA-N 1 0 369.425 2.481 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000449096541 560215621 /nfs/dbraw/zinc/21/56/21/560215621.db2.gz INOBUFFCSQIECV-UKRRQHHQSA-N 1 0 374.393 2.284 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000449190998 560219561 /nfs/dbraw/zinc/21/95/61/560219561.db2.gz RUYCAMMBDNBLGL-CYBMUJFWSA-N 1 0 367.471 2.072 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000449711965 560237881 /nfs/dbraw/zinc/23/78/81/560237881.db2.gz PUNJLRVTESNPOP-RDJZCZTQSA-N 1 0 371.441 2.314 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](O)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449739924 560238596 /nfs/dbraw/zinc/23/85/96/560238596.db2.gz MPZUHNJEWQGTMB-ZDUSSCGKSA-N 1 0 360.357 2.498 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CCN(CC[NH+](C)C)CC1 ZINC000450252528 560255758 /nfs/dbraw/zinc/25/57/58/560255758.db2.gz ZDFIVVGEJWQJIY-UHFFFAOYSA-N 1 0 373.457 2.011 20 5 FEBDRO Cc1nc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450255066 560255927 /nfs/dbraw/zinc/25/59/27/560255927.db2.gz XWIPJKJLEYRNPL-KBPBESRZSA-N 1 0 371.441 2.915 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450316855 560258247 /nfs/dbraw/zinc/25/82/47/560258247.db2.gz ICRRARPMOMEODB-CYBMUJFWSA-N 1 0 361.471 2.766 20 5 FEBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602019 560267614 /nfs/dbraw/zinc/26/76/14/560267614.db2.gz ZLZYLNRAHXWFCT-AWEZNQCLSA-N 1 0 351.403 2.030 20 5 FEBDRO Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450798933 560273697 /nfs/dbraw/zinc/27/36/97/560273697.db2.gz ZSMWVKAUPZZONH-GASCZTMLSA-N 1 0 371.441 2.252 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCC(O)CC2)nc1-c1ccc(F)cc1 ZINC000450874628 560276523 /nfs/dbraw/zinc/27/65/23/560276523.db2.gz UQBYXBSDISEXHV-UHFFFAOYSA-N 1 0 360.389 2.665 20 5 FEBDRO C[C@@]12C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357497 560302491 /nfs/dbraw/zinc/30/24/91/560302491.db2.gz AOKBEFMYVILEKN-UXVJVKIESA-N 1 0 371.393 2.406 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451558282 560314511 /nfs/dbraw/zinc/31/45/11/560314511.db2.gz FTSWKENTORRKCG-SWLSCSKDSA-N 1 0 351.403 2.289 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571841 560315503 /nfs/dbraw/zinc/31/55/03/560315503.db2.gz QFSXCHYUAOTZNV-WBMJQRKESA-N 1 0 351.403 2.289 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691012 560322264 /nfs/dbraw/zinc/32/22/64/560322264.db2.gz BCXXHBPCWHAJGF-IDCJVQTKSA-N 1 0 359.426 2.183 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902928 560335952 /nfs/dbraw/zinc/33/59/52/560335952.db2.gz IOECPUIPBIQTDV-IINYFYTJSA-N 1 0 364.320 2.227 20 5 FEBDRO COC[C@]1(CO)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451934162 560338902 /nfs/dbraw/zinc/33/89/02/560338902.db2.gz QYXFFGHETVYFBW-GOSISDBHSA-N 1 0 361.398 2.123 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000452085624 560350135 /nfs/dbraw/zinc/35/01/35/560350135.db2.gz KOEYPVQKMFOMGY-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452136833 560353526 /nfs/dbraw/zinc/35/35/26/560353526.db2.gz YVJHRKOBLMFXLY-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+](C2CC2)C1 ZINC000452169361 560354555 /nfs/dbraw/zinc/35/45/55/560354555.db2.gz HRTSTDHIIPMDHG-AWEZNQCLSA-N 1 0 369.425 2.337 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453257997 560384752 /nfs/dbraw/zinc/38/47/52/560384752.db2.gz HLAZRFJHONBKCV-GDBMZVCRSA-N 1 0 351.447 2.491 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000453417746 560386244 /nfs/dbraw/zinc/38/62/44/560386244.db2.gz CIJISGIQASYKGW-WQVCFCJDSA-N 1 0 360.414 2.055 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455378926 560480126 /nfs/dbraw/zinc/48/01/26/560480126.db2.gz RLJRSNOMELIGHS-UHFFFAOYSA-N 1 0 373.417 2.137 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455465313 560483387 /nfs/dbraw/zinc/48/33/87/560483387.db2.gz OTDVMDJUMJENLP-HNNXBMFYSA-N 1 0 350.419 2.126 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455993900 560503876 /nfs/dbraw/zinc/50/38/76/560503876.db2.gz LWXWEYSFSHPVFL-ZDUSSCGKSA-N 1 0 357.414 2.282 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000456910005 560537353 /nfs/dbraw/zinc/53/73/53/560537353.db2.gz ZRXYEAPMGNDSCF-UHFFFAOYSA-N 1 0 374.441 2.487 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000457388228 560564853 /nfs/dbraw/zinc/56/48/53/560564853.db2.gz YZQHTGLSEKMNFW-QWRGUYRKSA-N 1 0 355.847 2.408 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000458685281 560640560 /nfs/dbraw/zinc/64/05/60/560640560.db2.gz FKBCHQGELBBLIL-INIZCTEOSA-N 1 0 364.446 2.062 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707677 560642391 /nfs/dbraw/zinc/64/23/91/560642391.db2.gz QISWHGBDNZJIQW-LBPRGKRZSA-N 1 0 360.418 2.002 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459758249 560706436 /nfs/dbraw/zinc/70/64/36/560706436.db2.gz LLVLGTDWCXAWBI-HOTGVXAUSA-N 1 0 363.414 2.479 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781742 560708089 /nfs/dbraw/zinc/70/80/89/560708089.db2.gz MHXAQINMLACWMM-HOTGVXAUSA-N 1 0 364.398 2.194 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)C1CCOCC1 ZINC000461115515 560762016 /nfs/dbraw/zinc/76/20/16/560762016.db2.gz WCQHUTUYPRQFAA-SUMWQHHRSA-N 1 0 365.430 2.079 20 5 FEBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457471 560772282 /nfs/dbraw/zinc/77/22/82/560772282.db2.gz TZHHNAZGOFPYST-CVEARBPZSA-N 1 0 369.425 2.220 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000461541173 560775073 /nfs/dbraw/zinc/77/50/73/560775073.db2.gz DAOPAKMCNHNTNT-ZDUSSCGKSA-N 1 0 360.418 2.026 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000467692586 560915013 /nfs/dbraw/zinc/91/50/13/560915013.db2.gz UFVKASSTOJLVEU-TZMCWYRMSA-N 1 0 356.382 2.088 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000468471889 560930850 /nfs/dbraw/zinc/93/08/50/560930850.db2.gz WDWQZPQBIZINAZ-HNNXBMFYSA-N 1 0 365.430 2.462 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468476289 560930946 /nfs/dbraw/zinc/93/09/46/560930946.db2.gz SDQYBVVRCQTHSY-MRXNPFEDSA-N 1 0 363.414 2.216 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000468740294 560937570 /nfs/dbraw/zinc/93/75/70/560937570.db2.gz VWKFDIQYSAQKKD-AHIVSBDTSA-N 1 0 367.471 2.306 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469949091 560969626 /nfs/dbraw/zinc/96/96/26/560969626.db2.gz AKQXLCMWNDBRME-GOSISDBHSA-N 1 0 361.442 2.241 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000470126069 560974790 /nfs/dbraw/zinc/97/47/90/560974790.db2.gz XVCYOWVQKQLITK-CQSZACIVSA-N 1 0 354.382 2.308 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000470178058 560976122 /nfs/dbraw/zinc/97/61/22/560976122.db2.gz WLJKSQWIUDQFTN-QHSLDKKCSA-N 1 0 372.425 2.308 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000472631374 561031495 /nfs/dbraw/zinc/03/14/95/561031495.db2.gz MRFJPHRBAOYICI-OCESRQBRSA-N 1 0 353.444 2.058 20 5 FEBDRO COC(=O)COc1ccc(CNc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000473477843 561050756 /nfs/dbraw/zinc/05/07/56/561050756.db2.gz BBEYMJYMFNMYAK-UHFFFAOYSA-N 1 0 374.397 2.215 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000474354560 561071990 /nfs/dbraw/zinc/07/19/90/561071990.db2.gz WJDUGKXKGCIIPA-CQSZACIVSA-N 1 0 364.398 2.338 20 5 FEBDRO COC(=O)COc1ccc(CN(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000475130417 561091174 /nfs/dbraw/zinc/09/11/74/561091174.db2.gz PRZACYSMKOTVAD-UHFFFAOYSA-N 1 0 365.430 2.063 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000476600887 561123941 /nfs/dbraw/zinc/12/39/41/561123941.db2.gz OVEQNYGZVSRYJG-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@@H+]1Cc1ccccc1 ZINC000476648708 561125160 /nfs/dbraw/zinc/12/51/60/561125160.db2.gz OMWMJGNOEXYKNK-HOCLYGCPSA-N 1 0 371.441 2.359 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000477021443 561134448 /nfs/dbraw/zinc/13/44/48/561134448.db2.gz AIAANPGTIMVSSS-ZBFHGGJFSA-N 1 0 371.441 2.453 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477065083 561135742 /nfs/dbraw/zinc/13/57/42/561135742.db2.gz KZQQBXIBVLBHDP-LJQANCHMSA-N 1 0 359.426 2.377 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(Cl)cc1 ZINC000530602885 562417350 /nfs/dbraw/zinc/41/73/50/562417350.db2.gz UIHPBVJJLFYQOL-AWEZNQCLSA-N 1 0 364.789 2.382 20 5 FEBDRO COc1ccc(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000531304035 562441455 /nfs/dbraw/zinc/44/14/55/562441455.db2.gz IVQRJZPJRJYKKE-MRXNPFEDSA-N 1 0 361.442 2.336 20 5 FEBDRO CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[NH+](C)C ZINC000531655348 562453062 /nfs/dbraw/zinc/45/30/62/562453062.db2.gz FSGUWQZCTGKBCM-ZDUSSCGKSA-N 1 0 372.491 2.233 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000531768992 562456095 /nfs/dbraw/zinc/45/60/95/562456095.db2.gz COXQJSAGBADKAY-UONOGXRCSA-N 1 0 361.398 2.346 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000532574701 562482160 /nfs/dbraw/zinc/48/21/60/562482160.db2.gz IDSAWFIQHPOIFY-ZDUSSCGKSA-N 1 0 352.822 2.355 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000532982622 562494726 /nfs/dbraw/zinc/49/47/26/562494726.db2.gz YDSVAXCQXBPIIM-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000533303640 562504598 /nfs/dbraw/zinc/50/45/98/562504598.db2.gz KEXIZQBQIXRKDS-OAHLLOKOSA-N 1 0 362.430 2.101 20 5 FEBDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000535583482 562562074 /nfs/dbraw/zinc/56/20/74/562562074.db2.gz XHRKRJKYHXEBNL-AWEZNQCLSA-N 1 0 365.430 2.200 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000537034827 562584324 /nfs/dbraw/zinc/58/43/24/562584324.db2.gz ANCGYDJHKGJGDQ-ZDUSSCGKSA-N 1 0 358.398 2.217 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000540827188 562594022 /nfs/dbraw/zinc/59/40/22/562594022.db2.gz IGQYXEZEEBAIKY-INIZCTEOSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000541649619 562617156 /nfs/dbraw/zinc/61/71/56/562617156.db2.gz MJAQCWYOTLHRKR-QWHCGFSZSA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000568989751 568260336 /nfs/dbraw/zinc/26/03/36/568260336.db2.gz ASHFOBKIQUGFDC-QGZVFWFLSA-N 1 0 367.471 2.343 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C ZINC000569000839 568266120 /nfs/dbraw/zinc/26/61/20/568266120.db2.gz NUQSXOBCDODRLM-UONOGXRCSA-N 1 0 366.437 2.489 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cn1 ZINC000604511315 568306341 /nfs/dbraw/zinc/30/63/41/568306341.db2.gz UZLRLOFRYVMQPN-UHFFFAOYSA-N 1 0 358.402 2.180 20 5 FEBDRO CN(C)c1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000569837689 568420975 /nfs/dbraw/zinc/42/09/75/568420975.db2.gz UDJMLEOFNGQZRP-UHFFFAOYSA-N 1 0 363.439 2.224 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570240378 568465324 /nfs/dbraw/zinc/46/53/24/568465324.db2.gz PHGVGEWRSAUDQB-ZDUSSCGKSA-N 1 0 359.430 2.260 20 5 FEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000584716730 568572213 /nfs/dbraw/zinc/57/22/13/568572213.db2.gz MMKCTMATEDLMDQ-ZIAGYGMSSA-N 1 0 362.430 2.303 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924217 674428198 /nfs/dbraw/zinc/42/81/98/674428198.db2.gz IGUKKIWPVIXSLG-ZIAGYGMSSA-N 1 0 355.460 2.368 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000809970737 674522620 /nfs/dbraw/zinc/52/26/20/674522620.db2.gz KGZVRSJYRIDSRT-KRWDZBQOSA-N 1 0 352.410 2.335 20 5 FEBDRO O=[N+]([O-])c1cnc(NC2CCC([NH+]3CCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823650922 606200910 /nfs/dbraw/zinc/20/09/10/606200910.db2.gz DIPAEFLBIXFRFQ-UHFFFAOYSA-N 1 0 372.433 2.379 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000559292187 674536279 /nfs/dbraw/zinc/53/62/79/674536279.db2.gz MVCWQJPKBJOABJ-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821060399 606699071 /nfs/dbraw/zinc/69/90/71/606699071.db2.gz DJALKFMOOVBVBA-UHFFFAOYSA-N 1 0 374.449 2.118 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000559603659 674549304 /nfs/dbraw/zinc/54/93/04/674549304.db2.gz QETDEIBDXMUSHP-ZDUSSCGKSA-N 1 0 350.346 2.272 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824563158 608482746 /nfs/dbraw/zinc/48/27/46/608482746.db2.gz MPFNVHRDSCLNCB-NSHDSACASA-N 1 0 367.369 2.064 20 5 FEBDRO CS(=O)(=O)CC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000559786497 674555916 /nfs/dbraw/zinc/55/59/16/674555916.db2.gz XPHWJKPPJIGVJX-UHFFFAOYSA-N 1 0 356.444 2.167 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000563436432 674887941 /nfs/dbraw/zinc/88/79/41/674887941.db2.gz KVTONXDEWDXVMK-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067393826 670457244 /nfs/dbraw/zinc/45/72/44/670457244.db2.gz WXMXTIKJQYXDIJ-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000092992947 670747052 /nfs/dbraw/zinc/74/70/52/670747052.db2.gz KLAPRCVSOPPMMW-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1c(C(=O)NCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000101522343 670767242 /nfs/dbraw/zinc/76/72/42/670767242.db2.gz UTPRFYTWSGCCHZ-UHFFFAOYSA-N 1 0 350.375 2.191 20 5 FEBDRO CCOc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000572511268 671011441 /nfs/dbraw/zinc/01/14/41/671011441.db2.gz HZUXVZUORMLELH-YPMHNXCESA-N 1 0 351.403 2.344 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000573000509 671069666 /nfs/dbraw/zinc/06/96/66/671069666.db2.gz FWPACSLMJGDDRX-MRXNPFEDSA-N 1 0 361.423 2.150 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000817960241 675188087 /nfs/dbraw/zinc/18/80/87/675188087.db2.gz KWPIBZKGLQACHL-CQSZACIVSA-N 1 0 363.805 2.299 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000817863804 675183666 /nfs/dbraw/zinc/18/36/66/675183666.db2.gz RBDYQIYQLNENNU-JLLWLGSASA-N 1 0 359.423 2.036 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818009578 675190377 /nfs/dbraw/zinc/19/03/77/675190377.db2.gz WHEDKQAKIVIZOV-CABZTGNLSA-N 1 0 350.375 2.177 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000576958120 671407277 /nfs/dbraw/zinc/40/72/77/671407277.db2.gz ZCCUSDVJMUMLEN-UHFFFAOYSA-N 1 0 352.420 2.041 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000608811914 675904270 /nfs/dbraw/zinc/90/42/70/675904270.db2.gz WOCUOCORKRHYNW-CYBMUJFWSA-N 1 0 351.432 2.007 20 5 FEBDRO Nc1nc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000609074378 675910112 /nfs/dbraw/zinc/91/01/12/675910112.db2.gz IAZVCVOFILZOMR-CYBMUJFWSA-N 1 0 362.821 2.291 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1OC ZINC000578231671 671650480 /nfs/dbraw/zinc/65/04/80/671650480.db2.gz YKYPNQMKKWFGFL-KRWDZBQOSA-N 1 0 353.419 2.495 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000579704157 671754643 /nfs/dbraw/zinc/75/46/43/671754643.db2.gz WXVQWHAESLWDGS-HNNXBMFYSA-N 1 0 369.487 2.079 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000580773899 671832077 /nfs/dbraw/zinc/83/20/77/671832077.db2.gz MQOWHVGHXBULHA-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000580890584 671843963 /nfs/dbraw/zinc/84/39/63/671843963.db2.gz NKAGTBDBYGHCKB-BBRMVZONSA-N 1 0 367.471 2.405 20 5 FEBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000581943207 671952269 /nfs/dbraw/zinc/95/22/69/671952269.db2.gz UNVUPWPNSLRILL-QMMMGPOBSA-N 1 0 368.242 2.261 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CCCCC1 ZINC000610275547 675964220 /nfs/dbraw/zinc/96/42/20/675964220.db2.gz ZHPWOTTYZGHAMP-HNNXBMFYSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000582840211 672038778 /nfs/dbraw/zinc/03/87/78/672038778.db2.gz ODVVJIJFWDOMBU-FTGAXOIBSA-N 1 0 370.247 2.403 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000583079445 672061481 /nfs/dbraw/zinc/06/14/81/672061481.db2.gz UPJXUTIBIKIFJV-OAHLLOKOSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000129572294 672063888 /nfs/dbraw/zinc/06/38/88/672063888.db2.gz GLVBIDIEXDZEDA-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO CCc1nn(C)c(NC[C@@H](C(CC)CC)N2CCOCC2)c1[N+](=O)[O-] ZINC000583654986 672114378 /nfs/dbraw/zinc/11/43/78/672114378.db2.gz IHBIDXDQIVLJFH-HNNXBMFYSA-N 1 0 353.467 2.440 20 5 FEBDRO CCc1nn(C)c(NC[C@H](C(CC)CC)N2CCOCC2)c1[N+](=O)[O-] ZINC000583654987 672114396 /nfs/dbraw/zinc/11/43/96/672114396.db2.gz IHBIDXDQIVLJFH-OAHLLOKOSA-N 1 0 353.467 2.440 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000583809446 672128414 /nfs/dbraw/zinc/12/84/14/672128414.db2.gz QWYVUQGAWVAHPU-OAHLLOKOSA-N 1 0 367.471 2.406 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000584309672 672175653 /nfs/dbraw/zinc/17/56/53/672175653.db2.gz SBWFFQGYRLXQMR-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c[nH]nc3[N+](=O)[O-])C2)s1 ZINC000584355576 672179956 /nfs/dbraw/zinc/17/99/56/672179956.db2.gz CBODTCBOCSDTNV-GFCCVEGCSA-N 1 0 363.443 2.282 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171933478 672337595 /nfs/dbraw/zinc/33/75/95/672337595.db2.gz LBEQNYWXHRSVOX-QGZVFWFLSA-N 1 0 350.438 2.336 20 5 FEBDRO COC(=O)C[C@H]1CCCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179147392 672399163 /nfs/dbraw/zinc/39/91/63/672399163.db2.gz JPWWTIGBHGNNBY-LLVKDONJSA-N 1 0 355.778 2.214 20 5 FEBDRO O=C(N[C@@H]1CCc2cncn2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000587036300 672439821 /nfs/dbraw/zinc/43/98/21/672439821.db2.gz UPDGTJWJNSNPFG-SNVBAGLBSA-N 1 0 365.187 2.299 20 5 FEBDRO C[C@@H](CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000589191078 672512558 /nfs/dbraw/zinc/51/25/58/672512558.db2.gz IBSNJIZILGKATR-LBPRGKRZSA-N 1 0 357.476 2.446 20 5 FEBDRO Cn1nnnc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611314556 676031867 /nfs/dbraw/zinc/03/18/67/676031867.db2.gz GNKWZPRUSOWNAS-UHFFFAOYSA-N 1 0 362.777 2.364 20 5 FEBDRO C[C@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000611336046 676032935 /nfs/dbraw/zinc/03/29/35/676032935.db2.gz WNHOYGCDPHHCCV-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC(C)([NH3+])CC2)c(C)c([N+](=O)[O-])c1 ZINC000591301829 672667165 /nfs/dbraw/zinc/66/71/65/672667165.db2.gz KEFFNISXQRQLKF-UHFFFAOYSA-N 1 0 350.375 2.035 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000591667250 672699096 /nfs/dbraw/zinc/69/90/96/672699096.db2.gz HPESIOZBPHBKFU-AWEZNQCLSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[C@H]1CCCCN1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740880 672707083 /nfs/dbraw/zinc/70/70/83/672707083.db2.gz BRLKKXPBRYROOK-RDJZCZTQSA-N 1 0 351.447 2.189 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CCO2 ZINC000591993459 672730832 /nfs/dbraw/zinc/73/08/32/672730832.db2.gz WPEHYCWRDCROAO-UHFFFAOYSA-N 1 0 357.357 2.497 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H]1SC ZINC000592167350 672766494 /nfs/dbraw/zinc/76/64/94/672766494.db2.gz OEDRKAFHVBLZOG-XPKDYRNWSA-N 1 0 369.443 2.041 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000592309092 672784730 /nfs/dbraw/zinc/78/47/30/672784730.db2.gz PGNRHMYHHFYHAS-LBPRGKRZSA-N 1 0 363.395 2.418 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C2CCC(F)(F)CC2)c1 ZINC000592363306 672792219 /nfs/dbraw/zinc/79/22/19/672792219.db2.gz WIJNZRPIJIYQLJ-UHFFFAOYSA-N 1 0 363.386 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592391176 672796691 /nfs/dbraw/zinc/79/66/91/672796691.db2.gz ZDWMDDPWWRVUID-HZPDHXFCSA-N 1 0 367.471 2.136 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390581 672796721 /nfs/dbraw/zinc/79/67/21/672796721.db2.gz KPULIPKEFAKRAF-LSDHHAIUSA-N 1 0 367.471 2.304 20 5 FEBDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262119066 672909351 /nfs/dbraw/zinc/90/93/51/672909351.db2.gz WDELHRAIHLLQEQ-CQSZACIVSA-N 1 0 356.220 2.097 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000593730721 672984393 /nfs/dbraw/zinc/98/43/93/672984393.db2.gz YTBDXZIXQXQMPB-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000593730729 672984415 /nfs/dbraw/zinc/98/44/15/672984415.db2.gz ZARTYOBNDLBXSZ-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000593919410 673008202 /nfs/dbraw/zinc/00/82/02/673008202.db2.gz QIMSGOCBWDQQTG-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1SC ZINC000594102635 673031528 /nfs/dbraw/zinc/03/15/28/673031528.db2.gz NTJPSEFGXWECHD-PHIMTYICSA-N 1 0 353.444 2.395 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000594575078 673101039 /nfs/dbraw/zinc/10/10/39/673101039.db2.gz OCYHFZKYZPBFPI-OAHLLOKOSA-N 1 0 368.455 2.450 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749833 673128596 /nfs/dbraw/zinc/12/85/96/673128596.db2.gz AWBWYHRCZMMSEG-MJBXVCDLSA-N 1 0 368.459 2.016 20 5 FEBDRO O=C(CN1CC[C@H]([NH+]2CCCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000727158960 673158579 /nfs/dbraw/zinc/15/85/79/673158579.db2.gz CLKMZXCYULOZSF-ZDUSSCGKSA-N 1 0 352.822 2.357 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000595077988 673191117 /nfs/dbraw/zinc/19/11/17/673191117.db2.gz MOBGFMAUHJUUPV-AEFFLSMTSA-N 1 0 350.415 2.075 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595113464 673195341 /nfs/dbraw/zinc/19/53/41/673195341.db2.gz OAEHNVYVWSDLKE-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595114286 673195561 /nfs/dbraw/zinc/19/55/61/673195561.db2.gz VEQIWNVPNDVTES-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595116303 673196206 /nfs/dbraw/zinc/19/62/06/673196206.db2.gz OOZNVENYWAJIAP-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595116342 673196248 /nfs/dbraw/zinc/19/62/48/673196248.db2.gz PYNLKWRNEXXWIO-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595121309 673197408 /nfs/dbraw/zinc/19/74/08/673197408.db2.gz VVLSKWMZXHUXHI-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595413126 673246395 /nfs/dbraw/zinc/24/63/95/673246395.db2.gz XJXWYGKAWVSUNM-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000595412745 673246447 /nfs/dbraw/zinc/24/64/47/673246447.db2.gz UKLMFQXTMHQGMO-UHFFFAOYSA-N 1 0 367.471 2.136 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000595481301 673256201 /nfs/dbraw/zinc/25/62/01/673256201.db2.gz FJGWLHWLEBUAMJ-KBPBESRZSA-N 1 0 363.336 2.379 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786485 673290751 /nfs/dbraw/zinc/29/07/51/673290751.db2.gz QKDLRIPDNWFOQA-RYUDHWBXSA-N 1 0 350.375 2.496 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)CC(C)C ZINC000596069917 673355914 /nfs/dbraw/zinc/35/59/14/673355914.db2.gz JWODLIULAOUARC-CQSZACIVSA-N 1 0 372.491 2.411 20 5 FEBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000596071484 673356032 /nfs/dbraw/zinc/35/60/32/673356032.db2.gz NSQQLHGJAOPAIW-CQSZACIVSA-N 1 0 358.464 2.021 20 5 FEBDRO COc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596128024 673361730 /nfs/dbraw/zinc/36/17/30/673361730.db2.gz FPJXIRIPSZYWRY-ZDUSSCGKSA-N 1 0 368.865 2.473 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596234005 673370524 /nfs/dbraw/zinc/37/05/24/673370524.db2.gz LEKSCMKKWOQJFA-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596639609 673399796 /nfs/dbraw/zinc/39/97/96/673399796.db2.gz XGFHDLDBKXGHCB-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1C[C@H](C)OC[C@H]1C ZINC000596787707 673412844 /nfs/dbraw/zinc/41/28/44/673412844.db2.gz KBAVWSFGTRGZOC-OLZOCXBDSA-N 1 0 350.419 2.442 20 5 FEBDRO CCOC(=O)c1cc(N2C[C@H](SC)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000538095873 673421465 /nfs/dbraw/zinc/42/14/65/673421465.db2.gz GRYJJRSDBKPQJJ-GJZGRUSLSA-N 1 0 353.444 2.253 20 5 FEBDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073652 673472590 /nfs/dbraw/zinc/47/25/90/673472590.db2.gz VYQJWDUSRUWMTL-KGLIPLIRSA-N 1 0 355.460 2.287 20 5 FEBDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000539479465 673492420 /nfs/dbraw/zinc/49/24/20/673492420.db2.gz ICFPMYUMJXLIIC-APHBMKBZSA-N 1 0 366.487 2.208 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989875 673527454 /nfs/dbraw/zinc/52/74/54/673527454.db2.gz LKEOZIUPBWWCJV-UHFFFAOYSA-N 1 0 350.463 2.133 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000598540771 673580750 /nfs/dbraw/zinc/58/07/50/673580750.db2.gz GCNLCXOWAXTQHO-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CC[NH+](CC)CC1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598591173 673587227 /nfs/dbraw/zinc/58/72/27/673587227.db2.gz UXUOJCIAVJZBDG-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598611956 673590492 /nfs/dbraw/zinc/59/04/92/673590492.db2.gz WSFLJBZUQHIGSK-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599125642 673634897 /nfs/dbraw/zinc/63/48/97/673634897.db2.gz IIBMLUQVFIWELI-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO C[C@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000543400936 673645250 /nfs/dbraw/zinc/64/52/50/673645250.db2.gz PXDTXEUQZXDBFY-SNVBAGLBSA-N 1 0 369.365 2.194 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599344238 673661949 /nfs/dbraw/zinc/66/19/49/673661949.db2.gz AWTLOKZAFAAYTG-UHFFFAOYSA-N 1 0 374.235 2.008 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000599416907 673673042 /nfs/dbraw/zinc/67/30/42/673673042.db2.gz YNLIALATRLASIJ-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464222 673678805 /nfs/dbraw/zinc/67/88/05/673678805.db2.gz KKPLJDSXRAIINL-MRXNPFEDSA-N 1 0 367.471 2.074 20 5 FEBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000599532952 673688912 /nfs/dbraw/zinc/68/89/12/673688912.db2.gz DVKIZFVUJCRWBO-LBPRGKRZSA-N 1 0 361.427 2.287 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599667724 673704124 /nfs/dbraw/zinc/70/41/24/673704124.db2.gz IUEMUITUBUHUPU-AWEZNQCLSA-N 1 0 352.410 2.207 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000742169544 673708993 /nfs/dbraw/zinc/70/89/93/673708993.db2.gz SLJYWSPWSGTDOZ-GFCCVEGCSA-N 1 0 372.267 2.319 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000544474115 673713657 /nfs/dbraw/zinc/71/36/57/673713657.db2.gz ZJMTXKUIYHEMNX-FRRDWIJNSA-N 1 0 351.403 2.335 20 5 FEBDRO CCN(CC[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599910292 673727465 /nfs/dbraw/zinc/72/74/65/673727465.db2.gz KMTOGIMIRFHSBW-UHFFFAOYSA-N 1 0 363.340 2.016 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600035409 673736129 /nfs/dbraw/zinc/73/61/29/673736129.db2.gz NVVXTBQNNDNBBH-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000600412223 673765472 /nfs/dbraw/zinc/76/54/72/673765472.db2.gz ZKFACSNBQMSHPN-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])s1 ZINC000601337634 673844515 /nfs/dbraw/zinc/84/45/15/673844515.db2.gz GDSXLZVKEGDPOU-RYUDHWBXSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601420562 673859836 /nfs/dbraw/zinc/85/98/36/673859836.db2.gz VJFKOQNDLLRJSE-NSHDSACASA-N 1 0 373.500 2.460 20 5 FEBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602638922 673908937 /nfs/dbraw/zinc/90/89/37/673908937.db2.gz HMJRUFPFBJKXFR-RDDDGLTNSA-N 1 0 351.222 2.048 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C2(CO)CCOCC2)cc1Br ZINC000602545630 673907978 /nfs/dbraw/zinc/90/79/78/673907978.db2.gz HKYUKRMLQPLVDV-UHFFFAOYSA-N 1 0 351.222 2.050 20 5 FEBDRO COCCC[N@H+](C)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602560622 673908083 /nfs/dbraw/zinc/90/80/83/673908083.db2.gz NUQSOZNFWGXQPP-UHFFFAOYSA-N 1 0 366.281 2.477 20 5 FEBDRO Cn1nnc2c1CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602709051 673910206 /nfs/dbraw/zinc/91/02/06/673910206.db2.gz ZLQUJYIJRIFDDZ-LLVKDONJSA-N 1 0 355.320 2.389 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000602824180 673911813 /nfs/dbraw/zinc/91/18/13/673911813.db2.gz NJHVQHDIKXFPLY-LSDHHAIUSA-N 1 0 351.357 2.142 20 5 FEBDRO O=[N+]([O-])c1cc(F)ccc1CN(CCN1CCOCC1)[C@H]1CCSC1 ZINC000602890369 673912721 /nfs/dbraw/zinc/91/27/21/673912721.db2.gz HZBUTKUWEPCZOQ-INIZCTEOSA-N 1 0 369.462 2.374 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603378497 673927773 /nfs/dbraw/zinc/92/77/73/673927773.db2.gz IDUOQGGRRYSXMO-UHFFFAOYSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819184615 675267654 /nfs/dbraw/zinc/26/76/54/675267654.db2.gz GHTDXODQAXSEMM-DOMZBBRYSA-N 1 0 353.419 2.379 20 5 FEBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567150629 675271170 /nfs/dbraw/zinc/27/11/70/675271170.db2.gz JZTABWLVDZNZRW-IUCAKERBSA-N 1 0 364.183 2.448 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225035 675271282 /nfs/dbraw/zinc/27/12/82/675271282.db2.gz SIHIOTIFNWCZNO-RGDDUWESSA-N 1 0 351.403 2.299 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000820595501 675372667 /nfs/dbraw/zinc/37/26/67/675372667.db2.gz MVIHZAHWYAZRHB-KOLCDFICSA-N 1 0 363.386 2.120 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824896831 675627166 /nfs/dbraw/zinc/62/71/66/675627166.db2.gz DCMDMHRMMGFRRP-AWEZNQCLSA-N 1 0 370.471 2.099 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000825197388 675640980 /nfs/dbraw/zinc/64/09/80/675640980.db2.gz WPXZSWRHJIYXFB-CBAPKCEASA-N 1 0 360.183 2.354 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825814685 675670065 /nfs/dbraw/zinc/67/00/65/675670065.db2.gz ZBAAKGREXAKNPQ-UHFFFAOYSA-N 1 0 359.224 2.214 20 5 FEBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000826686939 675700549 /nfs/dbraw/zinc/70/05/49/675700549.db2.gz YHJXTPBROFNAAV-SECBINFHSA-N 1 0 361.229 2.458 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000827063501 675726548 /nfs/dbraw/zinc/72/65/48/675726548.db2.gz BCGYWCSIAKHNLS-UHFFFAOYSA-N 1 0 354.426 2.460 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1C ZINC000827660829 675771431 /nfs/dbraw/zinc/77/14/31/675771431.db2.gz BCRGUAQRJOEZOJ-QWHCGFSZSA-N 1 0 355.460 2.307 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000603640503 675800531 /nfs/dbraw/zinc/80/05/31/675800531.db2.gz QQSXLMUWOIFNNX-CHWSQXEVSA-N 1 0 355.460 2.444 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccs1 ZINC000603929002 675802077 /nfs/dbraw/zinc/80/20/77/675802077.db2.gz MBGRMISALMEGTJ-LBPRGKRZSA-N 1 0 370.456 2.019 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000829352655 675876895 /nfs/dbraw/zinc/87/68/95/675876895.db2.gz XRFFZXBPJPUQIS-ZDUSSCGKSA-N 1 0 366.849 2.347 20 5 FEBDRO Cc1nn(C)c(C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000829573175 675883795 /nfs/dbraw/zinc/88/37/95/675883795.db2.gz MWSHTCRGYKDABZ-UHFFFAOYSA-N 1 0 351.451 2.077 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1F ZINC000829625528 675885115 /nfs/dbraw/zinc/88/51/15/675885115.db2.gz FZXDRMAKUAVHNK-HNNXBMFYSA-N 1 0 359.398 2.349 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619486214 676380282 /nfs/dbraw/zinc/38/02/82/676380282.db2.gz ZJAQNNQNPCQSQZ-CHWSQXEVSA-N 1 0 371.459 2.097 20 5 FEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000830023053 677022155 /nfs/dbraw/zinc/02/21/55/677022155.db2.gz NFGNOGCUIIIGAW-ZBFHGGJFSA-N 1 0 367.446 2.363 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc(Br)ccc1[N+](=O)[O-] ZINC000867555049 684312994 /nfs/dbraw/zinc/31/29/94/684312994.db2.gz GLCWIYJGNUYJRC-UHFFFAOYSA-N 1 0 367.221 2.018 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839571259 680762760 /nfs/dbraw/zinc/76/27/60/680762760.db2.gz MUGQAMMZDLZSPR-NSHDSACASA-N 1 0 368.821 2.128 20 5 FEBDRO C[N@H+](CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000839572974 680762979 /nfs/dbraw/zinc/76/29/79/680762979.db2.gz NQPZNJSEBYCMJP-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO COCC1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000841102612 680863521 /nfs/dbraw/zinc/86/35/21/680863521.db2.gz GOUKMJPARSPLHJ-UHFFFAOYSA-N 1 0 356.810 2.386 20 5 FEBDRO C[NH+]1CCC(N(CCO)C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000911933360 685284288 /nfs/dbraw/zinc/28/42/88/685284288.db2.gz FAAHCORPOYFLQJ-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749661664 680064917 /nfs/dbraw/zinc/06/49/17/680064917.db2.gz GWKSOCFTNSBSJH-JKIFEVAISA-N 1 0 351.447 2.106 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccc(Cl)cc2)CC1 ZINC000981138196 680216972 /nfs/dbraw/zinc/21/69/72/680216972.db2.gz PLKBOXLTKHDXHO-IAGOWNOFSA-N 1 0 365.861 2.472 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2Cl)CC1 ZINC000981137339 680217163 /nfs/dbraw/zinc/21/71/63/680217163.db2.gz QETJZZTXQZQREB-NVXWUHKLSA-N 1 0 365.861 2.472 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC000912151060 685320035 /nfs/dbraw/zinc/32/00/35/685320035.db2.gz QWBNQAVOWDBFKI-MRXNPFEDSA-N 1 0 366.805 2.105 20 5 FEBDRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1Cl ZINC000996429887 680332290 /nfs/dbraw/zinc/33/22/90/680332290.db2.gz WQYKMHGMIDFWSF-UKRRQHHQSA-N 1 0 367.833 2.094 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000997771986 680365761 /nfs/dbraw/zinc/36/57/61/680365761.db2.gz KJEDQOJHNYMMKU-HZPDHXFCSA-N 1 0 351.834 2.333 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@@H+](Cc2cscn2)CC2CC2)CC1 ZINC001039485675 680463762 /nfs/dbraw/zinc/46/37/62/680463762.db2.gz JKQSHOBXMWGPMM-HZPDHXFCSA-N 1 0 364.471 2.011 20 5 FEBDRO Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002788167 680508497 /nfs/dbraw/zinc/50/84/97/680508497.db2.gz OCTVEBUJYKFQEN-CZUORRHYSA-N 1 0 351.834 2.394 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000836791574 680514591 /nfs/dbraw/zinc/51/45/91/680514591.db2.gz VQOKMEGCRVCBDG-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCC1 ZINC000759358146 680644448 /nfs/dbraw/zinc/64/44/48/680644448.db2.gz YQEDKORNRLULCP-UHFFFAOYSA-N 1 0 353.394 2.351 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841245476 680870889 /nfs/dbraw/zinc/87/08/89/680870889.db2.gz KYEYVQFPSCRCPI-XYPYZODXSA-N 1 0 368.821 2.068 20 5 FEBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842006775 680921519 /nfs/dbraw/zinc/92/15/19/680921519.db2.gz RSNURAANGLTPOQ-RKDXNWHRSA-N 1 0 371.235 2.161 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000768864771 680962359 /nfs/dbraw/zinc/96/23/59/680962359.db2.gz BBRTZDKOIVTCJP-LBPRGKRZSA-N 1 0 359.473 2.009 20 5 FEBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000842918294 680975315 /nfs/dbraw/zinc/97/53/15/680975315.db2.gz FVBXYICCFGCNMA-UHFFFAOYSA-N 1 0 369.365 2.411 20 5 FEBDRO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000843363512 680999761 /nfs/dbraw/zinc/99/97/61/680999761.db2.gz QSOYGIUUGIPHTL-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843368631 681000163 /nfs/dbraw/zinc/00/01/63/681000163.db2.gz PYBCLIKVIYWPRW-MEDUHNTESA-N 1 0 352.822 2.261 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774357927 681181025 /nfs/dbraw/zinc/18/10/25/681181025.db2.gz VGCKCXZVDINNNA-BFHYXJOUSA-N 1 0 351.407 2.095 20 5 FEBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1C[NH+]2CCC1CC2 ZINC000932538339 681261754 /nfs/dbraw/zinc/26/17/54/681261754.db2.gz IBOUEBGLTBRYKR-NSHDSACASA-N 1 0 356.785 2.136 20 5 FEBDRO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932547730 681262908 /nfs/dbraw/zinc/26/29/08/681262908.db2.gz QQXFSFFDDPJAIS-VIFPVBQESA-N 1 0 356.785 2.278 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846693687 681276277 /nfs/dbraw/zinc/27/62/77/681276277.db2.gz JGXVKCHDDVTELM-GWCFXTLKSA-N 1 0 350.375 2.401 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846693688 681276397 /nfs/dbraw/zinc/27/63/97/681276397.db2.gz JGXVKCHDDVTELM-GXFFZTMASA-N 1 0 350.375 2.401 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000775812946 681337996 /nfs/dbraw/zinc/33/79/96/681337996.db2.gz GVWBGYXVKUKUOO-DUVNUKRYSA-N 1 0 351.403 2.085 20 5 FEBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591694 681412477 /nfs/dbraw/zinc/41/24/77/681412477.db2.gz FVHIDECTWPLNKJ-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCC(C)(F)F)c2)CC1 ZINC000934040882 681499638 /nfs/dbraw/zinc/49/96/38/681499638.db2.gz ROUPWKXVRQSYOA-UHFFFAOYSA-N 1 0 357.361 2.123 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581641 681582586 /nfs/dbraw/zinc/58/25/86/681582586.db2.gz BJNCZVJBVPJOTP-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1 ZINC000848601630 681588692 /nfs/dbraw/zinc/58/86/92/681588692.db2.gz FETHWQDWPOVDOQ-UHFFFAOYSA-N 1 0 373.862 2.449 20 5 FEBDRO Cc1cccc(NC(=[NH2+])NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000849082278 681651046 /nfs/dbraw/zinc/65/10/46/681651046.db2.gz QCEGZWIIUSGTAZ-UHFFFAOYSA-N 1 0 362.411 2.313 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903023 685466274 /nfs/dbraw/zinc/46/62/74/685466274.db2.gz KLAYYKFMCLBMDX-SNVBAGLBSA-N 1 0 354.204 2.278 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000779892465 681767061 /nfs/dbraw/zinc/76/70/61/681767061.db2.gz JDPQOSVLQRZIGH-LBPRGKRZSA-N 1 0 373.862 2.319 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000780721226 681866087 /nfs/dbraw/zinc/86/60/87/681866087.db2.gz YNUZDBFYJMSDMK-CYBMUJFWSA-N 1 0 355.460 2.310 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850548423 681915438 /nfs/dbraw/zinc/91/54/38/681915438.db2.gz RCDWVHXLLOFOJB-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO CC[N@H+](CC1CC(F)(F)C1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713135 681918853 /nfs/dbraw/zinc/91/88/53/681918853.db2.gz NSXKBWITHYUAMT-HUUCEWRRSA-N 1 0 359.417 2.257 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCC[NH+]1CCCC1 ZINC000781566992 681949147 /nfs/dbraw/zinc/94/91/47/681949147.db2.gz XVEPONQVCWNDDU-UHFFFAOYSA-N 1 0 350.375 2.038 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000851820574 682147481 /nfs/dbraw/zinc/14/74/81/682147481.db2.gz CAEDTGFUDSVNJS-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000783637057 682161226 /nfs/dbraw/zinc/16/12/26/682161226.db2.gz CJOCHLMPUXNQQU-BDJLRTHQSA-N 1 0 366.805 2.058 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000918194032 685537867 /nfs/dbraw/zinc/53/78/67/685537867.db2.gz QJUFPXYBGNCKRG-NEPJUHHUSA-N 1 0 359.423 2.275 20 5 FEBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000786164146 682355531 /nfs/dbraw/zinc/35/55/31/682355531.db2.gz BOMKFBYVFJSXCE-UHFFFAOYSA-N 1 0 356.444 2.163 20 5 FEBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437704 682529930 /nfs/dbraw/zinc/52/99/30/682529930.db2.gz SXTAFGDNIHLCHC-OLZOCXBDSA-N 1 0 358.464 2.078 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854651566 682575459 /nfs/dbraw/zinc/57/54/59/682575459.db2.gz DTVBKODMHDPHST-YPMHNXCESA-N 1 0 350.375 2.284 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855288401 682654255 /nfs/dbraw/zinc/65/42/55/682654255.db2.gz IOUDVYFARATOKT-NSHDSACASA-N 1 0 350.375 2.414 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000856728799 682799331 /nfs/dbraw/zinc/79/93/31/682799331.db2.gz IRNCTBZEASZWLV-GXTWGEPZSA-N 1 0 370.247 2.393 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000856734750 682800987 /nfs/dbraw/zinc/80/09/87/682800987.db2.gz GIFLBCOGUWJDIA-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C2 ZINC000857769110 682911463 /nfs/dbraw/zinc/91/14/63/682911463.db2.gz AQKCZSVPWULJRS-NHYWBVRUSA-N 1 0 355.341 2.154 20 5 FEBDRO COc1ccc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000794669002 682988646 /nfs/dbraw/zinc/98/86/46/682988646.db2.gz NGUIBFLVXMGIKN-AWEZNQCLSA-N 1 0 352.387 2.117 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859221352 683058912 /nfs/dbraw/zinc/05/89/12/683058912.db2.gz JVOGBCQPEWWEPB-LBPRGKRZSA-N 1 0 355.822 2.431 20 5 FEBDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000926252938 683099140 /nfs/dbraw/zinc/09/91/40/683099140.db2.gz AFMDEVILAXQSRV-SMKXDYDZSA-N 1 0 367.471 2.256 20 5 FEBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553020 683170594 /nfs/dbraw/zinc/17/05/94/683170594.db2.gz NOCXTSOKOXWBKH-JKSUJKDBSA-N 1 0 351.403 2.181 20 5 FEBDRO Cc1c(CC(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000797021244 683216212 /nfs/dbraw/zinc/21/62/12/683216212.db2.gz WTOWHGMDFXYSPA-INIZCTEOSA-N 1 0 350.415 2.346 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797528817 683257170 /nfs/dbraw/zinc/25/71/70/683257170.db2.gz XIVNWGCAVPXLGI-DTTOXWODSA-N 1 0 350.415 2.287 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294662 683332495 /nfs/dbraw/zinc/33/24/95/683332495.db2.gz HPJXXODAFPHDBJ-BXKDBHETSA-N 1 0 371.235 2.165 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000920315974 683334128 /nfs/dbraw/zinc/33/41/28/683334128.db2.gz SQSLLMADESHHCF-GHMZBOCLSA-N 1 0 359.835 2.153 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928092984 683381463 /nfs/dbraw/zinc/38/14/63/683381463.db2.gz JKIZQOMPYCIGEF-HUUCEWRRSA-N 1 0 369.874 2.487 20 5 FEBDRO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351984 683395884 /nfs/dbraw/zinc/39/58/84/683395884.db2.gz LIKJBBYRSMZKKZ-CXAGYDPISA-N 1 0 352.387 2.178 20 5 FEBDRO C[C@@H]([NH3+])CN(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000861549981 683434263 /nfs/dbraw/zinc/43/42/63/683434263.db2.gz VSKGVZKZJXUBDQ-SECBINFHSA-N 1 0 363.340 2.014 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451742 683454030 /nfs/dbraw/zinc/45/40/30/683454030.db2.gz GNQUZPOTAVYHEN-AAEUAGOBSA-N 1 0 353.444 2.045 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000862236576 683556074 /nfs/dbraw/zinc/55/60/74/683556074.db2.gz OIDMOYDRHVTKHR-LBPRGKRZSA-N 1 0 355.822 2.431 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000929216499 683564081 /nfs/dbraw/zinc/56/40/81/683564081.db2.gz BYSAIJUGIGGIDC-GJZGRUSLSA-N 1 0 368.821 2.311 20 5 FEBDRO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294536 683699646 /nfs/dbraw/zinc/69/96/46/683699646.db2.gz HIVHKPRYECTKRU-VYDXJSESSA-N 1 0 363.439 2.459 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922870469 683795324 /nfs/dbraw/zinc/79/53/24/683795324.db2.gz QYOOBMCXULKNPE-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931311765 684259557 /nfs/dbraw/zinc/25/95/57/684259557.db2.gz SKWBHEKPMLPTIE-IAGOWNOFSA-N 1 0 366.849 2.460 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923445142 684281897 /nfs/dbraw/zinc/28/18/97/684281897.db2.gz UECMAJDZEAHPGM-AGIUHOORSA-N 1 0 350.419 2.003 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931725074 684337100 /nfs/dbraw/zinc/33/71/00/684337100.db2.gz NNCHNWZGJXLGAC-QWHCGFSZSA-N 1 0 352.822 2.355 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000931725493 684337689 /nfs/dbraw/zinc/33/76/89/684337689.db2.gz XNTQWJUFQZRDGG-WCQYABFASA-N 1 0 352.822 2.355 20 5 FEBDRO C[NH+](C)CC(C)(C)NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868827524 684547138 /nfs/dbraw/zinc/54/71/38/684547138.db2.gz XMFQBIXRNMUUIZ-UHFFFAOYSA-N 1 0 358.236 2.356 20 5 FEBDRO CN(CCC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1cc[nH+]cc1 ZINC000911473506 685215121 /nfs/dbraw/zinc/21/51/21/685215121.db2.gz DOINMHAXCRONNU-UHFFFAOYSA-N 1 0 350.325 2.411 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877278054 686347638 /nfs/dbraw/zinc/34/76/38/686347638.db2.gz KOTCFUGVUQYZNZ-QWHCGFSZSA-N 1 0 353.806 2.370 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877392109 686370980 /nfs/dbraw/zinc/37/09/80/686370980.db2.gz FFLJEKSPQPKDHR-ZBFHGGJFSA-N 1 0 353.806 2.418 20 5 FEBDRO CO[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@](C)(CO)C1 ZINC000879262733 686782481 /nfs/dbraw/zinc/78/24/81/686782481.db2.gz YWPGMTJTDWBUQX-RISCZKNCSA-N 1 0 359.220 2.329 20 5 FEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880028295 686978585 /nfs/dbraw/zinc/97/85/85/686978585.db2.gz CAXGPRNZBDCTGV-LBPRGKRZSA-N 1 0 351.403 2.215 20 5 FEBDRO COCC1([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000880187314 687013311 /nfs/dbraw/zinc/01/33/11/687013311.db2.gz DVLPEAQUQAMRFE-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882430665 687365710 /nfs/dbraw/zinc/36/57/10/687365710.db2.gz AARLSBFEMLAIDT-JSGCOSHPSA-N 1 0 373.450 2.475 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884958808 687975918 /nfs/dbraw/zinc/97/59/18/687975918.db2.gz DXGVFBAERVJNJD-NEPJUHHUSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885868592 688172964 /nfs/dbraw/zinc/17/29/64/688172964.db2.gz LEBWOQHDNNPNTP-HNNXBMFYSA-N 1 0 367.833 2.160 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899493 688335985 /nfs/dbraw/zinc/33/59/85/688335985.db2.gz MMMKTMFXWBFLMD-OAHLLOKOSA-N 1 0 373.862 2.403 20 5 FEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135214 689301906 /nfs/dbraw/zinc/30/19/06/689301906.db2.gz NQBDDTISBBFVAB-WBMJQRKESA-N 1 0 354.428 2.453 20 5 FEBDRO CN(CC[N@H+](C)CCO)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000894590328 689559824 /nfs/dbraw/zinc/55/98/24/689559824.db2.gz DCDKZCMJIUXTOO-UHFFFAOYSA-N 1 0 372.294 2.004 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1Br ZINC000895749595 689765229 /nfs/dbraw/zinc/76/52/29/689765229.db2.gz UBDUNMNWCCCOPY-DTWKUNHWSA-N 1 0 365.249 2.438 20 5 FEBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)O2 ZINC000895819897 689775643 /nfs/dbraw/zinc/77/56/43/689775643.db2.gz LKSLTACWRFERFD-UUWVWRBOSA-N 1 0 350.419 2.057 20 5 FEBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[N@H+](C)CCN1C ZINC000896579278 689900254 /nfs/dbraw/zinc/90/02/54/689900254.db2.gz BQFATQIUDJITHW-BXUZGUMPSA-N 1 0 362.455 2.174 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC([NH+]2CCCC2)C1 ZINC000898608926 690217761 /nfs/dbraw/zinc/21/77/61/690217761.db2.gz LQPATHGPNDBWCK-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO CC[NH+](CC)CCn1c(=O)c2ccccc2nc1SCC[N+](=O)[O-] ZINC000899859583 690429479 /nfs/dbraw/zinc/42/94/79/690429479.db2.gz BVZGKFFDFHTQTA-UHFFFAOYSA-N 1 0 350.444 2.107 20 5 FEBDRO C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837396 690571845 /nfs/dbraw/zinc/57/18/45/690571845.db2.gz GICOIBBJOLIYRX-DLBZAZTESA-N 1 0 365.455 2.016 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nnnn1C ZINC000903348373 690883709 /nfs/dbraw/zinc/88/37/09/690883709.db2.gz AWKKWPZIXSXLHZ-LBPRGKRZSA-N 1 0 350.448 2.211 20 5 FEBDRO CO[C@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCS(=O)(=O)C1 ZINC000903362798 690885893 /nfs/dbraw/zinc/88/58/93/690885893.db2.gz JOBIIFQXQSMTDZ-NHYWBVRUSA-N 1 0 374.484 2.171 20 5 FEBDRO CCC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369063 690887708 /nfs/dbraw/zinc/88/77/08/690887708.db2.gz SFGIBFVBSJXFBI-JKSUJKDBSA-N 1 0 356.444 2.229 20 5 FEBDRO COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000904411526 691026145 /nfs/dbraw/zinc/02/61/45/691026145.db2.gz LQQBJKQHQDQNSK-SNVBAGLBSA-N 1 0 362.308 2.066 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904471070 691029962 /nfs/dbraw/zinc/02/99/62/691029962.db2.gz WHFQOUWULSNGGW-XXILOJSOSA-N 1 0 355.192 2.372 20 5 FEBDRO CCSc1ccccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905567089 691142675 /nfs/dbraw/zinc/14/26/75/691142675.db2.gz XYXGDXAVHQCNFT-HNNXBMFYSA-N 1 0 350.444 2.097 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@H+]1CCCO ZINC000908524719 691693424 /nfs/dbraw/zinc/69/34/24/691693424.db2.gz BORAMTVKDHTREK-OAHLLOKOSA-N 1 0 369.849 2.144 20 5 FEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001164729239 720506671 /nfs/dbraw/zinc/50/66/71/720506671.db2.gz IZWSGSSCEVEMKQ-LLVKDONJSA-N 1 0 350.810 2.038 20 5 FEBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867768 721062575 /nfs/dbraw/zinc/06/25/75/721062575.db2.gz KHFBZZKQKBWFRB-HZPDHXFCSA-N 1 0 373.388 2.004 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931230 721861377 /nfs/dbraw/zinc/86/13/77/721861377.db2.gz UJLZHTWBJSKPRQ-ROUUACIJSA-N 1 0 355.442 2.358 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000015131535 539612689 /nfs/dbraw/zinc/61/26/89/539612689.db2.gz CHNIJDZPFJEKMX-UHFFFAOYSA-N 1 0 358.464 2.034 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000042382179 540060819 /nfs/dbraw/zinc/06/08/19/540060819.db2.gz FJKJANBIHALOSW-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744898 540224906 /nfs/dbraw/zinc/22/49/06/540224906.db2.gz CUSGDAJKXVQRAC-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000047145403 540292766 /nfs/dbraw/zinc/29/27/66/540292766.db2.gz KADCQILHTPEFES-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1c(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cccc1[N+](=O)[O-] ZINC000047949459 540336438 /nfs/dbraw/zinc/33/64/38/540336438.db2.gz DNIJACWGDYTWDN-UHFFFAOYSA-N 1 0 357.414 2.031 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc([N+](=O)[O-])c1 ZINC000052936708 540501349 /nfs/dbraw/zinc/50/13/49/540501349.db2.gz ZDZKRLDAEFFKSS-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1C ZINC000055265253 540642191 /nfs/dbraw/zinc/64/21/91/540642191.db2.gz VAKYKIRWVUCISU-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000055281595 540643491 /nfs/dbraw/zinc/64/34/91/540643491.db2.gz GVVIPSPBNUTFFO-ZDUSSCGKSA-N 1 0 355.460 2.304 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055295406 540644010 /nfs/dbraw/zinc/64/40/10/540644010.db2.gz RZSZZGSTLGFVPZ-OAHLLOKOSA-N 1 0 363.439 2.046 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000056786190 540745113 /nfs/dbraw/zinc/74/51/13/540745113.db2.gz QUSBOIKOWVRSGM-HUUCEWRRSA-N 1 0 363.462 2.426 20 5 FEBDRO CCOc1cc(C(=O)NCC2CC[NH+](CC)CC2)c([N+](=O)[O-])cc1OC ZINC000057000532 540760448 /nfs/dbraw/zinc/76/04/48/540760448.db2.gz IUHDQCHDZYMIND-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058178752 540831314 /nfs/dbraw/zinc/83/13/14/540831314.db2.gz SDHSGHFQWPWMNP-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000060833251 541122172 /nfs/dbraw/zinc/12/21/72/541122172.db2.gz NLKBVQNOTLTLGU-UHFFFAOYSA-N 1 0 369.425 2.062 20 5 FEBDRO CNC(=O)C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061027840 541124881 /nfs/dbraw/zinc/12/48/81/541124881.db2.gz WFEQCYQCGIRUEQ-UHFFFAOYSA-N 1 0 359.382 2.018 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000061198773 541127751 /nfs/dbraw/zinc/12/77/51/541127751.db2.gz APEMSSAYNNIIEF-UHFFFAOYSA-N 1 0 351.451 2.213 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000062120376 541144146 /nfs/dbraw/zinc/14/41/46/541144146.db2.gz NLKVWKDAHZVULP-OLZOCXBDSA-N 1 0 362.430 2.221 20 5 FEBDRO CC(C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000063783808 541186194 /nfs/dbraw/zinc/18/61/94/541186194.db2.gz KERLWTLWQBKFIZ-INIZCTEOSA-N 1 0 351.451 2.054 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064333742 541201768 /nfs/dbraw/zinc/20/17/68/541201768.db2.gz VMSVXORMISCDDH-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000065977929 541276034 /nfs/dbraw/zinc/27/60/34/541276034.db2.gz DMNRGHWWKZSZOT-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066395961 541313751 /nfs/dbraw/zinc/31/37/51/541313751.db2.gz RUNOYLIUNVOTNA-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067361158 541449097 /nfs/dbraw/zinc/44/90/97/541449097.db2.gz VUKXZNNDCYWFBG-KRWDZBQOSA-N 1 0 371.441 2.210 20 5 FEBDRO COc1cc(OCC(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000069125553 541661042 /nfs/dbraw/zinc/66/10/42/541661042.db2.gz MCOLIVGOALSBDC-UHFFFAOYSA-N 1 0 365.430 2.365 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000069989525 541730104 /nfs/dbraw/zinc/73/01/04/541730104.db2.gz NCPKJXJBHNZFKV-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000072703882 541854724 /nfs/dbraw/zinc/85/47/24/541854724.db2.gz LRXPQIBVXBGIEI-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000072716324 541855366 /nfs/dbraw/zinc/85/53/66/541855366.db2.gz RKCBIRUNGKOPSO-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000109213583 206049792 /nfs/dbraw/zinc/04/97/92/206049792.db2.gz DKYXNVNXXBLMNZ-HNNXBMFYSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000110057352 206070472 /nfs/dbraw/zinc/07/04/72/206070472.db2.gz SALSXTCEIWTBOI-UHFFFAOYSA-N 1 0 365.430 2.249 20 5 FEBDRO COC(=O)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000109390129 206055480 /nfs/dbraw/zinc/05/54/80/206055480.db2.gz QGIBTGXQMINDHP-UHFFFAOYSA-N 1 0 367.402 2.063 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000074136929 542042787 /nfs/dbraw/zinc/04/27/87/542042787.db2.gz RNSSZOZZJBNWIP-MRXNPFEDSA-N 1 0 359.430 2.487 20 5 FEBDRO COc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000074137191 542042887 /nfs/dbraw/zinc/04/28/87/542042887.db2.gz WRTXSMOCNNLGPZ-LBPRGKRZSA-N 1 0 353.419 2.318 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000077819899 542423790 /nfs/dbraw/zinc/42/37/90/542423790.db2.gz WSNHILFYTYJHOZ-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203146 542447629 /nfs/dbraw/zinc/44/76/29/542447629.db2.gz KYMUJIZZJFMGCR-ZMSDIMECSA-N 1 0 358.442 2.340 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000081122187 542634425 /nfs/dbraw/zinc/63/44/25/542634425.db2.gz ISQLCNDWKPYLBL-MRXNPFEDSA-N 1 0 371.441 2.259 20 5 FEBDRO CN(CCCC[NH+](C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000081789307 542676680 /nfs/dbraw/zinc/67/66/80/542676680.db2.gz BCDDWMQGVVWENY-UHFFFAOYSA-N 1 0 359.430 2.409 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000087488341 542746216 /nfs/dbraw/zinc/74/62/16/542746216.db2.gz CEOGPUQEZBWNLW-AWEZNQCLSA-N 1 0 365.455 2.013 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000089961119 542777370 /nfs/dbraw/zinc/77/73/70/542777370.db2.gz GFJJULFYIWMREW-DLBZAZTESA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000093077795 542908233 /nfs/dbraw/zinc/90/82/33/542908233.db2.gz FWYVANNNSMCQLG-UHFFFAOYSA-N 1 0 358.402 2.233 20 5 FEBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156005690 545591664 /nfs/dbraw/zinc/59/16/64/545591664.db2.gz PXQRQWPUPVRARX-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000101572618 543034589 /nfs/dbraw/zinc/03/45/89/543034589.db2.gz GBQRYPUPFGKOMS-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000102331573 543065463 /nfs/dbraw/zinc/06/54/63/543065463.db2.gz UMBYBUVJTVHOND-MRXNPFEDSA-N 1 0 365.478 2.425 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490217 543071722 /nfs/dbraw/zinc/07/17/22/543071722.db2.gz ZXXAEULTSCGFPQ-ZDUSSCGKSA-N 1 0 351.451 2.153 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000551888127 674168851 /nfs/dbraw/zinc/16/88/51/674168851.db2.gz MGTYHRYGARXBBA-HOCLYGCPSA-N 1 0 365.455 2.289 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000107192633 543262789 /nfs/dbraw/zinc/26/27/89/543262789.db2.gz QUVOPXSCPYRWGB-UHFFFAOYSA-N 1 0 361.402 2.220 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc([N+](=O)[O-])c1 ZINC000107283091 543265042 /nfs/dbraw/zinc/26/50/42/543265042.db2.gz YCDZONBFNJUNHD-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO O=[N+]([O-])c1ncn(Cc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)n1 ZINC000109569496 543327434 /nfs/dbraw/zinc/32/74/34/543327434.db2.gz NOWJCBHTSSUZAH-UHFFFAOYSA-N 1 0 369.385 2.271 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111231228 543387282 /nfs/dbraw/zinc/38/72/82/543387282.db2.gz VHRJKWROTZFEPX-OAHLLOKOSA-N 1 0 350.438 2.336 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111339947 543397503 /nfs/dbraw/zinc/39/75/03/543397503.db2.gz VRZFEWQVXKLJRX-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000113271256 543480984 /nfs/dbraw/zinc/48/09/84/543480984.db2.gz UZQVSKWECJMDOV-WCQYABFASA-N 1 0 352.822 2.355 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000113301246 543483399 /nfs/dbraw/zinc/48/33/99/543483399.db2.gz HAUJUDYYFSAKJB-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000115436534 543566544 /nfs/dbraw/zinc/56/65/44/543566544.db2.gz JSBUWHLBLBERML-ZDUSSCGKSA-N 1 0 363.414 2.185 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000115441286 543567423 /nfs/dbraw/zinc/56/74/23/543567423.db2.gz IXIPFMYQPWTULQ-AWEZNQCLSA-N 1 0 371.441 2.409 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115585999 543575980 /nfs/dbraw/zinc/57/59/80/543575980.db2.gz OCUSKFNDYACBAN-CYBMUJFWSA-N 1 0 355.460 2.120 20 5 FEBDRO COCC1([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000552073649 674185760 /nfs/dbraw/zinc/18/57/60/674185760.db2.gz MTRGSNUASXBNQE-ZDUSSCGKSA-N 1 0 351.403 2.097 20 5 FEBDRO O=C(c1ccccn1)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116074876 543597749 /nfs/dbraw/zinc/59/77/49/543597749.db2.gz MPTKFTHBJUCMRB-UHFFFAOYSA-N 1 0 354.410 2.380 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120253480 543677271 /nfs/dbraw/zinc/67/72/71/543677271.db2.gz NCZOPMNDFHFJEC-UHFFFAOYSA-N 1 0 351.451 2.169 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123140095 543744921 /nfs/dbraw/zinc/74/49/21/543744921.db2.gz YGXXNBNPKGBKKY-MFKMUULPSA-N 1 0 350.375 2.366 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000122419412 543707139 /nfs/dbraw/zinc/70/71/39/543707139.db2.gz ONSLHWDRQPCNMS-KGLIPLIRSA-N 1 0 353.444 2.008 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123762318 543780878 /nfs/dbraw/zinc/78/08/78/543780878.db2.gz YGJXFLPIESFSGQ-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cnc(N3CCOCC3)s1)CC2 ZINC000124769594 543842157 /nfs/dbraw/zinc/84/21/57/543842157.db2.gz BHUXVBRPZMAGST-UHFFFAOYSA-N 1 0 360.439 2.446 20 5 FEBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000124893693 543850047 /nfs/dbraw/zinc/85/00/47/543850047.db2.gz PJALTZBXYPHPCW-HIFRSBDPSA-N 1 0 371.397 2.135 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125595315 543890513 /nfs/dbraw/zinc/89/05/13/543890513.db2.gz BYNYYJOZKATOCN-ZDUSSCGKSA-N 1 0 369.219 2.219 20 5 FEBDRO C[NH+]1CCN([C@H]2CCCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000127041590 543969509 /nfs/dbraw/zinc/96/95/09/543969509.db2.gz RMJDIVNKGRNDPM-ZDUSSCGKSA-N 1 0 353.854 2.250 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000129622498 544121050 /nfs/dbraw/zinc/12/10/50/544121050.db2.gz KURIPQOAXYEXJR-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000130407099 544149505 /nfs/dbraw/zinc/14/95/05/544149505.db2.gz TWOGMLRSXNLHMS-KRWDZBQOSA-N 1 0 350.415 2.116 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000131980696 544214145 /nfs/dbraw/zinc/21/41/45/544214145.db2.gz HBNTXRDBNNDSQK-OAHLLOKOSA-N 1 0 363.462 2.221 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134929745 544327646 /nfs/dbraw/zinc/32/76/46/544327646.db2.gz OGJIFNOXAGXFSA-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000145527603 544434687 /nfs/dbraw/zinc/43/46/87/544434687.db2.gz CVWZAZVWIVRPHT-BETUJISGSA-N 1 0 360.414 2.305 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152509662 544663343 /nfs/dbraw/zinc/66/33/43/544663343.db2.gz ZVHXDMXLYUFWJN-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000152316590 544637785 /nfs/dbraw/zinc/63/77/85/544637785.db2.gz LSOLHJHKCMQZRI-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO COc1cccc(CNC(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153051653 544726753 /nfs/dbraw/zinc/72/67/53/544726753.db2.gz VSPWGYVEDSZEBK-UHFFFAOYSA-N 1 0 355.394 2.278 20 5 FEBDRO COc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000153153616 544739082 /nfs/dbraw/zinc/73/90/82/544739082.db2.gz KSWYEEBYFDLUAS-INIZCTEOSA-N 1 0 358.394 2.401 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000153590240 544795765 /nfs/dbraw/zinc/79/57/65/544795765.db2.gz FRPVTEFOMFNRHU-AOOOYVTPSA-N 1 0 356.220 2.109 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192442 545000448 /nfs/dbraw/zinc/00/04/48/545000448.db2.gz UOYMCNAVWKVTSB-IUODEOHRSA-N 1 0 362.386 2.368 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553249343 674248238 /nfs/dbraw/zinc/24/82/38/674248238.db2.gz FVQKFECNHRKLNV-LLVKDONJSA-N 1 0 351.432 2.368 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181929415 327753333 /nfs/dbraw/zinc/75/33/33/327753333.db2.gz RXUIJWCXOHVXAP-HNNXBMFYSA-N 1 0 369.487 2.032 20 5 FEBDRO CC[NH+]1CCN(C[C@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804357972 674281891 /nfs/dbraw/zinc/28/18/91/674281891.db2.gz SHVSZNRSLYZTAK-CYBMUJFWSA-N 1 0 351.407 2.189 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@@H]12 ZINC000185105596 327900048 /nfs/dbraw/zinc/90/00/48/327900048.db2.gz KWTKUUJCTXTFDB-IAOVAPTHSA-N 1 0 358.442 2.394 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185648957 327926410 /nfs/dbraw/zinc/92/64/10/327926410.db2.gz IGKRJVFFVXTGCP-DZKIICNBSA-N 1 0 358.394 2.489 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187903626 328053540 /nfs/dbraw/zinc/05/35/40/328053540.db2.gz MIVMSQVSNMEIAL-SCLBCKFNSA-N 1 0 365.430 2.415 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000188176403 328071204 /nfs/dbraw/zinc/07/12/04/328071204.db2.gz CQTSCKZNQVRPNS-FQEVSTJZSA-N 1 0 369.421 2.304 20 5 FEBDRO COCC[N@H+](C)CCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000189430635 328147914 /nfs/dbraw/zinc/14/79/14/328147914.db2.gz DWAMPYKWVOXRRN-UHFFFAOYSA-N 1 0 352.435 2.113 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189555357 328154997 /nfs/dbraw/zinc/15/49/97/328154997.db2.gz FNHIQTJUGRLFMN-LSDHHAIUSA-N 1 0 351.447 2.269 20 5 FEBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189795620 328168546 /nfs/dbraw/zinc/16/85/46/328168546.db2.gz GYNWMNGGJFWGJH-OAHLLOKOSA-N 1 0 362.474 2.332 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)n1 ZINC000191467813 328267210 /nfs/dbraw/zinc/26/72/10/328267210.db2.gz TZSVYWONUPZHJY-UHFFFAOYSA-N 1 0 372.429 2.205 20 5 FEBDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000191645890 328275565 /nfs/dbraw/zinc/27/55/65/328275565.db2.gz LZXKODOZPNAZEC-CQSZACIVSA-N 1 0 373.413 2.105 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000191652006 328275966 /nfs/dbraw/zinc/27/59/66/328275966.db2.gz QXOTXCISNLSLQI-SFHVURJKSA-N 1 0 365.430 2.415 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000192697613 328333590 /nfs/dbraw/zinc/33/35/90/328333590.db2.gz YXSACXBQKPDJCJ-LSDHHAIUSA-N 1 0 351.451 2.299 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192959393 328349169 /nfs/dbraw/zinc/34/91/69/328349169.db2.gz APRIVXZHPRUOSQ-CQSZACIVSA-N 1 0 355.398 2.023 20 5 FEBDRO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193024706 328352587 /nfs/dbraw/zinc/35/25/87/328352587.db2.gz HWUAREVHXCGBQG-MRXNPFEDSA-N 1 0 355.460 2.450 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000193105598 328357556 /nfs/dbraw/zinc/35/75/56/328357556.db2.gz SDHSGHFQWPWMNP-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)N1 ZINC000193466647 328377050 /nfs/dbraw/zinc/37/70/50/328377050.db2.gz VVVIAVAQFQKYNI-GOSISDBHSA-N 1 0 370.365 2.029 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193745710 328392966 /nfs/dbraw/zinc/39/29/66/328392966.db2.gz UWKAMWWWIJZWSG-LBPRGKRZSA-N 1 0 371.397 2.046 20 5 FEBDRO [NH3+][C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000194281317 328417986 /nfs/dbraw/zinc/41/79/86/328417986.db2.gz JSUMACOTNORWLV-GOSISDBHSA-N 1 0 354.410 2.334 20 5 FEBDRO CCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008085465 324360351 /nfs/dbraw/zinc/36/03/51/324360351.db2.gz RSWHZMJLYXNXCG-UHFFFAOYSA-N 1 0 363.439 2.225 20 5 FEBDRO CCc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008085475 324360504 /nfs/dbraw/zinc/36/05/04/324360504.db2.gz XQNFNSKRRNWTFM-UHFFFAOYSA-N 1 0 363.439 2.225 20 5 FEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045622295 324582307 /nfs/dbraw/zinc/58/23/07/324582307.db2.gz ARUAEFXPTKEFRB-UHFFFAOYSA-N 1 0 369.425 2.454 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000048693182 324671462 /nfs/dbraw/zinc/67/14/62/324671462.db2.gz BYLBTORUQRQYHK-UHFFFAOYSA-N 1 0 350.419 2.077 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000053992090 324753293 /nfs/dbraw/zinc/75/32/93/324753293.db2.gz GVXPIOMAPMKCAY-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237216251 328508726 /nfs/dbraw/zinc/50/87/26/328508726.db2.gz OYBYOTRWKCSXQX-KBPBESRZSA-N 1 0 367.471 2.470 20 5 FEBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000081555143 325183185 /nfs/dbraw/zinc/18/31/85/325183185.db2.gz RHEGVGCXLGNQCH-SECBINFHSA-N 1 0 361.345 2.019 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000085634682 325257056 /nfs/dbraw/zinc/25/70/56/325257056.db2.gz FCZPJKYYKKDRQF-AWEZNQCLSA-N 1 0 350.419 2.132 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088794088 325302881 /nfs/dbraw/zinc/30/28/81/325302881.db2.gz NBFCHVIHCWPUEQ-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237819535 328530075 /nfs/dbraw/zinc/53/00/75/328530075.db2.gz QRUDRYIGIZPCSL-ZACCUICWSA-N 1 0 359.835 2.118 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000090394414 325357513 /nfs/dbraw/zinc/35/75/13/325357513.db2.gz PFAGZXJUYCBGNM-HOTGVXAUSA-N 1 0 371.441 2.258 20 5 FEBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090511988 325361702 /nfs/dbraw/zinc/36/17/02/325361702.db2.gz OVSQEPMTGUDMKH-HNNXBMFYSA-N 1 0 370.409 2.107 20 5 FEBDRO Cn1cc(C[NH2+]CC(C)(C)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237905494 328533568 /nfs/dbraw/zinc/53/35/68/328533568.db2.gz UHJPBCISFCNZLN-UHFFFAOYSA-N 1 0 373.457 2.196 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093740439 325446803 /nfs/dbraw/zinc/44/68/03/325446803.db2.gz YMNYHXHTDNUBBK-ZDUSSCGKSA-N 1 0 359.373 2.085 20 5 FEBDRO CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000102815351 325498932 /nfs/dbraw/zinc/49/89/32/325498932.db2.gz MZFAGIYLTADSNK-UHFFFAOYSA-N 1 0 350.419 2.162 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104515614 325540018 /nfs/dbraw/zinc/54/00/18/325540018.db2.gz QWEHFTSAYRCUCP-VOTSOKGWSA-N 1 0 368.393 2.360 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000106937517 325616545 /nfs/dbraw/zinc/61/65/45/325616545.db2.gz USXODIIOJDLTQF-MRXNPFEDSA-N 1 0 361.446 2.147 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000108368547 325640789 /nfs/dbraw/zinc/64/07/89/325640789.db2.gz OXLSBJHXCCXIQN-UHFFFAOYSA-N 1 0 364.446 2.394 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000109986931 325681591 /nfs/dbraw/zinc/68/15/91/325681591.db2.gz ZWBCAQIBUXMPPH-ZDUSSCGKSA-N 1 0 372.425 2.288 20 5 FEBDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867114 326109941 /nfs/dbraw/zinc/10/99/41/326109941.db2.gz FEGMSIQSCVICIF-MRXNPFEDSA-N 1 0 369.425 2.378 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000118868346 326110042 /nfs/dbraw/zinc/11/00/42/326110042.db2.gz IZDBCXCIVDCMKN-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000119274962 326144396 /nfs/dbraw/zinc/14/43/96/326144396.db2.gz GORFVCYVDAVWCE-GFCCVEGCSA-N 1 0 370.413 2.121 20 5 FEBDRO CCC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000121648202 326354941 /nfs/dbraw/zinc/35/49/41/326354941.db2.gz FLEBFNPVVQIXFK-INIZCTEOSA-N 1 0 351.447 2.406 20 5 FEBDRO COc1cc(CN2CCN(Cc3ccccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000121951654 326377756 /nfs/dbraw/zinc/37/77/56/326377756.db2.gz ALZHCVBRFKJLOX-UHFFFAOYSA-N 1 0 372.425 2.325 20 5 FEBDRO CCC[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121998815 326379888 /nfs/dbraw/zinc/37/98/88/326379888.db2.gz OGDSZIINQMENAB-KRWDZBQOSA-N 1 0 351.447 2.406 20 5 FEBDRO CC(C)C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000129485799 326541433 /nfs/dbraw/zinc/54/14/33/326541433.db2.gz DZKLVRLGPWRTQO-LBPRGKRZSA-N 1 0 357.842 2.148 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000130105445 326551419 /nfs/dbraw/zinc/55/14/19/326551419.db2.gz DEBZKGKVNGASMS-OAHLLOKOSA-N 1 0 363.462 2.298 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000132347552 326591081 /nfs/dbraw/zinc/59/10/81/326591081.db2.gz GBBGDISCEURWHU-IBGZPJMESA-N 1 0 355.394 2.265 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000153467573 326733647 /nfs/dbraw/zinc/73/36/47/326733647.db2.gz NONSEFNGJZDMPX-KRWDZBQOSA-N 1 0 367.471 2.375 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000154623295 326764797 /nfs/dbraw/zinc/76/47/97/326764797.db2.gz VNODKNLCMGCHKF-UHFFFAOYSA-N 1 0 361.373 2.491 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cn2)CC1 ZINC000154894590 326771854 /nfs/dbraw/zinc/77/18/54/326771854.db2.gz SCXFIXVHTCNSIK-UHFFFAOYSA-N 1 0 371.397 2.297 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160132849 326954343 /nfs/dbraw/zinc/95/43/43/326954343.db2.gz XMYACSYDSZCMPW-CQSZACIVSA-N 1 0 353.444 2.234 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)c1ccsc1 ZINC000161969796 327013630 /nfs/dbraw/zinc/01/36/30/327013630.db2.gz NXWZJBSOXHZSNT-LBPRGKRZSA-N 1 0 351.432 2.203 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162185416 327019247 /nfs/dbraw/zinc/01/92/47/327019247.db2.gz QPZFSFQSUZYHLA-AWEZNQCLSA-N 1 0 371.441 2.490 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000164713369 327073404 /nfs/dbraw/zinc/07/34/04/327073404.db2.gz SAQAKSBZZLHEMG-GFCCVEGCSA-N 1 0 365.411 2.210 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000172015672 327176344 /nfs/dbraw/zinc/17/63/44/327176344.db2.gz QGUWNQCXJKUJEQ-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000172485185 327203622 /nfs/dbraw/zinc/20/36/22/327203622.db2.gz AUMPGGCGFNOZAS-WBVHZDCISA-N 1 0 371.441 2.303 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173256926 327244529 /nfs/dbraw/zinc/24/45/29/327244529.db2.gz GGWYUQHCZPLHJD-ZIAGYGMSSA-N 1 0 355.460 2.254 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173264004 327245085 /nfs/dbraw/zinc/24/50/85/327245085.db2.gz COMNPTHEIYKAHK-UKRRQHHQSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000173671327 327275342 /nfs/dbraw/zinc/27/53/42/327275342.db2.gz QOJUJTYHZOXBDY-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000173867487 327289757 /nfs/dbraw/zinc/28/97/57/327289757.db2.gz OFKPAJSQGNECCL-MRXNPFEDSA-N 1 0 367.471 2.279 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173952143 327297212 /nfs/dbraw/zinc/29/72/12/327297212.db2.gz LNEASLYBGFSGJQ-HNNXBMFYSA-N 1 0 355.460 2.088 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000174024196 327302410 /nfs/dbraw/zinc/30/24/10/327302410.db2.gz FMEJQVZCMCADKF-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO CCc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000174255467 327315572 /nfs/dbraw/zinc/31/55/72/327315572.db2.gz YQOOYAUHRHEWJU-CQSZACIVSA-N 1 0 361.442 2.388 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c([N+](=O)[O-])cc1OC ZINC000174508588 327331519 /nfs/dbraw/zinc/33/15/19/327331519.db2.gz MIMSOWCFGSZXAH-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732964 327346713 /nfs/dbraw/zinc/34/67/13/327346713.db2.gz RLQANRYEYCVARS-GWCFXTLKSA-N 1 0 356.329 2.104 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000175077924 327372640 /nfs/dbraw/zinc/37/26/40/327372640.db2.gz FXCJTSIDHXRGGT-VXGBXAGGSA-N 1 0 361.851 2.399 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000175213313 327380201 /nfs/dbraw/zinc/38/02/01/327380201.db2.gz GVWRBQUKTCFSIK-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175398308 327390774 /nfs/dbraw/zinc/39/07/74/327390774.db2.gz ABTCALYLDLHBTL-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO CC(C)(NC(=O)NCCN1CCOCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000175499203 327396213 /nfs/dbraw/zinc/39/62/13/327396213.db2.gz OFTVJRGIPILZJT-UHFFFAOYSA-N 1 0 364.446 2.240 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000177499456 327526767 /nfs/dbraw/zinc/52/67/67/327526767.db2.gz KDBFWSYALHOQBC-RHSMWYFYSA-N 1 0 357.414 2.383 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261629764 328806975 /nfs/dbraw/zinc/80/69/75/328806975.db2.gz HLTMTJICAWGNMV-JRKPZEMJSA-N 1 0 356.220 2.474 20 5 FEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261834520 328823125 /nfs/dbraw/zinc/82/31/25/328823125.db2.gz PAJGMWOIOYROCJ-IYBDPMFKSA-N 1 0 358.442 2.267 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261836697 328823443 /nfs/dbraw/zinc/82/34/43/328823443.db2.gz UEUOXZKJWBTKLS-GOSISDBHSA-N 1 0 369.425 2.273 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262807656 328891274 /nfs/dbraw/zinc/89/12/74/328891274.db2.gz ONLDZVBVXDHTRZ-NOZJJQNGSA-N 1 0 356.220 2.014 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263640395 328948142 /nfs/dbraw/zinc/94/81/42/328948142.db2.gz AJNDANGPLRILES-CYBMUJFWSA-N 1 0 365.459 2.279 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264617563 329041306 /nfs/dbraw/zinc/04/13/06/329041306.db2.gz RKERTYWCJFDKTO-CYBMUJFWSA-N 1 0 371.441 2.447 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264651919 329044651 /nfs/dbraw/zinc/04/46/51/329044651.db2.gz XHHDIDKVIPZDCK-MRXNPFEDSA-N 1 0 362.430 2.373 20 5 FEBDRO COC(=O)[C@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265016797 329083508 /nfs/dbraw/zinc/08/35/08/329083508.db2.gz GLPQTQKVTQZSBH-CYBMUJFWSA-N 1 0 361.398 2.199 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000265018406 329083516 /nfs/dbraw/zinc/08/35/16/329083516.db2.gz RUOITGGHLHVCTN-LBPRGKRZSA-N 1 0 351.403 2.026 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000265914382 329172271 /nfs/dbraw/zinc/17/22/71/329172271.db2.gz ABSILHFANFIIMJ-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920581 329172732 /nfs/dbraw/zinc/17/27/32/329172732.db2.gz CAQIJLIYKIAPRA-WCQYABFASA-N 1 0 351.403 2.167 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCO1 ZINC000266292174 329208602 /nfs/dbraw/zinc/20/86/02/329208602.db2.gz IPJFUMHXNQHTPB-LLVKDONJSA-N 1 0 361.320 2.016 20 5 FEBDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266770347 329258318 /nfs/dbraw/zinc/25/83/18/329258318.db2.gz JESKMPASQROVNF-IINYFYTJSA-N 1 0 358.320 2.429 20 5 FEBDRO CC[C@@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000266825893 329263486 /nfs/dbraw/zinc/26/34/86/329263486.db2.gz LNFHBZCFDPKIQD-AWEZNQCLSA-N 1 0 367.446 2.391 20 5 FEBDRO CN(c1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266847938 329265488 /nfs/dbraw/zinc/26/54/88/329265488.db2.gz POSOXTDBFHPFHC-OAHLLOKOSA-N 1 0 369.425 2.190 20 5 FEBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266966364 329277944 /nfs/dbraw/zinc/27/79/44/329277944.db2.gz ZSDLGIMENJKSMX-GXTWGEPZSA-N 1 0 353.423 2.026 20 5 FEBDRO C[NH+](C)[C@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCSC1 ZINC000267041805 329285784 /nfs/dbraw/zinc/28/57/84/329285784.db2.gz CSIXFWDUTIEKAY-INIZCTEOSA-N 1 0 350.444 2.329 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267107031 329292516 /nfs/dbraw/zinc/29/25/16/329292516.db2.gz MGODRKCSMLRIQZ-OAHLLOKOSA-N 1 0 355.485 2.240 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267193144 329301405 /nfs/dbraw/zinc/30/14/05/329301405.db2.gz BWOXLLFXNJUUPR-UHFFFAOYSA-N 1 0 360.414 2.097 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267229048 329304417 /nfs/dbraw/zinc/30/44/17/329304417.db2.gz WBEIRBQPPHZKAW-MRXNPFEDSA-N 1 0 352.460 2.174 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1O ZINC000269121980 329487896 /nfs/dbraw/zinc/48/78/96/329487896.db2.gz GABJKMKTDOYHPG-MLGOLLRUSA-N 1 0 354.428 2.453 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@@H]1[NH3+] ZINC000269234906 329498983 /nfs/dbraw/zinc/49/89/83/329498983.db2.gz BGXCXYJWVSMTBT-XCBNKYQSSA-N 1 0 360.183 2.306 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000272346715 329772479 /nfs/dbraw/zinc/77/24/79/329772479.db2.gz XQKAJVSBTYSVSE-IUCAKERBSA-N 1 0 359.329 2.014 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272565992 329792539 /nfs/dbraw/zinc/79/25/39/329792539.db2.gz QJAFFEYTCCIBDI-UHFFFAOYSA-N 1 0 361.427 2.204 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000272980832 329827943 /nfs/dbraw/zinc/82/79/43/329827943.db2.gz QKQXTVCEHKZODO-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCN(c3ccccc3)CC2)nc1 ZINC000273661297 329882519 /nfs/dbraw/zinc/88/25/19/329882519.db2.gz WBLLVKHCSLSEFO-UHFFFAOYSA-N 1 0 356.430 2.399 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275461344 330051209 /nfs/dbraw/zinc/05/12/09/330051209.db2.gz NHTMZDZWYHXDOW-HNNXBMFYSA-N 1 0 351.403 2.025 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000275765878 330086355 /nfs/dbraw/zinc/08/63/55/330086355.db2.gz PJDAVHJQLJYNFW-UHFFFAOYSA-N 1 0 366.418 2.226 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)CC1 ZINC000276387416 330147476 /nfs/dbraw/zinc/14/74/76/330147476.db2.gz ZLQKSBRKBWHSLS-CQSZACIVSA-N 1 0 367.471 2.166 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821022 330208059 /nfs/dbraw/zinc/20/80/59/330208059.db2.gz SLDRKOSWJANOFC-MAUKXSAKSA-N 1 0 371.441 2.160 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367031115 330209151 /nfs/dbraw/zinc/20/91/51/330209151.db2.gz UNHHDUWUDRTBKR-WMLDXEAASA-N 1 0 374.441 2.222 20 5 FEBDRO CCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369329610 330240192 /nfs/dbraw/zinc/24/01/92/330240192.db2.gz MSNFCPGSUMHHCN-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000426251804 330272197 /nfs/dbraw/zinc/27/21/97/330272197.db2.gz MNVLPKNZNREHSZ-UHFFFAOYSA-N 1 0 373.356 2.024 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352487 545620955 /nfs/dbraw/zinc/62/09/55/545620955.db2.gz MIBHCNCWVPQFJK-OAHLLOKOSA-N 1 0 356.382 2.472 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000157306362 545726204 /nfs/dbraw/zinc/72/62/04/545726204.db2.gz QFWBOVPZEVXOOU-IUODEOHRSA-N 1 0 351.378 2.055 20 5 FEBDRO COc1ccc([C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000158978903 545910127 /nfs/dbraw/zinc/91/01/27/545910127.db2.gz SCSPOEFZKJMKRF-OAHLLOKOSA-N 1 0 373.413 2.284 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000159731610 545976120 /nfs/dbraw/zinc/97/61/20/545976120.db2.gz XRIZKPDYRUEKTA-OAHLLOKOSA-N 1 0 363.439 2.499 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827424 545983899 /nfs/dbraw/zinc/98/38/99/545983899.db2.gz PQUWCRPRGYSSIF-DLBZAZTESA-N 1 0 362.474 2.343 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000478727826 561173683 /nfs/dbraw/zinc/17/36/83/561173683.db2.gz VWQJMPUMLOYMST-MRXNPFEDSA-N 1 0 370.409 2.007 20 5 FEBDRO CC1(C)CN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000171766232 546224373 /nfs/dbraw/zinc/22/43/73/546224373.db2.gz AHLISGDCESHCPO-UHFFFAOYSA-N 1 0 359.373 2.397 20 5 FEBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174657627 546301947 /nfs/dbraw/zinc/30/19/47/546301947.db2.gz ZCZIUGPFQUGVAZ-CQSZACIVSA-N 1 0 358.320 2.303 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000175577364 546313682 /nfs/dbraw/zinc/31/36/82/546313682.db2.gz WSVYMFLTRGSKSM-QGZVFWFLSA-N 1 0 365.430 2.013 20 5 FEBDRO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C[NH+](C)C ZINC000479765190 561196672 /nfs/dbraw/zinc/19/66/72/561196672.db2.gz UUQLWNCRPMJRDA-NSHDSACASA-N 1 0 351.403 2.072 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788459 546350820 /nfs/dbraw/zinc/35/08/20/546350820.db2.gz KMHXIZOKUQCDJH-HNNXBMFYSA-N 1 0 371.441 2.474 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177540321 546640043 /nfs/dbraw/zinc/64/00/43/546640043.db2.gz ZEMMABGOQVPBID-NEPJUHHUSA-N 1 0 351.403 2.215 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177762659 546682003 /nfs/dbraw/zinc/68/20/03/546682003.db2.gz MMUHMOANZUSMDX-UONOGXRCSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000178006753 546721792 /nfs/dbraw/zinc/72/17/92/546721792.db2.gz GRAVQRDXCDQOEH-GFCCVEGCSA-N 1 0 353.400 2.125 20 5 FEBDRO CC(C)([NH3+])CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178333100 546777493 /nfs/dbraw/zinc/77/74/93/546777493.db2.gz BNYUGUVNWGFVEK-UHFFFAOYSA-N 1 0 374.363 2.390 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000178989965 546883743 /nfs/dbraw/zinc/88/37/43/546883743.db2.gz SQQUAUBXTOSVTD-NSHDSACASA-N 1 0 374.363 2.484 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737327 561240356 /nfs/dbraw/zinc/24/03/56/561240356.db2.gz CWZZAJTVSJGLJO-GDBMZVCRSA-N 1 0 352.387 2.016 20 5 FEBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000180062449 547045062 /nfs/dbraw/zinc/04/50/62/547045062.db2.gz SDIFUQQRBNWKGJ-HNNXBMFYSA-N 1 0 355.822 2.221 20 5 FEBDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000180356810 547090675 /nfs/dbraw/zinc/09/06/75/547090675.db2.gz HKXBSWRHUAXKCC-UHFFFAOYSA-N 1 0 365.411 2.135 20 5 FEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180529623 547125194 /nfs/dbraw/zinc/12/51/94/547125194.db2.gz IDRANUKRJGRLDX-UHFFFAOYSA-N 1 0 357.414 2.342 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000482752525 561259577 /nfs/dbraw/zinc/25/95/77/561259577.db2.gz DMJGQTDDWPNKIF-CYBMUJFWSA-N 1 0 354.407 2.082 20 5 FEBDRO CCCOc1ccc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000483260846 561272076 /nfs/dbraw/zinc/27/20/76/561272076.db2.gz DABKEPSXVYWIHF-MRXNPFEDSA-N 1 0 362.430 2.466 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181299385 547289231 /nfs/dbraw/zinc/28/92/31/547289231.db2.gz ZPORLGRAPYERQN-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181479264 547320803 /nfs/dbraw/zinc/32/08/03/547320803.db2.gz VBYXLSHQZKBGSL-UKRRQHHQSA-N 1 0 363.462 2.259 20 5 FEBDRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000181821055 547386648 /nfs/dbraw/zinc/38/66/48/547386648.db2.gz FMCJXQYGHGEXCE-BNLOLNQZSA-N 1 0 365.430 2.258 20 5 FEBDRO COc1ccc(OCC[NH2+][C@H](CC(N)=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182019267 547423171 /nfs/dbraw/zinc/42/31/71/547423171.db2.gz RNVUTJCGTQEAPM-OAHLLOKOSA-N 1 0 365.430 2.396 20 5 FEBDRO NC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182077304 547433465 /nfs/dbraw/zinc/43/34/65/547433465.db2.gz BSMWPIHJNMXWQO-HNNXBMFYSA-N 1 0 362.430 2.337 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767628 547549936 /nfs/dbraw/zinc/54/99/36/547549936.db2.gz RMSLLGSAWSDGAD-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182850996 547562004 /nfs/dbraw/zinc/56/20/04/547562004.db2.gz NUNJJZURVKYPKM-YJBOKZPZSA-N 1 0 360.458 2.203 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204091 547619809 /nfs/dbraw/zinc/61/98/09/547619809.db2.gz MGOHDDHIHXABQA-QWRGUYRKSA-N 1 0 360.357 2.450 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183293636 547633899 /nfs/dbraw/zinc/63/38/99/547633899.db2.gz XLLJXVJEKISBON-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000183331532 547638927 /nfs/dbraw/zinc/63/89/27/547638927.db2.gz QHWIDYKCZRRRBX-UHFFFAOYSA-N 1 0 374.485 2.279 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183453183 547663295 /nfs/dbraw/zinc/66/32/95/547663295.db2.gz FFYUYRVKZBEBAK-GOSISDBHSA-N 1 0 369.421 2.020 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000183459318 547664388 /nfs/dbraw/zinc/66/43/88/547664388.db2.gz HQEVWEKIZTWOQC-DXCKQFNASA-N 1 0 365.430 2.280 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484615636 561301319 /nfs/dbraw/zinc/30/13/19/561301319.db2.gz FFNMYPPKKSEXRF-GDBMZVCRSA-N 1 0 351.403 2.015 20 5 FEBDRO CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000183770043 547717527 /nfs/dbraw/zinc/71/75/27/547717527.db2.gz FWYMMMZQDAZGSC-SFHVURJKSA-N 1 0 370.453 2.353 20 5 FEBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000484647330 561302204 /nfs/dbraw/zinc/30/22/04/561302204.db2.gz BVCMFMZOUBNRAE-ZIFCJYIRSA-N 1 0 374.441 2.440 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000484670064 561303077 /nfs/dbraw/zinc/30/30/77/561303077.db2.gz NHOBBTKAYJSKCW-WCQYABFASA-N 1 0 353.444 2.032 20 5 FEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000184189560 547783108 /nfs/dbraw/zinc/78/31/08/547783108.db2.gz OECCRUSFFPJBPK-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184267772 547797368 /nfs/dbraw/zinc/79/73/68/547797368.db2.gz ZXERKSDGGMQRFS-UHFFFAOYSA-N 1 0 357.414 2.296 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000184287931 547800546 /nfs/dbraw/zinc/80/05/46/547800546.db2.gz GDZOPZOLYKBFLN-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000184449961 547828681 /nfs/dbraw/zinc/82/86/81/547828681.db2.gz JAUKUPKMBOWNAV-JQWIXIFHSA-N 1 0 353.448 2.257 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000184484754 547834228 /nfs/dbraw/zinc/83/42/28/547834228.db2.gz LZZQBQZIPSQKQV-HNNXBMFYSA-N 1 0 362.430 2.398 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1 ZINC000485117596 561313134 /nfs/dbraw/zinc/31/31/34/561313134.db2.gz JWWCPGGALZETPX-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000186417925 548132364 /nfs/dbraw/zinc/13/23/64/548132364.db2.gz DUULUDRIIDBPSU-KRWDZBQOSA-N 1 0 369.425 2.411 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485910242 561332184 /nfs/dbraw/zinc/33/21/84/561332184.db2.gz ZCCIRDJMAUBUAD-ZDUSSCGKSA-N 1 0 364.446 2.467 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186769547 548188594 /nfs/dbraw/zinc/18/85/94/548188594.db2.gz RYBSKVIDIYJOEC-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO COc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000193972205 548415957 /nfs/dbraw/zinc/41/59/57/548415957.db2.gz DEIGTLAMEJVNQR-UHFFFAOYSA-N 1 0 371.459 2.145 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486514751 561349594 /nfs/dbraw/zinc/34/95/94/561349594.db2.gz FFHTVZBRHKOMLY-OAHLLOKOSA-N 1 0 350.419 2.085 20 5 FEBDRO CC[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1CCOC ZINC000486931657 561359901 /nfs/dbraw/zinc/35/99/01/561359901.db2.gz FTCDVDAWUQMBDL-AWEZNQCLSA-N 1 0 361.402 2.192 20 5 FEBDRO COc1ccc(OCC[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195311034 548619254 /nfs/dbraw/zinc/61/92/54/548619254.db2.gz VCTFFEKEIJWZKD-GASCZTMLSA-N 1 0 367.446 2.023 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237241832 548811215 /nfs/dbraw/zinc/81/12/15/548811215.db2.gz AWCJGQQDAGPRPC-FOSCPWQOSA-N 1 0 373.862 2.460 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237235490 548811225 /nfs/dbraw/zinc/81/12/25/548811225.db2.gz VPDHBIUSAMWERT-VIFPVBQESA-N 1 0 359.329 2.016 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237322180 548817317 /nfs/dbraw/zinc/81/73/17/548817317.db2.gz VWSVMPXWPPJQNG-NEPJUHHUSA-N 1 0 350.375 2.319 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC([NH3+])CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000237635680 548841907 /nfs/dbraw/zinc/84/19/07/548841907.db2.gz WELZBNGXAZEODA-UHFFFAOYSA-N 1 0 357.414 2.020 20 5 FEBDRO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237894606 548862430 /nfs/dbraw/zinc/86/24/30/548862430.db2.gz NYTZSOMJVKBFSN-LBPRGKRZSA-N 1 0 372.347 2.014 20 5 FEBDRO O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237974497 548868843 /nfs/dbraw/zinc/86/88/43/548868843.db2.gz VDFCQGRVTVWAIB-JYJNAYRXSA-N 1 0 358.442 2.164 20 5 FEBDRO [NH3+]CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000238066649 548875415 /nfs/dbraw/zinc/87/54/15/548875415.db2.gz LGHQYKXGAIXXMA-UHFFFAOYSA-N 1 0 374.363 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440757 548921116 /nfs/dbraw/zinc/92/11/16/548921116.db2.gz UWFYOGDQETUCJM-BBRMVZONSA-N 1 0 364.446 2.204 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487998460 561380861 /nfs/dbraw/zinc/38/08/61/561380861.db2.gz HSHLIKAWVOSXBF-INIZCTEOSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246038037 549040327 /nfs/dbraw/zinc/04/03/27/549040327.db2.gz AZRWXCJAUOXMSN-ZFWWWQNUSA-N 1 0 355.460 2.254 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246054289 549041932 /nfs/dbraw/zinc/04/19/32/549041932.db2.gz XQGUWSZBQZVXJT-BXUZGUMPSA-N 1 0 363.443 2.203 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246086074 549048536 /nfs/dbraw/zinc/04/85/36/549048536.db2.gz GGWYUQHCZPLHJD-KBPBESRZSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246118461 549056815 /nfs/dbraw/zinc/05/68/15/549056815.db2.gz IWENRHNRMHNGFS-ZYHUDNBSSA-N 1 0 361.851 2.209 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246378708 549119537 /nfs/dbraw/zinc/11/95/37/549119537.db2.gz NEGXEEHPPPKMLY-NEPJUHHUSA-N 1 0 354.838 2.459 20 5 FEBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246814679 549218965 /nfs/dbraw/zinc/21/89/65/549218965.db2.gz SDHFRMUZMVPBTJ-RVKKMQEKSA-N 1 0 361.442 2.238 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000246960748 549251559 /nfs/dbraw/zinc/25/15/59/549251559.db2.gz BQKKXQNWMJQSKH-CABCVRRESA-N 1 0 374.441 2.179 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000247154184 549291356 /nfs/dbraw/zinc/29/13/56/549291356.db2.gz KEPYHBMIPFFWNH-TZMCWYRMSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247634135 549367250 /nfs/dbraw/zinc/36/72/50/549367250.db2.gz TYLAHUYKCMSXAD-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247653273 549369137 /nfs/dbraw/zinc/36/91/37/549369137.db2.gz WRGSEPJRQGGIQE-AAEUAGOBSA-N 1 0 373.862 2.353 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247687148 549371743 /nfs/dbraw/zinc/37/17/43/549371743.db2.gz SGAHHYFCFUHKHK-QGPMSJSTSA-N 1 0 360.414 2.114 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000489325755 561408228 /nfs/dbraw/zinc/40/82/28/561408228.db2.gz JONAKMVKTNYMMG-MRXNPFEDSA-N 1 0 363.414 2.184 20 5 FEBDRO CC(C)CCO[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248453343 549440762 /nfs/dbraw/zinc/44/07/62/549440762.db2.gz JXOZPOXZTYBMBG-CVEARBPZSA-N 1 0 352.431 2.472 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000248473711 549447896 /nfs/dbraw/zinc/44/78/96/549447896.db2.gz LCWXHGXICRXFQJ-SWLSCSKDSA-N 1 0 371.434 2.147 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000248621902 549470757 /nfs/dbraw/zinc/47/07/57/549470757.db2.gz NCQZSFBRXASKMC-VHRBIJSZSA-N 1 0 368.231 2.096 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248918123 549528317 /nfs/dbraw/zinc/52/83/17/549528317.db2.gz WIHHHAQWLMASHY-PBHICJAKSA-N 1 0 371.441 2.127 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000489602458 561415335 /nfs/dbraw/zinc/41/53/35/561415335.db2.gz JBHZOUWLSZXXEJ-CYBMUJFWSA-N 1 0 352.460 2.312 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249128498 549557233 /nfs/dbraw/zinc/55/72/33/549557233.db2.gz CSDYSGUWPSCBDQ-GXTWGEPZSA-N 1 0 362.430 2.091 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000249299469 549578781 /nfs/dbraw/zinc/57/87/81/549578781.db2.gz CMNOCDFFNSYAKA-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO CS[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000490860394 561439394 /nfs/dbraw/zinc/43/93/94/561439394.db2.gz ROROUIMRCZDAST-HUUCEWRRSA-N 1 0 351.472 2.376 20 5 FEBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000269590763 550208742 /nfs/dbraw/zinc/20/87/42/550208742.db2.gz DOUAGRDAQUOTQS-UHFFFAOYSA-N 1 0 358.398 2.237 20 5 FEBDRO COC(=O)CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000493320565 561455372 /nfs/dbraw/zinc/45/53/72/561455372.db2.gz MGSHHMYIYAFFMO-UHFFFAOYSA-N 1 0 363.414 2.005 20 5 FEBDRO CC(C)N1CC[NH+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270633446 550291096 /nfs/dbraw/zinc/29/10/96/550291096.db2.gz ORYIANIHBOMBSK-UHFFFAOYSA-N 1 0 374.485 2.154 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000272285660 550434766 /nfs/dbraw/zinc/43/47/66/550434766.db2.gz YZFIQZROELWUCG-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486026 550452437 /nfs/dbraw/zinc/45/24/37/550452437.db2.gz RMEKRDNZRBGWET-ZFWWWQNUSA-N 1 0 355.398 2.085 20 5 FEBDRO Cn1ccnc1[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566944 550458123 /nfs/dbraw/zinc/45/81/23/550458123.db2.gz VFXFBHPWSVTLHS-KBXCAEBGSA-N 1 0 355.442 2.492 20 5 FEBDRO COc1cc(CNCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272653125 550463064 /nfs/dbraw/zinc/46/30/64/550463064.db2.gz QDXZBBVAGSYGJO-UHFFFAOYSA-N 1 0 359.373 2.433 20 5 FEBDRO CCc1nn(C)c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273266034 550492159 /nfs/dbraw/zinc/49/21/59/550492159.db2.gz WIICZLKPJZEKQV-HNNXBMFYSA-N 1 0 359.430 2.069 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000273409588 550497680 /nfs/dbraw/zinc/49/76/80/550497680.db2.gz IKXQVCJXFFONIO-CYBMUJFWSA-N 1 0 355.460 2.087 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000273457212 550499306 /nfs/dbraw/zinc/49/93/06/550499306.db2.gz MFWFZYTXKQQJKV-CYBMUJFWSA-N 1 0 354.382 2.092 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)ccc1=O ZINC000273465174 550499573 /nfs/dbraw/zinc/49/95/73/550499573.db2.gz NOAYQHFOANYJPS-UHFFFAOYSA-N 1 0 363.349 2.101 20 5 FEBDRO Cc1cc(N2CC[C@H](NC(=O)NC3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000273944403 550516744 /nfs/dbraw/zinc/51/67/44/550516744.db2.gz MCRFGTOKHFABLO-ZDUSSCGKSA-N 1 0 355.398 2.492 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000274832275 550558270 /nfs/dbraw/zinc/55/82/70/550558270.db2.gz VBLXVROILPDMRZ-OAHLLOKOSA-N 1 0 356.382 2.138 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274913547 550564345 /nfs/dbraw/zinc/56/43/45/550564345.db2.gz KGYQPFXOWLXULL-HNNXBMFYSA-N 1 0 357.414 2.267 20 5 FEBDRO COC(=O)c1cnc(NC[C@](C)([NH3+])Cc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000276825332 550600307 /nfs/dbraw/zinc/60/03/07/550600307.db2.gz ULLFTNYLGZKXTI-GOSISDBHSA-N 1 0 374.397 2.157 20 5 FEBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836086 550601376 /nfs/dbraw/zinc/60/13/76/550601376.db2.gz VTPZDADCTXEEQQ-IUODEOHRSA-N 1 0 360.414 2.230 20 5 FEBDRO CCOc1cc(CN2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000276965526 550616355 /nfs/dbraw/zinc/61/63/55/550616355.db2.gz WADCOLJBWGUWML-UHFFFAOYSA-N 1 0 351.447 2.272 20 5 FEBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000277068679 550628251 /nfs/dbraw/zinc/62/82/51/550628251.db2.gz DRRCMGKHVPJQFA-WFASDCNBSA-N 1 0 358.485 2.488 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277420217 550668408 /nfs/dbraw/zinc/66/84/08/550668408.db2.gz CULHWVPVPZUIGM-ZDUSSCGKSA-N 1 0 361.398 2.113 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277618888 550692513 /nfs/dbraw/zinc/69/25/13/550692513.db2.gz WIDUICKPUPGFGO-OAHLLOKOSA-N 1 0 362.430 2.420 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086745 550747498 /nfs/dbraw/zinc/74/74/98/550747498.db2.gz HVAICDMDWIDWAF-CYBMUJFWSA-N 1 0 374.445 2.391 20 5 FEBDRO CC(C)[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCC1 ZINC000278132658 550752770 /nfs/dbraw/zinc/75/27/70/550752770.db2.gz NBFKNAMYRATKPO-MRXNPFEDSA-N 1 0 374.445 2.391 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278196199 550759535 /nfs/dbraw/zinc/75/95/35/550759535.db2.gz PIBAITMZUWMLIL-ZDUSSCGKSA-N 1 0 360.418 2.145 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278216164 550761817 /nfs/dbraw/zinc/76/18/17/550761817.db2.gz RNPBDPZTAGXAEZ-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278495681 550792552 /nfs/dbraw/zinc/79/25/52/550792552.db2.gz AAHZNUZEOPYDTR-ATZDWAIDSA-N 1 0 371.437 2.421 20 5 FEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000279133837 550857623 /nfs/dbraw/zinc/85/76/23/550857623.db2.gz WOIKEQHVGVXCJD-CVEARBPZSA-N 1 0 351.403 2.015 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000279244620 550869136 /nfs/dbraw/zinc/86/91/36/550869136.db2.gz QUSFNDQYOZCGCG-UONOGXRCSA-N 1 0 350.394 2.157 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000279342877 550879781 /nfs/dbraw/zinc/87/97/81/550879781.db2.gz PXHUDKWANMJAFF-YVEFUNNKSA-N 1 0 363.414 2.431 20 5 FEBDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000279672470 550915415 /nfs/dbraw/zinc/91/54/15/550915415.db2.gz FQFQVZPGDQMKSI-RDJZCZTQSA-N 1 0 361.421 2.373 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355259 550984397 /nfs/dbraw/zinc/98/43/97/550984397.db2.gz JJPZAFVWYWDYEC-ACJLOTCBSA-N 1 0 363.414 2.112 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280986085 551052246 /nfs/dbraw/zinc/05/22/46/551052246.db2.gz PYBGDFZTQWBQJW-UHFFFAOYSA-N 1 0 372.425 2.355 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281010082 551054614 /nfs/dbraw/zinc/05/46/14/551054614.db2.gz OOTOEAXCRBUESK-KRWDZBQOSA-N 1 0 374.441 2.447 20 5 FEBDRO NC(=O)c1cnn2c1C[C@@H](C[NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000281316314 551084013 /nfs/dbraw/zinc/08/40/13/551084013.db2.gz ZLQFMEGENWRBHE-YVEFUNNKSA-N 1 0 369.425 2.120 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281523803 551108893 /nfs/dbraw/zinc/10/88/93/551108893.db2.gz VSMVKFTZZQQFHR-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000282803430 551272200 /nfs/dbraw/zinc/27/22/00/551272200.db2.gz QWELMBAGUCEXJS-SUFBMKPHSA-N 1 0 363.414 2.361 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000283112067 551313378 /nfs/dbraw/zinc/31/33/78/551313378.db2.gz MJWMMZRJJFOGIL-VXGBXAGGSA-N 1 0 367.402 2.109 20 5 FEBDRO Cc1cc(NCC2(OCCO)CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000283335780 551349727 /nfs/dbraw/zinc/34/97/27/551349727.db2.gz AQCKOEROHLELMU-UHFFFAOYSA-N 1 0 361.398 2.421 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC[NH+](C)C)OCC)c1 ZINC000284355777 551531529 /nfs/dbraw/zinc/53/15/29/551531529.db2.gz KJJJCOQIIRGGEV-AWEZNQCLSA-N 1 0 353.419 2.080 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000498566275 561528615 /nfs/dbraw/zinc/52/86/15/561528615.db2.gz DQFWDDXETAGUKE-NEPJUHHUSA-N 1 0 358.398 2.403 20 5 FEBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285028713 551692881 /nfs/dbraw/zinc/69/28/81/551692881.db2.gz ZZNFLPWYBIAESJ-OAHLLOKOSA-N 1 0 363.414 2.342 20 5 FEBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nncn1C ZINC000285227468 551723432 /nfs/dbraw/zinc/72/34/32/551723432.db2.gz AVTYANAMUYRSIS-HNNXBMFYSA-N 1 0 364.381 2.178 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285319290 551737246 /nfs/dbraw/zinc/73/72/46/551737246.db2.gz RDMKOXGZWQUQPF-CFSAUIFESA-N 1 0 365.817 2.193 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359180 551743616 /nfs/dbraw/zinc/74/36/16/551743616.db2.gz QDPDKKPJYGPAQK-WMLDXEAASA-N 1 0 367.471 2.026 20 5 FEBDRO Cn1cc(C[NH2+]CCC2(O)CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000285384252 551747495 /nfs/dbraw/zinc/74/74/95/551747495.db2.gz DBDYMNSGWLUZBZ-UHFFFAOYSA-N 1 0 360.414 2.017 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@]4(CCCOC4)C3)o2)cc1 ZINC000285401285 551750015 /nfs/dbraw/zinc/75/00/15/551750015.db2.gz TZYYGDYLRKKSHV-QGZVFWFLSA-N 1 0 360.370 2.026 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453166 551758948 /nfs/dbraw/zinc/75/89/48/551758948.db2.gz GKGWOZRPKTWUKW-LJQANCHMSA-N 1 0 355.442 2.389 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000285981297 551834666 /nfs/dbraw/zinc/83/46/66/551834666.db2.gz BXGAHXSUUCIFTI-UHFFFAOYSA-N 1 0 363.414 2.484 20 5 FEBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000286009916 551837812 /nfs/dbraw/zinc/83/78/12/551837812.db2.gz JGASZGCZBCULGA-GOSISDBHSA-N 1 0 373.409 2.401 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286366410 551879325 /nfs/dbraw/zinc/87/93/25/551879325.db2.gz CJJBCGURGTXLEO-BBRMVZONSA-N 1 0 362.430 2.372 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286436441 551885053 /nfs/dbraw/zinc/88/50/53/551885053.db2.gz NYBOHOWYHUHRGX-GXTWGEPZSA-N 1 0 353.444 2.061 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954757 551944507 /nfs/dbraw/zinc/94/45/07/551944507.db2.gz HOZLICXRFSCCOM-CHWSQXEVSA-N 1 0 356.444 2.469 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287488040 552010600 /nfs/dbraw/zinc/01/06/00/552010600.db2.gz SPXYBOVXDLIPHD-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000287505309 552013071 /nfs/dbraw/zinc/01/30/71/552013071.db2.gz URHTVVNYIQBNPE-QGZVFWFLSA-N 1 0 360.458 2.404 20 5 FEBDRO CCc1nn(C)c(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000288062768 552083530 /nfs/dbraw/zinc/08/35/30/552083530.db2.gz GDILPHOYFNDWSC-UHFFFAOYSA-N 1 0 372.473 2.250 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384554 552144593 /nfs/dbraw/zinc/14/45/93/552144593.db2.gz LYRMHICTUHBITL-STQMWFEESA-N 1 0 361.398 2.065 20 5 FEBDRO CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288476634 552159842 /nfs/dbraw/zinc/15/98/42/552159842.db2.gz NABLCWYTUJZARW-ONXXMXGDSA-N 1 0 372.429 2.238 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000499927569 561561999 /nfs/dbraw/zinc/56/19/99/561561999.db2.gz JYSIMYGQULWNLW-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000289893936 552395482 /nfs/dbraw/zinc/39/54/82/552395482.db2.gz TYLFVOZDGFLLBY-CHWSQXEVSA-N 1 0 350.419 2.076 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000289910824 552398023 /nfs/dbraw/zinc/39/80/23/552398023.db2.gz VAFKMVRBMXZDFF-CYBMUJFWSA-N 1 0 364.446 2.466 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000500808009 561583085 /nfs/dbraw/zinc/58/30/85/561583085.db2.gz LIIZSAYAVYERBK-HUUCEWRRSA-N 1 0 369.487 2.320 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000500795810 561582638 /nfs/dbraw/zinc/58/26/38/561582638.db2.gz PGMJMRZMLPKKLK-UHFFFAOYSA-N 1 0 371.441 2.382 20 5 FEBDRO NC(=O)c1ccnc(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000290553955 552497581 /nfs/dbraw/zinc/49/75/81/552497581.db2.gz QVROZUITJIWDNU-UHFFFAOYSA-N 1 0 355.398 2.297 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000500936235 561586056 /nfs/dbraw/zinc/58/60/56/561586056.db2.gz PSPITJIJRSTUBK-GDBMZVCRSA-N 1 0 369.487 2.272 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000290716243 552525076 /nfs/dbraw/zinc/52/50/76/552525076.db2.gz UYBJXGDYDBCYAF-UHFFFAOYSA-N 1 0 358.398 2.250 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000292178042 552701616 /nfs/dbraw/zinc/70/16/16/552701616.db2.gz JFIDAVGSUBCBBJ-KRWDZBQOSA-N 1 0 371.441 2.210 20 5 FEBDRO C[C@@H]1C[C@@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000501477704 561598340 /nfs/dbraw/zinc/59/83/40/561598340.db2.gz UDEHGCRXQBJVQF-GDBMZVCRSA-N 1 0 371.441 2.359 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292703296 552750900 /nfs/dbraw/zinc/75/09/00/552750900.db2.gz DLVLENLVLZFJFO-MRXNPFEDSA-N 1 0 371.434 2.149 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292725226 552752659 /nfs/dbraw/zinc/75/26/59/552752659.db2.gz GCQSWZOQBVEDLO-INIZCTEOSA-N 1 0 353.444 2.010 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000293455030 552825738 /nfs/dbraw/zinc/82/57/38/552825738.db2.gz QCORRITUDUZMNV-ZDUSSCGKSA-N 1 0 374.441 2.175 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706833 552848906 /nfs/dbraw/zinc/84/89/06/552848906.db2.gz LRKNROJAIOEZDJ-RDTXWAMCSA-N 1 0 370.453 2.247 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293716726 552850001 /nfs/dbraw/zinc/85/00/01/552850001.db2.gz RRHXAOFULOTTKU-BETUJISGSA-N 1 0 362.386 2.191 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293771658 552855093 /nfs/dbraw/zinc/85/50/93/552855093.db2.gz AVIWKWFNAZHGCL-LSDHHAIUSA-N 1 0 367.833 2.492 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC000294968139 552947980 /nfs/dbraw/zinc/94/79/80/552947980.db2.gz KQTMJGMLSBEJII-UHFFFAOYSA-N 1 0 364.427 2.251 20 5 FEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000295268510 552978721 /nfs/dbraw/zinc/97/87/21/552978721.db2.gz JGZBRRRQHSTJLS-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO CS[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000295555183 553025566 /nfs/dbraw/zinc/02/55/66/553025566.db2.gz PUTZKJWWZSBFRF-HOCLYGCPSA-N 1 0 365.455 2.062 20 5 FEBDRO C[C@@H](CO)[C@@H](C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295789998 553059310 /nfs/dbraw/zinc/05/93/10/553059310.db2.gz RMGPEUFDEXGFOM-WDEREUQCSA-N 1 0 364.427 2.263 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842725 553066721 /nfs/dbraw/zinc/06/67/21/553066721.db2.gz CZFWWDSMXLATPT-HZPDHXFCSA-N 1 0 363.414 2.479 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295845797 553067360 /nfs/dbraw/zinc/06/73/60/553067360.db2.gz ZUVNBPIWCASKHI-INIZCTEOSA-N 1 0 364.442 2.352 20 5 FEBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])oc1C ZINC000502400892 561617808 /nfs/dbraw/zinc/61/78/08/561617808.db2.gz KIZUGFWMGMFILP-GFCCVEGCSA-N 1 0 367.427 2.434 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000296091531 553103452 /nfs/dbraw/zinc/10/34/52/553103452.db2.gz DBBZNFLXRPGSLG-KRWDZBQOSA-N 1 0 364.446 2.324 20 5 FEBDRO CO[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296286061 553135192 /nfs/dbraw/zinc/13/51/92/553135192.db2.gz ZFGGGMQYVCKDGY-HNNXBMFYSA-N 1 0 356.444 2.115 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000296359656 553147365 /nfs/dbraw/zinc/14/73/65/553147365.db2.gz QVQWCLFOMHYZQP-HNNXBMFYSA-N 1 0 370.837 2.279 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296423565 553157624 /nfs/dbraw/zinc/15/76/24/553157624.db2.gz VRKIHWDUURHPGT-ZTFGCOKTSA-N 1 0 357.410 2.031 20 5 FEBDRO COC[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296661421 553194841 /nfs/dbraw/zinc/19/48/41/553194841.db2.gz JXPDSBFPQVOWGA-QGZVFWFLSA-N 1 0 351.403 2.290 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296853376 553220768 /nfs/dbraw/zinc/22/07/68/553220768.db2.gz ORZPDUCVSAXQIX-KBPBESRZSA-N 1 0 364.446 2.142 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000297392515 553286714 /nfs/dbraw/zinc/28/67/14/553286714.db2.gz FESMYMFRFHRHCQ-AWEZNQCLSA-N 1 0 372.425 2.310 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCC1 ZINC000297746802 553333766 /nfs/dbraw/zinc/33/37/66/553333766.db2.gz DKLZDCQMYINDBU-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000298050070 553377312 /nfs/dbraw/zinc/37/73/12/553377312.db2.gz HTEJNGYIBRKEAX-OAHLLOKOSA-N 1 0 364.446 2.324 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000298097995 553383716 /nfs/dbraw/zinc/38/37/16/553383716.db2.gz IPPIJBGPRDPJCK-QGZVFWFLSA-N 1 0 365.430 2.319 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298423327 553423267 /nfs/dbraw/zinc/42/32/67/553423267.db2.gz PTJKYPRUPRBUNP-OAHLLOKOSA-N 1 0 358.398 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000298820736 553477141 /nfs/dbraw/zinc/47/71/41/553477141.db2.gz BJZUMONRGVIKHI-ZBFHGGJFSA-N 1 0 374.441 2.235 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000298890858 553485789 /nfs/dbraw/zinc/48/57/89/553485789.db2.gz QOFIHXUQYXFTTL-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000299446237 553564438 /nfs/dbraw/zinc/56/44/38/553564438.db2.gz YSLARNJSLWDUDI-ZBFHGGJFSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000299481572 553569304 /nfs/dbraw/zinc/56/93/04/553569304.db2.gz ZLDCASFRFUTYHO-IBGZPJMESA-N 1 0 374.441 2.094 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000299581822 553584547 /nfs/dbraw/zinc/58/45/47/553584547.db2.gz HSFSTMPUJBBBHC-ZBFHGGJFSA-N 1 0 374.441 2.093 20 5 FEBDRO Nc1nc(Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)ncc1[N+](=O)[O-] ZINC000301140100 553625633 /nfs/dbraw/zinc/62/56/33/553625633.db2.gz AIHBFRXNVSUFLU-UHFFFAOYSA-N 1 0 369.429 2.243 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301511337 553657036 /nfs/dbraw/zinc/65/70/36/553657036.db2.gz DCQRJGRQEJRINN-LLVKDONJSA-N 1 0 372.267 2.190 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000301574054 553662685 /nfs/dbraw/zinc/66/26/85/553662685.db2.gz YAVZZGVRIUIQMQ-UHFFFAOYSA-N 1 0 364.203 2.474 20 5 FEBDRO CC(=O)c1ccc(N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301810625 553681847 /nfs/dbraw/zinc/68/18/47/553681847.db2.gz XFXJWTVCCNHBAY-KRWDZBQOSA-N 1 0 360.458 2.404 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301869172 553686725 /nfs/dbraw/zinc/68/67/25/553686725.db2.gz GYUFBDZEZIUKSC-CQSZACIVSA-N 1 0 367.471 2.453 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000312877929 553756697 /nfs/dbraw/zinc/75/66/97/553756697.db2.gz NTYGJHYMXMOENT-SECBINFHSA-N 1 0 351.215 2.310 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000325214148 553775287 /nfs/dbraw/zinc/77/52/87/553775287.db2.gz NUUJOQDKIHCGOI-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000326570119 553781731 /nfs/dbraw/zinc/78/17/31/553781731.db2.gz VXFBPCSFPNQXOB-OLZOCXBDSA-N 1 0 357.407 2.029 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1C ZINC000326838415 553783465 /nfs/dbraw/zinc/78/34/65/553783465.db2.gz KQGYAWUIEQHTAH-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000507552108 561732880 /nfs/dbraw/zinc/73/28/80/561732880.db2.gz PDISHXOADPHHGN-OAHLLOKOSA-N 1 0 363.458 2.490 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429086 554120601 /nfs/dbraw/zinc/12/06/01/554120601.db2.gz ICPNKUJJGFFUKP-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330492929 554128762 /nfs/dbraw/zinc/12/87/62/554128762.db2.gz RTVNIKKSORNHTF-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331832360 554327014 /nfs/dbraw/zinc/32/70/14/554327014.db2.gz ACTJISHCCKLUGZ-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070977 554374190 /nfs/dbraw/zinc/37/41/90/554374190.db2.gz WNVMIEFRABIILV-NFAWXSAZSA-N 1 0 363.414 2.374 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000332226160 554405041 /nfs/dbraw/zinc/40/50/41/554405041.db2.gz ODWHJPNIYSRGBH-INIZCTEOSA-N 1 0 358.398 2.261 20 5 FEBDRO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332371394 554433755 /nfs/dbraw/zinc/43/37/55/554433755.db2.gz BCOXEHUYUOMCPD-RDJZCZTQSA-N 1 0 362.474 2.061 20 5 FEBDRO CC(C)[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000510890505 561849738 /nfs/dbraw/zinc/84/97/38/561849738.db2.gz RVTNYHDCYADEKS-HNNXBMFYSA-N 1 0 374.401 2.008 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511013931 561854018 /nfs/dbraw/zinc/85/40/18/561854018.db2.gz PPGKSGGRMIDKDF-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000511072256 561855782 /nfs/dbraw/zinc/85/57/82/561855782.db2.gz DFPZHYIJIPLNIQ-UHFFFAOYSA-N 1 0 353.378 2.365 20 5 FEBDRO C[N@H+](CCC(=O)NCC(=O)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511128347 561858311 /nfs/dbraw/zinc/85/83/11/561858311.db2.gz ZJGWMEKERWTVBG-UHFFFAOYSA-N 1 0 369.421 2.458 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361016230 554900311 /nfs/dbraw/zinc/90/03/11/554900311.db2.gz AFYUJROKACDGMF-XHSDSOJGSA-N 1 0 359.426 2.306 20 5 FEBDRO COc1cc(CN2CC[NH+]([C@H]3CCSC3)CC2)c([N+](=O)[O-])cc1OC ZINC000362008733 554943656 /nfs/dbraw/zinc/94/36/56/554943656.db2.gz GLCPBAPKGVHDAZ-AWEZNQCLSA-N 1 0 367.471 2.235 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000363015003 555010700 /nfs/dbraw/zinc/01/07/00/555010700.db2.gz SMINNVYYPSHZAK-ZDUSSCGKSA-N 1 0 371.397 2.212 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363072549 555023905 /nfs/dbraw/zinc/02/39/05/555023905.db2.gz PPBIVAKTMJWBHB-UHFFFAOYSA-N 1 0 372.429 2.012 20 5 FEBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363118324 555034131 /nfs/dbraw/zinc/03/41/31/555034131.db2.gz WKSIVGKUUODFLQ-WBIUFABUSA-N 1 0 351.353 2.429 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363259326 555066227 /nfs/dbraw/zinc/06/62/27/555066227.db2.gz NCHXNLKKUPHLNY-LZWOXQAQSA-N 1 0 365.455 2.008 20 5 FEBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414027 555100104 /nfs/dbraw/zinc/10/01/04/555100104.db2.gz JGVNAQGTPCEILX-NJAFHUGGSA-N 1 0 359.426 2.377 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000363695444 555166286 /nfs/dbraw/zinc/16/62/86/555166286.db2.gz BBFUEXDYJRGZNQ-DLBZAZTESA-N 1 0 372.400 2.367 20 5 FEBDRO CC1CC[NH+](CC2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC000363870832 555203190 /nfs/dbraw/zinc/20/31/90/555203190.db2.gz XPVOCWJBIHBXHZ-UHFFFAOYSA-N 1 0 361.446 2.156 20 5 FEBDRO CCC[C@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000512260587 561897697 /nfs/dbraw/zinc/89/76/97/561897697.db2.gz NLSIJPLSBPDTLX-KRWDZBQOSA-N 1 0 351.403 2.481 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000364036191 555237510 /nfs/dbraw/zinc/23/75/10/555237510.db2.gz JCMNCQOSZNVVDD-UHFFFAOYSA-N 1 0 368.437 2.356 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000364072644 555244583 /nfs/dbraw/zinc/24/45/83/555244583.db2.gz OCSZXGBBVXVXMH-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO COCC[C@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138648 555257112 /nfs/dbraw/zinc/25/71/12/555257112.db2.gz KIWLXWSLAPYLJM-NVXWUHKLSA-N 1 0 352.431 2.473 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000364185949 555265270 /nfs/dbraw/zinc/26/52/70/555265270.db2.gz WMJQIRJUSAWZMJ-GJZGRUSLSA-N 1 0 373.862 2.449 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(F)cc1 ZINC000364204464 555269117 /nfs/dbraw/zinc/26/91/17/555269117.db2.gz KWHZOOVOXRBGMQ-IAGOWNOFSA-N 1 0 359.357 2.066 20 5 FEBDRO Nc1c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000364204393 555269261 /nfs/dbraw/zinc/26/92/61/555269261.db2.gz KLBQSBHBZGAXDB-UONOGXRCSA-N 1 0 362.336 2.022 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2cccnc2)n1 ZINC000364328429 555292191 /nfs/dbraw/zinc/29/21/91/555292191.db2.gz NJDCKSTXOTWYMM-INIZCTEOSA-N 1 0 367.413 2.424 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000364397224 555305795 /nfs/dbraw/zinc/30/57/95/555305795.db2.gz ZIKKDGYRHOFYAI-OAHLLOKOSA-N 1 0 364.450 2.011 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000365083908 555481559 /nfs/dbraw/zinc/48/15/59/555481559.db2.gz JIRHIRSZJCJULQ-QAPCUYQASA-N 1 0 356.382 2.192 20 5 FEBDRO Cn1nccc1[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163019 555499124 /nfs/dbraw/zinc/49/91/24/555499124.db2.gz NBLOSKRXFXPBPB-KDOFPFPSSA-N 1 0 369.425 2.313 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000365223397 555514916 /nfs/dbraw/zinc/51/49/16/555514916.db2.gz UPTMYNCAHJQFCE-GMXVVIOVSA-N 1 0 373.862 2.305 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513021588 561922720 /nfs/dbraw/zinc/92/27/20/561922720.db2.gz GNINAOCZPFLAFO-LYASGUKUSA-N 1 0 353.444 2.012 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365332114 555544976 /nfs/dbraw/zinc/54/49/76/555544976.db2.gz RBCUBZKQGAVZBM-LZLXCTOHSA-N 1 0 372.469 2.240 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365496068 555591047 /nfs/dbraw/zinc/59/10/47/555591047.db2.gz TVGUNZYEYPIDDG-AWEZNQCLSA-N 1 0 357.366 2.419 20 5 FEBDRO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365507182 555594012 /nfs/dbraw/zinc/59/40/12/555594012.db2.gz GVUZGFPFHWPNFL-HOCLYGCPSA-N 1 0 363.462 2.465 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540001 555603260 /nfs/dbraw/zinc/60/32/60/555603260.db2.gz QIYLJPRKCHPRIH-FHLIZLRMSA-N 1 0 361.442 2.143 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365549705 555605626 /nfs/dbraw/zinc/60/56/26/555605626.db2.gz HROWPYNWBLUJER-IMJJTQAJSA-N 1 0 365.455 2.008 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365867250 555687288 /nfs/dbraw/zinc/68/72/88/555687288.db2.gz KVPNTWIRPWLALN-BBRMVZONSA-N 1 0 364.471 2.045 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365926855 555702950 /nfs/dbraw/zinc/70/29/50/555702950.db2.gz GCADFRCJVVECAB-UHFFFAOYSA-N 1 0 357.414 2.330 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000366414185 555837155 /nfs/dbraw/zinc/83/71/55/555837155.db2.gz MAVCLGLYFAWTJH-WKPIXPDZSA-N 1 0 369.368 2.197 20 5 FEBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@H]12 ZINC000366478516 555856220 /nfs/dbraw/zinc/85/62/20/555856220.db2.gz FCCOHQOFPLFMNW-GXTWGEPZSA-N 1 0 371.418 2.418 20 5 FEBDRO CC[C@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366567403 555877794 /nfs/dbraw/zinc/87/77/94/555877794.db2.gz CQUUFOUFSDCCMG-KSSFIOAISA-N 1 0 366.414 2.252 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC000366734420 555920706 /nfs/dbraw/zinc/92/07/06/555920706.db2.gz CNWTYUBMHNNREP-KRWDZBQOSA-N 1 0 359.382 2.116 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366822519 555944248 /nfs/dbraw/zinc/94/42/48/555944248.db2.gz GGYUMCSVTNQZKP-YVEFUNNKSA-N 1 0 370.409 2.453 20 5 FEBDRO CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000514598699 561968937 /nfs/dbraw/zinc/96/89/37/561968937.db2.gz IIHHYMMZHWNVOI-KRWDZBQOSA-N 1 0 358.394 2.369 20 5 FEBDRO Nc1nccc([C@@H]2CCC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366991763 555991400 /nfs/dbraw/zinc/99/14/00/555991400.db2.gz ZRZWMUJGWBCWJU-CQSZACIVSA-N 1 0 357.414 2.616 20 5 FEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514640660 561971249 /nfs/dbraw/zinc/97/12/49/561971249.db2.gz YSLNAYSHRUKLBR-HNNXBMFYSA-N 1 0 363.462 2.155 20 5 FEBDRO Cn1ccc(N2CC[C@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000367693646 556116155 /nfs/dbraw/zinc/11/61/55/556116155.db2.gz ANNLMEKVBQQMLX-LBPRGKRZSA-N 1 0 367.356 2.298 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000368385283 556293846 /nfs/dbraw/zinc/29/38/46/556293846.db2.gz NDPPSGVVJTYWJO-OAHLLOKOSA-N 1 0 365.455 2.095 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000515216821 562001274 /nfs/dbraw/zinc/00/12/74/562001274.db2.gz PMPBCRTVMBUXRQ-KGLIPLIRSA-N 1 0 355.460 2.277 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368425998 556305947 /nfs/dbraw/zinc/30/59/47/556305947.db2.gz IOMGSAWROWDNEB-CQSZACIVSA-N 1 0 369.491 2.030 20 5 FEBDRO Cc1c(CC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000368570641 556349296 /nfs/dbraw/zinc/34/92/96/556349296.db2.gz XQVIHIAGNRZWON-FUHWJXTLSA-N 1 0 361.442 2.063 20 5 FEBDRO CCOc1cccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000368871304 556434367 /nfs/dbraw/zinc/43/43/67/556434367.db2.gz XQNJJQISAWPGAR-JKSUJKDBSA-N 1 0 362.474 2.456 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+]2CCC1CC2 ZINC000368972349 556464120 /nfs/dbraw/zinc/46/41/20/556464120.db2.gz DZZCLNAZBNLWEM-UHFFFAOYSA-N 1 0 358.442 2.118 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266386 556555583 /nfs/dbraw/zinc/55/55/83/556555583.db2.gz LRRDUFSHFFGFBY-CQSZACIVSA-N 1 0 373.457 2.060 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369530330 556621906 /nfs/dbraw/zinc/62/19/06/556621906.db2.gz GUACASWSOFVVFA-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CN(c4ccccc4)CCO3)CC2)n1 ZINC000516191918 562035089 /nfs/dbraw/zinc/03/50/89/562035089.db2.gz ZFSJTEAHDWRBDV-SFHVURJKSA-N 1 0 371.441 2.334 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000369772773 556690662 /nfs/dbraw/zinc/69/06/62/556690662.db2.gz MSUIHFJBZDPHDO-SWLSCSKDSA-N 1 0 362.386 2.416 20 5 FEBDRO CC1CCC(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369781129 556692930 /nfs/dbraw/zinc/69/29/30/556692930.db2.gz AOHLVXGYCGWXCP-WIHSUSGWSA-N 1 0 366.462 2.212 20 5 FEBDRO Cc1cccc(C)c1OC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369782304 556693070 /nfs/dbraw/zinc/69/30/70/556693070.db2.gz MMVQGJOHSVEFLH-KRWDZBQOSA-N 1 0 374.441 2.312 20 5 FEBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000369855102 556713497 /nfs/dbraw/zinc/71/34/97/556713497.db2.gz CKKAFCKCBMSSRC-SFHVURJKSA-N 1 0 363.414 2.193 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2ncccn2)CC1 ZINC000370081491 556775747 /nfs/dbraw/zinc/77/57/47/556775747.db2.gz GEZDIBSFVJEEPK-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516375 562045628 /nfs/dbraw/zinc/04/56/28/562045628.db2.gz BYXGZDMNUJWVIU-KBPBESRZSA-N 1 0 361.402 2.477 20 5 FEBDRO Cc1cnn([C@H]2CC[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000516999390 562070206 /nfs/dbraw/zinc/07/02/06/562070206.db2.gz PSVCVFCQUVFDRU-HNNXBMFYSA-N 1 0 371.397 2.345 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370924316 557017832 /nfs/dbraw/zinc/01/78/32/557017832.db2.gz RMOQEVBCKPICLQ-PBHICJAKSA-N 1 0 357.414 2.141 20 5 FEBDRO C[C@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C[NH+]1CCCC1 ZINC000517269052 562083557 /nfs/dbraw/zinc/08/35/57/562083557.db2.gz VYTILNJZCRNLNK-CQSZACIVSA-N 1 0 362.430 2.231 20 5 FEBDRO Nc1c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC000371253410 557120489 /nfs/dbraw/zinc/12/04/89/557120489.db2.gz JXLBXPIFOMRJJA-HWWDLCQESA-N 1 0 352.394 2.037 20 5 FEBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371334604 557150667 /nfs/dbraw/zinc/15/06/67/557150667.db2.gz HAYGBLFNUHERLE-WMLDXEAASA-N 1 0 350.438 2.192 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000371334904 557151259 /nfs/dbraw/zinc/15/12/59/557151259.db2.gz HPMBAZZGAIRSPJ-CQSZACIVSA-N 1 0 363.462 2.445 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371355133 557157668 /nfs/dbraw/zinc/15/76/68/557157668.db2.gz OTMGMPSJYGSOHY-MZKHAQQWSA-N 1 0 372.469 2.092 20 5 FEBDRO Cc1cc(N(C)C2CC[NH+](CC(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000371404880 557175674 /nfs/dbraw/zinc/17/56/74/557175674.db2.gz AELLUMXGFFFLFW-UHFFFAOYSA-N 1 0 360.458 2.426 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371511133 557206048 /nfs/dbraw/zinc/20/60/48/557206048.db2.gz PWQLZJGMGDESMQ-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000517658966 562094950 /nfs/dbraw/zinc/09/49/50/562094950.db2.gz GNFPLQJVTAKVCM-HNNXBMFYSA-N 1 0 368.455 2.117 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000518103930 562104545 /nfs/dbraw/zinc/10/45/45/562104545.db2.gz MVLWIJPZOVYVGQ-ZIAGYGMSSA-N 1 0 362.430 2.221 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000371862666 557313798 /nfs/dbraw/zinc/31/37/98/557313798.db2.gz DLCKDDCDEIJCPQ-UHFFFAOYSA-N 1 0 361.446 2.347 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609815 562115132 /nfs/dbraw/zinc/11/51/32/562115132.db2.gz OBBIZSQRYWZGRQ-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO CN(C)C(=O)c1cccc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372281504 557428309 /nfs/dbraw/zinc/42/83/09/557428309.db2.gz IVNWVOVQPUGPJK-INIZCTEOSA-N 1 0 357.414 2.330 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372695704 557540381 /nfs/dbraw/zinc/54/03/81/557540381.db2.gz SGJDVMOGJUOARR-FUHWJXTLSA-N 1 0 361.442 2.145 20 5 FEBDRO C[C@@H](OC[C@H](O)C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000519600839 562136609 /nfs/dbraw/zinc/13/66/09/562136609.db2.gz YOVKLPUHZYJBOX-MLGOLLRUSA-N 1 0 368.821 2.173 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000373227586 557653731 /nfs/dbraw/zinc/65/37/31/557653731.db2.gz GGTGORYSYMLQLH-QGZVFWFLSA-N 1 0 374.441 2.485 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000373289333 557666012 /nfs/dbraw/zinc/66/60/12/557666012.db2.gz QDXGEVMMCODEON-NHYWBVRUSA-N 1 0 361.427 2.288 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000373788034 557759304 /nfs/dbraw/zinc/75/93/04/557759304.db2.gz JTHBETSOCHUPDX-INIZCTEOSA-N 1 0 362.474 2.063 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000374002047 557805135 /nfs/dbraw/zinc/80/51/35/557805135.db2.gz OUMULOIGTKODHL-INIZCTEOSA-N 1 0 363.462 2.152 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374352685 557870559 /nfs/dbraw/zinc/87/05/59/557870559.db2.gz PTYLQXQHERWOHI-MRXNPFEDSA-N 1 0 367.471 2.088 20 5 FEBDRO O=C(NC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566653 557900622 /nfs/dbraw/zinc/90/06/22/557900622.db2.gz RMPPBYKRUGKAKL-RHSMWYFYSA-N 1 0 373.409 2.363 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374585477 557902456 /nfs/dbraw/zinc/90/24/56/557902456.db2.gz NIVSWUABFHNYPH-SJORKVTESA-N 1 0 369.425 2.238 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000375064792 557972490 /nfs/dbraw/zinc/97/24/90/557972490.db2.gz ZECISHUFGIUOJE-ROUUACIJSA-N 1 0 355.394 2.479 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375206106 557991808 /nfs/dbraw/zinc/99/18/08/557991808.db2.gz HDLYMVUGJDRZOQ-AWEZNQCLSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375269755 558001754 /nfs/dbraw/zinc/00/17/54/558001754.db2.gz MGCLGOJBLGKWAI-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO O=C(c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556450 558048104 /nfs/dbraw/zinc/04/81/04/558048104.db2.gz GWTHREZWGCYTHZ-HZPDHXFCSA-N 1 0 374.441 2.106 20 5 FEBDRO COc1ccccc1N1CC[C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375673972 558066020 /nfs/dbraw/zinc/06/60/20/558066020.db2.gz RROSFBMSDMZVNN-OAHLLOKOSA-N 1 0 359.430 2.401 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817764 558084586 /nfs/dbraw/zinc/08/45/86/558084586.db2.gz GFRNADQZBZXJJL-RHSMWYFYSA-N 1 0 369.425 2.479 20 5 FEBDRO O=c1[nH]c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218955 558143485 /nfs/dbraw/zinc/14/34/85/558143485.db2.gz LWGVMNAJYQIDPT-HZUKXOBISA-N 1 0 355.398 2.164 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376345286 558160926 /nfs/dbraw/zinc/16/09/26/558160926.db2.gz ZQQSBPJLORJOQB-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO COCC[C@H]1CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376886 558165088 /nfs/dbraw/zinc/16/50/88/558165088.db2.gz QEJGUSMLHHXBIN-CVEARBPZSA-N 1 0 352.431 2.473 20 5 FEBDRO CC(=O)c1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450855 558175053 /nfs/dbraw/zinc/17/50/53/558175053.db2.gz SGWCMZBDDGJRSG-AWEZNQCLSA-N 1 0 360.458 2.402 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([NH2+]C2CCCC2)CC1 ZINC000376823338 558225949 /nfs/dbraw/zinc/22/59/49/558225949.db2.gz ORUAIWYLQMCFJP-UHFFFAOYSA-N 1 0 361.398 2.460 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000377639780 558383910 /nfs/dbraw/zinc/38/39/10/558383910.db2.gz FZKMXTYFTXZVJX-DZGCQCFKSA-N 1 0 351.357 2.142 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000377837640 558432074 /nfs/dbraw/zinc/43/20/74/558432074.db2.gz PMRZMUAPHIBILB-GJYPPUQNSA-N 1 0 366.421 2.433 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378113296 558484190 /nfs/dbraw/zinc/48/41/90/558484190.db2.gz PQJHGYUNTRZFOK-MEQKGCOVSA-N 1 0 372.469 2.235 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000523166161 562209305 /nfs/dbraw/zinc/20/93/05/562209305.db2.gz PDAFJNGLLOFVSP-ZDUSSCGKSA-N 1 0 361.398 2.414 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378222341 558505313 /nfs/dbraw/zinc/50/53/13/558505313.db2.gz HMBRFFTZPLEPJZ-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc([C@@H]2[C@@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000378306843 558525355 /nfs/dbraw/zinc/52/53/55/558525355.db2.gz AGFQXKIVIJOOPJ-CXAGYDPISA-N 1 0 373.413 2.139 20 5 FEBDRO Cc1c(CC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364645 558539586 /nfs/dbraw/zinc/53/95/86/558539586.db2.gz CYIYPLMHVPRMTG-OAHLLOKOSA-N 1 0 374.485 2.073 20 5 FEBDRO Cc1c(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000378367410 558541072 /nfs/dbraw/zinc/54/10/72/558541072.db2.gz DKEIFLDTMPDISQ-CQSZACIVSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000378430362 558555608 /nfs/dbraw/zinc/55/56/08/558555608.db2.gz UTTLJLUOTJMTDP-UHFFFAOYSA-N 1 0 359.430 2.017 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000378495748 558569454 /nfs/dbraw/zinc/56/94/54/558569454.db2.gz MLYHAZUWIMOACI-APWZRJJASA-N 1 0 358.394 2.274 20 5 FEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000378555490 558582104 /nfs/dbraw/zinc/58/21/04/558582104.db2.gz DEWZCBAMWNEZON-UHFFFAOYSA-N 1 0 372.385 2.394 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000523947681 562222074 /nfs/dbraw/zinc/22/20/74/562222074.db2.gz MEPXYTJFPANIRV-INIZCTEOSA-N 1 0 359.430 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1C ZINC000405319456 558632317 /nfs/dbraw/zinc/63/23/17/558632317.db2.gz TUFSLJXNINXMMI-ABAIWWIYSA-N 1 0 355.460 2.350 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000408448472 558678014 /nfs/dbraw/zinc/67/80/14/558678014.db2.gz VLRGRSGVZLGUHA-LJIGWXMPSA-N 1 0 350.419 2.203 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000524719279 562233023 /nfs/dbraw/zinc/23/30/23/562233023.db2.gz AUWMQLJMAAEINZ-CYBMUJFWSA-N 1 0 357.414 2.067 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524869520 562236475 /nfs/dbraw/zinc/23/64/75/562236475.db2.gz LUQSIUPAOHSXPM-OLZOCXBDSA-N 1 0 371.459 2.097 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000411169908 558848108 /nfs/dbraw/zinc/84/81/08/558848108.db2.gz FLWAYTLGROAKNR-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000525385595 562247018 /nfs/dbraw/zinc/24/70/18/562247018.db2.gz CJSBUOTVBNKJHG-KBPBESRZSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411498625 558905811 /nfs/dbraw/zinc/90/58/11/558905811.db2.gz PJXQQEURIVRTIQ-GFCCVEGCSA-N 1 0 361.402 2.359 20 5 FEBDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617228 558930055 /nfs/dbraw/zinc/93/00/55/558930055.db2.gz KOKKIEBKJKQZAW-PVUWLOKVSA-N 1 0 361.398 2.197 20 5 FEBDRO COc1ccc(NC(=O)CCN(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858295 558977843 /nfs/dbraw/zinc/97/78/43/558977843.db2.gz CQAVTBGXCIRQNU-AWEZNQCLSA-N 1 0 364.446 2.347 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000411907717 558985934 /nfs/dbraw/zinc/98/59/34/558985934.db2.gz GOTTUYXHLDKTPE-CYBMUJFWSA-N 1 0 358.398 2.074 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1(OC)CCC1 ZINC000412029276 559004165 /nfs/dbraw/zinc/00/41/65/559004165.db2.gz YBPMEXASVCWQFJ-GFCCVEGCSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412076055 559010079 /nfs/dbraw/zinc/01/00/79/559010079.db2.gz JJBGLKXNNIHUEU-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC(C[NH+](C)C)CC2)c1F ZINC000412127192 559015970 /nfs/dbraw/zinc/01/59/70/559015970.db2.gz KZZSWYKUBMGXOP-UHFFFAOYSA-N 1 0 353.394 2.085 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000412128347 559016021 /nfs/dbraw/zinc/01/60/21/559016021.db2.gz RKDUFZYUQCNGOQ-ZDUSSCGKSA-N 1 0 365.405 2.229 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1F ZINC000412289089 559025231 /nfs/dbraw/zinc/02/52/31/559025231.db2.gz GWJFJYUYIQUACR-CYBMUJFWSA-N 1 0 365.405 2.418 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412393697 559033014 /nfs/dbraw/zinc/03/30/14/559033014.db2.gz DYGVLHLLULBHAV-LBPRGKRZSA-N 1 0 353.394 2.228 20 5 FEBDRO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413128000 559080986 /nfs/dbraw/zinc/08/09/86/559080986.db2.gz CJFQUMFBKUAAAN-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413176760 559085898 /nfs/dbraw/zinc/08/58/98/559085898.db2.gz UBMWEEOIICFPOK-UHFFFAOYSA-N 1 0 361.368 2.447 20 5 FEBDRO CCOc1cc(NC(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000414756295 559185352 /nfs/dbraw/zinc/18/53/52/559185352.db2.gz JLEFFNKQHUBRDU-NSHDSACASA-N 1 0 352.391 2.266 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415679077 559261116 /nfs/dbraw/zinc/26/11/16/559261116.db2.gz RGFGYVIYTJOJNL-ZDUSSCGKSA-N 1 0 368.821 2.081 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415692613 559262535 /nfs/dbraw/zinc/26/25/35/559262535.db2.gz HHMQPBQZYUHFCC-ZJUUUORDSA-N 1 0 369.219 2.431 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415851847 559278673 /nfs/dbraw/zinc/27/86/73/559278673.db2.gz ZOXYMMNFGNBVNS-INIZCTEOSA-N 1 0 370.409 2.220 20 5 FEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCNc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000415964421 559285462 /nfs/dbraw/zinc/28/54/62/559285462.db2.gz SOXJWYYPKMDUQD-CYBMUJFWSA-N 1 0 370.413 2.039 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409009 559310693 /nfs/dbraw/zinc/31/06/93/559310693.db2.gz TVJMLSKDQGJGHW-UONOGXRCSA-N 1 0 355.460 2.172 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000416482420 559316517 /nfs/dbraw/zinc/31/65/17/559316517.db2.gz FZIKKEQSAHBGQY-VIFPVBQESA-N 1 0 369.365 2.090 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1C ZINC000416505243 559318402 /nfs/dbraw/zinc/31/84/02/559318402.db2.gz CDIAZPDLRZGWOF-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569390 559322428 /nfs/dbraw/zinc/32/24/28/559322428.db2.gz YAZUILZJNZGODY-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417171643 559351191 /nfs/dbraw/zinc/35/11/91/559351191.db2.gz DUTZISYSTFZKQR-JOCQHMNTSA-N 1 0 350.419 2.168 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417394099 559360583 /nfs/dbraw/zinc/36/05/83/559360583.db2.gz VFDZZEWCMIOOBX-DGCLKSJQSA-N 1 0 356.373 2.241 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000417714739 559373693 /nfs/dbraw/zinc/37/36/93/559373693.db2.gz IVKDHCSOLUSHHV-OAHLLOKOSA-N 1 0 363.462 2.346 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000417721011 559373966 /nfs/dbraw/zinc/37/39/66/559373966.db2.gz SPSUMTGMCWTPLQ-GASCZTMLSA-N 1 0 361.446 2.241 20 5 FEBDRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417857242 559379456 /nfs/dbraw/zinc/37/94/56/559379456.db2.gz UAVPLJOGUWCKDA-BPLDGKMQSA-N 1 0 350.419 2.112 20 5 FEBDRO CO[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000417857243 559379481 /nfs/dbraw/zinc/37/94/81/559379481.db2.gz UAVPLJOGUWCKDA-NWANDNLSSA-N 1 0 350.419 2.112 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418082476 559389560 /nfs/dbraw/zinc/38/95/60/559389560.db2.gz JFNTWZVPEKULFN-OLZOCXBDSA-N 1 0 372.429 2.002 20 5 FEBDRO C[C@@H]1CN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000418090901 559389948 /nfs/dbraw/zinc/38/99/48/559389948.db2.gz OPSJSEILFLOOJH-RNCFNFMXSA-N 1 0 360.336 2.492 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338566 559438085 /nfs/dbraw/zinc/43/80/85/559438085.db2.gz LJICXLLJDUJAHX-CABCVRRESA-N 1 0 374.441 2.179 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000420281523 559478658 /nfs/dbraw/zinc/47/86/58/559478658.db2.gz MBUNZMJBZJPHTM-JKSUJKDBSA-N 1 0 373.413 2.368 20 5 FEBDRO [NH3+]C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC12CCOCC2 ZINC000420285757 559478799 /nfs/dbraw/zinc/47/87/99/559478799.db2.gz ZRGGQVQVCGDKKE-SNVBAGLBSA-N 1 0 360.336 2.200 20 5 FEBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420385496 559484454 /nfs/dbraw/zinc/48/44/54/559484454.db2.gz HGGVQBKYSNDREL-GOEBONIOSA-N 1 0 372.400 2.489 20 5 FEBDRO O=C(CN1CC[NH2+]C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420395991 559485109 /nfs/dbraw/zinc/48/51/09/559485109.db2.gz DWONHVOQQWRDDL-LJQANCHMSA-N 1 0 366.421 2.130 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420791009 559504648 /nfs/dbraw/zinc/50/46/48/559504648.db2.gz ZTVBQEVTRGWVPS-UHFFFAOYSA-N 1 0 350.419 2.275 20 5 FEBDRO CC1(C)C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000420932100 559512286 /nfs/dbraw/zinc/51/22/86/559512286.db2.gz HBCJALKUQDKFBI-OAHLLOKOSA-N 1 0 361.398 2.264 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421023077 559520136 /nfs/dbraw/zinc/52/01/36/559520136.db2.gz VVWFMKMRWZBPQZ-AWEZNQCLSA-N 1 0 365.430 2.417 20 5 FEBDRO COC1([C@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOCC1 ZINC000421026066 559520471 /nfs/dbraw/zinc/52/04/71/559520471.db2.gz DZUXXJGXMAYJKA-LBPRGKRZSA-N 1 0 362.386 2.319 20 5 FEBDRO COC1([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421035891 559521244 /nfs/dbraw/zinc/52/12/44/559521244.db2.gz PNRSUBUJKKNMQM-ZDUSSCGKSA-N 1 0 351.403 2.097 20 5 FEBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421349628 559539874 /nfs/dbraw/zinc/53/98/74/559539874.db2.gz IVUGRRCVUJMCJQ-FRFSOERESA-N 1 0 371.441 2.299 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4nnnn4CC3)o2)c1 ZINC000421392879 559541102 /nfs/dbraw/zinc/54/11/02/559541102.db2.gz CUVODZMADFGURE-CYBMUJFWSA-N 1 0 354.370 2.336 20 5 FEBDRO COc1ccc(-c2ccc(C[N@H+](C[C@H](O)CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000421414655 559541862 /nfs/dbraw/zinc/54/18/62/559541862.db2.gz ZVRVSALMOJMWSW-ZDUSSCGKSA-N 1 0 364.398 2.427 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422006189 559560067 /nfs/dbraw/zinc/56/00/67/559560067.db2.gz LBMZHKNTGWRNFD-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422550217 559594496 /nfs/dbraw/zinc/59/44/96/559594496.db2.gz AQLXASAPPXWAOY-VWYCJHECSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422555499 559594884 /nfs/dbraw/zinc/59/48/84/559594884.db2.gz QDBPNNMGONRMLX-GDLCADMTSA-N 1 0 355.460 2.206 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000422726845 559604626 /nfs/dbraw/zinc/60/46/26/559604626.db2.gz ANWRXVSNBIGZDY-UHFFFAOYSA-N 1 0 358.398 2.298 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000423450542 559629539 /nfs/dbraw/zinc/62/95/39/559629539.db2.gz DXRIHIHMVXPNQI-LBPRGKRZSA-N 1 0 354.204 2.324 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000423944102 559647436 /nfs/dbraw/zinc/64/74/36/559647436.db2.gz RWACBCAFRPEMKQ-MRXNPFEDSA-N 1 0 356.426 2.410 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000423991044 559649298 /nfs/dbraw/zinc/64/92/98/559649298.db2.gz KYLJHHDBBDVCEJ-CQSZACIVSA-N 1 0 373.434 2.464 20 5 FEBDRO C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424029838 559651901 /nfs/dbraw/zinc/65/19/01/559651901.db2.gz ZQIUAVMIOCVZIR-VHSXEESVSA-N 1 0 356.220 2.414 20 5 FEBDRO COc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000424031155 559651988 /nfs/dbraw/zinc/65/19/88/559651988.db2.gz AEJORSDDNSAXLS-UHFFFAOYSA-N 1 0 359.426 2.487 20 5 FEBDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000425076352 559686321 /nfs/dbraw/zinc/68/63/21/559686321.db2.gz FRPGCKZJYUIVOL-UHFFFAOYSA-N 1 0 350.404 2.183 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425217032 559691896 /nfs/dbraw/zinc/69/18/96/559691896.db2.gz TUSJSIZPQSXTNL-XHDPSFHLSA-N 1 0 373.862 2.271 20 5 FEBDRO CC[C@@]1(CO)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000426465769 559735099 /nfs/dbraw/zinc/73/50/99/559735099.db2.gz BYDVGRIHDNFVSK-GOSISDBHSA-N 1 0 363.414 2.377 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000426869781 559743334 /nfs/dbraw/zinc/74/33/34/559743334.db2.gz VVNOZCIKEZABNL-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427378083 559754462 /nfs/dbraw/zinc/75/44/62/559754462.db2.gz ADKHZMQCXYWLFK-HOCLYGCPSA-N 1 0 371.441 2.452 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427378079 559754475 /nfs/dbraw/zinc/75/44/75/559754475.db2.gz ADKHZMQCXYWLFK-GDBMZVCRSA-N 1 0 371.441 2.452 20 5 FEBDRO CNc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428543315 559777803 /nfs/dbraw/zinc/77/78/03/559777803.db2.gz WEULAQKTHBGKDK-OAHLLOKOSA-N 1 0 370.409 2.455 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428555044 559778246 /nfs/dbraw/zinc/77/82/46/559778246.db2.gz WJAQREWAVVJUHH-MRXNPFEDSA-N 1 0 371.393 2.422 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000428976935 559787130 /nfs/dbraw/zinc/78/71/30/559787130.db2.gz IFOKKOILPYZLGS-VXGBXAGGSA-N 1 0 351.403 2.120 20 5 FEBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999076 559787719 /nfs/dbraw/zinc/78/77/19/559787719.db2.gz RZQLDYXJVNAMAG-IIDMSEBBSA-N 1 0 360.458 2.220 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769268 559805278 /nfs/dbraw/zinc/80/52/78/559805278.db2.gz CAEQJJGJCGLZQZ-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430697788 559826550 /nfs/dbraw/zinc/82/65/50/559826550.db2.gz LYCXWLCDTDKFGN-INIZCTEOSA-N 1 0 357.414 2.289 20 5 FEBDRO CCCN(CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431082645 559833641 /nfs/dbraw/zinc/83/36/41/559833641.db2.gz JTBIIPHFNPOZCU-UHFFFAOYSA-N 1 0 364.446 2.396 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434779912 559909145 /nfs/dbraw/zinc/90/91/45/559909145.db2.gz XYZGBWPRUDETFK-MRXNPFEDSA-N 1 0 367.471 2.074 20 5 FEBDRO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909749 559912200 /nfs/dbraw/zinc/91/22/00/559912200.db2.gz PXGKAULAPIMZIR-MOPGFXCFSA-N 1 0 358.442 2.497 20 5 FEBDRO COc1ccc(CSCC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435245339 559918749 /nfs/dbraw/zinc/91/87/49/559918749.db2.gz BFYKCXWKTHLMII-CQSZACIVSA-N 1 0 365.455 2.190 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559241 559924981 /nfs/dbraw/zinc/92/49/81/559924981.db2.gz IJVAJDDMPZDEDP-GFCCVEGCSA-N 1 0 361.427 2.164 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000436301736 559939495 /nfs/dbraw/zinc/93/94/95/559939495.db2.gz NTJTXQUNEOCRJC-FNODVLLQSA-N 1 0 353.444 2.203 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438945291 559985995 /nfs/dbraw/zinc/98/59/95/559985995.db2.gz GEOMTFODBSJLHX-HNNXBMFYSA-N 1 0 355.460 2.384 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+](CCO)[C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000439011327 559987011 /nfs/dbraw/zinc/98/70/11/559987011.db2.gz SWBGZIKNNNSIEJ-AWEZNQCLSA-N 1 0 367.471 2.422 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000439221101 559990341 /nfs/dbraw/zinc/99/03/41/559990341.db2.gz GWSOZGZDYPXICK-UHFFFAOYSA-N 1 0 361.489 2.399 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000439737350 559999444 /nfs/dbraw/zinc/99/94/44/559999444.db2.gz GXUZJBZXIQNCBK-CYBMUJFWSA-N 1 0 357.414 2.284 20 5 FEBDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000441095435 560023603 /nfs/dbraw/zinc/02/36/03/560023603.db2.gz RCKNDMDICHUVBR-MNOVXSKESA-N 1 0 368.821 2.128 20 5 FEBDRO COC(=O)[C@@H]1CC12CC[NH+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000441396124 560031274 /nfs/dbraw/zinc/03/12/74/560031274.db2.gz UAGRIVIOSCTJHT-AWEZNQCLSA-N 1 0 364.398 2.257 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000443712543 560090895 /nfs/dbraw/zinc/09/08/95/560090895.db2.gz WNYAADWRRLHNCC-KBPBESRZSA-N 1 0 355.460 2.277 20 5 FEBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443804120 560093557 /nfs/dbraw/zinc/09/35/57/560093557.db2.gz KKXVDWWSGDGWKO-OAHLLOKOSA-N 1 0 372.425 2.403 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443865425 560094715 /nfs/dbraw/zinc/09/47/15/560094715.db2.gz FORNMSRBKHCFIZ-GOSISDBHSA-N 1 0 361.442 2.241 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443871223 560095009 /nfs/dbraw/zinc/09/50/09/560095009.db2.gz WFRDDHZQRDLYJY-INIZCTEOSA-N 1 0 351.378 2.061 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(C)C ZINC000444166354 560103857 /nfs/dbraw/zinc/10/38/57/560103857.db2.gz BEFBMRSWXOUCPC-UHFFFAOYSA-N 1 0 366.443 2.152 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444633350 560117182 /nfs/dbraw/zinc/11/71/82/560117182.db2.gz SQFQAZFTHRVXOQ-UHFFFAOYSA-N 1 0 353.382 2.463 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOC[C@@H]2CCCO2)n1 ZINC000447515158 560163590 /nfs/dbraw/zinc/16/35/90/560163590.db2.gz BCKMCFIALQGYEY-ARFHVFGLSA-N 1 0 352.435 2.450 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOC[C@H]2CCOC2)n1 ZINC000447538109 560164228 /nfs/dbraw/zinc/16/42/28/560164228.db2.gz ALFLZYNKOZOBJT-BZUAXINKSA-N 1 0 352.435 2.308 20 5 FEBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447567902 560164597 /nfs/dbraw/zinc/16/45/97/560164597.db2.gz FVGPAFRHHNGMNY-ARFHVFGLSA-N 1 0 373.461 2.267 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562574 560164603 /nfs/dbraw/zinc/16/46/03/560164603.db2.gz MIGMFZANJPNZBV-YJBOKZPZSA-N 1 0 360.458 2.149 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595810 560165037 /nfs/dbraw/zinc/16/50/37/560165037.db2.gz AOOKRYDVMNOOKA-RCCFBDPRSA-N 1 0 350.415 2.382 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170265 560218869 /nfs/dbraw/zinc/21/88/69/560218869.db2.gz GAQUVOMLTUGRIO-DZGCQCFKSA-N 1 0 357.414 2.045 20 5 FEBDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231865 /nfs/dbraw/zinc/23/18/65/560231865.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 1 0 374.485 2.361 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449567127 560233799 /nfs/dbraw/zinc/23/37/99/560233799.db2.gz ULNOPDXYJWRICD-HNNXBMFYSA-N 1 0 365.430 2.063 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710909 560237663 /nfs/dbraw/zinc/23/76/63/560237663.db2.gz CBFMYGIOFVFQEN-AAEUAGOBSA-N 1 0 353.444 2.080 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449739225 560238502 /nfs/dbraw/zinc/23/85/02/560238502.db2.gz JIZOPVLGQLSPSL-YGRLFVJLSA-N 1 0 372.347 2.236 20 5 FEBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884294 560244028 /nfs/dbraw/zinc/24/40/28/560244028.db2.gz OOZSODLSBWXBMG-HOCLYGCPSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054527 560249465 /nfs/dbraw/zinc/24/94/65/560249465.db2.gz YAADDCSUPLKDJA-HZPDHXFCSA-N 1 0 369.425 2.479 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000450320066 560258458 /nfs/dbraw/zinc/25/84/58/560258458.db2.gz MVFANNPFSJHWAQ-ZDUSSCGKSA-N 1 0 374.441 2.433 20 5 FEBDRO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450547764 560265782 /nfs/dbraw/zinc/26/57/82/560265782.db2.gz PCIXQFSVWBHKIB-INIZCTEOSA-N 1 0 374.485 2.348 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc1-c1ccccc1 ZINC000450794638 560273471 /nfs/dbraw/zinc/27/34/71/560273471.db2.gz RYMRWLZFDSFHBA-IYBDPMFKSA-N 1 0 354.410 2.932 20 5 FEBDRO C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451102800 560287251 /nfs/dbraw/zinc/28/72/51/560287251.db2.gz LLTLEXDHMDVXSQ-HNNXBMFYSA-N 1 0 372.425 2.183 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451223237 560294060 /nfs/dbraw/zinc/29/40/60/560294060.db2.gz QLEXAIKCIINOBY-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481130 560309563 /nfs/dbraw/zinc/30/95/63/560309563.db2.gz AETHAVKMGGZHAQ-RHSMWYFYSA-N 1 0 351.403 2.335 20 5 FEBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599699 560316706 /nfs/dbraw/zinc/31/67/06/560316706.db2.gz QTKJNGHNNNVTIQ-WMZOPIPTSA-N 1 0 351.447 2.436 20 5 FEBDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451622022 560317685 /nfs/dbraw/zinc/31/76/85/560317685.db2.gz BQEPBVBHKHXQNE-CHWSQXEVSA-N 1 0 372.219 2.453 20 5 FEBDRO COc1ccc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000451903627 560336175 /nfs/dbraw/zinc/33/61/75/560336175.db2.gz JJEBQAZWESQFBA-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000451919771 560337428 /nfs/dbraw/zinc/33/74/28/560337428.db2.gz UGMKEMVXIRHJLF-OAHLLOKOSA-N 1 0 366.849 2.035 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000451978740 560341790 /nfs/dbraw/zinc/34/17/90/560341790.db2.gz GATNZKCKFSVAGK-UHFFFAOYSA-N 1 0 356.417 2.379 20 5 FEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453078591 560383007 /nfs/dbraw/zinc/38/30/07/560383007.db2.gz GPOVQBMPKCYLDO-MRXNPFEDSA-N 1 0 364.427 2.009 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454192204 560433996 /nfs/dbraw/zinc/43/39/96/560433996.db2.gz BBNYNTIUVONPAK-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000456177175 560509775 /nfs/dbraw/zinc/50/97/75/560509775.db2.gz XAJVNIGPWKFDMT-UHFFFAOYSA-N 1 0 360.418 2.026 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000458221345 560609744 /nfs/dbraw/zinc/60/97/44/560609744.db2.gz ZMYUBENYBGQISP-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458709610 560642532 /nfs/dbraw/zinc/64/25/32/560642532.db2.gz VSYQMSCUMARNNT-UHFFFAOYSA-N 1 0 360.418 2.145 20 5 FEBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787937 560850982 /nfs/dbraw/zinc/85/09/82/560850982.db2.gz GCSCAYHCKGCZNR-ZWKOTPCHSA-N 1 0 364.421 2.490 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000465582087 560869159 /nfs/dbraw/zinc/86/91/59/560869159.db2.gz ZDBHITZRUICUMU-UHFFFAOYSA-N 1 0 368.437 2.493 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020997 560901751 /nfs/dbraw/zinc/90/17/51/560901751.db2.gz DAIHEBCVCZFTDS-SMDDNHRTSA-N 1 0 363.414 2.215 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127704 560904185 /nfs/dbraw/zinc/90/41/85/560904185.db2.gz HZEHGVMPXSHDCJ-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467132295 560904382 /nfs/dbraw/zinc/90/43/82/560904382.db2.gz TUROVRONDLNKDJ-ZDUSSCGKSA-N 1 0 351.403 2.433 20 5 FEBDRO CCN(CC)S(=O)(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468655295 560935126 /nfs/dbraw/zinc/93/51/26/560935126.db2.gz JCWVPFTVAJPFRW-KAMYIIQDSA-N 1 0 355.460 2.259 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470134256 560975088 /nfs/dbraw/zinc/97/50/88/560975088.db2.gz CQFYZYNESLXKJY-HNNXBMFYSA-N 1 0 354.382 2.308 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000470153213 560975591 /nfs/dbraw/zinc/97/55/91/560975591.db2.gz WZMWAOVKGCWCPO-NSHDSACASA-N 1 0 354.382 2.043 20 5 FEBDRO COC(=O)c1cn([C@H]2CC[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208205 560976732 /nfs/dbraw/zinc/97/67/32/560976732.db2.gz GOTDCSGSXBEQNL-OIQJVACTSA-N 1 0 371.397 2.323 20 5 FEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470813176 560990530 /nfs/dbraw/zinc/99/05/30/560990530.db2.gz TYFFNIUJEPSION-RDJZCZTQSA-N 1 0 359.405 2.429 20 5 FEBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471132176 560998801 /nfs/dbraw/zinc/99/88/01/560998801.db2.gz VEGNSBOXSDPAAP-BBRMVZONSA-N 1 0 359.430 2.334 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCOCC[NH+](C)C ZINC000471641160 561009457 /nfs/dbraw/zinc/00/94/57/561009457.db2.gz DTOMFZXERLBPSE-UHFFFAOYSA-N 1 0 352.435 2.093 20 5 FEBDRO C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000472601591 561030637 /nfs/dbraw/zinc/03/06/37/561030637.db2.gz NGZRXILCBTZREZ-CQSZACIVSA-N 1 0 368.409 2.155 20 5 FEBDRO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472636579 561031578 /nfs/dbraw/zinc/03/15/78/561031578.db2.gz GGIYJDMOWHOTNY-HZPDHXFCSA-N 1 0 357.414 2.424 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000474345189 561071736 /nfs/dbraw/zinc/07/17/36/561071736.db2.gz AFPBWEPQHMMSKE-JLZZUVOBSA-N 1 0 364.398 2.050 20 5 FEBDRO COc1c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000475591924 561100575 /nfs/dbraw/zinc/10/05/75/561100575.db2.gz QPTHMTLZORGELD-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000475697588 561102579 /nfs/dbraw/zinc/10/25/79/561102579.db2.gz GVDCQMJHMHZJFZ-UHFFFAOYSA-N 1 0 366.414 2.395 20 5 FEBDRO COC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475708040 561102840 /nfs/dbraw/zinc/10/28/40/561102840.db2.gz FKOVJZFXDLVKHV-AWEZNQCLSA-N 1 0 352.387 2.005 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000476252633 561114490 /nfs/dbraw/zinc/11/44/90/561114490.db2.gz MFMWPZACKXXEFS-CQSZACIVSA-N 1 0 365.430 2.176 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000477006948 561134215 /nfs/dbraw/zinc/13/42/15/561134215.db2.gz BACXNSBDZKPGOM-XHDPSFHLSA-N 1 0 363.443 2.203 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477068912 561135876 /nfs/dbraw/zinc/13/58/76/561135876.db2.gz KACYIOMTCIUVCD-IBGZPJMESA-N 1 0 359.426 2.377 20 5 FEBDRO COc1ccc(OCC[N@H+](CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000530700575 562420995 /nfs/dbraw/zinc/42/09/95/562420995.db2.gz KNPWVQSEULKEQJ-UHFFFAOYSA-N 1 0 368.430 2.234 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531824437 562458010 /nfs/dbraw/zinc/45/80/10/562458010.db2.gz DZHFEJRMOBSNQD-LBPRGKRZSA-N 1 0 351.403 2.072 20 5 FEBDRO COCC(=O)N1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000532511210 562479939 /nfs/dbraw/zinc/47/99/39/562479939.db2.gz RNIPJSCCRHHANZ-QGZVFWFLSA-N 1 0 361.442 2.143 20 5 FEBDRO CN(c1ccccc1)c1ccc(CN2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000532516049 562480121 /nfs/dbraw/zinc/48/01/21/562480121.db2.gz LPLDLLFAGSIEHI-UHFFFAOYSA-N 1 0 370.453 2.473 20 5 FEBDRO CS[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000541843665 567957541 /nfs/dbraw/zinc/95/75/41/567957541.db2.gz HXOLGFAFJGXLOW-HZPDHXFCSA-N 1 0 364.471 2.045 20 5 FEBDRO Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568976686 568259992 /nfs/dbraw/zinc/25/99/92/568259992.db2.gz CLIUJKYOLMZEQC-DZGCQCFKSA-N 1 0 350.444 2.231 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)cc1[N+](=O)[O-] ZINC000569356674 568396093 /nfs/dbraw/zinc/39/60/93/568396093.db2.gz JEAHHQUFHOVXRH-CQSZACIVSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000570553881 568486654 /nfs/dbraw/zinc/48/66/54/568486654.db2.gz RZDMMEBMYFELNX-ZDUSSCGKSA-N 1 0 374.397 2.399 20 5 FEBDRO CO[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000570833072 568539191 /nfs/dbraw/zinc/53/91/91/568539191.db2.gz NDVHJCTUCNQZSB-IACUBPJLSA-N 1 0 353.444 2.040 20 5 FEBDRO CNS(=O)(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000556937006 674428919 /nfs/dbraw/zinc/42/89/19/674428919.db2.gz UEFTZDWTCAHGTD-JLHYYAGUSA-N 1 0 353.444 2.012 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736264020 598500633 /nfs/dbraw/zinc/50/06/33/598500633.db2.gz AZDQTIXXXVNIBD-LLVKDONJSA-N 1 0 360.422 2.092 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557561994 674454195 /nfs/dbraw/zinc/45/41/95/674454195.db2.gz BJJWTEWJUDZHRG-CYBMUJFWSA-N 1 0 351.403 2.213 20 5 FEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000809821054 674512991 /nfs/dbraw/zinc/51/29/91/674512991.db2.gz HHFQCVBJYICEOP-IUCAKERBSA-N 1 0 365.814 2.148 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812320028 674665905 /nfs/dbraw/zinc/66/59/05/674665905.db2.gz AFLHQLMVADFDPS-PWSUYJOCSA-N 1 0 368.231 2.381 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000561748479 674695611 /nfs/dbraw/zinc/69/56/11/674695611.db2.gz LUSMAVPXPFPNKG-CYBMUJFWSA-N 1 0 354.428 2.379 20 5 FEBDRO C[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000813615208 674762140 /nfs/dbraw/zinc/76/21/40/674762140.db2.gz OSRBZWNKEAQQQH-VIFPVBQESA-N 1 0 369.365 2.498 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000564112179 674974476 /nfs/dbraw/zinc/97/44/76/674974476.db2.gz DWUNMKXOEKNRMB-HUUCEWRRSA-N 1 0 353.444 2.172 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000564325101 674995739 /nfs/dbraw/zinc/99/57/39/674995739.db2.gz LMXBBNHCFUQEEZ-CQSZACIVSA-N 1 0 367.471 2.197 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1C ZINC000564494099 675028206 /nfs/dbraw/zinc/02/82/06/675028206.db2.gz DQFFMYWODPIZPR-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000032663165 670130848 /nfs/dbraw/zinc/13/08/48/670130848.db2.gz SFMYMBHOCBCZAF-NSHDSACASA-N 1 0 350.375 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCC[C@H]2O)cc1 ZINC000564975335 675083941 /nfs/dbraw/zinc/08/39/41/675083941.db2.gz LRSRVMMCDQMODY-WMLDXEAASA-N 1 0 370.471 2.289 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000817146069 675104975 /nfs/dbraw/zinc/10/49/75/675104975.db2.gz COQVPWGZGWDYBB-UHFFFAOYSA-N 1 0 359.423 2.193 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108325591 670828549 /nfs/dbraw/zinc/82/85/49/670828549.db2.gz LPOQDODQZPUITG-LBPRGKRZSA-N 1 0 350.375 2.191 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817677849 675160586 /nfs/dbraw/zinc/16/05/86/675160586.db2.gz HXMUAKSRFPDNAF-LLVKDONJSA-N 1 0 368.821 2.373 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000573061177 671076359 /nfs/dbraw/zinc/07/63/59/671076359.db2.gz ZWZGZRUOEZFXLF-YGRLFVJLSA-N 1 0 368.231 2.442 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000817863486 675183453 /nfs/dbraw/zinc/18/34/53/675183453.db2.gz BVWBIFIQLIHMON-MXWKQRLJSA-N 1 0 361.851 2.242 20 5 FEBDRO CO[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000574444383 671241011 /nfs/dbraw/zinc/24/10/11/671241011.db2.gz SYXFEDCCEIXWTJ-NWDGAFQWSA-N 1 0 373.862 2.305 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000574493473 671246257 /nfs/dbraw/zinc/24/62/57/671246257.db2.gz IHTFFAJJMIVUDF-CYBMUJFWSA-N 1 0 372.491 2.377 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2nccs2)cc1 ZINC000575117622 671299374 /nfs/dbraw/zinc/29/93/74/671299374.db2.gz XYRKRWYZOUKFKC-UHFFFAOYSA-N 1 0 355.441 2.047 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000575141164 671301063 /nfs/dbraw/zinc/30/10/63/671301063.db2.gz LPDLPQZNWYOSIT-CYBMUJFWSA-N 1 0 365.821 2.497 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000575770985 671319306 /nfs/dbraw/zinc/31/93/06/671319306.db2.gz CDBRVQLYNBFUGU-UHFFFAOYSA-N 1 0 353.394 2.133 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576580860 671379234 /nfs/dbraw/zinc/37/92/34/671379234.db2.gz KACTWEMMENLOTJ-BZUAXINKSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576703149 671388297 /nfs/dbraw/zinc/38/82/97/671388297.db2.gz CTEKULKCDWAVHH-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000608800274 675904226 /nfs/dbraw/zinc/90/42/26/675904226.db2.gz LUCRZGLVVBKFRK-AWEZNQCLSA-N 1 0 365.459 2.279 20 5 FEBDRO CN(CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(C)(=O)=O ZINC000608836395 675905328 /nfs/dbraw/zinc/90/53/28/675905328.db2.gz VUJNAEWTJQDULW-UHFFFAOYSA-N 1 0 367.427 2.226 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000609352701 675920104 /nfs/dbraw/zinc/92/01/04/675920104.db2.gz DLOVXZQYPDSIBX-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000578050412 671637208 /nfs/dbraw/zinc/63/72/08/671637208.db2.gz AGQZJKDUVUXOQU-UHFFFAOYSA-N 1 0 367.402 2.103 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545623 675925662 /nfs/dbraw/zinc/92/56/62/675925662.db2.gz HCCNRFNQLUINLA-GFCCVEGCSA-N 1 0 361.851 2.401 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000578758231 671688003 /nfs/dbraw/zinc/68/80/03/671688003.db2.gz BCEINTNBXKYYBN-TZMCWYRMSA-N 1 0 367.471 2.470 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCn2ccc3cc(Cl)ccc32)c1 ZINC000579944871 671772202 /nfs/dbraw/zinc/77/22/02/671772202.db2.gz LTPAVBPHDHSKES-OAHLLOKOSA-N 1 0 363.805 2.050 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000580009817 671776145 /nfs/dbraw/zinc/77/61/45/671776145.db2.gz OHUBPOUAYXZQEP-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000580090007 671782549 /nfs/dbraw/zinc/78/25/49/671782549.db2.gz HXDPFHDFDVWSRU-NWDGAFQWSA-N 1 0 372.219 2.045 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119950465 671912878 /nfs/dbraw/zinc/91/28/78/671912878.db2.gz JEUAZRKCWZRDRR-IJLUTSLNSA-N 1 0 361.489 2.301 20 5 FEBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000582670094 672024121 /nfs/dbraw/zinc/02/41/21/672024121.db2.gz MUDAZXKUBSWIHE-GXTWGEPZSA-N 1 0 351.403 2.280 20 5 FEBDRO C[NH+](C)CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610400272 675969653 /nfs/dbraw/zinc/96/96/53/675969653.db2.gz YGOWWQDPYCKVQJ-UHFFFAOYSA-N 1 0 350.419 2.099 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000154031276 672209212 /nfs/dbraw/zinc/20/92/12/672209212.db2.gz WDEVELQOFTWGGM-OKILXGFUSA-N 1 0 350.419 2.476 20 5 FEBDRO C[C@@H](Cn1ccnc1)NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000159064500 672276806 /nfs/dbraw/zinc/27/68/06/672276806.db2.gz IKYLLIYNLMQBKI-VIFPVBQESA-N 1 0 353.176 2.372 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610906174 676004976 /nfs/dbraw/zinc/00/49/76/676004976.db2.gz QQIKGRKRNYPBAE-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO O=C(C[NH2+]C1(CO)CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000179064002 672398537 /nfs/dbraw/zinc/39/85/37/672398537.db2.gz ZNNDIIWWLXTPBA-UHFFFAOYSA-N 1 0 372.219 2.191 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000589103475 672505681 /nfs/dbraw/zinc/50/56/81/672505681.db2.gz LYONBRLIWZBYOI-LBPRGKRZSA-N 1 0 370.456 2.019 20 5 FEBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000589311764 672521525 /nfs/dbraw/zinc/52/15/25/672521525.db2.gz XFPGOAXKPRXMSW-MRVPVSSYSA-N 1 0 364.183 2.448 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCN1CCCS1(=O)=O)CCCC2 ZINC000591348330 672674449 /nfs/dbraw/zinc/67/44/49/672674449.db2.gz SSSJIIILDQGURO-QGZVFWFLSA-N 1 0 367.471 2.378 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1COCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592133485 672762201 /nfs/dbraw/zinc/76/22/01/672762201.db2.gz VTFWOWDNVVNHNM-BRWVUGGUSA-N 1 0 350.415 2.116 20 5 FEBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592369313 672792615 /nfs/dbraw/zinc/79/26/15/672792615.db2.gz LSVNFGRTIQJUQF-SNVBAGLBSA-N 1 0 369.365 2.265 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000592389118 672796358 /nfs/dbraw/zinc/79/63/58/672796358.db2.gz CMKDCRGIHIXHEG-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000592475609 672807318 /nfs/dbraw/zinc/80/73/18/672807318.db2.gz QHOZOCQCFJYLKE-LBPRGKRZSA-N 1 0 358.364 2.345 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592545162 672813251 /nfs/dbraw/zinc/81/32/51/672813251.db2.gz OJLGXFYOJBLDEB-LOWVWBTDSA-N 1 0 353.806 2.226 20 5 FEBDRO CSc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000592898292 672852197 /nfs/dbraw/zinc/85/21/97/672852197.db2.gz DTZXUHFEMJKCTP-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO C[C@H](CSc1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045597 672867636 /nfs/dbraw/zinc/86/76/36/672867636.db2.gz JIOXKCXNRXUUAT-HIFRSBDPSA-N 1 0 350.444 2.265 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000249690162 672873744 /nfs/dbraw/zinc/87/37/44/672873744.db2.gz QHQVBARMSKTBLP-NWDGAFQWSA-N 1 0 359.423 2.133 20 5 FEBDRO COc1ccc(CNC(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593314960 672907916 /nfs/dbraw/zinc/90/79/16/672907916.db2.gz CRFHZDXPLCWDAN-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529476 672934850 /nfs/dbraw/zinc/93/48/50/672934850.db2.gz BRWXRNFMHXJOOY-KBPBESRZSA-N 1 0 370.475 2.026 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593535184 672936331 /nfs/dbraw/zinc/93/63/31/672936331.db2.gz KAICYMHBWIATNG-STQMWFEESA-N 1 0 370.475 2.025 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000593918830 673008182 /nfs/dbraw/zinc/00/81/82/673008182.db2.gz KIVSLXOIUMSABC-BMFZPTHFSA-N 1 0 351.378 2.235 20 5 FEBDRO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000594046070 673025322 /nfs/dbraw/zinc/02/53/22/673025322.db2.gz ORFPJKWSHBRUIM-CQSZACIVSA-N 1 0 351.403 2.489 20 5 FEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C ZINC000594568625 673098530 /nfs/dbraw/zinc/09/85/30/673098530.db2.gz ZDQJOVZBQHDKFT-ZDUSSCGKSA-N 1 0 352.410 2.101 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749792 673128560 /nfs/dbraw/zinc/12/85/60/673128560.db2.gz ZEUBMYLUUAEBLO-KBPBESRZSA-N 1 0 370.475 2.026 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788071 673141945 /nfs/dbraw/zinc/14/19/45/673141945.db2.gz DDVHMWNGZOXIKJ-GFCCVEGCSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000594820262 673152450 /nfs/dbraw/zinc/15/24/50/673152450.db2.gz AFSOYOZFDUHBNH-SECBINFHSA-N 1 0 369.365 2.232 20 5 FEBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000594996982 673184871 /nfs/dbraw/zinc/18/48/71/673184871.db2.gz WRLAQEDEVVCLNK-NEPJUHHUSA-N 1 0 362.167 2.466 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000595115843 673195831 /nfs/dbraw/zinc/19/58/31/673195831.db2.gz LKSDZOMUAQINCB-MRXNPFEDSA-N 1 0 367.471 2.136 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC2([NH3+])CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000595232184 673212308 /nfs/dbraw/zinc/21/23/08/673212308.db2.gz VZRDWLXLYHRWNE-UHFFFAOYSA-N 1 0 350.375 2.083 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595382560 673239020 /nfs/dbraw/zinc/23/90/20/673239020.db2.gz WKWMENZNANVTNO-UHFFFAOYSA-N 1 0 357.476 2.177 20 5 FEBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595614799 673273692 /nfs/dbraw/zinc/27/36/92/673273692.db2.gz ILINSAMGVBBUOQ-HNNXBMFYSA-N 1 0 354.403 2.013 20 5 FEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595615956 673273780 /nfs/dbraw/zinc/27/37/80/673273780.db2.gz OGJXQBAVISJMPS-CQSZACIVSA-N 1 0 371.821 2.218 20 5 FEBDRO CCC(CC)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596069638 673355844 /nfs/dbraw/zinc/35/58/44/673355844.db2.gz HIQFRZBCBUEIAU-AWEZNQCLSA-N 1 0 358.464 2.021 20 5 FEBDRO COc1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596103253 673358948 /nfs/dbraw/zinc/35/89/48/673358948.db2.gz BIXUITAPYYRWFG-LLVKDONJSA-N 1 0 370.837 2.256 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596120755 673360789 /nfs/dbraw/zinc/36/07/89/673360789.db2.gz DMAXZNIJAIIOSH-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO CC(C)n1c(Sc2cc[nH]c(=O)c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000596131555 673361913 /nfs/dbraw/zinc/36/19/13/673361913.db2.gz PCBPAHLMWFDMJE-SNVBAGLBSA-N 1 0 364.431 2.486 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@H](C)[C@@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000596167558 673364627 /nfs/dbraw/zinc/36/46/27/673364627.db2.gz KPQPTDFFPGKLGG-SKDRFNHKSA-N 1 0 357.794 2.166 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000596422116 673383906 /nfs/dbraw/zinc/38/39/06/673383906.db2.gz AHRHGUWQHOLNBP-AWEZNQCLSA-N 1 0 362.817 2.244 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000537924061 673414170 /nfs/dbraw/zinc/41/41/70/673414170.db2.gz MHBAFIVCLRMHQQ-ZFWWWQNUSA-N 1 0 353.444 2.111 20 5 FEBDRO C[C@H](Cc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537970289 673415669 /nfs/dbraw/zinc/41/56/69/673415669.db2.gz OZBBFVHGQAEWDA-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000734485002 673464594 /nfs/dbraw/zinc/46/45/94/673464594.db2.gz QBBQXELKIKHRTD-UHFFFAOYSA-N 1 0 350.444 2.488 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000598539670 673580355 /nfs/dbraw/zinc/58/03/55/673580355.db2.gz KJOMWFOJTMKSIE-OAHLLOKOSA-N 1 0 369.849 2.360 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000598544219 673580983 /nfs/dbraw/zinc/58/09/83/673580983.db2.gz PXLGSTIMYDFCBL-CYBMUJFWSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000598584101 673586472 /nfs/dbraw/zinc/58/64/72/673586472.db2.gz BTOYFVNPHDWHKH-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000542498122 673586948 /nfs/dbraw/zinc/58/69/48/673586948.db2.gz OIHTZHJJLDNFDL-WWGRRREGSA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(C)c1[N+](=O)[O-] ZINC000598607414 673589141 /nfs/dbraw/zinc/58/91/41/673589141.db2.gz KGIKWDWYTXXIOK-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608639 673589854 /nfs/dbraw/zinc/58/98/54/673589854.db2.gz OIFCJYBLUPXLJZ-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598616879 673590964 /nfs/dbraw/zinc/59/09/64/673590964.db2.gz FNDZMHBLIRPMPA-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670260 673596784 /nfs/dbraw/zinc/59/67/84/673596784.db2.gz SUABAZBCOPIROU-GUYCJALGSA-N 1 0 365.455 2.176 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182781 673631447 /nfs/dbraw/zinc/63/14/47/673631447.db2.gz XWRBVTKJIHCTFR-UFGOTCBOSA-N 1 0 358.341 2.408 20 5 FEBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000599108569 673634051 /nfs/dbraw/zinc/63/40/51/673634051.db2.gz NKBLNPYAOYCNLX-UHFFFAOYSA-N 1 0 358.364 2.297 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599390511 673668470 /nfs/dbraw/zinc/66/84/70/673668470.db2.gz JAPXEHCRNKRTBY-MRXNPFEDSA-N 1 0 367.471 2.421 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464630 673678759 /nfs/dbraw/zinc/67/87/59/673678759.db2.gz OUJLJAIQHUPEKM-HNNXBMFYSA-N 1 0 353.444 2.198 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625974 673698616 /nfs/dbraw/zinc/69/86/16/673698616.db2.gz ROUDOSSJVKHVNH-UWCDFFNFSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625972 673698661 /nfs/dbraw/zinc/69/86/61/673698661.db2.gz ROUDOSSJVKHVNH-QLQJRFMMSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599674581 673705029 /nfs/dbraw/zinc/70/50/29/673705029.db2.gz CSENHFOYCIMAHA-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc(CN[C@]23CCC[C@@H]2C[NH2+]C3)c([N+](=O)[O-])cc1OC(F)F ZINC000601328018 673843195 /nfs/dbraw/zinc/84/31/95/673843195.db2.gz DPZSWJNODBZSFH-BZNIZROVSA-N 1 0 357.357 2.437 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601347027 673846278 /nfs/dbraw/zinc/84/62/78/673846278.db2.gz FQODTFJAEMOVPD-DTORHVGOSA-N 1 0 366.226 2.027 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC000601351366 673846573 /nfs/dbraw/zinc/84/65/73/673846573.db2.gz FRZXWVPQFMEVLY-ZWNOBZJWSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000601357941 673847965 /nfs/dbraw/zinc/84/79/65/673847965.db2.gz IRUQJGBQEJFGQN-ZDUSSCGKSA-N 1 0 373.500 2.461 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375552 673851186 /nfs/dbraw/zinc/85/11/86/673851186.db2.gz XPJRTNURKPBGLM-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000601404247 673856674 /nfs/dbraw/zinc/85/66/74/673856674.db2.gz VCOVQFLHDZILCV-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000601409569 673857586 /nfs/dbraw/zinc/85/75/86/673857586.db2.gz SEBLPYWLFNIGCX-UHFFFAOYSA-N 1 0 359.423 2.149 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601414853 673858523 /nfs/dbraw/zinc/85/85/23/673858523.db2.gz KNYZQRQPCKLHSF-PWSUYJOCSA-N 1 0 359.473 2.212 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000602494209 673907046 /nfs/dbraw/zinc/90/70/46/673907046.db2.gz FQIFCXJTDMNFGW-PHIMTYICSA-N 1 0 368.231 2.429 20 5 FEBDRO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000602510295 673907068 /nfs/dbraw/zinc/90/70/68/673907068.db2.gz LHESOGVBHRHMDO-YMTOWFKASA-N 1 0 356.220 2.414 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@]2(CCO)CCOC2)cc1Br ZINC000602569282 673907903 /nfs/dbraw/zinc/90/79/03/673907903.db2.gz OTCZCVQHPFEBNE-GFCCVEGCSA-N 1 0 365.249 2.298 20 5 FEBDRO C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000602551761 673908003 /nfs/dbraw/zinc/90/80/03/673908003.db2.gz DYTFVXBRFPTLNA-KOLCDFICSA-N 1 0 356.220 2.157 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987726 673914731 /nfs/dbraw/zinc/91/47/31/673914731.db2.gz PKZOJFXAWFDHSL-OUJBWJOFSA-N 1 0 361.320 2.024 20 5 FEBDRO CCOC(=O)COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566941949 675254547 /nfs/dbraw/zinc/25/45/47/675254547.db2.gz CKUWOIHYSZGFQI-UHFFFAOYSA-N 1 0 352.387 2.018 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000567036855 675261940 /nfs/dbraw/zinc/26/19/40/675261940.db2.gz IRJAYLHHOPEIOM-UHFFFAOYSA-N 1 0 367.402 2.103 20 5 FEBDRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819198497 675269245 /nfs/dbraw/zinc/26/92/45/675269245.db2.gz SEKPAYHYBLHNGJ-HNNXBMFYSA-N 1 0 351.403 2.085 20 5 FEBDRO CCOC(=O)c1csc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819257136 675274808 /nfs/dbraw/zinc/27/48/08/675274808.db2.gz STPRIMORQARZDZ-CQSZACIVSA-N 1 0 365.411 2.094 20 5 FEBDRO CCc1cnc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000567685239 675312540 /nfs/dbraw/zinc/31/25/40/675312540.db2.gz XTQBQPALOBQONG-UHFFFAOYSA-N 1 0 369.468 2.220 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820651863 675376667 /nfs/dbraw/zinc/37/66/67/675376667.db2.gz LHNWQENVOXOVGP-UHFFFAOYSA-N 1 0 372.828 2.378 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000823029825 675524199 /nfs/dbraw/zinc/52/41/99/675524199.db2.gz OKVKGWCRABHVGL-NSHDSACASA-N 1 0 368.821 2.373 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000823054765 675526437 /nfs/dbraw/zinc/52/64/37/675526437.db2.gz BWCKJNCCPKOHOR-SECBINFHSA-N 1 0 368.821 2.419 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000824427064 675601297 /nfs/dbraw/zinc/60/12/97/675601297.db2.gz IELHCUWDZOODAV-XHDPSFHLSA-N 1 0 352.822 2.484 20 5 FEBDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1)C(F)(F)F ZINC000824829787 675624327 /nfs/dbraw/zinc/62/43/27/675624327.db2.gz RBCJUBBYELKWOU-QWHCGFSZSA-N 1 0 357.332 2.437 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC000827449762 675756685 /nfs/dbraw/zinc/75/66/85/675756685.db2.gz JOKXUEZDJDVTIO-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C ZINC000827573800 675765939 /nfs/dbraw/zinc/76/59/39/675765939.db2.gz OXCGPFMTMHUWTD-VXGBXAGGSA-N 1 0 352.410 2.355 20 5 FEBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000603418300 675798773 /nfs/dbraw/zinc/79/87/73/675798773.db2.gz XRALMVKQYAJVCI-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000603640474 675800431 /nfs/dbraw/zinc/80/04/31/675800431.db2.gz GIVICHSIPYKUAU-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO C[NH+](C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1cccs1 ZINC000603929001 675802003 /nfs/dbraw/zinc/80/20/03/675802003.db2.gz MBGRMISALMEGTJ-GFCCVEGCSA-N 1 0 370.456 2.019 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCC1OCCO1)[C@H]1CC[C@H](O)CC1 ZINC000828816642 675846590 /nfs/dbraw/zinc/84/65/90/675846590.db2.gz CSGJVCSJAWMYKV-WKILWMFISA-N 1 0 350.415 2.463 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000829298749 675874977 /nfs/dbraw/zinc/87/49/77/675874977.db2.gz KNYSAJORMQXFCZ-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000838840836 680721831 /nfs/dbraw/zinc/72/18/31/680721831.db2.gz MZOCUXYFCDEQPG-ZDUSSCGKSA-N 1 0 350.419 2.455 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000839439257 680752866 /nfs/dbraw/zinc/75/28/66/680752866.db2.gz NEVAFSFKOUJCDS-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839715272 680774032 /nfs/dbraw/zinc/77/40/32/680774032.db2.gz CMRPXGYYGDHIFQ-DRABBMOASA-N 1 0 355.797 2.253 20 5 FEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830990625 679905981 /nfs/dbraw/zinc/90/59/81/679905981.db2.gz KEBXNPVNMNQVBU-PWSUYJOCSA-N 1 0 355.778 2.118 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990439 680093750 /nfs/dbraw/zinc/09/37/50/680093750.db2.gz VWQKMXWWGZIDRN-LBPRGKRZSA-N 1 0 366.849 2.147 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000834885851 680280061 /nfs/dbraw/zinc/28/00/61/680280061.db2.gz FNPVXCXEQXOVBU-CYBMUJFWSA-N 1 0 356.444 2.148 20 5 FEBDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754997358 680393190 /nfs/dbraw/zinc/39/31/90/680393190.db2.gz MPOUMMMKGFDDEM-SECBINFHSA-N 1 0 360.183 2.320 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368218 680458926 /nfs/dbraw/zinc/45/89/26/680458926.db2.gz MNZNUTCKJNGBGN-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000836847839 680522276 /nfs/dbraw/zinc/52/22/76/680522276.db2.gz FTMCGNNOLWEQMU-PELKAZGASA-N 1 0 372.194 2.273 20 5 FEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000766846835 680890079 /nfs/dbraw/zinc/89/00/79/680890079.db2.gz PQCKOOXMUVPSDC-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842479146 680949461 /nfs/dbraw/zinc/94/94/61/680949461.db2.gz XODGIKCHVFKHDD-WOPDTQHZSA-N 1 0 354.838 2.492 20 5 FEBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099167 680987537 /nfs/dbraw/zinc/98/75/37/680987537.db2.gz CJUTXSVDAJLWOV-IUODEOHRSA-N 1 0 368.411 2.063 20 5 FEBDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099170 680987591 /nfs/dbraw/zinc/98/75/91/680987591.db2.gz CJUTXSVDAJLWOV-WFASDCNBSA-N 1 0 368.411 2.063 20 5 FEBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CN(C(=O)OC(C)(C)C)C1 ZINC000843401091 681001837 /nfs/dbraw/zinc/00/18/37/681001837.db2.gz GNNIZFPNLBVDCV-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C)N1CCOCC1 ZINC000770021166 681003171 /nfs/dbraw/zinc/00/31/71/681003171.db2.gz SWDYKOLZNZGDKR-GHMZBOCLSA-N 1 0 356.810 2.479 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000845740203 681150090 /nfs/dbraw/zinc/15/00/90/681150090.db2.gz YHUYCHLSXACJBG-LLVKDONJSA-N 1 0 350.371 2.396 20 5 FEBDRO Cc1nsc(N2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776277596 681378936 /nfs/dbraw/zinc/37/89/36/681378936.db2.gz OLGGJQGFMARNCU-HNNXBMFYSA-N 1 0 363.443 2.000 20 5 FEBDRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000933393093 681403953 /nfs/dbraw/zinc/40/39/53/681403953.db2.gz REBITBAUFRVQHP-MGPLVRAMSA-N 1 0 351.790 2.488 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933466076 681417179 /nfs/dbraw/zinc/41/71/79/681417179.db2.gz YDZOURGBNZZTGN-CYBMUJFWSA-N 1 0 353.423 2.041 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC/C=C\Cl)c2)CC1 ZINC000934035643 681498793 /nfs/dbraw/zinc/49/87/93/681498793.db2.gz APIXRWIWQKTOQK-DJWKRKHSSA-N 1 0 353.810 2.221 20 5 FEBDRO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581458 681582766 /nfs/dbraw/zinc/58/27/66/681582766.db2.gz NKKAFROVOYZBCV-CYBMUJFWSA-N 1 0 355.341 2.263 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000848589988 681585038 /nfs/dbraw/zinc/58/50/38/681585038.db2.gz JAEHCSSJIAKBMT-HNNXBMFYSA-N 1 0 355.341 2.121 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000848792708 681621694 /nfs/dbraw/zinc/62/16/94/681621694.db2.gz BPTPKTQXYJGWKW-CYBMUJFWSA-N 1 0 350.375 2.194 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912902760 685466026 /nfs/dbraw/zinc/46/60/26/685466026.db2.gz FRVUEPOHZJYSCB-NSHDSACASA-N 1 0 366.805 2.127 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916682 685466681 /nfs/dbraw/zinc/46/66/81/685466681.db2.gz ZOXZKUHBNCLEKW-NSHDSACASA-N 1 0 354.204 2.278 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849411796 681719963 /nfs/dbraw/zinc/71/99/63/681719963.db2.gz TWKQOKILLGLADJ-NSHDSACASA-N 1 0 359.423 2.133 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913384646 685476041 /nfs/dbraw/zinc/47/60/41/685476041.db2.gz AAXKJZKQPHKJDT-UHFFFAOYSA-N 1 0 372.828 2.031 20 5 FEBDRO C[NH+](C)CCn1ccc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)n1 ZINC000913385473 685476121 /nfs/dbraw/zinc/47/61/21/685476121.db2.gz BYVROTJKPWANIA-UHFFFAOYSA-N 1 0 369.784 2.075 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000913393137 685476231 /nfs/dbraw/zinc/47/62/31/685476231.db2.gz RQWPFKPKNVKIFA-UHFFFAOYSA-N 1 0 352.410 2.356 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1Cl ZINC000913677481 685481905 /nfs/dbraw/zinc/48/19/05/685481905.db2.gz RBBODBKXEWHCGU-UHFFFAOYSA-N 1 0 355.822 2.085 20 5 FEBDRO C[NH+]1CCC(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000935878159 681843243 /nfs/dbraw/zinc/84/32/43/681843243.db2.gz CGCHNEQKESQYCS-UHFFFAOYSA-N 1 0 372.219 2.407 20 5 FEBDRO CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000850607794 681925318 /nfs/dbraw/zinc/92/53/18/681925318.db2.gz RLKFIGFCAJVBPB-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@H+](CC)C1 ZINC000850607231 681925328 /nfs/dbraw/zinc/92/53/28/681925328.db2.gz UZWUYLGIHXRISA-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO C[NH+](C)CCNC(=S)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000782387613 682036718 /nfs/dbraw/zinc/03/67/18/682036718.db2.gz OLGFUHNKGUDDRW-UHFFFAOYSA-N 1 0 350.366 2.139 20 5 FEBDRO CC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000852166962 682231131 /nfs/dbraw/zinc/23/11/31/682231131.db2.gz KOARAXIMIJPVAX-CYBMUJFWSA-N 1 0 352.410 2.479 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917908866 685535587 /nfs/dbraw/zinc/53/55/87/685535587.db2.gz KDYDLMFIRHVIMY-VXGBXAGGSA-N 1 0 359.835 2.153 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000852762226 682338648 /nfs/dbraw/zinc/33/86/48/682338648.db2.gz KBOBYJSTGSUHBG-HNNXBMFYSA-N 1 0 352.391 2.046 20 5 FEBDRO COc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])cc1OC ZINC000853918769 682488835 /nfs/dbraw/zinc/48/88/35/682488835.db2.gz OXOYPHOMZLCPQS-CYBMUJFWSA-N 1 0 351.403 2.277 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854329497 682537654 /nfs/dbraw/zinc/53/76/54/682537654.db2.gz BMUZYCRJXZNZNA-ZDUSSCGKSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854352471 682541319 /nfs/dbraw/zinc/54/13/19/682541319.db2.gz DDESJOITGYDAAL-LLVKDONJSA-N 1 0 373.240 2.021 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855164142 682634457 /nfs/dbraw/zinc/63/44/57/682634457.db2.gz IGMNFMPWSITJBV-NSHDSACASA-N 1 0 352.410 2.403 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791209380 682728599 /nfs/dbraw/zinc/72/85/99/682728599.db2.gz ODGZJUORDYNDMD-UHFFFAOYSA-N 1 0 352.410 2.262 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000791835933 682769771 /nfs/dbraw/zinc/76/97/71/682769771.db2.gz GPSRRJQGEOVVPB-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H](C)[NH2+]1 ZINC000856409112 682776872 /nfs/dbraw/zinc/77/68/72/682776872.db2.gz DLPNOHJXNMTUDF-JOYOIKCWSA-N 1 0 350.375 2.332 20 5 FEBDRO O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768464 682911120 /nfs/dbraw/zinc/91/11/20/682911120.db2.gz RNETZCZMXJAULX-HNNXBMFYSA-N 1 0 355.341 2.169 20 5 FEBDRO CCO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CN(C)C ZINC000926960221 683189465 /nfs/dbraw/zinc/18/94/65/683189465.db2.gz FQNFLICZWQDXNP-GOSISDBHSA-N 1 0 350.463 2.120 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160217 683315916 /nfs/dbraw/zinc/31/59/16/683315916.db2.gz GDQSRGISNQGHCC-JTQLQIEISA-N 1 0 371.235 2.357 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000861031981 683334132 /nfs/dbraw/zinc/33/41/32/683334132.db2.gz FXPXREIFRPCUGQ-AWEZNQCLSA-N 1 0 354.428 2.341 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094200 683384616 /nfs/dbraw/zinc/38/46/16/683384616.db2.gz AMAKRRMCNPEVAD-IUODEOHRSA-N 1 0 360.439 2.386 20 5 FEBDRO CCO[C@@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000921336517 683430093 /nfs/dbraw/zinc/43/00/93/683430093.db2.gz OUTJTJPPNXPWGE-HIFRSBDPSA-N 1 0 352.435 2.230 20 5 FEBDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000922457919 683727107 /nfs/dbraw/zinc/72/71/07/683727107.db2.gz MSGSOEHNKFBPOQ-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922624393 683757114 /nfs/dbraw/zinc/75/71/14/683757114.db2.gz PMJMGVPQEILKQK-UHFFFAOYSA-N 1 0 356.806 2.386 20 5 FEBDRO CCC[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1CCOC ZINC000865650232 684010539 /nfs/dbraw/zinc/01/05/39/684010539.db2.gz AEPZXNGPIOXWNY-AWEZNQCLSA-N 1 0 355.410 2.163 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000866326867 684092348 /nfs/dbraw/zinc/09/23/48/684092348.db2.gz NMWWULSIEROXHE-IUODEOHRSA-N 1 0 354.378 2.177 20 5 FEBDRO O=C(CCN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717813 684139123 /nfs/dbraw/zinc/13/91/23/684139123.db2.gz PTVQRINVRSSAMR-MLGOLLRUSA-N 1 0 350.394 2.136 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1F ZINC000866750600 684145197 /nfs/dbraw/zinc/14/51/97/684145197.db2.gz ONCHMAUZGZPNKW-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000931296453 684257411 /nfs/dbraw/zinc/25/74/11/684257411.db2.gz HKBYZIUUCOXRGV-QWHCGFSZSA-N 1 0 368.821 2.311 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923518234 684296241 /nfs/dbraw/zinc/29/62/41/684296241.db2.gz DDBNLCXXHKOSTC-CMPLNLGQSA-N 1 0 357.357 2.246 20 5 FEBDRO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000931654165 684320881 /nfs/dbraw/zinc/32/08/81/684320881.db2.gz YYQBTHNSGPKTNY-SECBINFHSA-N 1 0 356.785 2.280 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1C ZINC000923732033 684341806 /nfs/dbraw/zinc/34/18/06/684341806.db2.gz PWRIUWSAJNOGEK-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000872662594 685000419 /nfs/dbraw/zinc/00/04/19/685000419.db2.gz JCSDVNVIMXZIOK-GJZGRUSLSA-N 1 0 353.444 2.069 20 5 FEBDRO COc1cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000873228414 685099947 /nfs/dbraw/zinc/09/99/47/685099947.db2.gz UFYJBRIYUGPFCM-WDEREUQCSA-N 1 0 363.336 2.181 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828154 685676514 /nfs/dbraw/zinc/67/65/14/685676514.db2.gz FVTVRFIRSPSMCL-NEPJUHHUSA-N 1 0 369.219 2.061 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000877365924 686365676 /nfs/dbraw/zinc/36/56/76/686365676.db2.gz IIOOEDCLESYBNE-JOYOIKCWSA-N 1 0 363.361 2.283 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000877373532 686367912 /nfs/dbraw/zinc/36/79/12/686367912.db2.gz BJLRXMNOIUYBOF-IINYFYTJSA-N 1 0 354.204 2.039 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878219756 686543656 /nfs/dbraw/zinc/54/36/56/686543656.db2.gz PEIDFXPXKUFRGD-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000878867069 686677634 /nfs/dbraw/zinc/67/76/34/686677634.db2.gz ZXOCJPVZRHUQJD-HNNXBMFYSA-N 1 0 372.263 2.246 20 5 FEBDRO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000880060829 686990177 /nfs/dbraw/zinc/99/01/77/686990177.db2.gz YSPRPWGRCLMFML-TVQRCGJNSA-N 1 0 361.320 2.235 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863593 687237619 /nfs/dbraw/zinc/23/76/19/687237619.db2.gz CJYVYBQRNRPPME-GFCCVEGCSA-N 1 0 356.220 2.458 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000882139811 687311562 /nfs/dbraw/zinc/31/15/62/687311562.db2.gz AQDXKFVJSBGPTD-UHFFFAOYSA-N 1 0 351.426 2.124 20 5 FEBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883374675 687618069 /nfs/dbraw/zinc/61/80/69/687618069.db2.gz LPABJOZZTKZDFW-QCEMKRCNSA-N 1 0 352.456 2.471 20 5 FEBDRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000883456841 687634735 /nfs/dbraw/zinc/63/47/35/687634735.db2.gz LSIIHXHCIHKFBL-UHFFFAOYSA-N 1 0 352.822 2.405 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959452 687975560 /nfs/dbraw/zinc/97/55/60/687975560.db2.gz LOYQMUSWMYNXTR-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958136 687975957 /nfs/dbraw/zinc/97/59/57/687975957.db2.gz ZLCMXNCRFCRWTF-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000885857829 688170549 /nfs/dbraw/zinc/17/05/49/688170549.db2.gz IHAXSWTXDBVRPS-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885872746 688174771 /nfs/dbraw/zinc/17/47/71/688174771.db2.gz JBYKWMKUMURMOW-AWEZNQCLSA-N 1 0 351.378 2.025 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899565 688336561 /nfs/dbraw/zinc/33/65/61/688336561.db2.gz OHJVVJAQMZHNGG-INIZCTEOSA-N 1 0 353.444 2.058 20 5 FEBDRO COc1cc(OCC(=O)N(C)CC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000890884181 688979255 /nfs/dbraw/zinc/97/92/55/688979255.db2.gz ZIPNACQSYSHNKJ-UHFFFAOYSA-N 1 0 353.419 2.028 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892080271 689147653 /nfs/dbraw/zinc/14/76/53/689147653.db2.gz WGGCZDWFDNKGNV-CABZTGNLSA-N 1 0 371.235 2.155 20 5 FEBDRO C[C@]1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892781111 689242932 /nfs/dbraw/zinc/24/29/32/689242932.db2.gz UZKOBBFEFOIMKG-INIZCTEOSA-N 1 0 355.341 2.410 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000893133770 689301644 /nfs/dbraw/zinc/30/16/44/689301644.db2.gz COXLAODQRRNPSL-GFCCVEGCSA-N 1 0 351.794 2.091 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894047627 689456365 /nfs/dbraw/zinc/45/63/65/689456365.db2.gz PFLNSOMMOYYATA-DYVFJYSZSA-N 1 0 366.849 2.384 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCC[NH+]1CCC(O)CC1 ZINC000894105210 689467729 /nfs/dbraw/zinc/46/77/29/689467729.db2.gz FRXHNXLIBVVAIQ-UHFFFAOYSA-N 1 0 350.806 2.087 20 5 FEBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895797660 689773012 /nfs/dbraw/zinc/77/30/12/689773012.db2.gz NNJSHMJACCAGEY-XOUADPBQSA-N 1 0 352.456 2.329 20 5 FEBDRO CN(c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1)S(C)(=O)=O ZINC000898283959 690154283 /nfs/dbraw/zinc/15/42/83/690154283.db2.gz FYXYLWBONHTDRP-UHFFFAOYSA-N 1 0 363.439 2.323 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000900934900 690590000 /nfs/dbraw/zinc/59/00/00/690590000.db2.gz BCCWDGTWEWVCBO-UHFFFAOYSA-N 1 0 371.796 2.324 20 5 FEBDRO CCO[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000902951300 690823137 /nfs/dbraw/zinc/82/31/37/690823137.db2.gz NELHCIDGYPRSAG-HIFRSBDPSA-N 1 0 356.444 2.306 20 5 FEBDRO O=[N+]([O-])c1ccc(CCO)c(-c2nc(C(F)(F)F)n3c2C[NH2+]CC3)c1 ZINC000904813673 691046856 /nfs/dbraw/zinc/04/68/56/691046856.db2.gz LMNIRUFLCAEBHP-UHFFFAOYSA-N 1 0 356.304 2.115 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000905359805 691108222 /nfs/dbraw/zinc/10/82/22/691108222.db2.gz OMPSTRACWQXGNN-MRXNPFEDSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000905428806 691117423 /nfs/dbraw/zinc/11/74/23/691117423.db2.gz WPQQMAOQUQXHCU-DZGCQCFKSA-N 1 0 373.247 2.359 20 5 FEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000907853998 691570957 /nfs/dbraw/zinc/57/09/57/691570957.db2.gz SKGHNVXXWNYVBT-UHFFFAOYSA-N 1 0 359.835 2.107 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000908541074 691695642 /nfs/dbraw/zinc/69/56/42/691695642.db2.gz PJGJOMXUGAEZPI-CQSZACIVSA-N 1 0 369.849 2.144 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@H]3C2)cnc1Cl ZINC001164402687 718861069 /nfs/dbraw/zinc/86/10/69/718861069.db2.gz LGIDOCXBYDXKEI-CABZTGNLSA-N 1 0 362.764 2.003 20 5 FEBDRO COc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723586 720352233 /nfs/dbraw/zinc/35/22/33/720352233.db2.gz IBQIALFHBRVSNK-GJZGRUSLSA-N 1 0 355.398 2.247 20 5 FEBDRO COc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724295 720370719 /nfs/dbraw/zinc/37/07/19/720370719.db2.gz JCYVTHALDRVIOY-GJZGRUSLSA-N 1 0 355.398 2.247 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928545 721858431 /nfs/dbraw/zinc/85/84/31/721858431.db2.gz OEYCUIHQQQOYRW-CHWSQXEVSA-N 1 0 353.854 2.166 20 5 FEBDRO CC(C)Oc1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164966973 722076055 /nfs/dbraw/zinc/07/60/55/722076055.db2.gz HTADXKIZWVAQGY-GASCZTMLSA-N 1 0 362.430 2.076 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000028013609 539823916 /nfs/dbraw/zinc/82/39/16/539823916.db2.gz NRVKAYDBKVFDJY-CYBMUJFWSA-N 1 0 355.822 2.335 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000032715635 539948461 /nfs/dbraw/zinc/94/84/61/539948461.db2.gz GEBOSBQLIFYFGY-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041664464 540029687 /nfs/dbraw/zinc/02/96/87/540029687.db2.gz VZWNXKVUVGHMPP-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041729097 540031364 /nfs/dbraw/zinc/03/13/64/540031364.db2.gz VJWSXTUNRBOIRJ-OKILXGFUSA-N 1 0 362.430 2.018 20 5 FEBDRO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045262843 540208074 /nfs/dbraw/zinc/20/80/74/540208074.db2.gz BIEOTVURFDSOGS-CQSZACIVSA-N 1 0 365.393 2.475 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744923 540225025 /nfs/dbraw/zinc/22/50/25/540225025.db2.gz NCIKSWNPHJFTQV-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000045802178 540228873 /nfs/dbraw/zinc/22/88/73/540228873.db2.gz SUUFUDBUYMOAPN-MRXNPFEDSA-N 1 0 370.475 2.165 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000046879095 540274770 /nfs/dbraw/zinc/27/47/70/540274770.db2.gz NITNVJQTMLCXCW-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000047284806 540301744 /nfs/dbraw/zinc/30/17/44/540301744.db2.gz QAOVGSGKJDNQEA-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000049298750 540387271 /nfs/dbraw/zinc/38/72/71/540387271.db2.gz DUBCKQLRZYLMJA-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052305701 540461729 /nfs/dbraw/zinc/46/17/29/540461729.db2.gz PDQWAVJEVMTGBW-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO Cc1nn(C)c(NCCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051956898 540448406 /nfs/dbraw/zinc/44/84/06/540448406.db2.gz GQHVDIIZTMRAPI-UHFFFAOYSA-N 1 0 372.473 2.257 20 5 FEBDRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000052849031 540493444 /nfs/dbraw/zinc/49/34/44/540493444.db2.gz HOECSRWNERPVCD-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052954617 540501960 /nfs/dbraw/zinc/50/19/60/540501960.db2.gz CJRTUHNKCSVJLG-OAHLLOKOSA-N 1 0 357.414 2.209 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000535593124 540487457 /nfs/dbraw/zinc/48/74/57/540487457.db2.gz ZTBRNHRSFSCQDG-MRXNPFEDSA-N 1 0 369.425 2.409 20 5 FEBDRO CNC(=O)c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000053573062 540543822 /nfs/dbraw/zinc/54/38/22/540543822.db2.gz YAGNRGXGDSRQMW-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000053992899 540564036 /nfs/dbraw/zinc/56/40/36/540564036.db2.gz LYFJAISMUFTZFX-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1C ZINC000060506309 541115722 /nfs/dbraw/zinc/11/57/22/541115722.db2.gz SLMAAJBGYHKEPQ-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000065869116 541267789 /nfs/dbraw/zinc/26/77/89/541267789.db2.gz YVJMXURCCNDGLZ-UHFFFAOYSA-N 1 0 371.441 2.189 20 5 FEBDRO CCCC[NH+]1CCC(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000066371860 541309626 /nfs/dbraw/zinc/30/96/26/541309626.db2.gz DEDKFZMOXDDEBA-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069042044 541651572 /nfs/dbraw/zinc/65/15/72/541651572.db2.gz NPGXSHBMFGLZSC-UHFFFAOYSA-N 1 0 350.419 2.146 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000069139325 541662405 /nfs/dbraw/zinc/66/24/05/541662405.db2.gz YDFGJYCXOIRYDO-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000069470104 541687836 /nfs/dbraw/zinc/68/78/36/541687836.db2.gz VTSUFUQCMYPAHB-AWEZNQCLSA-N 1 0 362.430 2.290 20 5 FEBDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000074142376 542043458 /nfs/dbraw/zinc/04/34/58/542043458.db2.gz LUINFYHCJNGGDL-UHFFFAOYSA-N 1 0 359.382 2.075 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000110676223 206333493 /nfs/dbraw/zinc/33/34/93/206333493.db2.gz HZSPZAVJOZAXFG-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000074746917 542116859 /nfs/dbraw/zinc/11/68/59/542116859.db2.gz XHDWINJIHSYLMU-UHFFFAOYSA-N 1 0 357.414 2.202 20 5 FEBDRO Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075747079 542202377 /nfs/dbraw/zinc/20/23/77/542202377.db2.gz NYDOZPVRLYTQER-DLBZAZTESA-N 1 0 362.455 2.251 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485690 542284392 /nfs/dbraw/zinc/28/43/92/542284392.db2.gz RLNNCOWAIOLFLD-MLGOLLRUSA-N 1 0 363.414 2.184 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000078523212 542465517 /nfs/dbraw/zinc/46/55/17/542465517.db2.gz BUKPHNCFKXHSJP-GFCCVEGCSA-N 1 0 358.236 2.250 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000079945556 542552446 /nfs/dbraw/zinc/55/24/46/542552446.db2.gz RMWMYZUPILEEHP-IUODEOHRSA-N 1 0 357.414 2.409 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000079888858 542547643 /nfs/dbraw/zinc/54/76/43/542547643.db2.gz KHVPQOLCVJYTIY-WMLDXEAASA-N 1 0 364.446 2.312 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[NH+]1CCC(OC)CC1 ZINC000080249987 542578878 /nfs/dbraw/zinc/57/88/78/542578878.db2.gz HCJZEUMQDBEUKN-UHFFFAOYSA-N 1 0 369.393 2.433 20 5 FEBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000082992229 542688894 /nfs/dbraw/zinc/68/88/94/542688894.db2.gz MTVUARJJFHDVEI-UHFFFAOYSA-N 1 0 358.398 2.013 20 5 FEBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824168 542827243 /nfs/dbraw/zinc/82/72/43/542827243.db2.gz UAMBPKMPYGZDOE-UHFFFAOYSA-N 1 0 370.409 2.034 20 5 FEBDRO Cc1ccc(NCCCNc2cc(-n3cccn3)nc(N)[nH+]2)c([N+](=O)[O-])c1 ZINC000092915010 542895747 /nfs/dbraw/zinc/89/57/47/542895747.db2.gz NWPOTUZDTZULHL-UHFFFAOYSA-N 1 0 368.401 2.375 20 5 FEBDRO Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103133624 543093970 /nfs/dbraw/zinc/09/39/70/543093970.db2.gz MYVQISPODTUFRW-INIZCTEOSA-N 1 0 368.437 2.471 20 5 FEBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000104943117 543152151 /nfs/dbraw/zinc/15/21/51/543152151.db2.gz NPCFMPGCMXLDQV-UHFFFAOYSA-N 1 0 370.409 2.432 20 5 FEBDRO Cn1ccnc1CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106164441 543211394 /nfs/dbraw/zinc/21/13/94/543211394.db2.gz CUBUNVJTNPTRPT-QGZVFWFLSA-N 1 0 374.441 2.023 20 5 FEBDRO COc1cc(OCC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106791214 543247328 /nfs/dbraw/zinc/24/73/28/543247328.db2.gz BWKQWDVYRLTNLH-ZDUSSCGKSA-N 1 0 363.414 2.115 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891886 543252912 /nfs/dbraw/zinc/25/29/12/543252912.db2.gz JWPPTIWNBCWCDK-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106891803 543253150 /nfs/dbraw/zinc/25/31/50/543253150.db2.gz MYOPLNKXGPPNMX-CQSZACIVSA-N 1 0 353.444 2.031 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111614770 543409035 /nfs/dbraw/zinc/40/90/35/543409035.db2.gz ZTHKRPUFZUAUHG-LBPRGKRZSA-N 1 0 370.409 2.183 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112921747 543468543 /nfs/dbraw/zinc/46/85/43/543468543.db2.gz JMUUFPJQUVUFAQ-CQSZACIVSA-N 1 0 373.457 2.080 20 5 FEBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989176 543471091 /nfs/dbraw/zinc/47/10/91/543471091.db2.gz NMSRRPGRTMQIOC-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000113197967 543476978 /nfs/dbraw/zinc/47/69/78/543476978.db2.gz GJYOKXCZGZASRK-OAHLLOKOSA-N 1 0 372.429 2.170 20 5 FEBDRO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000114645076 543528110 /nfs/dbraw/zinc/52/81/10/543528110.db2.gz DOQBOFVTQRMEKD-INIZCTEOSA-N 1 0 371.441 2.307 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000115275291 543557455 /nfs/dbraw/zinc/55/74/55/543557455.db2.gz NXIHSRXALKAVCD-DYVFJYSZSA-N 1 0 364.446 2.165 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115586097 543576355 /nfs/dbraw/zinc/57/63/55/543576355.db2.gz JDLPTGCGRDSUIW-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO COC(=O)CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000117341757 543629410 /nfs/dbraw/zinc/62/94/10/543629410.db2.gz DPMBTYVDDPFPAZ-UHFFFAOYSA-N 1 0 365.386 2.166 20 5 FEBDRO C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000124597625 543831924 /nfs/dbraw/zinc/83/19/24/543831924.db2.gz PBVAHRPQGNPTTP-IHRRRGAJSA-N 1 0 363.418 2.095 20 5 FEBDRO Nc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126827786 543958514 /nfs/dbraw/zinc/95/85/14/543958514.db2.gz BTPRUOJLRQYYHI-ABAIWWIYSA-N 1 0 362.405 2.405 20 5 FEBDRO O=C(CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134872237 544324530 /nfs/dbraw/zinc/32/45/30/544324530.db2.gz WBLLTRQOKAHFFW-PBHICJAKSA-N 1 0 358.442 2.482 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134934443 544328567 /nfs/dbraw/zinc/32/85/67/544328567.db2.gz OGISUJRCIUNJCZ-PBHICJAKSA-N 1 0 371.441 2.269 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COC1CCOCC1)C1CC1 ZINC000135223883 544338334 /nfs/dbraw/zinc/33/83/34/544338334.db2.gz KIFHQQNPGDFHQM-INIZCTEOSA-N 1 0 350.415 2.116 20 5 FEBDRO NS(=O)(=O)c1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000147371802 544445754 /nfs/dbraw/zinc/44/57/54/544445754.db2.gz BJNXNBUDXBZBNS-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO COc1cc(S(=O)(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000150825012 544476237 /nfs/dbraw/zinc/47/62/37/544476237.db2.gz YEZPCNNVDODYLP-UHFFFAOYSA-N 1 0 373.475 2.391 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000151161507 544511262 /nfs/dbraw/zinc/51/12/62/544511262.db2.gz WJUSPGUFMKPEKI-HNNXBMFYSA-N 1 0 369.425 2.447 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151637243 544565744 /nfs/dbraw/zinc/56/57/44/544565744.db2.gz IKKPPAXTJWHRLC-LBPRGKRZSA-N 1 0 373.862 2.355 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000152310049 544638065 /nfs/dbraw/zinc/63/80/65/544638065.db2.gz BCQAHMQPGYWOMI-UHFFFAOYSA-N 1 0 358.398 2.121 20 5 FEBDRO C[C@@H]1CN(C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000153294693 544757440 /nfs/dbraw/zinc/75/74/40/544757440.db2.gz BXNZJNKTRMDTNA-KHYOSLBOSA-N 1 0 363.458 2.029 20 5 FEBDRO C[NH+](C)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000153300807 544758326 /nfs/dbraw/zinc/75/83/26/544758326.db2.gz FOIBQWWFUVYSAD-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000153421844 544773417 /nfs/dbraw/zinc/77/34/17/544773417.db2.gz BDFVJCRUMRFARN-RDTXWAMCSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000154164463 544871826 /nfs/dbraw/zinc/87/18/26/544871826.db2.gz OMBXIFDPTAZTAC-UHFFFAOYSA-N 1 0 351.451 2.345 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS1(=O)=O ZINC000552579111 674215658 /nfs/dbraw/zinc/21/56/58/674215658.db2.gz SMKNLVCANQROQQ-IMJJTQAJSA-N 1 0 352.456 2.473 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000553415369 674259880 /nfs/dbraw/zinc/25/98/80/674259880.db2.gz GJZFWPKMDRLXDS-CHWSQXEVSA-N 1 0 350.419 2.394 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cccs1 ZINC000179949645 327665641 /nfs/dbraw/zinc/66/56/41/327665641.db2.gz JLJRRHYFGYTQCL-GFCCVEGCSA-N 1 0 363.395 2.418 20 5 FEBDRO Cc1ccc(F)cc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000180142013 327673236 /nfs/dbraw/zinc/67/32/36/327673236.db2.gz GKYQJPPOOPHEMC-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181904946 327752044 /nfs/dbraw/zinc/75/20/44/327752044.db2.gz QDVQLWLZOJAOPB-QAPCUYQASA-N 1 0 352.431 2.255 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182680756 327784581 /nfs/dbraw/zinc/78/45/81/327784581.db2.gz BNWBXYYNDKCMJF-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000182902742 327793036 /nfs/dbraw/zinc/79/30/36/327793036.db2.gz NZZKXGMVRKMHGL-INIZCTEOSA-N 1 0 359.382 2.255 20 5 FEBDRO CCC(CC)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000183747073 327833646 /nfs/dbraw/zinc/83/36/46/327833646.db2.gz RVQWLGDJZJZXFT-CYBMUJFWSA-N 1 0 358.464 2.021 20 5 FEBDRO Nc1ccc(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186576103 327968863 /nfs/dbraw/zinc/96/88/63/327968863.db2.gz BAEULEFXRNWNFF-MRXNPFEDSA-N 1 0 369.425 2.357 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188125176 328067892 /nfs/dbraw/zinc/06/78/92/328067892.db2.gz KRBDIRNZHQMUAL-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000188681068 328103811 /nfs/dbraw/zinc/10/38/11/328103811.db2.gz MNEISASVNBDCTL-OLZOCXBDSA-N 1 0 367.421 2.141 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]2CCC1CC2 ZINC000188848812 328114028 /nfs/dbraw/zinc/11/40/28/328114028.db2.gz HNKRCOKMIDLGOT-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189127938 328130059 /nfs/dbraw/zinc/13/00/59/328130059.db2.gz SLMDBBCNLAXPHD-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190042566 328184255 /nfs/dbraw/zinc/18/42/55/328184255.db2.gz FLIBQHIEGUXKAP-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000190046109 328184315 /nfs/dbraw/zinc/18/43/15/328184315.db2.gz WSMCSBVJQXJDIA-GFCCVEGCSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190064150 328185507 /nfs/dbraw/zinc/18/55/07/328185507.db2.gz JXPPBENIHCHVRZ-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO O=C1C[C@@H](N2CCC([C@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079889 328186366 /nfs/dbraw/zinc/18/63/66/328186366.db2.gz HRBZKDXPTNMDHQ-IAGOWNOFSA-N 1 0 373.409 2.118 20 5 FEBDRO CCOCCOCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190293303 328198798 /nfs/dbraw/zinc/19/87/98/328198798.db2.gz ROYHTUMEJRFQTD-CQSZACIVSA-N 1 0 353.419 2.215 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191155661 328252115 /nfs/dbraw/zinc/25/21/15/328252115.db2.gz ZUBUMFYEDPLAFY-ONXXMXGDSA-N 1 0 351.403 2.166 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)n1 ZINC000191614520 328274039 /nfs/dbraw/zinc/27/40/39/328274039.db2.gz HLSTZOPYKZBJSR-UHFFFAOYSA-N 1 0 363.393 2.154 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191987166 328291959 /nfs/dbraw/zinc/29/19/59/328291959.db2.gz JAWPYTGLTIEWOB-KBPBESRZSA-N 1 0 355.460 2.172 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191998901 328292818 /nfs/dbraw/zinc/29/28/18/328292818.db2.gz BZHUHCZNFCDENR-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191999112 328292941 /nfs/dbraw/zinc/29/29/41/328292941.db2.gz OAZXIKGCZJWXIU-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000192640876 328330451 /nfs/dbraw/zinc/33/04/51/328330451.db2.gz HMCVQYRABKLXTJ-UHFFFAOYSA-N 1 0 351.451 2.201 20 5 FEBDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n(C)n1 ZINC000193010782 328351984 /nfs/dbraw/zinc/35/19/84/328351984.db2.gz LIEBEKCJKGSWOT-IRXDYDNUSA-N 1 0 369.425 2.409 20 5 FEBDRO C[C@H]([NH3+])CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000193239403 328364524 /nfs/dbraw/zinc/36/45/24/328364524.db2.gz OXVGHJGONLQFJM-NSHDSACASA-N 1 0 374.363 2.390 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])c1F ZINC000193429910 328374928 /nfs/dbraw/zinc/37/49/28/328374928.db2.gz KVMSIVABIUBXMZ-UHFFFAOYSA-N 1 0 365.386 2.124 20 5 FEBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)N1 ZINC000193466665 328376950 /nfs/dbraw/zinc/37/69/50/328376950.db2.gz VVVIAVAQFQKYNI-SFHVURJKSA-N 1 0 370.365 2.029 20 5 FEBDRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000049969049 324688142 /nfs/dbraw/zinc/68/81/42/324688142.db2.gz AWMXDROMSWFTMW-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237239176 328509499 /nfs/dbraw/zinc/50/94/99/328509499.db2.gz VPDHBIUSAMWERT-SECBINFHSA-N 1 0 359.329 2.016 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078426684 325045837 /nfs/dbraw/zinc/04/58/37/325045837.db2.gz HIWNYTQZZINHJM-UHFFFAOYSA-N 1 0 363.439 2.347 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081572270 325185218 /nfs/dbraw/zinc/18/52/18/325185218.db2.gz VOUIMRSBPQMIER-CRAIPNDOSA-N 1 0 360.458 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000083028694 325211457 /nfs/dbraw/zinc/21/14/57/325211457.db2.gz TYMGRJAVNBZEHR-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455778 325255413 /nfs/dbraw/zinc/25/54/13/325255413.db2.gz STZOZFPVEHXFLY-STQMWFEESA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237779446 328528517 /nfs/dbraw/zinc/52/85/17/328528517.db2.gz QXFUHCMJPGZHOG-ZACCUICWSA-N 1 0 359.835 2.118 20 5 FEBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000090551426 325362615 /nfs/dbraw/zinc/36/26/15/325362615.db2.gz OOMWUAUBGVRDDT-SFHVURJKSA-N 1 0 370.453 2.353 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000090559620 325363296 /nfs/dbraw/zinc/36/32/96/325363296.db2.gz IILLDXAVRGUJPP-UHFFFAOYSA-N 1 0 365.817 2.295 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)cc1[N+](=O)[O-] ZINC000090882501 325368811 /nfs/dbraw/zinc/36/88/11/325368811.db2.gz DEFFUSBYEQYAAW-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)C1CC1 ZINC000090882366 325369039 /nfs/dbraw/zinc/36/90/39/325369039.db2.gz VQBJWKRXQIHFQJ-INIZCTEOSA-N 1 0 352.456 2.330 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097024512 325457048 /nfs/dbraw/zinc/45/70/48/325457048.db2.gz MEMYJZFJNYEURE-ZDUSSCGKSA-N 1 0 357.414 2.454 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707463 325633645 /nfs/dbraw/zinc/63/36/45/325633645.db2.gz UAVWMZXLWSVRBK-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107872784 325636520 /nfs/dbraw/zinc/63/65/20/325636520.db2.gz GKLGSHNXFGDCAM-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO O=C1[C@@H]([NH+]2CCC(n3ccnc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109792964 325677570 /nfs/dbraw/zinc/67/75/70/325677570.db2.gz GJGLFTAQGZMASK-KRWDZBQOSA-N 1 0 355.398 2.234 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000115872689 325983627 /nfs/dbraw/zinc/98/36/27/325983627.db2.gz STBXNDKZWZWGRD-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000116922471 326042193 /nfs/dbraw/zinc/04/21/93/326042193.db2.gz SABMNPZBXAVUFS-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290990 326247050 /nfs/dbraw/zinc/24/70/50/326247050.db2.gz VANQSHXDTUPKOJ-ZDUSSCGKSA-N 1 0 373.450 2.380 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322484 326249718 /nfs/dbraw/zinc/24/97/18/326249718.db2.gz KWAXBUBKWKTARC-AWEZNQCLSA-N 1 0 355.460 2.241 20 5 FEBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000120544458 326267303 /nfs/dbraw/zinc/26/73/03/326267303.db2.gz QIYIPHQLFHNNAO-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120955081 326301840 /nfs/dbraw/zinc/30/18/40/326301840.db2.gz OCIJFRWXAPFRQR-DOTOQJQBSA-N 1 0 367.471 2.026 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000122332688 326392844 /nfs/dbraw/zinc/39/28/44/326392844.db2.gz WIJNTEOLAHEMEI-IRXDYDNUSA-N 1 0 365.405 2.232 20 5 FEBDRO CCOC(=O)c1cc(NC2CC[NH+](CCOC)CC2)ccc1[N+](=O)[O-] ZINC000122775913 326408728 /nfs/dbraw/zinc/40/87/28/326408728.db2.gz ZDARTMAHSNYJNI-UHFFFAOYSA-N 1 0 351.403 2.294 20 5 FEBDRO COc1cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000124485893 326454768 /nfs/dbraw/zinc/45/47/68/326454768.db2.gz FXGSNOKWNKEZKQ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000128526001 326525302 /nfs/dbraw/zinc/52/53/02/326525302.db2.gz MCOZWWFNSLEMQC-VXGBXAGGSA-N 1 0 351.451 2.123 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000133267556 326605692 /nfs/dbraw/zinc/60/56/92/326605692.db2.gz JDBRXUIJYHHYKJ-SNVBAGLBSA-N 1 0 361.320 2.360 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC(CCC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000133337249 326607049 /nfs/dbraw/zinc/60/70/49/326607049.db2.gz VYVBJMAXNVVVRL-UHFFFAOYSA-N 1 0 365.478 2.379 20 5 FEBDRO CCOC(=O)CNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000134537326 326627420 /nfs/dbraw/zinc/62/74/20/326627420.db2.gz KBXLLHUIDPFNGH-ZDUSSCGKSA-N 1 0 363.414 2.047 20 5 FEBDRO O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000137118569 326658036 /nfs/dbraw/zinc/65/80/36/326658036.db2.gz ZUANLDBQNBGBHY-QGZVFWFLSA-N 1 0 359.426 2.354 20 5 FEBDRO C[NH2+]CCNC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000151254986 326678196 /nfs/dbraw/zinc/67/81/96/326678196.db2.gz SNDNSSICXPGQJP-UHFFFAOYSA-N 1 0 352.441 2.460 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000151267993 326678467 /nfs/dbraw/zinc/67/84/67/326678467.db2.gz QREPHCJQZPAMTG-UHFFFAOYSA-N 1 0 373.862 2.294 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)ccc1Cl ZINC000151271862 326678489 /nfs/dbraw/zinc/67/84/89/326678489.db2.gz STXFGAMIHNZWCU-UHFFFAOYSA-N 1 0 373.862 2.294 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000153398943 326732070 /nfs/dbraw/zinc/73/20/70/326732070.db2.gz MHQRMQZILLCZSO-UHFFFAOYSA-N 1 0 373.409 2.270 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000153948114 326747107 /nfs/dbraw/zinc/74/71/07/326747107.db2.gz KHIYXUSBDNFZNQ-UHFFFAOYSA-N 1 0 363.462 2.365 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000154426366 326759756 /nfs/dbraw/zinc/75/97/56/326759756.db2.gz IQDLIJPQNCWFRF-MSOLQXFVSA-N 1 0 350.415 2.288 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000156217964 326822224 /nfs/dbraw/zinc/82/22/24/326822224.db2.gz OMECZCVXMCTTET-OCCSQVGLSA-N 1 0 357.414 2.195 20 5 FEBDRO COc1cc(C(=O)NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000161590840 327003625 /nfs/dbraw/zinc/00/36/25/327003625.db2.gz CYRCTBUDQCUZGG-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000162504831 327027459 /nfs/dbraw/zinc/02/74/59/327027459.db2.gz XHYUCHASZAYHAQ-UHFFFAOYSA-N 1 0 357.414 2.031 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000162723980 327033018 /nfs/dbraw/zinc/03/30/18/327033018.db2.gz JOESIMHDLACJPM-ZFWWWQNUSA-N 1 0 357.414 2.443 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000171136733 327120406 /nfs/dbraw/zinc/12/04/06/327120406.db2.gz CMBGURLGKMVQEX-CQSZACIVSA-N 1 0 362.474 2.258 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171651399 327151668 /nfs/dbraw/zinc/15/16/68/327151668.db2.gz OGMZJHUGJIZFAW-INIZCTEOSA-N 1 0 362.430 2.373 20 5 FEBDRO CCCCNC(=O)Cc1noc(-c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 ZINC000171779835 327161047 /nfs/dbraw/zinc/16/10/47/327161047.db2.gz NDBWYJNBNHQVCS-UHFFFAOYSA-N 1 0 370.369 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000172140789 327183563 /nfs/dbraw/zinc/18/35/63/327183563.db2.gz HHNTVWJBZDEGML-ZDUSSCGKSA-N 1 0 350.419 2.087 20 5 FEBDRO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172346969 327197144 /nfs/dbraw/zinc/19/71/44/327197144.db2.gz USCHCRWFKPVLLL-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000172505594 327204481 /nfs/dbraw/zinc/20/44/81/327204481.db2.gz MURAKOZFTAZCJJ-HNNXBMFYSA-N 1 0 355.822 2.335 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000173203120 327240754 /nfs/dbraw/zinc/24/07/54/327240754.db2.gz XHYKZBKIEZJUFS-ZFWWWQNUSA-N 1 0 371.397 2.173 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000173261927 327244829 /nfs/dbraw/zinc/24/48/29/327244829.db2.gz DPTKRTHNMONDTQ-UKRRQHHQSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1cccc(NC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000173523999 327263799 /nfs/dbraw/zinc/26/37/99/327263799.db2.gz HQAAPDSYRFURQY-SFHVURJKSA-N 1 0 359.430 2.037 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173832205 327287477 /nfs/dbraw/zinc/28/74/77/327287477.db2.gz UVJGBTBJCCHEMD-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000173864624 327289605 /nfs/dbraw/zinc/28/96/05/327289605.db2.gz FKEDALKAYKEVCV-CQSZACIVSA-N 1 0 353.444 2.138 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173949516 327297240 /nfs/dbraw/zinc/29/72/40/327297240.db2.gz GAKPXLKWTBTADE-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000173991883 327300157 /nfs/dbraw/zinc/30/01/57/327300157.db2.gz SVFCLYFAMAKCIS-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000174104832 327306341 /nfs/dbraw/zinc/30/63/41/327306341.db2.gz RXYNCQGYLLITBD-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000174125704 327307439 /nfs/dbraw/zinc/30/74/39/327307439.db2.gz KWSDGQBMFSKAGO-UHFFFAOYSA-N 1 0 363.414 2.024 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174369492 327322671 /nfs/dbraw/zinc/32/26/71/327322671.db2.gz VYEREVCZMYJQAH-KRWDZBQOSA-N 1 0 361.446 2.229 20 5 FEBDRO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721252 327345829 /nfs/dbraw/zinc/34/58/29/327345829.db2.gz GGBBCPHKSVJJOY-CYBMUJFWSA-N 1 0 374.319 2.183 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000174792671 327351509 /nfs/dbraw/zinc/35/15/09/327351509.db2.gz DUJFHYBKSMJUKS-SFHVURJKSA-N 1 0 365.430 2.463 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000175083315 327372703 /nfs/dbraw/zinc/37/27/03/327372703.db2.gz YAGIOJZLTGTQAT-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000175089621 327373441 /nfs/dbraw/zinc/37/34/41/327373441.db2.gz YZROREHJYZATOV-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175116986 327375201 /nfs/dbraw/zinc/37/52/01/327375201.db2.gz IQEWBYGCODFDQZ-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000175217107 327380525 /nfs/dbraw/zinc/38/05/25/327380525.db2.gz RYJYUJZRMZMUNM-INIZCTEOSA-N 1 0 373.457 2.361 20 5 FEBDRO Cc1ccc(CNC(=O)C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000175317950 327386617 /nfs/dbraw/zinc/38/66/17/327386617.db2.gz OIUZTXXYZRLTQC-UHFFFAOYSA-N 1 0 371.441 2.128 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178002573 327558144 /nfs/dbraw/zinc/55/81/44/327558144.db2.gz KPOVSFQFQZVJKS-QWRGUYRKSA-N 1 0 368.821 2.176 20 5 FEBDRO CSc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000178121524 327566534 /nfs/dbraw/zinc/56/65/34/327566534.db2.gz BCWVSKOKXMXCRQ-CYBMUJFWSA-N 1 0 365.455 2.111 20 5 FEBDRO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178519210 327590168 /nfs/dbraw/zinc/59/01/68/327590168.db2.gz ZUNPNNNVPCEPHB-AWEZNQCLSA-N 1 0 363.439 2.386 20 5 FEBDRO [NH3+]C[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000178550360 327591776 /nfs/dbraw/zinc/59/17/76/327591776.db2.gz XEMDDQZDZZTBAV-SNVBAGLBSA-N 1 0 360.336 2.223 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000248638496 328731211 /nfs/dbraw/zinc/73/12/11/328731211.db2.gz YQTQXOBMYWOCNN-JCKWVBRZSA-N 1 0 358.394 2.489 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261663081 328809774 /nfs/dbraw/zinc/80/97/74/328809774.db2.gz BCLDUJAFCMASFI-INIZCTEOSA-N 1 0 359.430 2.262 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000261866809 328825559 /nfs/dbraw/zinc/82/55/59/328825559.db2.gz WYKTVDUBDPTCFG-CVEARBPZSA-N 1 0 355.394 2.418 20 5 FEBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261966740 328832188 /nfs/dbraw/zinc/83/21/88/328832188.db2.gz BPCYTEVQCSLYCG-ZDUSSCGKSA-N 1 0 364.446 2.252 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263809756 328964476 /nfs/dbraw/zinc/96/44/76/328964476.db2.gz MXGXPTSMVDJAPY-INIZCTEOSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000264263579 329005785 /nfs/dbraw/zinc/00/57/85/329005785.db2.gz FMVXYUYUEQTFEY-OAHLLOKOSA-N 1 0 362.430 2.373 20 5 FEBDRO Cc1c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000264502222 329030269 /nfs/dbraw/zinc/03/02/69/329030269.db2.gz ILJMEEQLJAHSOF-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C(CO)CO)o2)c(Br)c1 ZINC000266131101 329193091 /nfs/dbraw/zinc/19/30/91/329193091.db2.gz DAZUPQGIFPZNCZ-UHFFFAOYSA-N 1 0 371.187 2.060 20 5 FEBDRO COCCCN(C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266156631 329195691 /nfs/dbraw/zinc/19/56/91/329195691.db2.gz MBZVJLUCQJOJEK-UHFFFAOYSA-N 1 0 361.446 2.053 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000266201104 329199891 /nfs/dbraw/zinc/19/98/91/329199891.db2.gz HKINBYBCTXRKMH-UHFFFAOYSA-N 1 0 353.394 2.351 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266212322 329201133 /nfs/dbraw/zinc/20/11/33/329201133.db2.gz GLXABHSKGIWVSY-GXTWGEPZSA-N 1 0 355.460 2.165 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000266276380 329207333 /nfs/dbraw/zinc/20/73/33/329207333.db2.gz SEXBRFCHXFFCNM-CQSZACIVSA-N 1 0 367.471 2.311 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266299813 329209510 /nfs/dbraw/zinc/20/95/10/329209510.db2.gz JVUBEBOSQUUKRS-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068664 329288704 /nfs/dbraw/zinc/28/87/04/329288704.db2.gz VHSBLCCSNCRHKI-TZMCWYRMSA-N 1 0 353.394 2.097 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160132 329391949 /nfs/dbraw/zinc/39/19/49/329391949.db2.gz VKCRFPAIPCAGRV-WCQYABFASA-N 1 0 351.403 2.071 20 5 FEBDRO CCN(CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)S(C)(=O)=O ZINC000268774547 329454460 /nfs/dbraw/zinc/45/44/60/329454460.db2.gz GJTDUYNGDCZTIB-MRXNPFEDSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270078953 329573054 /nfs/dbraw/zinc/57/30/54/329573054.db2.gz DGKUNNSUPWAQRM-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO Cn1cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270585380 329612760 /nfs/dbraw/zinc/61/27/60/329612760.db2.gz XIKQKQPQCYBEFC-CQSZACIVSA-N 1 0 358.320 2.398 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270648823 329618551 /nfs/dbraw/zinc/61/85/51/329618551.db2.gz LIKWDQWFXTUCDP-ZETOZRRWSA-N 1 0 354.838 2.457 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1[NH+](C)C ZINC000270850980 329637881 /nfs/dbraw/zinc/63/78/81/329637881.db2.gz PTBXMHRIOBBGMV-HUUCEWRRSA-N 1 0 360.439 2.261 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272883047 329820676 /nfs/dbraw/zinc/82/06/76/329820676.db2.gz XDOWTKLFBCOLAB-CYBMUJFWSA-N 1 0 354.407 2.082 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272883051 329820781 /nfs/dbraw/zinc/82/07/81/329820781.db2.gz XDOWTKLFBCOLAB-ZDUSSCGKSA-N 1 0 354.407 2.082 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC000273490029 329868966 /nfs/dbraw/zinc/86/89/66/329868966.db2.gz WOCQNTZHLNXKJC-OAGGEKHMSA-N 1 0 368.455 2.162 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000273499188 329869724 /nfs/dbraw/zinc/86/97/24/329869724.db2.gz YHSMZCOHBFPDIA-LSJOCFKGSA-N 1 0 371.340 2.014 20 5 FEBDRO COC(=O)C1(C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000275287050 330030571 /nfs/dbraw/zinc/03/05/71/330030571.db2.gz NXGAYIQAWVPMMU-UHFFFAOYSA-N 1 0 374.340 2.290 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CC(C)(C)O ZINC000275442498 330049144 /nfs/dbraw/zinc/04/91/44/330049144.db2.gz BVCAXQPCGIQNIN-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275794944 330090004 /nfs/dbraw/zinc/09/00/04/330090004.db2.gz ZLPFOTAPAYIHDA-ZDUSSCGKSA-N 1 0 363.805 2.299 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853168 330096619 /nfs/dbraw/zinc/09/66/19/330096619.db2.gz SCQJYSLQMWQNPX-KBPBESRZSA-N 1 0 364.446 2.142 20 5 FEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000275860472 330097348 /nfs/dbraw/zinc/09/73/48/330097348.db2.gz TZZJWGJUFXKNOO-CRAIPNDOSA-N 1 0 366.414 2.117 20 5 FEBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000276101953 330119329 /nfs/dbraw/zinc/11/93/29/330119329.db2.gz ZANJGFCYXUSOMI-UHFFFAOYSA-N 1 0 373.356 2.419 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)Cc3ccccc3C2)c2c(c1)COCO2 ZINC000369331783 330240744 /nfs/dbraw/zinc/24/07/44/330240744.db2.gz ZBCPPHPWTPQIBG-UHFFFAOYSA-N 1 0 356.378 2.081 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000371460583 330244389 /nfs/dbraw/zinc/24/43/89/330244389.db2.gz YMQYHLVSSJATPT-ZDUSSCGKSA-N 1 0 371.319 2.358 20 5 FEBDRO CC[NH+](CC)CC1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000478288508 561163695 /nfs/dbraw/zinc/16/36/95/561163695.db2.gz XAXQFKFGFWNBFJ-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000160151714 546012769 /nfs/dbraw/zinc/01/27/69/546012769.db2.gz MHFZWLOPNMPYNM-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160183380 546014474 /nfs/dbraw/zinc/01/44/74/546014474.db2.gz CECSBKCKMQYKQE-CECVADTLSA-N 1 0 373.453 2.492 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160607041 546055681 /nfs/dbraw/zinc/05/56/81/546055681.db2.gz NRWIFOYZSUXIPW-DOTOQJQBSA-N 1 0 365.405 2.232 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000160707772 546064546 /nfs/dbraw/zinc/06/45/46/546064546.db2.gz FBBJIEFKMLZJRG-DLBZAZTESA-N 1 0 365.405 2.232 20 5 FEBDRO COCC[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000160816137 546075204 /nfs/dbraw/zinc/07/52/04/546075204.db2.gz CUKQTJNQDCUUHL-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161077767 546098566 /nfs/dbraw/zinc/09/85/66/546098566.db2.gz YLEWUPRQQCHRSC-CHWSQXEVSA-N 1 0 353.444 2.223 20 5 FEBDRO Cc1nn(C)c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000161397766 546127524 /nfs/dbraw/zinc/12/75/24/546127524.db2.gz CCGOJPXSGFZYPQ-UHFFFAOYSA-N 1 0 373.457 2.273 20 5 FEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000172020171 546234194 /nfs/dbraw/zinc/23/41/94/546234194.db2.gz ZCOLDGOGCAUPMJ-UHFFFAOYSA-N 1 0 368.865 2.138 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176490954 546453480 /nfs/dbraw/zinc/45/34/80/546453480.db2.gz JUVHTEDSAIUOJR-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1C1CC1 ZINC000177095921 546544143 /nfs/dbraw/zinc/54/41/43/546544143.db2.gz KUSLEMWKRRGWPP-CHWSQXEVSA-N 1 0 355.398 2.136 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161207 546558225 /nfs/dbraw/zinc/55/82/25/546558225.db2.gz WEECYGFNDQZOPH-RYUDHWBXSA-N 1 0 363.414 2.357 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC([C@@H](C)NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000481126136 561225770 /nfs/dbraw/zinc/22/57/70/561225770.db2.gz QAFVQZKKOGPLJI-CYBMUJFWSA-N 1 0 365.430 2.219 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000178688905 546832829 /nfs/dbraw/zinc/83/28/29/546832829.db2.gz GKVOORZCMZVIQK-UKRRQHHQSA-N 1 0 357.414 2.483 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179850975 547020874 /nfs/dbraw/zinc/02/08/74/547020874.db2.gz YHKGKYJAYLLKRR-GFCCVEGCSA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862732 547022550 /nfs/dbraw/zinc/02/25/50/547022550.db2.gz LDXHJCCHBOIFLR-RYUDHWBXSA-N 1 0 351.403 2.335 20 5 FEBDRO CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180353997 547090446 /nfs/dbraw/zinc/09/04/46/547090446.db2.gz WEIXWHPJGQHYRP-UHFFFAOYSA-N 1 0 365.411 2.135 20 5 FEBDRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180398008 547100443 /nfs/dbraw/zinc/10/04/43/547100443.db2.gz CACMFQPTVFOPGI-OLZOCXBDSA-N 1 0 363.414 2.046 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000180960410 547219305 /nfs/dbraw/zinc/21/93/05/547219305.db2.gz ANXPYCLKDGMPHP-WFASDCNBSA-N 1 0 373.413 2.183 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000483407315 561276289 /nfs/dbraw/zinc/27/62/89/561276289.db2.gz MXVHAGDZXWNZLV-CABCVRRESA-N 1 0 353.419 2.386 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000181959765 547413957 /nfs/dbraw/zinc/41/39/57/547413957.db2.gz IVXCNSZTVXPZSQ-INIZCTEOSA-N 1 0 363.458 2.285 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000182155246 547445481 /nfs/dbraw/zinc/44/54/81/547445481.db2.gz QPAGBKPFGVXSCH-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000182200087 547451404 /nfs/dbraw/zinc/45/14/04/547451404.db2.gz WIRFBTDAVBOYPV-ZDUSSCGKSA-N 1 0 361.398 2.272 20 5 FEBDRO Cc1cnc(CC[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000182253645 547461584 /nfs/dbraw/zinc/46/15/84/547461584.db2.gz BDYKWBSSMSXUEH-ZDUSSCGKSA-N 1 0 351.428 2.274 20 5 FEBDRO CCN(CC)C(=O)CCC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182567636 547515425 /nfs/dbraw/zinc/51/54/25/547515425.db2.gz SLOPDUKQMDZFPK-UHFFFAOYSA-N 1 0 351.451 2.152 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000484088664 561291271 /nfs/dbraw/zinc/29/12/71/561291271.db2.gz LMEMQOBUSCOHIW-VHSXEESVSA-N 1 0 361.320 2.345 20 5 FEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000183430785 547658289 /nfs/dbraw/zinc/65/82/89/547658289.db2.gz ULINSMIWMZIYAP-CYBMUJFWSA-N 1 0 372.219 2.310 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183562764 547681438 /nfs/dbraw/zinc/68/14/38/547681438.db2.gz NXPFETULOXPGLI-UHFFFAOYSA-N 1 0 356.386 2.171 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000183643799 547694040 /nfs/dbraw/zinc/69/40/40/547694040.db2.gz GDRKCFWMWAPMBV-UHFFFAOYSA-N 1 0 369.425 2.309 20 5 FEBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000484647326 561302237 /nfs/dbraw/zinc/30/22/37/561302237.db2.gz BVCMFMZOUBNRAE-ZHALLVOQSA-N 1 0 374.441 2.440 20 5 FEBDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000184004358 547753454 /nfs/dbraw/zinc/75/34/54/547753454.db2.gz PAIDQOXCCUBJBO-MRXNPFEDSA-N 1 0 356.426 2.357 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000484897804 561308086 /nfs/dbraw/zinc/30/80/86/561308086.db2.gz AGGAEHOWFNXJSN-VYDXJSESSA-N 1 0 352.431 2.472 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000184478966 547833783 /nfs/dbraw/zinc/83/37/83/547833783.db2.gz BUDMEXXIBZHHDK-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@@H]12 ZINC000184965651 547908512 /nfs/dbraw/zinc/90/85/12/547908512.db2.gz QWIVNUPZWDXWJJ-OLMNPRSZSA-N 1 0 361.445 2.350 20 5 FEBDRO Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000185034509 547920431 /nfs/dbraw/zinc/92/04/31/547920431.db2.gz WXEULRUYGOSRHX-CYBMUJFWSA-N 1 0 369.385 2.065 20 5 FEBDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561259 561322465 /nfs/dbraw/zinc/32/24/65/561322465.db2.gz SMBLNVCHBNJQCA-PWSUYJOCSA-N 1 0 374.363 2.339 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186338207 548122180 /nfs/dbraw/zinc/12/21/80/548122180.db2.gz WVAMTMURVMGVCE-VAFHRPCXSA-N 1 0 374.485 2.388 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000186780332 548190917 /nfs/dbraw/zinc/19/09/17/548190917.db2.gz LMUNNWGEVZQWTG-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000193925154 548407598 /nfs/dbraw/zinc/40/75/98/548407598.db2.gz ARHYSLPFHAUTLG-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1C ZINC000194747526 548526571 /nfs/dbraw/zinc/52/65/71/548526571.db2.gz WQDJUMFNMPPHMB-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508918 548652675 /nfs/dbraw/zinc/65/26/75/548652675.db2.gz KXWLBCPABJGVIX-UHFFFAOYSA-N 1 0 360.414 2.172 20 5 FEBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000487088226 561363435 /nfs/dbraw/zinc/36/34/35/561363435.db2.gz QNEQEBYNFFRYBY-GXTWGEPZSA-N 1 0 353.854 2.105 20 5 FEBDRO Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC000234319126 548764031 /nfs/dbraw/zinc/76/40/31/548764031.db2.gz VXTAVSVJAUHTFF-LLVKDONJSA-N 1 0 357.252 2.323 20 5 FEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236608979 548768720 /nfs/dbraw/zinc/76/87/20/548768720.db2.gz VUCZQIZJPILQPP-SNVBAGLBSA-N 1 0 356.220 2.477 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000237050137 548796846 /nfs/dbraw/zinc/79/68/46/548796846.db2.gz HEQFIILFCQEDMZ-NEPJUHHUSA-N 1 0 351.403 2.202 20 5 FEBDRO CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000245848503 549002401 /nfs/dbraw/zinc/00/24/01/549002401.db2.gz FMCJXQYGHGEXCE-XTQGRXLLSA-N 1 0 365.430 2.258 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246050937 549042607 /nfs/dbraw/zinc/04/26/07/549042607.db2.gz AXIUHDADXAWVRA-MLGOLLRUSA-N 1 0 351.403 2.025 20 5 FEBDRO CCc1cc(NCC[NH+]2CCSCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488255510 561386952 /nfs/dbraw/zinc/38/69/52/561386952.db2.gz NMIZUAIMYZJDBC-UHFFFAOYSA-N 1 0 373.482 2.497 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000246628828 549177822 /nfs/dbraw/zinc/17/78/22/549177822.db2.gz IVRPVKYPVYBFHN-UONOGXRCSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246654550 549183582 /nfs/dbraw/zinc/18/35/82/549183582.db2.gz LKLMVPAPMNZIOG-BBRMVZONSA-N 1 0 363.414 2.433 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1C[C@H](C)O ZINC000246753039 549204189 /nfs/dbraw/zinc/20/41/89/549204189.db2.gz HAKUHPYIFJHRKE-NWDGAFQWSA-N 1 0 355.822 2.165 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@H]1C ZINC000489395455 561409833 /nfs/dbraw/zinc/40/98/33/561409833.db2.gz CTWVZFUNRSBULI-YOEHRIQHSA-N 1 0 365.430 2.358 20 5 FEBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000489508986 561413077 /nfs/dbraw/zinc/41/30/77/561413077.db2.gz KMNQJXNAQOGCBV-UKRRQHHQSA-N 1 0 354.403 2.108 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249144318 549560642 /nfs/dbraw/zinc/56/06/42/549560642.db2.gz XAFVXYIZXUSSHW-UONOGXRCSA-N 1 0 364.446 2.142 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000252012483 549661736 /nfs/dbraw/zinc/66/17/36/549661736.db2.gz XUEJIGSJNFNCPA-BLLLJJGKSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000261381298 549730501 /nfs/dbraw/zinc/73/05/01/549730501.db2.gz NBEOEAJEBJYAQA-SECBINFHSA-N 1 0 361.345 2.275 20 5 FEBDRO COc1ccc(OCCN2CC[NH2+]C[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261602952 549733354 /nfs/dbraw/zinc/73/33/54/549733354.db2.gz ASBAVCWYVWOMNY-QGZVFWFLSA-N 1 0 358.398 2.024 20 5 FEBDRO C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262006462 549778597 /nfs/dbraw/zinc/77/85/97/549778597.db2.gz RRSUJRDPKVIPHE-CYBMUJFWSA-N 1 0 364.446 2.252 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000262090478 549787861 /nfs/dbraw/zinc/78/78/61/549787861.db2.gz RRVJGLIUETZCOO-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262450139 549820469 /nfs/dbraw/zinc/82/04/69/549820469.db2.gz VTMWEZWSXMZLRV-HNNXBMFYSA-N 1 0 360.458 2.012 20 5 FEBDRO COc1cc(CCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000263126806 549879591 /nfs/dbraw/zinc/87/95/91/549879591.db2.gz BJENJWFLDGPKLX-SCLBCKFNSA-N 1 0 365.430 2.178 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491094351 561442889 /nfs/dbraw/zinc/44/28/89/561442889.db2.gz YNCXRHYQMWREJB-QGZVFWFLSA-N 1 0 350.438 2.336 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)nc2)CC1 ZINC000268692826 550105190 /nfs/dbraw/zinc/10/51/90/550105190.db2.gz FNCAAGDGDDEXDL-UHFFFAOYSA-N 1 0 359.386 2.366 20 5 FEBDRO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781065 561452578 /nfs/dbraw/zinc/45/25/78/561452578.db2.gz ACFOLVFGCAZDTC-NVXWUHKLSA-N 1 0 362.474 2.061 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000493150201 561454778 /nfs/dbraw/zinc/45/47/78/561454778.db2.gz HIKDZWXFKQXPIQ-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCOc1cc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000493573496 561457060 /nfs/dbraw/zinc/45/70/60/561457060.db2.gz PIMZLZIDCPWWHI-CQSZACIVSA-N 1 0 351.447 2.271 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000493574071 561457084 /nfs/dbraw/zinc/45/70/84/561457084.db2.gz RROYHYBUOGZWOH-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270407398 550269858 /nfs/dbraw/zinc/26/98/58/550269858.db2.gz AKBODNKMVGAJGA-KBPBESRZSA-N 1 0 355.485 2.434 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000270755857 550303923 /nfs/dbraw/zinc/30/39/23/550303923.db2.gz DIBXDVHKUMUADD-LBPRGKRZSA-N 1 0 363.443 2.032 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000494005732 561460731 /nfs/dbraw/zinc/46/07/31/561460731.db2.gz CGQCXFHXIGIFNP-DZGCQCFKSA-N 1 0 357.414 2.204 20 5 FEBDRO C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494039912 561461319 /nfs/dbraw/zinc/46/13/19/561461319.db2.gz VZWHJVJZYUAASD-IUODEOHRSA-N 1 0 356.382 2.088 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000270973287 550327529 /nfs/dbraw/zinc/32/75/29/550327529.db2.gz UFJWCUZTDJEDLX-ZFWWWQNUSA-N 1 0 357.414 2.111 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCN1C ZINC000271192403 550350698 /nfs/dbraw/zinc/35/06/98/550350698.db2.gz XUBOVBXONFXVKD-GJZGRUSLSA-N 1 0 352.504 2.301 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000271799375 550403082 /nfs/dbraw/zinc/40/30/82/550403082.db2.gz DFUCNZBXIJDMCE-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272516621 550454486 /nfs/dbraw/zinc/45/44/86/550454486.db2.gz KIANGUHPQDWRML-UHFFFAOYSA-N 1 0 358.398 2.310 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000272535279 550456806 /nfs/dbraw/zinc/45/68/06/550456806.db2.gz NALIYUFPKBGGQD-BETUJISGSA-N 1 0 371.384 2.302 20 5 FEBDRO Cc1nn(C)c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000273080689 550484202 /nfs/dbraw/zinc/48/42/02/550484202.db2.gz HDWHPDXVLGSJSG-MRXNPFEDSA-N 1 0 359.430 2.206 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273235554 550490883 /nfs/dbraw/zinc/49/08/83/550490883.db2.gz WRSKWXMPKFUBKM-UHFFFAOYSA-N 1 0 372.443 2.080 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000273339375 550495066 /nfs/dbraw/zinc/49/50/66/550495066.db2.gz NLWZWPDTPMKBKC-OAHLLOKOSA-N 1 0 350.415 2.227 20 5 FEBDRO CC(C)(CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000277000587 550620272 /nfs/dbraw/zinc/62/02/72/550620272.db2.gz GLTNGPVQGQNPBR-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO C[C@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[NH+](C)C ZINC000277181524 550640680 /nfs/dbraw/zinc/64/06/80/550640680.db2.gz VMZRRJQSEATYLP-SNVBAGLBSA-N 1 0 351.794 2.156 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277211075 550644058 /nfs/dbraw/zinc/64/40/58/550644058.db2.gz KPILKOXCSOTTRI-LBPRGKRZSA-N 1 0 354.382 2.356 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494883874 561478435 /nfs/dbraw/zinc/47/84/35/561478435.db2.gz UJENUUAQUKLOAE-GVXVVHGQSA-N 1 0 353.806 2.226 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277657368 550697419 /nfs/dbraw/zinc/69/74/19/550697419.db2.gz DNGJDUDRKGJLPZ-KBPBESRZSA-N 1 0 350.806 2.190 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278446667 550787161 /nfs/dbraw/zinc/78/71/61/550787161.db2.gz RESPMEMSEPNMFL-UHFFFAOYSA-N 1 0 368.441 2.322 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278664490 550809376 /nfs/dbraw/zinc/80/93/76/550809376.db2.gz KXSLSFMXNWFTBG-CYBMUJFWSA-N 1 0 374.445 2.487 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000278718843 550814967 /nfs/dbraw/zinc/81/49/67/550814967.db2.gz PITHUWPWRQCIFT-AWEZNQCLSA-N 1 0 372.429 2.241 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000278772065 550820250 /nfs/dbraw/zinc/82/02/50/550820250.db2.gz NRCPNKSTXQABNI-ONERCXAPSA-N 1 0 371.821 2.359 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000278782176 550821382 /nfs/dbraw/zinc/82/13/82/550821382.db2.gz VQLSBYWQIMQZFZ-CQSZACIVSA-N 1 0 372.429 2.241 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000279236777 550868062 /nfs/dbraw/zinc/86/80/62/550868062.db2.gz JQIFWFHAQOFFOW-GXTWGEPZSA-N 1 0 351.403 2.073 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1 ZINC000279247166 550869614 /nfs/dbraw/zinc/86/96/14/550869614.db2.gz KTYOBQASDKBYCZ-DDBAPUKQSA-N 1 0 362.426 2.272 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000280277307 550976161 /nfs/dbraw/zinc/97/61/61/550976161.db2.gz DFVAXMAUBLISON-LBPRGKRZSA-N 1 0 351.403 2.025 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281377674 551090053 /nfs/dbraw/zinc/09/00/53/551090053.db2.gz GXYIOWHLJBSVHD-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO CN(CC(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390050 561500060 /nfs/dbraw/zinc/50/00/60/561500060.db2.gz YNRPBGKBNVZBDU-IRXDYDNUSA-N 1 0 368.437 2.245 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410465 561500357 /nfs/dbraw/zinc/50/03/57/561500357.db2.gz HGRZOOAQUXZFJR-UONOGXRCSA-N 1 0 357.414 2.269 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000282241601 551199786 /nfs/dbraw/zinc/19/97/86/551199786.db2.gz BMQAZGDPERJFQW-FZKQIMNGSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000282765070 551267945 /nfs/dbraw/zinc/26/79/45/551267945.db2.gz KWUOBVFOUYVBAO-UHFFFAOYSA-N 1 0 368.409 2.216 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(OCCO)CCOCC1 ZINC000282801555 551271929 /nfs/dbraw/zinc/27/19/29/551271929.db2.gz QUOVCJBSJSTSLX-OAHLLOKOSA-N 1 0 352.431 2.064 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000284433830 551548187 /nfs/dbraw/zinc/54/81/87/551548187.db2.gz YTTAEWMLLLVZFE-YSIASYRMSA-N 1 0 371.437 2.370 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000498328332 561522298 /nfs/dbraw/zinc/52/22/98/561522298.db2.gz AHJLCFZWPLUFJC-UHFFFAOYSA-N 1 0 360.414 2.259 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285331773 551739732 /nfs/dbraw/zinc/73/97/32/551739732.db2.gz JTXLISTXGMYRSK-MRXNPFEDSA-N 1 0 360.418 2.347 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922235 561537912 /nfs/dbraw/zinc/53/79/12/561537912.db2.gz BFMNSIFFGZZSSZ-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286286366 551869897 /nfs/dbraw/zinc/86/98/97/551869897.db2.gz HFWNRVGDJBOSKT-UHFFFAOYSA-N 1 0 373.400 2.437 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000286321463 551873948 /nfs/dbraw/zinc/87/39/48/551873948.db2.gz JHECJSZAQGJOHJ-KBPBESRZSA-N 1 0 351.378 2.059 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286815795 551928980 /nfs/dbraw/zinc/92/89/80/551928980.db2.gz USESZRMTCULLDL-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499464370 561551593 /nfs/dbraw/zinc/55/15/93/561551593.db2.gz NLUNSFNXQRXAAU-LSDHHAIUSA-N 1 0 371.441 2.221 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000288543784 552172199 /nfs/dbraw/zinc/17/21/99/552172199.db2.gz AMVXIQZDWCOBOD-QGZVFWFLSA-N 1 0 362.386 2.336 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289280044 552294535 /nfs/dbraw/zinc/29/45/35/552294535.db2.gz ZCIFVQHIIWDHMD-ZFWWWQNUSA-N 1 0 374.441 2.235 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000289351173 552305474 /nfs/dbraw/zinc/30/54/74/552305474.db2.gz JCINLOONLPTBLO-PPYMECGQSA-N 1 0 367.471 2.211 20 5 FEBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623594 552351722 /nfs/dbraw/zinc/35/17/22/552351722.db2.gz LQFFZDTYDIVCEI-GLERGHRYSA-N 1 0 358.398 2.061 20 5 FEBDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661893 552358364 /nfs/dbraw/zinc/35/83/64/552358364.db2.gz NFHVIVKOKPAJNK-MLGOLLRUSA-N 1 0 366.805 2.201 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289746669 552372050 /nfs/dbraw/zinc/37/20/50/552372050.db2.gz FDEKVRCJBXMHGW-OAHLLOKOSA-N 1 0 373.413 2.384 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000289937836 552402625 /nfs/dbraw/zinc/40/26/25/552402625.db2.gz WUQVMWRDVMJBPU-AWEZNQCLSA-N 1 0 363.462 2.162 20 5 FEBDRO Cc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000289967828 552406834 /nfs/dbraw/zinc/40/68/34/552406834.db2.gz BOQULQDUPPQSBO-UHFFFAOYSA-N 1 0 364.423 2.481 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290019080 552415082 /nfs/dbraw/zinc/41/50/82/552415082.db2.gz VADFXRIDQKEPSQ-KBPBESRZSA-N 1 0 366.805 2.131 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000500695212 561579699 /nfs/dbraw/zinc/57/96/99/561579699.db2.gz NCTXUUZQLVXOLR-UHFFFAOYSA-N 1 0 351.451 2.069 20 5 FEBDRO NC(=O)c1ccnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290442459 552479496 /nfs/dbraw/zinc/47/94/96/552479496.db2.gz CCZWQPOHJZUZIY-AWEZNQCLSA-N 1 0 355.398 2.165 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290675141 552517691 /nfs/dbraw/zinc/51/76/91/552517691.db2.gz RTYAQJMQMQYFEQ-UHFFFAOYSA-N 1 0 357.414 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1C ZINC000501142471 561591220 /nfs/dbraw/zinc/59/12/20/561591220.db2.gz BANNSXYGJSIIIY-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291777475 552660622 /nfs/dbraw/zinc/66/06/22/552660622.db2.gz MBIXJPBINLQQSI-LBPRGKRZSA-N 1 0 357.357 2.181 20 5 FEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(CCCCCn2cccn2)CC1 ZINC000293119586 552790544 /nfs/dbraw/zinc/79/05/44/552790544.db2.gz MFVFLDFDBITXDD-UHFFFAOYSA-N 1 0 371.441 2.420 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000293479778 552827952 /nfs/dbraw/zinc/82/79/52/552827952.db2.gz YBDMSJKWRQJYLY-INIZCTEOSA-N 1 0 357.410 2.459 20 5 FEBDRO C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653512 552844351 /nfs/dbraw/zinc/84/43/51/552844351.db2.gz ISAXOMJFKFLRPR-CYBMUJFWSA-N 1 0 372.425 2.495 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000293805516 552858040 /nfs/dbraw/zinc/85/80/40/552858040.db2.gz NUHDKPWTECLVOX-UHFFFAOYSA-N 1 0 371.459 2.148 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000293961442 552871255 /nfs/dbraw/zinc/87/12/55/552871255.db2.gz SZDOHPGAWZNUON-DLBZAZTESA-N 1 0 358.398 2.011 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000295086279 552957775 /nfs/dbraw/zinc/95/77/75/552957775.db2.gz QZPJYOZOIWCMLL-ZDUSSCGKSA-N 1 0 367.427 2.272 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295111426 552959965 /nfs/dbraw/zinc/95/99/65/552959965.db2.gz LSTVULYOVQJNCP-HNNXBMFYSA-N 1 0 353.419 2.221 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000295245728 552975434 /nfs/dbraw/zinc/97/54/34/552975434.db2.gz MDMNDASKONWWKR-UHFFFAOYSA-N 1 0 352.410 2.262 20 5 FEBDRO C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1=CC[N@H+](C)CC1 ZINC000295630539 553036582 /nfs/dbraw/zinc/03/65/82/553036582.db2.gz BGGNILOORNJLHM-GFCCVEGCSA-N 1 0 355.398 2.365 20 5 FEBDRO CC(C)(CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[N+](=O)[O-] ZINC000295668096 553041876 /nfs/dbraw/zinc/04/18/76/553041876.db2.gz JMXQXWCSFPNFRF-QGZVFWFLSA-N 1 0 363.458 2.095 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000295898931 553073305 /nfs/dbraw/zinc/07/33/05/553073305.db2.gz CYUUVVDWYUIEHY-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000502407247 561617977 /nfs/dbraw/zinc/61/79/77/561617977.db2.gz LSCFMGAJAHVKCY-UHFFFAOYSA-N 1 0 359.430 2.162 20 5 FEBDRO Cc1ccccc1C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000502465580 561619118 /nfs/dbraw/zinc/61/91/18/561619118.db2.gz NMEJMTDHMGFLMV-UHFFFAOYSA-N 1 0 352.398 2.268 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502522808 561620299 /nfs/dbraw/zinc/62/02/99/561620299.db2.gz MVVGSHNEDWRAJM-OUCADQQQSA-N 1 0 360.357 2.475 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000296277692 553133649 /nfs/dbraw/zinc/13/36/49/553133649.db2.gz OREPDJXOGMJOFJ-ZTFGCOKTSA-N 1 0 357.410 2.031 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502834254 561626951 /nfs/dbraw/zinc/62/69/51/561626951.db2.gz QZPVVUBUKIZABA-CABCVRRESA-N 1 0 358.398 2.297 20 5 FEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296855455 553221114 /nfs/dbraw/zinc/22/11/14/553221114.db2.gz TYZXNFCRMFRVQO-STQMWFEESA-N 1 0 353.419 2.473 20 5 FEBDRO Cn1c(Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000296955660 553234561 /nfs/dbraw/zinc/23/45/61/553234561.db2.gz CIMHFBPDRVHQGT-SECBINFHSA-N 1 0 359.415 2.218 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1OC ZINC000297444496 553293172 /nfs/dbraw/zinc/29/31/72/553293172.db2.gz VGSMWDCNPIWEGI-MMPTUQATSA-N 1 0 351.403 2.200 20 5 FEBDRO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000298042071 553375836 /nfs/dbraw/zinc/37/58/36/553375836.db2.gz GUOFYHFCJTXHRY-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000298164800 553392589 /nfs/dbraw/zinc/39/25/89/553392589.db2.gz PZKPORBDCNYOSE-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)c1ccsc1 ZINC000298772377 553471036 /nfs/dbraw/zinc/47/10/36/553471036.db2.gz FTXIYFHHVRLAQP-AWEZNQCLSA-N 1 0 370.456 2.019 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000299136117 553520055 /nfs/dbraw/zinc/52/00/55/553520055.db2.gz QMOSSICTTWKJOK-QGZVFWFLSA-N 1 0 359.430 2.381 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194566 553528369 /nfs/dbraw/zinc/52/83/69/553528369.db2.gz DJQSJPCQLQLUGT-ZDUSSCGKSA-N 1 0 374.441 2.175 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427856 553561820 /nfs/dbraw/zinc/56/18/20/553561820.db2.gz XJPSPZFMWKIITI-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000299443418 553563784 /nfs/dbraw/zinc/56/37/84/553563784.db2.gz YLEAXKQKHWNTCY-OAHLLOKOSA-N 1 0 374.441 2.094 20 5 FEBDRO CC[NH+](CC)Cc1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000299514289 553573937 /nfs/dbraw/zinc/57/39/37/553573937.db2.gz NIQYRVJCTGNSRP-UHFFFAOYSA-N 1 0 358.398 2.237 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299571057 553582997 /nfs/dbraw/zinc/58/29/97/553582997.db2.gz UBIXAUJTRIKDSF-SFHVURJKSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000299731442 553609094 /nfs/dbraw/zinc/60/90/94/553609094.db2.gz XFKJFHFPJNHRAV-OAHLLOKOSA-N 1 0 353.419 2.271 20 5 FEBDRO Nc1nc(N2CC[NH+](Cc3cccc4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC000301057957 553617808 /nfs/dbraw/zinc/61/78/08/553617808.db2.gz AUQOFBPSVJZQJH-UHFFFAOYSA-N 1 0 364.409 2.442 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000301175868 553628323 /nfs/dbraw/zinc/62/83/23/553628323.db2.gz GIGFHDGEZJPLCN-UHFFFAOYSA-N 1 0 373.438 2.381 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000301860253 553686242 /nfs/dbraw/zinc/68/62/42/553686242.db2.gz DIYOEPDQOYFEOA-GFCCVEGCSA-N 1 0 371.235 2.418 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301866994 553686691 /nfs/dbraw/zinc/68/66/91/553686691.db2.gz GFVGXAYNIKNCMT-CYBMUJFWSA-N 1 0 355.460 2.388 20 5 FEBDRO C[N@@H+]1CCN(CCCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000302179789 553709191 /nfs/dbraw/zinc/70/91/91/553709191.db2.gz YYEUCEKJTZERDB-KRWDZBQOSA-N 1 0 356.430 2.176 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC[C@@H]3CO)ncn1)CC2 ZINC000302903768 553741471 /nfs/dbraw/zinc/74/14/71/553741471.db2.gz RQFKAPZLJZOMQB-QGZVFWFLSA-N 1 0 369.425 2.299 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000302981459 553742900 /nfs/dbraw/zinc/74/29/00/553742900.db2.gz KLPZEYVAHDQRET-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000302981452 553742962 /nfs/dbraw/zinc/74/29/62/553742962.db2.gz KLPZEYVAHDQRET-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000322427808 553768496 /nfs/dbraw/zinc/76/84/96/553768496.db2.gz NSFQAVOASCPJOJ-ZWNOBZJWSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324201854 553771614 /nfs/dbraw/zinc/77/16/14/553771614.db2.gz NCSWLSQXHNRLIB-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000324971905 553774395 /nfs/dbraw/zinc/77/43/95/553774395.db2.gz OCNOWNISEBIKAX-UKRRQHHQSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1C ZINC000327933867 553792106 /nfs/dbraw/zinc/79/21/06/553792106.db2.gz OGBQZXVLAITUPF-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1cccc(OC)c1 ZINC000505999889 561687214 /nfs/dbraw/zinc/68/72/14/561687214.db2.gz PXOAYADXQQUQSV-HNNXBMFYSA-N 1 0 361.402 2.139 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331736620 554318933 /nfs/dbraw/zinc/31/89/33/554318933.db2.gz UEVYCOICDGLMPM-KXBFYZLASA-N 1 0 361.442 2.414 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331851156 554330833 /nfs/dbraw/zinc/33/08/33/554330833.db2.gz CZZLGZULHHFHFR-ZIAGYGMSSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331918262 554346525 /nfs/dbraw/zinc/34/65/25/554346525.db2.gz NYAIIJQPFOVPSE-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ncc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000509621753 561807695 /nfs/dbraw/zinc/80/76/95/561807695.db2.gz ALWVWFWHMDQCRU-UHFFFAOYSA-N 1 0 367.413 2.282 20 5 FEBDRO COc1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332199663 554400063 /nfs/dbraw/zinc/40/00/63/554400063.db2.gz QEDZPIRISCFAME-DZGCQCFKSA-N 1 0 365.455 2.255 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000332331015 554426554 /nfs/dbraw/zinc/42/65/54/554426554.db2.gz QGXNCUIQYHCZHJ-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000509928770 561818754 /nfs/dbraw/zinc/81/87/54/561818754.db2.gz WXKDMEHGANXOLK-UHFFFAOYSA-N 1 0 363.414 2.185 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000511247071 561862566 /nfs/dbraw/zinc/86/25/66/561862566.db2.gz AMAVXLLUCLCGQM-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000511321090 561865286 /nfs/dbraw/zinc/86/52/86/561865286.db2.gz JQOQQUJZZFQFRR-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO O=C(c1ccc[nH]1)N1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000359941652 554857504 /nfs/dbraw/zinc/85/75/04/554857504.db2.gz NKLWTQUIOFJLRN-UHFFFAOYSA-N 1 0 358.398 2.150 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000360468783 554876156 /nfs/dbraw/zinc/87/61/56/554876156.db2.gz XHKFZPXRHXSIDO-CYBMUJFWSA-N 1 0 354.401 2.337 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787822 554988479 /nfs/dbraw/zinc/98/84/79/554988479.db2.gz LCBLCUDWFQLBKC-IAGOWNOFSA-N 1 0 374.441 2.132 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363043090 555017282 /nfs/dbraw/zinc/01/72/82/555017282.db2.gz VOKVRMCKADQMIP-KBPBESRZSA-N 1 0 357.414 2.220 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363231460 555059831 /nfs/dbraw/zinc/05/98/31/555059831.db2.gz VNHZLXLOUNAQHE-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711459 555169667 /nfs/dbraw/zinc/16/96/67/555169667.db2.gz JIBLHSVZCKSPMD-FZKQIMNGSA-N 1 0 372.381 2.420 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(F)cc1 ZINC000364204463 555269134 /nfs/dbraw/zinc/26/91/34/555269134.db2.gz KWHZOOVOXRBGMQ-DLBZAZTESA-N 1 0 359.357 2.066 20 5 FEBDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229615 555274354 /nfs/dbraw/zinc/27/43/54/555274354.db2.gz NSYODBQLBYBQIH-GASCZTMLSA-N 1 0 365.478 2.040 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322092 555290826 /nfs/dbraw/zinc/29/08/26/555290826.db2.gz DMDYZVXFFHDKCE-ZIAGYGMSSA-N 1 0 352.387 2.016 20 5 FEBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458170 561905927 /nfs/dbraw/zinc/90/59/27/561905927.db2.gz YSFXABBFJOVFRO-GDBMZVCRSA-N 1 0 361.442 2.499 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892681 555428152 /nfs/dbraw/zinc/42/81/52/555428152.db2.gz GIBMUGXOHHVWKO-OAHLLOKOSA-N 1 0 374.441 2.181 20 5 FEBDRO CC[NH+]1CCC(N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C2CC2)CC1 ZINC000365017098 555465373 /nfs/dbraw/zinc/46/53/73/555465373.db2.gz WQFBPOUKORCVCM-UHFFFAOYSA-N 1 0 361.398 2.412 20 5 FEBDRO CNC(=O)COc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000513089160 561924949 /nfs/dbraw/zinc/92/49/49/561924949.db2.gz MDQGAWBKFOFXDQ-UHFFFAOYSA-N 1 0 359.382 2.018 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000365497945 555591534 /nfs/dbraw/zinc/59/15/34/555591534.db2.gz YRAYTJXQZLFSFU-OAHLLOKOSA-N 1 0 370.409 2.476 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513419574 561937572 /nfs/dbraw/zinc/93/75/72/561937572.db2.gz IPCKIWKSKLZIIU-DZGCQCFKSA-N 1 0 357.414 2.443 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000365826350 555676677 /nfs/dbraw/zinc/67/66/77/555676677.db2.gz PUOGJHXYXZOLRH-OAGGEKHMSA-N 1 0 351.359 2.319 20 5 FEBDRO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n(C)c1C ZINC000366035121 555732677 /nfs/dbraw/zinc/73/26/77/555732677.db2.gz OILXNLAYCKOCJY-UHFFFAOYSA-N 1 0 361.402 2.062 20 5 FEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366578921 555881627 /nfs/dbraw/zinc/88/16/27/555881627.db2.gz QKFDSSAGIKXIGI-KBXCAEBGSA-N 1 0 363.414 2.193 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000366700619 555912553 /nfs/dbraw/zinc/91/25/53/555912553.db2.gz XMSXTBLFXZTCDH-HUUCEWRRSA-N 1 0 357.414 2.104 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)co2)cc1 ZINC000366898188 555963711 /nfs/dbraw/zinc/96/37/11/555963711.db2.gz ZZSITKUQSYBVHL-QZTJIDSGSA-N 1 0 372.425 2.281 20 5 FEBDRO CC(=O)c1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437468 556048449 /nfs/dbraw/zinc/04/84/49/556048449.db2.gz WMZJWYIWJSJYHU-RDTXWAMCSA-N 1 0 360.458 2.260 20 5 FEBDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856334 561983648 /nfs/dbraw/zinc/98/36/48/561983648.db2.gz XVPFQXOXUQBASB-WMLDXEAASA-N 1 0 362.430 2.428 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000367883694 556164284 /nfs/dbraw/zinc/16/42/84/556164284.db2.gz CZQZPOSQLKKEBF-GOEBONIOSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000367909060 556170161 /nfs/dbraw/zinc/17/01/61/556170161.db2.gz WTYBOJUWZIZLPA-TZMCWYRMSA-N 1 0 362.386 2.416 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+](C)C)cc1 ZINC000514980602 561989806 /nfs/dbraw/zinc/98/98/06/561989806.db2.gz FIXICVSMYYXACD-INIZCTEOSA-N 1 0 358.398 2.291 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000368037855 556200895 /nfs/dbraw/zinc/20/08/95/556200895.db2.gz UJOPXDOHCFYIHA-AWEZNQCLSA-N 1 0 361.398 2.414 20 5 FEBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCc2cccnc21 ZINC000368368863 556289621 /nfs/dbraw/zinc/28/96/21/556289621.db2.gz CSKKKCVTTLZHOR-QGZVFWFLSA-N 1 0 372.425 2.178 20 5 FEBDRO CC(C)[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000368407333 556299366 /nfs/dbraw/zinc/29/93/66/556299366.db2.gz NGWSRLLVDRWETO-DOTOQJQBSA-N 1 0 363.462 2.465 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368427386 556305991 /nfs/dbraw/zinc/30/59/91/556305991.db2.gz UKGPXMKGLISIOZ-MRXNPFEDSA-N 1 0 366.381 2.454 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000515310358 562004598 /nfs/dbraw/zinc/00/45/98/562004598.db2.gz RHDPTFFPUQDLOQ-OLZOCXBDSA-N 1 0 355.410 2.046 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000369004662 556473544 /nfs/dbraw/zinc/47/35/44/556473544.db2.gz QWQSLCSAQANGGK-SWLSCSKDSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007042 556474179 /nfs/dbraw/zinc/47/41/79/556474179.db2.gz BTSFNULYDLNHKA-RDJZCZTQSA-N 1 0 360.414 2.177 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369379603 556585339 /nfs/dbraw/zinc/58/53/39/556585339.db2.gz NBSATQQFVJLSLV-HNNXBMFYSA-N 1 0 372.429 2.378 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000369715531 556676384 /nfs/dbraw/zinc/67/63/84/556676384.db2.gz UPIYELNREJMCOG-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO CC1CCC(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369781128 556692733 /nfs/dbraw/zinc/69/27/33/556692733.db2.gz AOHLVXGYCGWXCP-ARWYELJZSA-N 1 0 366.462 2.212 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@@H+]2C)cn1 ZINC000369818889 556703825 /nfs/dbraw/zinc/70/38/25/556703825.db2.gz KBVKDVCICGGTGU-IAQYHMDHSA-N 1 0 363.443 2.203 20 5 FEBDRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369994790 556751727 /nfs/dbraw/zinc/75/17/27/556751727.db2.gz IUFIBEYKYCPGBE-QGZVFWFLSA-N 1 0 355.398 2.239 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000370122063 556786432 /nfs/dbraw/zinc/78/64/32/556786432.db2.gz XLGCHTWDQXCDTC-KRWDZBQOSA-N 1 0 374.441 2.400 20 5 FEBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CCN1C1CC[NH+](C)CC1 ZINC000370121531 556786473 /nfs/dbraw/zinc/78/64/73/556786473.db2.gz MSHMXYZOQFCOFC-AWEZNQCLSA-N 1 0 359.474 2.168 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370408947 556863650 /nfs/dbraw/zinc/86/36/50/556863650.db2.gz ZQLARHCTUCLUQP-LJQANCHMSA-N 1 0 374.441 2.176 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000370760952 556960548 /nfs/dbraw/zinc/96/05/48/556960548.db2.gz OKNXXYKMKSNDLP-BLLLJJGKSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818522 556977732 /nfs/dbraw/zinc/97/77/32/556977732.db2.gz GRTBVRMRKMRDFD-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827257 556981255 /nfs/dbraw/zinc/98/12/55/556981255.db2.gz RIEQAXZKDWYYBR-GXTWGEPZSA-N 1 0 373.331 2.207 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847606 556989204 /nfs/dbraw/zinc/98/92/04/556989204.db2.gz ZWUOGFSWFLZLRF-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221581 557111099 /nfs/dbraw/zinc/11/10/99/557111099.db2.gz XUSSZZASIGHLFL-RHSMWYFYSA-N 1 0 360.458 2.001 20 5 FEBDRO CCN1CCC([N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258561 557122227 /nfs/dbraw/zinc/12/22/27/557122227.db2.gz BGPKQYAEAUOCEA-SFHVURJKSA-N 1 0 363.458 2.283 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371356064 557158151 /nfs/dbraw/zinc/15/81/51/557158151.db2.gz VAZNUKOUYODDQD-KTJBFALPSA-N 1 0 372.469 2.092 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372126724 557386997 /nfs/dbraw/zinc/38/69/97/557386997.db2.gz PSLBHCGEKHMIPB-ZDUSSCGKSA-N 1 0 355.398 2.340 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372156394 557394516 /nfs/dbraw/zinc/39/45/16/557394516.db2.gz KHIOCXUHTLMPFA-KGLIPLIRSA-N 1 0 363.414 2.290 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000518858687 562119901 /nfs/dbraw/zinc/11/99/01/562119901.db2.gz AAHGLBACRVRCKX-UHFFFAOYSA-N 1 0 350.419 2.149 20 5 FEBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000372353601 557448142 /nfs/dbraw/zinc/44/81/42/557448142.db2.gz ANWPTHJVBCYKOH-WBVHZDCISA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000372639205 557527573 /nfs/dbraw/zinc/52/75/73/557527573.db2.gz MBSXVFPIULGUQT-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO C[N@H+](C[C@H]1CC12CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2)C1CC1 ZINC000373217967 557651502 /nfs/dbraw/zinc/65/15/02/557651502.db2.gz RZRXDYWCCYSUIX-CYBMUJFWSA-N 1 0 360.414 2.032 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000373224175 557652997 /nfs/dbraw/zinc/65/29/97/557652997.db2.gz PWNUKMRAPDQNHN-UHFFFAOYSA-N 1 0 365.405 2.308 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000373591615 557725176 /nfs/dbraw/zinc/72/51/76/557725176.db2.gz GHFDPVFHZSWLQM-KBXCAEBGSA-N 1 0 364.398 2.005 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000373609117 557728724 /nfs/dbraw/zinc/72/87/24/557728724.db2.gz GBRDQLPUQAJKDB-WMZOPIPTSA-N 1 0 355.398 2.124 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])cc1OC ZINC000373955503 557795740 /nfs/dbraw/zinc/79/57/40/557795740.db2.gz JMGNXNMKFPAOGY-CQSZACIVSA-N 1 0 373.413 2.161 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520901957 562165927 /nfs/dbraw/zinc/16/59/27/562165927.db2.gz QOKHIAXCAXTGDZ-JTQLQIEISA-N 1 0 356.810 2.032 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000374391294 557877587 /nfs/dbraw/zinc/87/75/87/557877587.db2.gz XGAQNRHJCQBGQR-OAHLLOKOSA-N 1 0 359.357 2.286 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000374529783 557895682 /nfs/dbraw/zinc/89/56/82/557895682.db2.gz YOLGBUKMFNLTNK-DDUZABMNSA-N 1 0 363.414 2.240 20 5 FEBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598584 557904788 /nfs/dbraw/zinc/90/47/88/557904788.db2.gz XUAAWFFYIUYUDQ-SKDZVZGDSA-N 1 0 360.414 2.244 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000374608953 557906370 /nfs/dbraw/zinc/90/63/70/557906370.db2.gz CXVFDCYMVWBEMM-YUTCNCBUSA-N 1 0 362.386 2.319 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000374755571 557926189 /nfs/dbraw/zinc/92/61/89/557926189.db2.gz SBUNNEVYDKTQAK-MRXNPFEDSA-N 1 0 365.393 2.490 20 5 FEBDRO C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883172 557945654 /nfs/dbraw/zinc/94/56/54/557945654.db2.gz RLPBFJVDSGYPBP-APWZRJJASA-N 1 0 373.457 2.013 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000375051525 557970055 /nfs/dbraw/zinc/97/00/55/557970055.db2.gz WIWXHOPGOUBYSO-MOPGFXCFSA-N 1 0 369.421 2.408 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1SC ZINC000375252928 557999374 /nfs/dbraw/zinc/99/93/74/557999374.db2.gz OPLNWHPCKQOJSS-RTCCRHLQSA-N 1 0 351.428 2.420 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC000375278985 558003487 /nfs/dbraw/zinc/00/34/87/558003487.db2.gz JJSGQSJOJBTULG-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466933 558032059 /nfs/dbraw/zinc/03/20/59/558032059.db2.gz XGRBEJDNICYJNE-UKRRQHHQSA-N 1 0 374.397 2.084 20 5 FEBDRO O=C(CC[N@@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000375594876 558054289 /nfs/dbraw/zinc/05/42/89/558054289.db2.gz BZCGABJNVYNAGK-HNNXBMFYSA-N 1 0 374.441 2.400 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3ncnn3-c3ccccc3)C2)c1 ZINC000375612964 558057056 /nfs/dbraw/zinc/05/70/56/558057056.db2.gz PGEJILNPIVRVCB-HNNXBMFYSA-N 1 0 353.386 2.209 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521650662 562181440 /nfs/dbraw/zinc/18/14/40/562181440.db2.gz WEKUQMOHVLIXRY-LBPRGKRZSA-N 1 0 361.398 2.113 20 5 FEBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000376269412 558150088 /nfs/dbraw/zinc/15/00/88/558150088.db2.gz ZFGWFSDARJMVSJ-UHFFFAOYSA-N 1 0 369.425 2.460 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000376494007 558180697 /nfs/dbraw/zinc/18/06/97/558180697.db2.gz YLOPKXFNAYKNFD-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC[NH2+]1 ZINC000377076263 558261021 /nfs/dbraw/zinc/26/10/21/558261021.db2.gz FNVVGOURGNLFAT-OIWLHUINSA-N 1 0 372.469 2.383 20 5 FEBDRO COc1cc(C(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000522435553 562198427 /nfs/dbraw/zinc/19/84/27/562198427.db2.gz WKZYKOWHDYYNPR-UHFFFAOYSA-N 1 0 361.345 2.275 20 5 FEBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]([C@@H]2CCCO2)N1 ZINC000377727188 558406455 /nfs/dbraw/zinc/40/64/55/558406455.db2.gz RGPBLFNLFCHCIM-DUVNUKRYSA-N 1 0 353.806 2.164 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000522595854 562200206 /nfs/dbraw/zinc/20/02/06/562200206.db2.gz GEHUILBIOVEGAS-MRXNPFEDSA-N 1 0 359.430 2.254 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000522733339 562202939 /nfs/dbraw/zinc/20/29/39/562202939.db2.gz XSWVKTXZNGLDQM-UHFFFAOYSA-N 1 0 369.849 2.360 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000377874314 558439232 /nfs/dbraw/zinc/43/92/32/558439232.db2.gz MXBRXBHGMGSCNY-TZMCWYRMSA-N 1 0 368.821 2.311 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000378012021 558463074 /nfs/dbraw/zinc/46/30/74/558463074.db2.gz USJOKZVWUBLNRR-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000378024134 558465415 /nfs/dbraw/zinc/46/54/15/558465415.db2.gz NCEMAZQDJSWTLR-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649449 562216593 /nfs/dbraw/zinc/21/65/93/562216593.db2.gz OLUBLODWZVOTNX-HIFRSBDPSA-N 1 0 363.414 2.046 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2cccs2)CC1 ZINC000378570695 558586222 /nfs/dbraw/zinc/58/62/22/558586222.db2.gz OIQZLBDYTIFJOB-UHFFFAOYSA-N 1 0 361.427 2.259 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000397254811 558624183 /nfs/dbraw/zinc/62/41/83/558624183.db2.gz HUEXEBAWTZMYTE-OUAUKWLOSA-N 1 0 361.851 2.242 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000404879980 558632104 /nfs/dbraw/zinc/63/21/04/558632104.db2.gz RCXSNZHYPLBHIK-UHFFFAOYSA-N 1 0 366.219 2.464 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C ZINC000405307687 558632344 /nfs/dbraw/zinc/63/23/44/558632344.db2.gz NCOXXVOZIJBSNL-RISCZKNCSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408342949 558669077 /nfs/dbraw/zinc/66/90/77/558669077.db2.gz MFXMEHRSLMZZBV-HUUCEWRRSA-N 1 0 353.444 2.117 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000525103987 562240573 /nfs/dbraw/zinc/24/05/73/562240573.db2.gz VUJCBVWOPVXTBC-VXGBXAGGSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000411170762 558848011 /nfs/dbraw/zinc/84/80/11/558848011.db2.gz VGYLGLXTVJLRDT-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC[NH+]2CCCCC2)c1F ZINC000411185198 558850096 /nfs/dbraw/zinc/85/00/96/558850096.db2.gz HEYFGEFUPGWFPH-UHFFFAOYSA-N 1 0 353.394 2.277 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000411397751 558887871 /nfs/dbraw/zinc/88/78/71/558887871.db2.gz ZNAWPOQBTRTWFY-UHFFFAOYSA-N 1 0 364.446 2.196 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411601728 558927226 /nfs/dbraw/zinc/92/72/26/558927226.db2.gz BBDQZWNYIGQTED-AVGNSLFASA-N 1 0 351.403 2.430 20 5 FEBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617224 558929897 /nfs/dbraw/zinc/92/98/97/558929897.db2.gz KOKKIEBKJKQZAW-MJEQTWJJSA-N 1 0 361.398 2.197 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412086922 559011691 /nfs/dbraw/zinc/01/16/91/559011691.db2.gz RORDEUXRBRLGBN-AWEZNQCLSA-N 1 0 362.430 2.221 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412086925 559011910 /nfs/dbraw/zinc/01/19/10/559011910.db2.gz RORDEUXRBRLGBN-CQSZACIVSA-N 1 0 362.430 2.221 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412165232 559017902 /nfs/dbraw/zinc/01/79/02/559017902.db2.gz UKJNBJMMTAETTB-GFCCVEGCSA-N 1 0 353.394 2.228 20 5 FEBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412203932 559019837 /nfs/dbraw/zinc/01/98/37/559019837.db2.gz KMTAMCJYGBJJSL-UHFFFAOYSA-N 1 0 357.414 2.207 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000413189636 559087269 /nfs/dbraw/zinc/08/72/69/559087269.db2.gz CHTHJZOOSLBUDC-WMLDXEAASA-N 1 0 360.389 2.424 20 5 FEBDRO C[NH+]1CCC(CNc2ccc(Cl)cc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000413481626 559111072 /nfs/dbraw/zinc/11/10/72/559111072.db2.gz NVJUYRLRFBMWEG-UHFFFAOYSA-N 1 0 368.865 2.457 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1F ZINC000413671897 559123892 /nfs/dbraw/zinc/12/38/92/559123892.db2.gz QARDASLGZWADSQ-LBPRGKRZSA-N 1 0 367.421 2.474 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CCCCn2cc(C(N)=O)nn2)c2cc([N+](=O)[O-])ccc21 ZINC000414344149 559157491 /nfs/dbraw/zinc/15/74/91/559157491.db2.gz CEWZYEDTPDDQHN-HNNXBMFYSA-N 1 0 372.429 2.078 20 5 FEBDRO CCOc1cc(NC(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000414761211 559185953 /nfs/dbraw/zinc/18/59/53/559185953.db2.gz SLIDENLMVNVEEE-UHFFFAOYSA-N 1 0 352.391 2.219 20 5 FEBDRO COC(=O)COc1ccc(CNCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000414859717 559191297 /nfs/dbraw/zinc/19/12/97/559191297.db2.gz NFOULDODMZLRLA-UHFFFAOYSA-N 1 0 365.430 2.288 20 5 FEBDRO CN(c1ccccc1)c1ccc(CNC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415098156 559205141 /nfs/dbraw/zinc/20/51/41/559205141.db2.gz UZPMKALIEWLENW-QGZVFWFLSA-N 1 0 356.426 2.441 20 5 FEBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000415167653 559211235 /nfs/dbraw/zinc/21/12/35/559211235.db2.gz HRNGMCUVCJZZMB-UHFFFAOYSA-N 1 0 370.409 2.268 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000415594796 559253770 /nfs/dbraw/zinc/25/37/70/559253770.db2.gz GMEZYFSRERZTJT-AWEZNQCLSA-N 1 0 364.402 2.329 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000415660929 559259236 /nfs/dbraw/zinc/25/92/36/559259236.db2.gz OMSSDGMTEUOXIO-UHFFFAOYSA-N 1 0 370.409 2.219 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000415837921 559276912 /nfs/dbraw/zinc/27/69/12/559276912.db2.gz ZKGFHPYGQPOLET-MRXNPFEDSA-N 1 0 370.409 2.438 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415868488 559280109 /nfs/dbraw/zinc/28/01/09/559280109.db2.gz LZOAQYLQAOHOTK-CYBMUJFWSA-N 1 0 362.430 2.089 20 5 FEBDRO CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417303294 559356720 /nfs/dbraw/zinc/35/67/20/559356720.db2.gz AFUBBLQRRNYRJO-WBVHZDCISA-N 1 0 367.471 2.376 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000417711033 559373602 /nfs/dbraw/zinc/37/36/02/559373602.db2.gz CVNVACPDQLNHBR-CABCVRRESA-N 1 0 363.462 2.474 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCCC2=CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000417715320 559373788 /nfs/dbraw/zinc/37/37/88/559373788.db2.gz JUOPHUHGBIJVMY-UHFFFAOYSA-N 1 0 361.446 2.314 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000417994485 559385670 /nfs/dbraw/zinc/38/56/70/559385670.db2.gz REQSWQRGFLUBBD-GFCCVEGCSA-N 1 0 362.764 2.087 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417996622 559385764 /nfs/dbraw/zinc/38/57/64/559385764.db2.gz SVRLJVMGIZPVTE-GXTWGEPZSA-N 1 0 352.822 2.184 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418092166 559389889 /nfs/dbraw/zinc/38/98/89/559389889.db2.gz QWEOARLNYOHHTL-RYUDHWBXSA-N 1 0 372.347 2.365 20 5 FEBDRO [NH3+][C@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000418452723 559402157 /nfs/dbraw/zinc/40/21/57/559402157.db2.gz OGIABPGZCPXOLG-MRXNPFEDSA-N 1 0 369.425 2.126 20 5 FEBDRO COC[C@@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[NH2+]1 ZINC000418652701 559409613 /nfs/dbraw/zinc/40/96/13/559409613.db2.gz JBKLHHUPUTXKTN-SFHVURJKSA-N 1 0 362.430 2.037 20 5 FEBDRO COC[C@]1(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCC[NH2+]1 ZINC000418652700 559409645 /nfs/dbraw/zinc/40/96/45/559409645.db2.gz JBKLHHUPUTXKTN-GOSISDBHSA-N 1 0 362.430 2.037 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418747222 559413677 /nfs/dbraw/zinc/41/36/77/559413677.db2.gz AGISSDDAHRFSQH-CQSZACIVSA-N 1 0 354.357 2.266 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419373583 559439961 /nfs/dbraw/zinc/43/99/61/559439961.db2.gz JICUKHPCIJZVCQ-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420365974 559483202 /nfs/dbraw/zinc/48/32/02/559483202.db2.gz TYJZYEQMFIBYHC-ICSRJNTNSA-N 1 0 355.438 2.490 20 5 FEBDRO [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420398722 559485304 /nfs/dbraw/zinc/48/53/04/559485304.db2.gz GZPRJMBUDAYCFB-RDTXWAMCSA-N 1 0 352.394 2.090 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420398849 559485345 /nfs/dbraw/zinc/48/53/45/559485345.db2.gz ZFPHFVYVRAZHIE-OCBCSQNSSA-N 1 0 372.400 2.488 20 5 FEBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000421036616 559521240 /nfs/dbraw/zinc/52/12/40/559521240.db2.gz QOSPQVGLOWPGNO-CQSZACIVSA-N 1 0 365.430 2.406 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000421766008 559552563 /nfs/dbraw/zinc/55/25/63/559552563.db2.gz BRJHPZRFVNRBCZ-KRWDZBQOSA-N 1 0 374.485 2.454 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000422552664 559594621 /nfs/dbraw/zinc/59/46/21/559594621.db2.gz HZGIXJUCUSKQNO-RDBSUJKOSA-N 1 0 355.460 2.206 20 5 FEBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000423418095 559628494 /nfs/dbraw/zinc/62/84/94/559628494.db2.gz UDNMSVQJDARUAL-WFASDCNBSA-N 1 0 355.398 2.336 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000423524589 559631153 /nfs/dbraw/zinc/63/11/53/559631153.db2.gz ZRDLJGBDVGAKFJ-LBPRGKRZSA-N 1 0 356.382 2.457 20 5 FEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836441 559642014 /nfs/dbraw/zinc/64/20/14/559642014.db2.gz FUKIFTVZPJAOJX-CZUORRHYSA-N 1 0 355.822 2.397 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423948161 559647570 /nfs/dbraw/zinc/64/75/70/559647570.db2.gz KQQCBIBFPQZPQN-UHFFFAOYSA-N 1 0 372.425 2.287 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423950183 559647735 /nfs/dbraw/zinc/64/77/35/559647735.db2.gz HZNPDYUCJDGQPE-CQSZACIVSA-N 1 0 355.460 2.326 20 5 FEBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000423963136 559648225 /nfs/dbraw/zinc/64/82/25/559648225.db2.gz FFQOAOXSBBKDPW-TZMCWYRMSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1cccc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424022012 559651507 /nfs/dbraw/zinc/65/15/07/559651507.db2.gz CFJBNXNWUBYTGS-DZGCQCFKSA-N 1 0 359.357 2.309 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424023627 559651667 /nfs/dbraw/zinc/65/16/67/559651667.db2.gz BIJVFRWTLDXFPL-DZGCQCFKSA-N 1 0 359.357 2.309 20 5 FEBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000424032460 559651959 /nfs/dbraw/zinc/65/19/59/559651959.db2.gz LBFDCYGITUGAMG-UHFFFAOYSA-N 1 0 359.430 2.138 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000424031736 559651978 /nfs/dbraw/zinc/65/19/78/559651978.db2.gz HYJOEAGKPHQJJJ-DZGCQCFKSA-N 1 0 358.373 2.273 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000424239140 559659045 /nfs/dbraw/zinc/65/90/45/559659045.db2.gz LQRANENGONPCBH-CQSZACIVSA-N 1 0 372.381 2.198 20 5 FEBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424277962 559660718 /nfs/dbraw/zinc/66/07/18/559660718.db2.gz HLQDLJJHAKOTMJ-UWOLEIRVSA-N 1 0 368.455 2.162 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000424422225 559663960 /nfs/dbraw/zinc/66/39/60/559663960.db2.gz DOBRVEGLCVOQHI-UHFFFAOYSA-N 1 0 358.402 2.427 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000425241731 559692955 /nfs/dbraw/zinc/69/29/55/559692955.db2.gz QQODTMCPWOLGGX-ZDUSSCGKSA-N 1 0 367.413 2.670 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000426879811 559743567 /nfs/dbraw/zinc/74/35/67/559743567.db2.gz WHQJERYOGYDMLE-CYBMUJFWSA-N 1 0 365.411 2.210 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCC(F)(F)F ZINC000427286506 559752153 /nfs/dbraw/zinc/75/21/53/559752153.db2.gz GDCVJQWOOHIYQU-UHFFFAOYSA-N 1 0 366.315 2.320 20 5 FEBDRO O=C(C[C@H]1CC[NH2+]C1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000427375958 559754358 /nfs/dbraw/zinc/75/43/58/559754358.db2.gz KAIYPOFGYSYAQI-SNVBAGLBSA-N 1 0 360.336 2.141 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398386 559797789 /nfs/dbraw/zinc/79/77/89/559797789.db2.gz ICFQDEYMNPAQEH-WWGRRREGSA-N 1 0 363.414 2.441 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433954935 559891187 /nfs/dbraw/zinc/89/11/87/559891187.db2.gz XYBNREDVWOZOCF-OAHLLOKOSA-N 1 0 361.446 2.323 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000439029155 559987440 /nfs/dbraw/zinc/98/74/40/559987440.db2.gz OLDOXIYZKFBWGF-AWEZNQCLSA-N 1 0 352.435 2.426 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000440418057 560010704 /nfs/dbraw/zinc/01/07/04/560010704.db2.gz FTJQEIHDEMYAPH-QMMMGPOBSA-N 1 0 368.242 2.132 20 5 FEBDRO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000440509744 560012940 /nfs/dbraw/zinc/01/29/40/560012940.db2.gz JJLYNWSNLNPJDR-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO CCO[C@H]1C[C@](CO)([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799705 560121040 /nfs/dbraw/zinc/12/10/40/560121040.db2.gz IHLZCTLFQUCWAD-FUHWJXTLSA-N 1 0 368.430 2.138 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446080625 560139574 /nfs/dbraw/zinc/13/95/74/560139574.db2.gz MPLLXUJVDQTVOR-RWMBFGLXSA-N 1 0 351.403 2.430 20 5 FEBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447514739 560163614 /nfs/dbraw/zinc/16/36/14/560163614.db2.gz HJQMBACNDMKQFP-IXDOHACOSA-N 1 0 365.478 2.221 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cn3c(n2)SCC3)n1 ZINC000447595907 560165069 /nfs/dbraw/zinc/16/50/69/560165069.db2.gz BBKAVWKCHBUQEW-KGLIPLIRSA-N 1 0 362.459 2.410 20 5 FEBDRO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CCN(C)CC1 ZINC000447687738 560167123 /nfs/dbraw/zinc/16/71/23/560167123.db2.gz VHYBITCKLUAVCK-CYBMUJFWSA-N 1 0 358.446 2.076 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447941520 560174127 /nfs/dbraw/zinc/17/41/27/560174127.db2.gz KSAIEMRBQXIMPM-HNNXBMFYSA-N 1 0 355.460 2.302 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCCC[NH+]1CCCC1 ZINC000448595523 560192027 /nfs/dbraw/zinc/19/20/27/560192027.db2.gz IIYFQRQCEMHPHM-UHFFFAOYSA-N 1 0 358.398 2.124 20 5 FEBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCC1 ZINC000448917951 560206466 /nfs/dbraw/zinc/20/64/66/560206466.db2.gz OBFNSCKPIGKAQN-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448959269 560208952 /nfs/dbraw/zinc/20/89/52/560208952.db2.gz DTTZHYQRJDINIZ-OAHLLOKOSA-N 1 0 355.398 2.089 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449261689 560222344 /nfs/dbraw/zinc/22/23/44/560222344.db2.gz DRIYKNINEJSYPP-CRFBAAHOSA-N 1 0 371.441 2.352 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449629020 560235164 /nfs/dbraw/zinc/23/51/64/560235164.db2.gz JXAXSCAQNHURKI-AWEZNQCLSA-N 1 0 365.430 2.063 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449685679 560236912 /nfs/dbraw/zinc/23/69/12/560236912.db2.gz VEFULWRENCUMMB-GOSISDBHSA-N 1 0 364.398 2.149 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449903689 560244917 /nfs/dbraw/zinc/24/49/17/560244917.db2.gz OHVWEPIEGCMPRQ-ZDUSSCGKSA-N 1 0 357.414 2.399 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@@H+]1C1CC1 ZINC000450137429 560251806 /nfs/dbraw/zinc/25/18/06/560251806.db2.gz RYHQRFBMQIURQV-WCQYABFASA-N 1 0 355.398 2.340 20 5 FEBDRO C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)N1CC[NH+](C)CC1 ZINC000450306733 560257766 /nfs/dbraw/zinc/25/77/66/560257766.db2.gz UPBNYFZPLLWCGQ-ZDUSSCGKSA-N 1 0 361.471 2.766 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)C1 ZINC000450336805 560259064 /nfs/dbraw/zinc/25/90/64/560259064.db2.gz BKZVCABAGJLTBO-UKRRQHHQSA-N 1 0 361.446 2.442 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450725672 560271507 /nfs/dbraw/zinc/27/15/07/560271507.db2.gz RTSFCRSATPUCGX-UHFFFAOYSA-N 1 0 357.414 2.447 20 5 FEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+](Cc2ccccc2)C1 ZINC000450811619 560274237 /nfs/dbraw/zinc/27/42/37/560274237.db2.gz ODVUICZYUHSKAF-AWEZNQCLSA-N 1 0 369.425 2.047 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335597 560300950 /nfs/dbraw/zinc/30/09/50/560300950.db2.gz DEHZQZPQZRHRSJ-BHIYHBOVSA-N 1 0 373.453 2.499 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000451464705 560308535 /nfs/dbraw/zinc/30/85/35/560308535.db2.gz FUWUBAVMSWFAMN-JCURWCKSSA-N 1 0 363.414 2.335 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451469167 560308931 /nfs/dbraw/zinc/30/89/31/560308931.db2.gz CWRPOGZFFGAQMC-BHYGNILZSA-N 1 0 350.415 2.272 20 5 FEBDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483390 560309659 /nfs/dbraw/zinc/30/96/59/560309659.db2.gz DTTFIUPVOQBIHY-YOEHRIQHSA-N 1 0 365.386 2.055 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598123 560316686 /nfs/dbraw/zinc/31/66/86/560316686.db2.gz NZBFHCYWRSPRFH-KBXCAEBGSA-N 1 0 367.446 2.421 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451648916 560319377 /nfs/dbraw/zinc/31/93/77/560319377.db2.gz AGUQULHDDQYNIC-GASCZTMLSA-N 1 0 351.447 2.269 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890520 560335043 /nfs/dbraw/zinc/33/50/43/560335043.db2.gz NIYZVFBKHMZVGZ-QMTHXVAHSA-N 1 0 361.320 2.169 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452088109 560350369 /nfs/dbraw/zinc/35/03/69/560350369.db2.gz RNQPDVWRKOLOJS-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000452102252 560351443 /nfs/dbraw/zinc/35/14/43/560351443.db2.gz HRMBOTXXFMZISV-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452376528 560361613 /nfs/dbraw/zinc/36/16/13/560361613.db2.gz LDYIHBTXCLKUAQ-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389492 560362956 /nfs/dbraw/zinc/36/29/56/560362956.db2.gz MAOLWHJVCIQDEX-HIFRSBDPSA-N 1 0 367.471 2.038 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452845816 560376045 /nfs/dbraw/zinc/37/60/45/560376045.db2.gz JTCCJOKDNNJNAH-GOSISDBHSA-N 1 0 374.485 2.328 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454197749 560434144 /nfs/dbraw/zinc/43/41/44/560434144.db2.gz KWRKUIKWWFAKNN-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000456877700 560535072 /nfs/dbraw/zinc/53/50/72/560535072.db2.gz CIPKZFOGNZXQSJ-UHFFFAOYSA-N 1 0 354.476 2.111 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000458182371 560607372 /nfs/dbraw/zinc/60/73/72/560607372.db2.gz DVXNAWSLYSEHDC-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000458182383 560607400 /nfs/dbraw/zinc/60/74/00/560607400.db2.gz DVXNAWSLYSEHDC-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000458219057 560609682 /nfs/dbraw/zinc/60/96/82/560609682.db2.gz XYCYVAGFKWCNPL-CYBMUJFWSA-N 1 0 357.414 2.447 20 5 FEBDRO CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517299 560629271 /nfs/dbraw/zinc/62/92/71/560629271.db2.gz SHKGYZUZNUCLIV-SJORKVTESA-N 1 0 364.446 2.192 20 5 FEBDRO COC(=O)CC1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000459394580 560684216 /nfs/dbraw/zinc/68/42/16/560684216.db2.gz XLYVEWWHFCZGQC-UHFFFAOYSA-N 1 0 355.778 2.262 20 5 FEBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000459571267 560695040 /nfs/dbraw/zinc/69/50/40/560695040.db2.gz CELVKOGWBBMZFO-SFHVURJKSA-N 1 0 363.414 2.247 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750868 560706312 /nfs/dbraw/zinc/70/63/12/560706312.db2.gz HSGUCAKBYGOPTQ-HOTGVXAUSA-N 1 0 363.414 2.479 20 5 FEBDRO [NH3+]Cc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000463482508 560816804 /nfs/dbraw/zinc/81/68/04/560816804.db2.gz UETCFGBVSGNONA-UHFFFAOYSA-N 1 0 356.382 2.132 20 5 FEBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1OC)C1CC[NH+](C)CC1 ZINC000464731714 560849231 /nfs/dbraw/zinc/84/92/31/560849231.db2.gz WNUULLKFNYFSCX-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464850810 560853358 /nfs/dbraw/zinc/85/33/58/560853358.db2.gz LCBDPYXQNPUGNS-HIFRSBDPSA-N 1 0 361.398 2.394 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000468900579 560941829 /nfs/dbraw/zinc/94/18/29/560941829.db2.gz IACZBEVZAUSMFF-NRUITVPNSA-N 1 0 357.414 2.341 20 5 FEBDRO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470117953 560974655 /nfs/dbraw/zinc/97/46/55/560974655.db2.gz RQCUYVJSFPZQPM-LBPRGKRZSA-N 1 0 368.409 2.290 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470147567 560975429 /nfs/dbraw/zinc/97/54/29/560975429.db2.gz PVJDFYWCTTWWHP-TXEJJXNPSA-N 1 0 354.382 2.355 20 5 FEBDRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000472600159 561030670 /nfs/dbraw/zinc/03/06/70/561030670.db2.gz PCGMOAWWPSLGQJ-UHFFFAOYSA-N 1 0 366.393 2.053 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000474005525 561063305 /nfs/dbraw/zinc/06/33/05/561063305.db2.gz AOXAAHTZYKRXKK-CQSZACIVSA-N 1 0 352.387 2.195 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000474344803 561071675 /nfs/dbraw/zinc/07/16/75/561071675.db2.gz LMXAZTSWHOHACI-LLVKDONJSA-N 1 0 362.386 2.039 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000475294932 561094356 /nfs/dbraw/zinc/09/43/56/561094356.db2.gz HJXLOQCJWRRFRR-UHFFFAOYSA-N 1 0 359.382 2.182 20 5 FEBDRO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713746 561102951 /nfs/dbraw/zinc/10/29/51/561102951.db2.gz KEPXMCPNHMCSHP-HIFRSBDPSA-N 1 0 365.430 2.061 20 5 FEBDRO COc1c(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000476253812 561114617 /nfs/dbraw/zinc/11/46/17/561114617.db2.gz SKMPILRGBZKHBA-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000533038976 562496444 /nfs/dbraw/zinc/49/64/44/562496444.db2.gz ZJJZNDOPAFXZPQ-WDNDVIMCSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000533047766 562496679 /nfs/dbraw/zinc/49/66/79/562496679.db2.gz MRBDDPDXMKVMHL-ZDUSSCGKSA-N 1 0 357.414 2.284 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000533469332 562510014 /nfs/dbraw/zinc/51/00/14/562510014.db2.gz UOPYCOFWARGUPN-RHSMWYFYSA-N 1 0 364.446 2.345 20 5 FEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866402 562520238 /nfs/dbraw/zinc/52/02/38/562520238.db2.gz DMVBHWIZNYIMKD-ZDUSSCGKSA-N 1 0 354.370 2.368 20 5 FEBDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000541055417 562601587 /nfs/dbraw/zinc/60/15/87/562601587.db2.gz YSBFCDPNMQEMHW-SFHVURJKSA-N 1 0 369.421 2.370 20 5 FEBDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375710 562610745 /nfs/dbraw/zinc/61/07/45/562610745.db2.gz WTTVDTJGOBATME-UONOGXRCSA-N 1 0 355.460 2.289 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908371 562622945 /nfs/dbraw/zinc/62/29/45/562622945.db2.gz KXWWCQZXWRPBBX-DZGCQCFKSA-N 1 0 355.398 2.369 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000541975387 562624906 /nfs/dbraw/zinc/62/49/06/562624906.db2.gz NKPPOKOVOAIIPB-GOSISDBHSA-N 1 0 373.384 2.231 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000556104178 674388299 /nfs/dbraw/zinc/38/82/99/674388299.db2.gz MUZQOSGAYXOILZ-MRXNPFEDSA-N 1 0 361.423 2.409 20 5 FEBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568322471 568024125 /nfs/dbraw/zinc/02/41/25/568024125.db2.gz GEPWNYRUVAFFJG-SFHVURJKSA-N 1 0 352.394 2.305 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000568558050 568051412 /nfs/dbraw/zinc/05/14/12/568051412.db2.gz MXMOTJQMGBUOOG-AEGPPILISA-N 1 0 358.398 2.473 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000603143585 568067353 /nfs/dbraw/zinc/06/73/53/568067353.db2.gz HHHKGKGDOXTMMS-HIFRSBDPSA-N 1 0 372.347 2.224 20 5 FEBDRO Cc1c(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000568620904 568099759 /nfs/dbraw/zinc/09/97/59/568099759.db2.gz QYLJBSTXJPADSG-CQSZACIVSA-N 1 0 360.366 2.161 20 5 FEBDRO Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568976688 568260011 /nfs/dbraw/zinc/26/00/11/568260011.db2.gz CLIUJKYOLMZEQC-UKRRQHHQSA-N 1 0 350.444 2.231 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(CCO)CCCCC1 ZINC000569003509 568263363 /nfs/dbraw/zinc/26/33/63/568263363.db2.gz OCTBPJVWSSNENB-HNNXBMFYSA-N 1 0 352.431 2.257 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C ZINC000569000837 568266093 /nfs/dbraw/zinc/26/60/93/568266093.db2.gz NUQSXOBCDODRLM-KBPBESRZSA-N 1 0 366.437 2.489 20 5 FEBDRO C[C@]1(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC[NH2+]C1 ZINC000569245160 568318925 /nfs/dbraw/zinc/31/89/25/568318925.db2.gz DNEMXOHVUOJTDE-IBGZPJMESA-N 1 0 360.458 2.317 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)cc1[N+](=O)[O-] ZINC000569356673 568396109 /nfs/dbraw/zinc/39/61/09/568396109.db2.gz JEAHHQUFHOVXRH-AWEZNQCLSA-N 1 0 367.471 2.364 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000569514448 568404578 /nfs/dbraw/zinc/40/45/78/568404578.db2.gz DCDXLQKWSCOWQS-XJKSGUPXSA-N 1 0 364.421 2.101 20 5 FEBDRO CCC[C@@](C)([NH3+])C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569572557 568408099 /nfs/dbraw/zinc/40/80/99/568408099.db2.gz CBMJXWHQTJQKNI-GOSISDBHSA-N 1 0 374.445 2.027 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569847465 568428386 /nfs/dbraw/zinc/42/83/86/568428386.db2.gz ZVANDQWQTYQUBQ-KRWDZBQOSA-N 1 0 370.409 2.100 20 5 FEBDRO COC(=O)c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000569860744 568431125 /nfs/dbraw/zinc/43/11/25/568431125.db2.gz CGZRCEGBTIVDGI-OAHLLOKOSA-N 1 0 356.382 2.463 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCSc2ccc(Cl)cc2)c1 ZINC000570201700 568460928 /nfs/dbraw/zinc/46/09/28/568460928.db2.gz CVEUSUUJKSUDJI-CYBMUJFWSA-N 1 0 356.835 2.188 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000570452457 568477412 /nfs/dbraw/zinc/47/74/12/568477412.db2.gz UAGZKQUGXYNDGH-HOTGVXAUSA-N 1 0 371.441 2.141 20 5 FEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000584716729 568557019 /nfs/dbraw/zinc/55/70/19/568557019.db2.gz MMKCTMATEDLMDQ-UONOGXRCSA-N 1 0 362.430 2.303 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924214 674428154 /nfs/dbraw/zinc/42/81/54/674428154.db2.gz IGUKKIWPVIXSLG-UONOGXRCSA-N 1 0 355.460 2.368 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccco1 ZINC000736534523 598500795 /nfs/dbraw/zinc/50/07/95/598500795.db2.gz QBFOKCNGXDLMHR-ZDUSSCGKSA-N 1 0 372.389 2.258 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)Cc1ccccc1 ZINC000825849688 607448927 /nfs/dbraw/zinc/44/89/27/607448927.db2.gz LQQFIPLDAATWRI-HNNXBMFYSA-N 1 0 367.413 2.360 20 5 FEBDRO Cc1nn(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1Br ZINC000809734758 674507705 /nfs/dbraw/zinc/50/77/05/674507705.db2.gz KPUCFAWOEDUWOE-UHFFFAOYSA-N 1 0 368.235 2.365 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000810118294 674533251 /nfs/dbraw/zinc/53/32/51/674533251.db2.gz QOYRDLQPZSSVAF-GFCCVEGCSA-N 1 0 361.439 2.441 20 5 FEBDRO C[C@@H]1CCC[C@](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000820699016 606700551 /nfs/dbraw/zinc/70/05/51/606700551.db2.gz XUBWLUCDSWOQND-BZNIZROVSA-N 1 0 360.422 2.092 20 5 FEBDRO Cc1ccc([C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000822230993 606703175 /nfs/dbraw/zinc/70/31/75/606703175.db2.gz XGVZBXDCGFICAT-AWEZNQCLSA-N 1 0 368.401 2.193 20 5 FEBDRO CC[N@H+]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000821240099 606730892 /nfs/dbraw/zinc/73/08/92/606730892.db2.gz DXRVEBSVUJVGMY-BONVTDFDSA-N 1 0 368.401 2.075 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820703859 607168435 /nfs/dbraw/zinc/16/84/35/607168435.db2.gz KHRJDGANSLLAES-GFCCVEGCSA-N 1 0 360.422 2.236 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824569615 608564050 /nfs/dbraw/zinc/56/40/50/608564050.db2.gz JFYBPDPAANCEMF-MEDUHNTESA-N 1 0 354.370 2.159 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2C1 ZINC000812335257 674668012 /nfs/dbraw/zinc/66/80/12/674668012.db2.gz QDBSIIQVQGWIFA-MNOVXSKESA-N 1 0 355.341 2.220 20 5 FEBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000561548457 674678428 /nfs/dbraw/zinc/67/84/28/674678428.db2.gz BHWWNIVGVWKXBH-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1SC ZINC000563617102 674917613 /nfs/dbraw/zinc/91/76/13/674917613.db2.gz INLTYMHWDFMWCS-NSHDSACASA-N 1 0 351.428 2.292 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750305 675077638 /nfs/dbraw/zinc/07/76/38/675077638.db2.gz LDLOYDINFHOUKB-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000065978443 670436025 /nfs/dbraw/zinc/43/60/25/670436025.db2.gz POHHNZRPICJHDF-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817419690 675131298 /nfs/dbraw/zinc/13/12/98/675131298.db2.gz JTWDVHVHEHZYRX-SNVBAGLBSA-N 1 0 357.201 2.383 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000110994378 670853347 /nfs/dbraw/zinc/85/33/47/670853347.db2.gz RBMFIKWCDQWIPO-GFCCVEGCSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000573357263 671112725 /nfs/dbraw/zinc/11/27/25/671112725.db2.gz SGSGHQNPNMGESP-CYBMUJFWSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000574518140 671249301 /nfs/dbraw/zinc/24/93/01/671249301.db2.gz VJKAXHAZAHCVPA-GXTWGEPZSA-N 1 0 353.444 2.323 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ccccc1F ZINC000574863410 671281957 /nfs/dbraw/zinc/28/19/57/671281957.db2.gz XYUAXTLLMXONKR-CYBMUJFWSA-N 1 0 350.346 2.142 20 5 FEBDRO CCc1cnc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000575053210 671295493 /nfs/dbraw/zinc/29/54/93/671295493.db2.gz CFWRKRXSMCPWHC-CYBMUJFWSA-N 1 0 351.428 2.186 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000575740853 671316994 /nfs/dbraw/zinc/31/69/94/671316994.db2.gz KKHCKEKPDNSYJU-DGCLKSJQSA-N 1 0 351.403 2.249 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000608812533 675904577 /nfs/dbraw/zinc/90/45/77/675904577.db2.gz SPMOMTFJNGXYOR-CYBMUJFWSA-N 1 0 351.451 2.036 20 5 FEBDRO Cc1nn(CCC(=O)NC2CC[NH+](CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000608812793 675904679 /nfs/dbraw/zinc/90/46/79/675904679.db2.gz IRQJBNNXRQHWBI-UHFFFAOYSA-N 1 0 351.451 2.035 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000576819518 671397098 /nfs/dbraw/zinc/39/70/98/671397098.db2.gz JTASHCMNLBZIDB-TZMCWYRMSA-N 1 0 355.460 2.260 20 5 FEBDRO COC[C@@]1(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000577055032 671413324 /nfs/dbraw/zinc/41/33/24/671413324.db2.gz OWGQUICPPPGSGK-HNNXBMFYSA-N 1 0 373.862 2.225 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609352699 675919993 /nfs/dbraw/zinc/91/99/93/675919993.db2.gz DLOVXZQYPDSIBX-OKILXGFUSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000609352920 675920041 /nfs/dbraw/zinc/92/00/41/675920041.db2.gz IDJBVVRWDKJUSK-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000577806226 671620766 /nfs/dbraw/zinc/62/07/66/671620766.db2.gz AHURJHXFSDKZME-GFCCVEGCSA-N 1 0 358.464 2.035 20 5 FEBDRO CCC[N@H+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000578348960 671658795 /nfs/dbraw/zinc/65/87/95/671658795.db2.gz ZFLOALZOKPYGMR-CYBMUJFWSA-N 1 0 364.837 2.537 20 5 FEBDRO COC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000609565352 675926917 /nfs/dbraw/zinc/92/69/17/675926917.db2.gz FUXBUHCKVCPUQH-QGZVFWFLSA-N 1 0 350.371 2.350 20 5 FEBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000579583452 671746513 /nfs/dbraw/zinc/74/65/13/671746513.db2.gz ULMQXZMFDOGNNW-VKJFTORMSA-N 1 0 352.431 2.375 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000579705828 671754839 /nfs/dbraw/zinc/75/48/39/671754839.db2.gz QMNZOWJJQPUJQF-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848948 675939064 /nfs/dbraw/zinc/93/90/64/675939064.db2.gz RBZVZOKKORPHJS-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000580552857 671817667 /nfs/dbraw/zinc/81/76/67/671817667.db2.gz DCYKAMAWBAZFHR-ZDUSSCGKSA-N 1 0 352.822 2.373 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000580862443 671841005 /nfs/dbraw/zinc/84/10/05/671841005.db2.gz XDVLNQQZUYDMGZ-OAHLLOKOSA-N 1 0 373.500 2.314 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000610135419 675956182 /nfs/dbraw/zinc/95/61/82/675956182.db2.gz RPNIGPWYNYLVOO-UONOGXRCSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000610135307 675956233 /nfs/dbraw/zinc/95/62/33/675956233.db2.gz PLMNXMXWPUCKQE-NWDGAFQWSA-N 1 0 359.423 2.227 20 5 FEBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000122458891 671966902 /nfs/dbraw/zinc/96/69/02/671966902.db2.gz JTTCQAVPCBCHPX-STQMWFEESA-N 1 0 353.423 2.374 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125459820 672011912 /nfs/dbraw/zinc/01/19/12/672011912.db2.gz NPNGCVLYGWCUEV-NSHDSACASA-N 1 0 373.862 2.319 20 5 FEBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000582840210 672038854 /nfs/dbraw/zinc/03/88/54/672038854.db2.gz ODVVJIJFWDOMBU-FCHSOHFDSA-N 1 0 370.247 2.403 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653433 672125512 /nfs/dbraw/zinc/12/55/12/672125512.db2.gz LIXZVSXMCVDYTL-OLZOCXBDSA-N 1 0 353.423 2.169 20 5 FEBDRO C[NH+](C)CC1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000151741665 672168550 /nfs/dbraw/zinc/16/85/50/672168550.db2.gz UMBCEMJIQAHESS-UHFFFAOYSA-N 1 0 359.423 2.133 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000584410604 672185399 /nfs/dbraw/zinc/18/53/99/672185399.db2.gz KTAOCGMZZDFXJI-UHFFFAOYSA-N 1 0 355.460 2.266 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(OCC[NH+](CC)CC)CC1 ZINC000584551190 672198783 /nfs/dbraw/zinc/19/87/83/672198783.db2.gz WKTMZBLBOYMZSH-UHFFFAOYSA-N 1 0 353.467 2.447 20 5 FEBDRO C[C@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610805574 675998360 /nfs/dbraw/zinc/99/83/60/675998360.db2.gz JACHNJYRGSHMKM-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000175084080 672365299 /nfs/dbraw/zinc/36/52/99/672365299.db2.gz RZKOADKAGBTFJB-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000589310493 672521379 /nfs/dbraw/zinc/52/13/79/672521379.db2.gz FFGHNRZLBAIFEU-HIFRSBDPSA-N 1 0 367.471 2.455 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012808 672554428 /nfs/dbraw/zinc/55/44/28/672554428.db2.gz YURUNEINACZSCT-MFKMUULPSA-N 1 0 357.357 2.341 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590047168 672556511 /nfs/dbraw/zinc/55/65/11/672556511.db2.gz WMXXTIWTSWJSFI-SWLSCSKDSA-N 1 0 358.423 2.494 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000591144288 672654040 /nfs/dbraw/zinc/65/40/40/672654040.db2.gz HQVMRKJJWFVAJT-STQMWFEESA-N 1 0 360.336 2.044 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000591306397 672667590 /nfs/dbraw/zinc/66/75/90/672667590.db2.gz KOLYLUOATNBCQL-IAQYHMDHSA-N 1 0 350.419 2.472 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1OC ZINC000591676187 672700613 /nfs/dbraw/zinc/70/06/13/672700613.db2.gz DVMXAQUZXPCNAA-RISCZKNCSA-N 1 0 351.403 2.202 20 5 FEBDRO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591925682 672722385 /nfs/dbraw/zinc/72/23/85/672722385.db2.gz WPVPPWNIXFMDEX-CQSZACIVSA-N 1 0 350.419 2.229 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592391187 672796805 /nfs/dbraw/zinc/79/68/05/672796805.db2.gz ZKHAOMVBAZGCQL-LSDHHAIUSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592391152 672796843 /nfs/dbraw/zinc/79/68/43/672796843.db2.gz XORBIYHBVZHUDR-HUUCEWRRSA-N 1 0 367.471 2.304 20 5 FEBDRO CC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000592545507 672813489 /nfs/dbraw/zinc/81/34/89/672813489.db2.gz VNKGPYMMNYOFHT-QMTHXVAHSA-N 1 0 370.247 2.486 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000593035483 672866244 /nfs/dbraw/zinc/86/62/44/672866244.db2.gz MZHIHQBQGZNJOS-GFCCVEGCSA-N 1 0 352.387 2.055 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261745207 672902486 /nfs/dbraw/zinc/90/24/86/672902486.db2.gz POJLCGMBGSJJPE-ZDUSSCGKSA-N 1 0 361.851 2.223 20 5 FEBDRO COCC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000593338496 672910454 /nfs/dbraw/zinc/91/04/54/672910454.db2.gz JYNXWMBWSWONLV-UHFFFAOYSA-N 1 0 369.849 2.360 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593730198 672983994 /nfs/dbraw/zinc/98/39/94/672983994.db2.gz FKFLRABNGKTHQB-SWLSCSKDSA-N 1 0 355.460 2.295 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1C ZINC000593730962 672984410 /nfs/dbraw/zinc/98/44/10/672984410.db2.gz PMQYWLGICJYVLT-OCCSQVGLSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911097 673007115 /nfs/dbraw/zinc/00/71/15/673007115.db2.gz CXWJXYMRQNQURR-OUCADQQQSA-N 1 0 353.444 2.323 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485068 673089248 /nfs/dbraw/zinc/08/92/48/673089248.db2.gz VQNQBPULZLHRPK-DOTOQJQBSA-N 1 0 367.471 2.074 20 5 FEBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H]1C ZINC000594568622 673098373 /nfs/dbraw/zinc/09/83/73/673098373.db2.gz ZDQJOVZBQHDKFT-CYBMUJFWSA-N 1 0 352.410 2.101 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750481 673129071 /nfs/dbraw/zinc/12/90/71/673129071.db2.gz JCSOFTLWBDUYNB-CHWSQXEVSA-N 1 0 370.475 2.025 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594789759 673142817 /nfs/dbraw/zinc/14/28/17/673142817.db2.gz KNEWJIDLULUXPW-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594793103 673145003 /nfs/dbraw/zinc/14/50/03/673145003.db2.gz UYNBYWHFDYYPQE-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594794235 673145733 /nfs/dbraw/zinc/14/57/33/673145733.db2.gz ZPNRLOLWSJJBRJ-LBPRGKRZSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959819 673181177 /nfs/dbraw/zinc/18/11/77/673181177.db2.gz GVASJHXAWWLPCP-IPKGXFCISA-N 1 0 356.444 2.391 20 5 FEBDRO COc1cc(C[NH2+]CC2(CC(N)=O)CCCCC2)c([N+](=O)[O-])cc1O ZINC000595000705 673185222 /nfs/dbraw/zinc/18/52/22/673185222.db2.gz MGTPWISQBOHXIJ-UHFFFAOYSA-N 1 0 351.403 2.225 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c(C)cc1[N+](=O)[O-] ZINC000595113460 673195349 /nfs/dbraw/zinc/19/53/49/673195349.db2.gz NVCSYIIONBFYFD-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424021219 673202901 /nfs/dbraw/zinc/20/29/01/673202901.db2.gz BADNOIPWSIWHHX-MRXNPFEDSA-N 1 0 353.806 2.372 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728607171 673205644 /nfs/dbraw/zinc/20/56/44/673205644.db2.gz WFIUSLLDLBZIKC-LBPRGKRZSA-N 1 0 350.375 2.414 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[NH+](CC)CC ZINC000596090763 673357974 /nfs/dbraw/zinc/35/79/74/673357974.db2.gz VTSZRVISLQDJQR-ZDUSSCGKSA-N 1 0 372.491 2.425 20 5 FEBDRO CC(C)[NH+](CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C(C)C ZINC000596147022 673363128 /nfs/dbraw/zinc/36/31/28/673363128.db2.gz LBGSLTJMQYIGCV-UHFFFAOYSA-N 1 0 358.464 2.163 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596235779 673370570 /nfs/dbraw/zinc/37/05/70/673370570.db2.gz ZWHOLQZXKQWUJW-UHFFFAOYSA-N 1 0 365.821 2.403 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000596496329 673389450 /nfs/dbraw/zinc/38/94/50/673389450.db2.gz BZJZIMZKFTZEML-ZDUSSCGKSA-N 1 0 354.382 2.308 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000597100207 673447758 /nfs/dbraw/zinc/44/77/58/673447758.db2.gz GPMFHBSUUZPTJV-RNCFNFMXSA-N 1 0 353.810 2.388 20 5 FEBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000597654222 673496462 /nfs/dbraw/zinc/49/64/62/673496462.db2.gz PTBDXMGOEMFZLO-LBPRGKRZSA-N 1 0 355.460 2.139 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](N2CCOCC2)C1 ZINC000597710560 673501478 /nfs/dbraw/zinc/50/14/78/673501478.db2.gz VNKLETBYOOSYRQ-HNNXBMFYSA-N 1 0 367.833 2.114 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000597859620 673513860 /nfs/dbraw/zinc/51/38/60/673513860.db2.gz WJULZPRWLFDKDF-LLVKDONJSA-N 1 0 351.403 2.215 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000598343058 673561288 /nfs/dbraw/zinc/56/12/88/673561288.db2.gz PZWZYDQDKCWVPM-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598622189 673591702 /nfs/dbraw/zinc/59/17/02/673591702.db2.gz YPUCSJWLOYKIIW-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598716115 673602815 /nfs/dbraw/zinc/60/28/15/673602815.db2.gz XNCBQXYIJJTZPS-OBJOEFQTSA-N 1 0 355.460 2.206 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855286 673610563 /nfs/dbraw/zinc/61/05/63/673610563.db2.gz COWWBDOGJUDUAM-CABZTGNLSA-N 1 0 355.341 2.409 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000598998395 673627367 /nfs/dbraw/zinc/62/73/67/673627367.db2.gz GNWOUMLRVJNDSW-RHPZDQPFSA-N 1 0 352.387 2.048 20 5 FEBDRO COc1cc(C[NH2+]CC2COC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000599012231 673628209 /nfs/dbraw/zinc/62/82/09/673628209.db2.gz PLTUPTJJGAHZOW-UHFFFAOYSA-N 1 0 350.293 2.281 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599672270 673704629 /nfs/dbraw/zinc/70/46/29/673704629.db2.gz CFRMZWMKSUDXAT-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000544381518 673708838 /nfs/dbraw/zinc/70/88/38/673708838.db2.gz ALCNXDZSCPHWTA-DVOMOZLQSA-N 1 0 355.460 2.287 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599736034 673711818 /nfs/dbraw/zinc/71/18/18/673711818.db2.gz AUVDLYNDMXIJIG-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742412343 673727040 /nfs/dbraw/zinc/72/70/40/673727040.db2.gz PMJRZEPIBNCJAH-VHSXEESVSA-N 1 0 352.347 2.184 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000599911486 673727632 /nfs/dbraw/zinc/72/76/32/673727632.db2.gz WBVBTVBMNSGHPU-WCQYABFASA-N 1 0 360.336 2.264 20 5 FEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000599991517 673732480 /nfs/dbraw/zinc/73/24/80/673732480.db2.gz JJYYLMOGBBTFOI-HBYGRHMLSA-N 1 0 355.847 2.359 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000600311020 673757443 /nfs/dbraw/zinc/75/74/43/673757443.db2.gz NPUAXYVDEZKXPI-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000546876876 673824262 /nfs/dbraw/zinc/82/42/62/673824262.db2.gz ALZWFRIUBLBHLM-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(F)cc1[N+](=O)[O-] ZINC000601178077 673831004 /nfs/dbraw/zinc/83/10/04/673831004.db2.gz KMMPNHVNSLSSIU-HNNXBMFYSA-N 1 0 350.394 2.149 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])s1 ZINC000601337633 673844626 /nfs/dbraw/zinc/84/46/26/673844626.db2.gz GDSXLZVKEGDPOU-NWDGAFQWSA-N 1 0 359.473 2.117 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601356442 673847248 /nfs/dbraw/zinc/84/72/48/673847248.db2.gz QMIOXXXLXNCXPW-OSAQELSMSA-N 1 0 351.378 2.058 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601357002 673847463 /nfs/dbraw/zinc/84/74/63/673847463.db2.gz YDGBTXWOPKGLJI-GXTWGEPZSA-N 1 0 373.450 2.393 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000745867663 673854545 /nfs/dbraw/zinc/85/45/45/673854545.db2.gz CMNKGUIPATYHQM-STQMWFEESA-N 1 0 353.394 2.349 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414586 673858510 /nfs/dbraw/zinc/85/85/10/673858510.db2.gz BCUFDCKWEIININ-JSGCOSHPSA-N 1 0 371.434 2.290 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601497220 673870677 /nfs/dbraw/zinc/87/06/77/673870677.db2.gz QSWJXJNBLOXMMD-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO CCC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000601497268 673870692 /nfs/dbraw/zinc/87/06/92/673870692.db2.gz SUFZHOHLJBVXOY-UHFFFAOYSA-N 1 0 368.459 2.019 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000746380589 673874975 /nfs/dbraw/zinc/87/49/75/673874975.db2.gz BMDIWNXKIULMON-GFCCVEGCSA-N 1 0 372.267 2.175 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000601976941 673901007 /nfs/dbraw/zinc/90/10/07/673901007.db2.gz RARVOHBGMIXGRI-TXEJJXNPSA-N 1 0 358.341 2.326 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602423462 673905908 /nfs/dbraw/zinc/90/59/08/673905908.db2.gz ZBVYTQGBWSYJQX-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(F)(F)F ZINC000602497935 673906902 /nfs/dbraw/zinc/90/69/02/673906902.db2.gz YBAGFPDYQYGVEJ-QMMMGPOBSA-N 1 0 370.125 2.367 20 5 FEBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000602511813 673906927 /nfs/dbraw/zinc/90/69/27/673906927.db2.gz RHWVMRJSVRVCHX-WFASDCNBSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602529226 673907244 /nfs/dbraw/zinc/90/72/44/673907244.db2.gz FGPKNHCJTZDVPD-OAHLLOKOSA-N 1 0 365.455 2.237 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1SC ZINC000602535412 673907751 /nfs/dbraw/zinc/90/77/51/673907751.db2.gz YPAIYUDCKLUKNH-AWEZNQCLSA-N 1 0 351.428 2.340 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555101 673907934 /nfs/dbraw/zinc/90/79/34/673907934.db2.gz OMSUMOZMJZDQDP-WCQYABFASA-N 1 0 353.444 2.093 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602555100 673908098 /nfs/dbraw/zinc/90/80/98/673908098.db2.gz OMSUMOZMJZDQDP-DGCLKSJQSA-N 1 0 353.444 2.093 20 5 FEBDRO COC(=O)c1csc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000602636162 673909207 /nfs/dbraw/zinc/90/92/07/673909207.db2.gz HEBOAGLMEYHUPW-UHFFFAOYSA-N 1 0 350.400 2.477 20 5 FEBDRO CCCCCNC(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602761522 673910579 /nfs/dbraw/zinc/91/05/79/673910579.db2.gz DVMXCYBGLHFWNR-UHFFFAOYSA-N 1 0 351.451 2.118 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602891181 673913167 /nfs/dbraw/zinc/91/31/67/673913167.db2.gz LUUIZPHFYVDJLS-IAGOWNOFSA-N 1 0 350.415 2.273 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000747373491 673924352 /nfs/dbraw/zinc/92/43/52/673924352.db2.gz FXHIYQWMRBZWEJ-DAXOMENPSA-N 1 0 351.378 2.058 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC2(Cl)Cl)cc1 ZINC000818948218 675245377 /nfs/dbraw/zinc/24/53/77/675245377.db2.gz CBNHZKNRWPFOAY-SECBINFHSA-N 1 0 353.227 2.152 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000567020474 675260659 /nfs/dbraw/zinc/26/06/59/675260659.db2.gz WAGUDTWHIAWLOS-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819184616 675267518 /nfs/dbraw/zinc/26/75/18/675267518.db2.gz GHTDXODQAXSEMM-IUODEOHRSA-N 1 0 353.419 2.379 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000819198476 675269224 /nfs/dbraw/zinc/26/92/24/675269224.db2.gz SAVQOPGNQAHWRI-DMRZNYOFSA-N 1 0 370.496 2.304 20 5 FEBDRO Cc1c(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819258995 675274819 /nfs/dbraw/zinc/27/48/19/675274819.db2.gz CVTVVFVZLPAUBV-KRWDZBQOSA-N 1 0 353.419 2.269 20 5 FEBDRO Cc1cnc([C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000567709835 675315226 /nfs/dbraw/zinc/31/52/26/675315226.db2.gz AMTAXRFCIATWHV-SMDDNHRTSA-N 1 0 351.428 2.493 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567859250 675329924 /nfs/dbraw/zinc/32/99/24/675329924.db2.gz ZBJWNULZTRYQHP-INIZCTEOSA-N 1 0 361.423 2.150 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000567862013 675330249 /nfs/dbraw/zinc/33/02/49/675330249.db2.gz FFYIKBHHMBJQMU-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000567890075 675332955 /nfs/dbraw/zinc/33/29/55/675332955.db2.gz HYRROPRBFIBIES-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000822768648 675505432 /nfs/dbraw/zinc/50/54/32/675505432.db2.gz XGTMUSFFDFPPOM-SNVBAGLBSA-N 1 0 366.805 2.173 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822931080 675517211 /nfs/dbraw/zinc/51/72/11/675517211.db2.gz KAHDUAYQDCABBR-CHWSQXEVSA-N 1 0 369.849 2.094 20 5 FEBDRO CCOC(=O)Cc1ccc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000825876497 675672207 /nfs/dbraw/zinc/67/22/07/675672207.db2.gz HCJNGJXZAMXWRN-JKSUJKDBSA-N 1 0 367.471 2.182 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000827494107 675760208 /nfs/dbraw/zinc/76/02/08/675760208.db2.gz DWAZMICRFZRMEA-AWEZNQCLSA-N 1 0 351.378 2.107 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827500441 675760764 /nfs/dbraw/zinc/76/07/64/675760764.db2.gz APCVJWFLFNVMQN-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCCC[NH+]2CCCCC2)n1 ZINC000603421670 675799163 /nfs/dbraw/zinc/79/91/63/675799163.db2.gz AKKRORUJPRIXGJ-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000828512535 675826554 /nfs/dbraw/zinc/82/65/54/675826554.db2.gz WBOBMOGXXPENEV-KWQFWETISA-N 1 0 356.785 2.136 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000616071358 676238342 /nfs/dbraw/zinc/23/83/42/676238342.db2.gz YPUWUCFFVYWABN-LBPRGKRZSA-N 1 0 361.489 2.445 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000830618775 677051228 /nfs/dbraw/zinc/05/12/28/677051228.db2.gz KUDLIANHIIQECK-UHFFFAOYSA-N 1 0 368.821 2.421 20 5 FEBDRO CON1CCC([N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000839131963 680740318 /nfs/dbraw/zinc/74/03/18/680740318.db2.gz SBBJTFULNIUNDQ-UHFFFAOYSA-N 1 0 356.810 2.144 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000839175621 680743006 /nfs/dbraw/zinc/74/30/06/680743006.db2.gz XCJZVHGKWRIUAD-INIZCTEOSA-N 1 0 350.415 2.409 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839497500 680757095 /nfs/dbraw/zinc/75/70/95/680757095.db2.gz ZCLDRGPPNNQQRP-QWRGUYRKSA-N 1 0 368.821 2.176 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839581966 680763682 /nfs/dbraw/zinc/76/36/82/680763682.db2.gz WABGJOAAINTCCH-WDEREUQCSA-N 1 0 356.220 2.362 20 5 FEBDRO C[N@H+](C[C@@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653683 680769306 /nfs/dbraw/zinc/76/93/06/680769306.db2.gz BZKKIOBWAWVGFN-IINYFYTJSA-N 1 0 365.327 2.382 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000765799396 680855849 /nfs/dbraw/zinc/85/58/49/680855849.db2.gz WWJVGORZRAKECV-JOYOIKCWSA-N 1 0 356.220 2.362 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000748844300 679999958 /nfs/dbraw/zinc/99/99/58/679999958.db2.gz QJQJEDCDEGTSAL-GFCCVEGCSA-N 1 0 350.375 2.272 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000831551167 680002223 /nfs/dbraw/zinc/00/22/23/680002223.db2.gz YSMDZNSZCUGQFX-UHFFFAOYSA-N 1 0 366.805 2.198 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000831724339 680032840 /nfs/dbraw/zinc/03/28/40/680032840.db2.gz VDDCZGYEEXOFJP-ZIBATOQPSA-N 1 0 352.822 2.211 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752255553 680232391 /nfs/dbraw/zinc/23/23/91/680232391.db2.gz RJAAJVHLIFFLJF-QWRGUYRKSA-N 1 0 361.851 2.318 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000834648459 680253023 /nfs/dbraw/zinc/25/30/23/680253023.db2.gz VFHFSBGXIJRNRX-DGCLKSJQSA-N 1 0 350.375 2.319 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774232 680666807 /nfs/dbraw/zinc/66/68/07/680666807.db2.gz KTJNMWUPQMFYKF-AAEUAGOBSA-N 1 0 373.450 2.441 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000838150782 680676043 /nfs/dbraw/zinc/67/60/43/680676043.db2.gz YGXPIUAIMJBGPC-GFCCVEGCSA-N 1 0 352.410 2.262 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000842748977 680963959 /nfs/dbraw/zinc/96/39/59/680963959.db2.gz WDWQOCKFVCDIRC-LLVKDONJSA-N 1 0 359.835 2.072 20 5 FEBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843101332 680987797 /nfs/dbraw/zinc/98/77/97/680987797.db2.gz NWBVIZVQZYXFHA-VNHYZAJKSA-N 1 0 350.371 2.029 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)c1 ZINC000843115193 680988637 /nfs/dbraw/zinc/98/86/37/680988637.db2.gz RPRKXHMZIWKUHV-YVEFUNNKSA-N 1 0 365.817 2.117 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843386201 681000807 /nfs/dbraw/zinc/00/08/07/681000807.db2.gz JMQGMODPKAQOAP-JTNHKYCSSA-N 1 0 352.822 2.259 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000932617115 681273204 /nfs/dbraw/zinc/27/32/04/681273204.db2.gz HGBZAWGUDQZIDL-UHFFFAOYSA-N 1 0 357.863 2.346 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484428 681395798 /nfs/dbraw/zinc/39/57/98/681395798.db2.gz HVLZMFQWVAZLIF-RIEGTJTDSA-N 1 0 371.821 2.359 20 5 FEBDRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000933392516 681403488 /nfs/dbraw/zinc/40/34/88/681403488.db2.gz LWEMZHILXUMKFQ-MGPLVRAMSA-N 1 0 351.790 2.488 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466081 681417217 /nfs/dbraw/zinc/41/72/17/681417217.db2.gz YDZOURGBNZZTGN-ZDUSSCGKSA-N 1 0 353.423 2.041 20 5 FEBDRO C[C@H](COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000847958763 681455668 /nfs/dbraw/zinc/45/56/68/681455668.db2.gz AWRUSDHUXAMQCP-GFCCVEGCSA-N 1 0 350.371 2.397 20 5 FEBDRO CSC[C@H](C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042976 681500358 /nfs/dbraw/zinc/50/03/58/681500358.db2.gz ZTICILRGTUSWTA-LBPRGKRZSA-N 1 0 367.475 2.220 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000777977227 681551108 /nfs/dbraw/zinc/55/11/08/681551108.db2.gz ICRKKQGKHILCPB-ZDUSSCGKSA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000934497340 681580161 /nfs/dbraw/zinc/58/01/61/681580161.db2.gz UNIPNBILUNOCSJ-CQSZACIVSA-N 1 0 369.219 2.051 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848591087 681585627 /nfs/dbraw/zinc/58/56/27/681585627.db2.gz JSLLZEUPJVYXEF-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000848601487 681588536 /nfs/dbraw/zinc/58/85/36/681588536.db2.gz YVNAXKLJFNCZFC-UHFFFAOYSA-N 1 0 352.822 2.390 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000912873788 685463044 /nfs/dbraw/zinc/46/30/44/685463044.db2.gz UYNKOWMMBGTXGH-UHFFFAOYSA-N 1 0 350.394 2.110 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912916044 685466664 /nfs/dbraw/zinc/46/66/64/685466664.db2.gz SRCFNVJODVOJOG-ZDUSSCGKSA-N 1 0 368.231 2.206 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913678098 685481867 /nfs/dbraw/zinc/48/18/67/685481867.db2.gz RHSVYOWKHMTEKU-UHFFFAOYSA-N 1 0 355.822 2.085 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC23CC[NH+](CC2)C3)cc1[N+](=O)[O-] ZINC000913630901 685481014 /nfs/dbraw/zinc/48/10/14/685481014.db2.gz FRTVMWGXYGCGQX-UHFFFAOYSA-N 1 0 354.204 2.244 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000780868639 681880094 /nfs/dbraw/zinc/88/00/94/681880094.db2.gz XXEVBCUQXNFUIT-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000850348438 681888851 /nfs/dbraw/zinc/88/88/51/681888851.db2.gz MCYQOSHQFXCSFZ-HSZRJFAPSA-N 1 0 354.350 2.394 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000850455127 681904046 /nfs/dbraw/zinc/90/40/46/681904046.db2.gz VYPSTVRSFLRDSM-GXTWGEPZSA-N 1 0 352.387 2.176 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000781651822 681957952 /nfs/dbraw/zinc/95/79/52/681957952.db2.gz YJQLQMVFHWMBGX-DGCLKSJQSA-N 1 0 350.375 2.035 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c1 ZINC000914241196 685500437 /nfs/dbraw/zinc/50/04/37/685500437.db2.gz FWSJEYYUJFLFDP-HNNXBMFYSA-N 1 0 373.862 2.154 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784820581 682254584 /nfs/dbraw/zinc/25/45/84/682254584.db2.gz BARLOXBHVSSGTP-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000918468359 685539338 /nfs/dbraw/zinc/53/93/38/685539338.db2.gz QNDUVTYXYVJTFE-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000854651563 682575349 /nfs/dbraw/zinc/57/53/49/682575349.db2.gz DTVBKODMHDPHST-AAEUAGOBSA-N 1 0 350.375 2.284 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790871733 682708945 /nfs/dbraw/zinc/70/89/45/682708945.db2.gz BTZSOZRMGHYUPR-UHFFFAOYSA-N 1 0 373.812 2.157 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)c1cccc(Br)c1[N+](=O)[O-] ZINC000856729629 682799843 /nfs/dbraw/zinc/79/98/43/682799843.db2.gz ODPIAVCZIFAZTC-UHFFFAOYSA-N 1 0 371.279 2.431 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000857765888 682910792 /nfs/dbraw/zinc/91/07/92/682910792.db2.gz LMUZYNDLWLPIJI-LEWSCRJBSA-N 1 0 355.341 2.152 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793930432 682918685 /nfs/dbraw/zinc/91/86/85/682918685.db2.gz XRAAZKPVCSNIGB-OLZOCXBDSA-N 1 0 367.833 2.427 20 5 FEBDRO CC(C)([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000795221064 683030273 /nfs/dbraw/zinc/03/02/73/683030273.db2.gz UWGWXTQYWPBDCZ-UHFFFAOYSA-N 1 0 363.439 2.310 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1F ZINC000859348168 683090007 /nfs/dbraw/zinc/09/00/07/683090007.db2.gz YATSVUFGDGRUDR-ZDUSSCGKSA-N 1 0 371.434 2.338 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795827865 683095658 /nfs/dbraw/zinc/09/56/58/683095658.db2.gz DGVOZWYLOMSBGK-VIFPVBQESA-N 1 0 365.814 2.007 20 5 FEBDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553016 683170612 /nfs/dbraw/zinc/17/06/12/683170612.db2.gz NOCXTSOKOXWBKH-HOTGVXAUSA-N 1 0 351.403 2.181 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000861608195 683443691 /nfs/dbraw/zinc/44/36/91/683443691.db2.gz LLPZZTMYICXJLE-IYBDPMFKSA-N 1 0 352.822 2.389 20 5 FEBDRO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000928438446 683451504 /nfs/dbraw/zinc/45/15/04/683451504.db2.gz JXLISZQOJFBOOE-GMSGAONNSA-N 1 0 360.183 2.319 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862484956 683594923 /nfs/dbraw/zinc/59/49/23/683594923.db2.gz DMMNITAPWXMDOJ-CHWSQXEVSA-N 1 0 361.851 2.198 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922864229 683794845 /nfs/dbraw/zinc/79/48/45/683794845.db2.gz CMFYCSSRUDZUDE-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865124731 683939091 /nfs/dbraw/zinc/93/90/91/683939091.db2.gz DSFMXYQARRDPKC-GFCCVEGCSA-N 1 0 370.247 2.452 20 5 FEBDRO O=[N+]([O-])c1cc(CO)c(NCC2([NH+]3CCCC3)CCOCC2)cc1F ZINC000865509796 683991195 /nfs/dbraw/zinc/99/11/95/683991195.db2.gz FIAKJEMTKQNYND-UHFFFAOYSA-N 1 0 353.394 2.283 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865619520 684005822 /nfs/dbraw/zinc/00/58/22/684005822.db2.gz IWAWMABUZIRKQW-UHFFFAOYSA-N 1 0 370.247 2.454 20 5 FEBDRO CC(C)(O)C[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000865655945 684010831 /nfs/dbraw/zinc/01/08/31/684010831.db2.gz PLAMBBLUCGADLU-LBPRGKRZSA-N 1 0 359.373 2.131 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866073316 684068696 /nfs/dbraw/zinc/06/86/96/684068696.db2.gz OJVHSVQZXVUEDA-JQWIXIFHSA-N 1 0 370.247 2.499 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866073317 684068705 /nfs/dbraw/zinc/06/87/05/684068705.db2.gz OJVHSVQZXVUEDA-PWSUYJOCSA-N 1 0 370.247 2.499 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866820329 684160840 /nfs/dbraw/zinc/16/08/40/684160840.db2.gz QBHTWWRANCJMIP-CMPLNLGQSA-N 1 0 359.835 2.011 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866892019 684175603 /nfs/dbraw/zinc/17/56/03/684175603.db2.gz AMHMNAXZPYHIHI-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000931311766 684259698 /nfs/dbraw/zinc/25/96/98/684259698.db2.gz SKWBHEKPMLPTIE-IRXDYDNUSA-N 1 0 366.849 2.460 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000872232412 684929847 /nfs/dbraw/zinc/92/98/47/684929847.db2.gz YVMUFUXRZJVNNP-YOEHRIQHSA-N 1 0 368.455 2.021 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872661845 684999176 /nfs/dbraw/zinc/99/91/76/684999176.db2.gz DEKDQFXSGYSFBU-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666117 685001523 /nfs/dbraw/zinc/00/15/23/685001523.db2.gz WSBKDGGHWILUND-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000877331867 686355640 /nfs/dbraw/zinc/35/56/40/686355640.db2.gz RSIDZYFKRWMABR-LLVKDONJSA-N 1 0 353.806 2.137 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000877375928 686368296 /nfs/dbraw/zinc/36/82/96/686368296.db2.gz JDAQODJXSLXWGI-YVEFUNNKSA-N 1 0 358.423 2.400 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877740128 686447916 /nfs/dbraw/zinc/44/79/16/686447916.db2.gz VBNKRGVPXDOVQF-ZIAGYGMSSA-N 1 0 366.439 2.332 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879322722 686795660 /nfs/dbraw/zinc/79/56/60/686795660.db2.gz VJRJKDTXQULJGS-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879575508 686860396 /nfs/dbraw/zinc/86/03/96/686860396.db2.gz LCHOTKKFNVWXCM-RISCZKNCSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879575506 686860559 /nfs/dbraw/zinc/86/05/59/686860559.db2.gz LCHOTKKFNVWXCM-BXUZGUMPSA-N 1 0 352.822 2.213 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478337 687642874 /nfs/dbraw/zinc/64/28/74/687642874.db2.gz DJGYCEIKCDGLRT-UHFFFAOYSA-N 1 0 359.835 2.155 20 5 FEBDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000884355994 687855141 /nfs/dbraw/zinc/85/51/41/687855141.db2.gz VPGCSOFTMOOZRE-NXEZZACHSA-N 1 0 360.183 2.352 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884951091 687971906 /nfs/dbraw/zinc/97/19/06/687971906.db2.gz XLWPVQBSUWOEJI-VXGBXAGGSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951472 687972402 /nfs/dbraw/zinc/97/24/02/687972402.db2.gz DZAJHFXVPBFUKW-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000895246674 689684129 /nfs/dbraw/zinc/68/41/29/689684129.db2.gz OZZMNIMGCSWMQH-YGRLFVJLSA-N 1 0 370.837 2.081 20 5 FEBDRO COc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Cl)cc1[N+](=O)[O-] ZINC000897220739 689990399 /nfs/dbraw/zinc/99/03/99/689990399.db2.gz YLPKVTJHLHDMCX-STQMWFEESA-N 1 0 355.822 2.292 20 5 FEBDRO C[NH+]1CCC(NCc2cn(-c3ccc(Cl)cc3[N+](=O)[O-])nn2)CC1 ZINC000899712314 690410682 /nfs/dbraw/zinc/41/06/82/690410682.db2.gz YWVATUWRAAYTHE-UHFFFAOYSA-N 1 0 350.810 2.013 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000900641544 690542314 /nfs/dbraw/zinc/54/23/14/690542314.db2.gz XGZUFSMBBFULJI-SNVBAGLBSA-N 1 0 366.219 2.149 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900966121 690594632 /nfs/dbraw/zinc/59/46/32/690594632.db2.gz PBTOVHDDEZHKNM-NSHDSACASA-N 1 0 371.796 2.182 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000905360461 691108752 /nfs/dbraw/zinc/10/87/52/691108752.db2.gz RASDQYDLZGOBCT-INIZCTEOSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000905565060 691141775 /nfs/dbraw/zinc/14/17/75/691141775.db2.gz GBXILFHMJGQTBL-LBPRGKRZSA-N 1 0 363.439 2.460 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000905640285 691155189 /nfs/dbraw/zinc/15/51/89/691155189.db2.gz JUKCFBOLJGXLOZ-MRXNPFEDSA-N 1 0 352.431 2.377 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906572605 691285529 /nfs/dbraw/zinc/28/55/29/691285529.db2.gz JYBFTPNQKSIYGB-HNNXBMFYSA-N 1 0 369.849 2.408 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000907519627 691508252 /nfs/dbraw/zinc/50/82/52/691508252.db2.gz QRTWBIGFMCIOSB-QWHCGFSZSA-N 1 0 369.849 2.094 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCC[N@H+]1CCO ZINC000908539718 691695604 /nfs/dbraw/zinc/69/56/04/691695604.db2.gz BGXKPQDCVWIOOY-OAHLLOKOSA-N 1 0 369.849 2.144 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000910280329 691910674 /nfs/dbraw/zinc/91/06/74/691910674.db2.gz QLLXRFKCEOJDBY-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCO[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001164401438 718862124 /nfs/dbraw/zinc/86/21/24/718862124.db2.gz DRVAGNHONRVPCQ-SKDRFNHKSA-N 1 0 362.764 2.003 20 5 FEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000485411765 719481761 /nfs/dbraw/zinc/48/17/61/719481761.db2.gz LOSGJIKHLAIZER-HOTGVXAUSA-N 1 0 358.373 2.315 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813101 720072817 /nfs/dbraw/zinc/07/28/17/720072817.db2.gz SMSVRQULBPSWCP-APWZRJJASA-N 1 0 360.458 2.483 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901678 721511872 /nfs/dbraw/zinc/51/18/72/721511872.db2.gz XYBFFZRJSFCJBX-RDJZCZTQSA-N 1 0 358.373 2.471 20 5 FEBDRO Nc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906330 721540105 /nfs/dbraw/zinc/54/01/05/721540105.db2.gz JVLKKUYLCDOHHS-HIFRSBDPSA-N 1 0 373.388 2.053 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926051 721875853 /nfs/dbraw/zinc/87/58/53/721875853.db2.gz QOUADRJXVAWUQK-MSOLQXFVSA-N 1 0 355.442 2.358 20 5 FEBDRO COCC[N@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000505564712 815835563 /nfs/dbraw/zinc/83/55/63/815835563.db2.gz PKWMDCUVIAFWIA-AWEZNQCLSA-N 1 0 360.418 2.089 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000800309295 674040551 /nfs/dbraw/zinc/04/05/51/674040551.db2.gz KLDRYRZFXNPBDR-GWCFXTLKSA-N 1 0 361.851 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000026262655 539782195 /nfs/dbraw/zinc/78/21/95/539782195.db2.gz BQBBRNJOCDPWHA-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000032440944 539939385 /nfs/dbraw/zinc/93/93/85/539939385.db2.gz YFXKMVVJWSVZLN-KGLIPLIRSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000041277486 540016043 /nfs/dbraw/zinc/01/60/43/540016043.db2.gz QRDGITKBGREJFN-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041423012 540020185 /nfs/dbraw/zinc/02/01/85/540020185.db2.gz ISOJARDZAOEGAZ-CYBMUJFWSA-N 1 0 355.460 2.160 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052960328 540503123 /nfs/dbraw/zinc/50/31/23/540503123.db2.gz QGDXHRZSXFJWQY-UHFFFAOYSA-N 1 0 371.441 2.409 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000057677184 540807350 /nfs/dbraw/zinc/80/73/50/540807350.db2.gz DHNVEQVCDRGABK-UHFFFAOYSA-N 1 0 369.425 2.062 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000057713888 540811078 /nfs/dbraw/zinc/81/10/78/540811078.db2.gz GZKNPMOORPRTFD-VIFPVBQESA-N 1 0 373.356 2.417 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000058858457 540857375 /nfs/dbraw/zinc/85/73/75/540857375.db2.gz IYTSAMONEQRRCA-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000061781972 541139388 /nfs/dbraw/zinc/13/93/88/541139388.db2.gz MAPWXDBETNHFDH-KRWDZBQOSA-N 1 0 370.409 2.261 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000063724819 541181857 /nfs/dbraw/zinc/18/18/57/541181857.db2.gz UHSGRZLLWMTFFQ-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO CC[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000064336344 541201248 /nfs/dbraw/zinc/20/12/48/541201248.db2.gz VETVPSIXMUFRPM-OAHLLOKOSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000065841395 541265197 /nfs/dbraw/zinc/26/51/97/541265197.db2.gz KBXUKRTXDRYXHU-ZDUSSCGKSA-N 1 0 363.443 2.115 20 5 FEBDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066535697 541333700 /nfs/dbraw/zinc/33/37/00/541333700.db2.gz YGOMAYCRFXENGD-QGZVFWFLSA-N 1 0 358.442 2.044 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCC(C)CC1 ZINC000067272018 541439417 /nfs/dbraw/zinc/43/94/17/541439417.db2.gz ARZROGWUBVLZGS-ZDUSSCGKSA-N 1 0 363.414 2.216 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247389134 549327636 /nfs/dbraw/zinc/32/76/36/549327636.db2.gz LYIQJZLGPAWCBA-DZGCQCFKSA-N 1 0 365.430 2.171 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067764191 541510292 /nfs/dbraw/zinc/51/02/92/541510292.db2.gz HAXIPLPWAOWZGI-CYBMUJFWSA-N 1 0 362.430 2.078 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000068180215 541558438 /nfs/dbraw/zinc/55/84/38/541558438.db2.gz UBWFVWRYDOSVKV-MRXNPFEDSA-N 1 0 359.430 2.299 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000068902914 541639547 /nfs/dbraw/zinc/63/95/47/541639547.db2.gz IJUAGDUHUSBXBY-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000069083226 541654932 /nfs/dbraw/zinc/65/49/32/541654932.db2.gz JOCYIZDETYBUQE-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000072810513 541870563 /nfs/dbraw/zinc/87/05/63/541870563.db2.gz QFVROIGVUOQNTJ-HOTGVXAUSA-N 1 0 363.462 2.294 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898628 541891053 /nfs/dbraw/zinc/89/10/53/541891053.db2.gz DSVAJUXHPYZNFT-UHFFFAOYSA-N 1 0 361.398 2.395 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000109213581 206050339 /nfs/dbraw/zinc/05/03/39/206050339.db2.gz DKYXNVNXXBLMNZ-OAHLLOKOSA-N 1 0 353.444 2.152 20 5 FEBDRO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000073796211 542001331 /nfs/dbraw/zinc/00/13/31/542001331.db2.gz VXTCUECGLUSXME-HNNXBMFYSA-N 1 0 361.446 2.123 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[NH+](C(C)C)C(C)C)c(C)c1[N+](=O)[O-] ZINC000074331092 542070876 /nfs/dbraw/zinc/07/08/76/542070876.db2.gz YVTZENZPPNLQBG-UHFFFAOYSA-N 1 0 353.467 2.423 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772708 542120124 /nfs/dbraw/zinc/12/01/24/542120124.db2.gz WNKZGHAFEFCLTR-CQSZACIVSA-N 1 0 362.430 2.335 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000076367858 542267737 /nfs/dbraw/zinc/26/77/37/542267737.db2.gz WUQPLTCCWYUYSF-OLZOCXBDSA-N 1 0 363.414 2.216 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481592 542284195 /nfs/dbraw/zinc/28/41/95/542284195.db2.gz JCDVZTMNAMLABX-IAQYHMDHSA-N 1 0 350.375 2.305 20 5 FEBDRO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000079197895 542506424 /nfs/dbraw/zinc/50/64/24/542506424.db2.gz UTQMDNJISSWONE-HNNXBMFYSA-N 1 0 356.444 2.263 20 5 FEBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000089580615 542764988 /nfs/dbraw/zinc/76/49/88/542764988.db2.gz ZWGZDFCENHHKIJ-ZDUSSCGKSA-N 1 0 354.370 2.300 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089961939 542778250 /nfs/dbraw/zinc/77/82/50/542778250.db2.gz WPNLFAFDOPXAGE-ZWKOTPCHSA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962531 542779870 /nfs/dbraw/zinc/77/98/70/542779870.db2.gz ZECJZEZROZWMNX-SJORKVTESA-N 1 0 369.421 2.268 20 5 FEBDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093311103 542925145 /nfs/dbraw/zinc/92/51/45/542925145.db2.gz WSEDZILTYGJMES-AWEZNQCLSA-N 1 0 357.410 2.467 20 5 FEBDRO CCOc1cc(C(=O)N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000103119082 543093371 /nfs/dbraw/zinc/09/33/71/543093371.db2.gz WVYQKNKDBPTLQE-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000104516182 543133242 /nfs/dbraw/zinc/13/32/42/543133242.db2.gz HWECQTFHGPHXAJ-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000107262612 543264501 /nfs/dbraw/zinc/26/45/01/543264501.db2.gz NMJBMJIHGQLHPS-UHFFFAOYSA-N 1 0 358.398 2.202 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305952 543483818 /nfs/dbraw/zinc/48/38/18/543483818.db2.gz KVCFPHXOYOYIDN-SWLSCSKDSA-N 1 0 353.444 2.014 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000114376414 543512041 /nfs/dbraw/zinc/51/20/41/543512041.db2.gz PHZMNWBQRVUNMV-MRXNPFEDSA-N 1 0 359.430 2.487 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000115436532 543566819 /nfs/dbraw/zinc/56/68/19/543566819.db2.gz JSBUWHLBLBERML-CYBMUJFWSA-N 1 0 363.414 2.185 20 5 FEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000116067815 543597050 /nfs/dbraw/zinc/59/70/50/543597050.db2.gz JWNYQATYJDDPNZ-CQSZACIVSA-N 1 0 357.414 2.133 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000124133270 543802592 /nfs/dbraw/zinc/80/25/92/543802592.db2.gz FBTZAMDFRPWDGD-UHFFFAOYSA-N 1 0 359.382 2.171 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000125575966 543889963 /nfs/dbraw/zinc/88/99/63/543889963.db2.gz PCVDOYUCAHBFPL-NSHDSACASA-N 1 0 350.394 2.405 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000126758236 543955268 /nfs/dbraw/zinc/95/52/68/543955268.db2.gz MDROMBYNUCTDPU-UHFFFAOYSA-N 1 0 359.430 2.409 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@@H+]1C1CC1 ZINC000127614894 544003589 /nfs/dbraw/zinc/00/35/89/544003589.db2.gz LWTVYKQKGABEPT-LSDHHAIUSA-N 1 0 373.457 2.052 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128649446 544065110 /nfs/dbraw/zinc/06/51/10/544065110.db2.gz RXHPZDYJRFUQQV-IAGOWNOFSA-N 1 0 369.425 2.454 20 5 FEBDRO CC(C)C[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000128466633 544054432 /nfs/dbraw/zinc/05/44/32/544054432.db2.gz OCFNWFBTJOOFQH-ZDUSSCGKSA-N 1 0 372.491 2.281 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131678927 544201312 /nfs/dbraw/zinc/20/13/12/544201312.db2.gz HTIDBMSTEUPPFU-CYBMUJFWSA-N 1 0 355.822 2.215 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000137055908 544383930 /nfs/dbraw/zinc/38/39/30/544383930.db2.gz FRMUDUOCDKNRQB-GOEBONIOSA-N 1 0 357.414 2.046 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1cnc2ccccc21 ZINC000145985434 544436450 /nfs/dbraw/zinc/43/64/50/544436450.db2.gz DBJHOJAPQZYFMB-OAHLLOKOSA-N 1 0 370.409 2.364 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000150927656 544487451 /nfs/dbraw/zinc/48/74/51/544487451.db2.gz UVNYQATVNFVIEU-HUUCEWRRSA-N 1 0 371.441 2.064 20 5 FEBDRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247516488 549349110 /nfs/dbraw/zinc/34/91/10/549349110.db2.gz ZMAWSPILFPVGSO-LJISPDSOSA-N 1 0 361.446 2.264 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151648541 544566268 /nfs/dbraw/zinc/56/62/68/544566268.db2.gz VYAIIQFKHWGGMM-GFCCVEGCSA-N 1 0 373.862 2.355 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151834821 544586658 /nfs/dbraw/zinc/58/66/58/544586658.db2.gz ZKUIOMFKZSPFNZ-GOEBONIOSA-N 1 0 359.382 2.375 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1(O)CCCC1 ZINC000152458811 544656849 /nfs/dbraw/zinc/65/68/49/544656849.db2.gz DEHXSPOTDSVTHF-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO CS(=O)(=O)N1CCC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153265654 544754127 /nfs/dbraw/zinc/75/41/27/544754127.db2.gz UUJMJNBWPIVHSY-OAHLLOKOSA-N 1 0 367.471 2.231 20 5 FEBDRO C[C@@H](Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])C1CCC1 ZINC000153159430 544740486 /nfs/dbraw/zinc/74/04/86/544740486.db2.gz BPTIONKFUXAZTK-GFCCVEGCSA-N 1 0 370.475 2.035 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154966131 544971463 /nfs/dbraw/zinc/97/14/63/544971463.db2.gz JFENZHMZAPTTKF-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180046583 327668988 /nfs/dbraw/zinc/66/89/88/327668988.db2.gz ZNSHPCGQMLUPFR-MRXNPFEDSA-N 1 0 369.487 2.131 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000181828224 327748488 /nfs/dbraw/zinc/74/84/88/327748488.db2.gz HCQLOCOVGUKTHT-KGLIPLIRSA-N 1 0 355.460 2.225 20 5 FEBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064078 327759215 /nfs/dbraw/zinc/75/92/15/327759215.db2.gz HDQPMJDLCMVUGR-WBMJQRKESA-N 1 0 362.430 2.336 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182820876 327790205 /nfs/dbraw/zinc/79/02/05/327790205.db2.gz AUIQLSCJKODKLO-WDEREUQCSA-N 1 0 368.821 2.176 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183726840 327832728 /nfs/dbraw/zinc/83/27/28/327832728.db2.gz GRYXCCOCTHESDR-JKSUJKDBSA-N 1 0 352.431 2.255 20 5 FEBDRO COc1cc(CN2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184228893 327857290 /nfs/dbraw/zinc/85/72/90/327857290.db2.gz NRQVOFGTASNEFI-UHFFFAOYSA-N 1 0 353.394 2.039 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186769901 327981529 /nfs/dbraw/zinc/98/15/29/327981529.db2.gz MUTNFPZMHKLEDJ-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189023625 328124034 /nfs/dbraw/zinc/12/40/34/328124034.db2.gz SJVVCBUPKKLBBR-UHFFFAOYSA-N 1 0 362.474 2.476 20 5 FEBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000189957845 328178805 /nfs/dbraw/zinc/17/88/05/328178805.db2.gz KWWFZDHTBTYJFE-GFCCVEGCSA-N 1 0 355.410 2.020 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000190031800 328183669 /nfs/dbraw/zinc/18/36/69/328183669.db2.gz IGFPTTCVZNUTSG-ZDUSSCGKSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000190077892 328186210 /nfs/dbraw/zinc/18/62/10/328186210.db2.gz DGXUFSHFSXETKN-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)[C@H](C)[NH3+] ZINC000192038010 328295934 /nfs/dbraw/zinc/29/59/34/328295934.db2.gz FVFPSAFJVIUOJH-MNOVXSKESA-N 1 0 374.363 2.246 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192569584 328326526 /nfs/dbraw/zinc/32/65/26/328326526.db2.gz PMAPTQZSAAQUEM-UHFFFAOYSA-N 1 0 355.398 2.297 20 5 FEBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135908 328359255 /nfs/dbraw/zinc/35/92/55/328359255.db2.gz IFQJQQKXEUCPNR-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000193294770 328367403 /nfs/dbraw/zinc/36/74/03/328367403.db2.gz SMJLGCIAXQWWCT-UYAOXDASSA-N 1 0 372.421 2.146 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193464068 328376913 /nfs/dbraw/zinc/37/69/13/328376913.db2.gz UUZZWOCJESTNAF-UHFFFAOYSA-N 1 0 370.409 2.337 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193794191 328395524 /nfs/dbraw/zinc/39/55/24/328395524.db2.gz OAZGRSUPGNNWND-OAHLLOKOSA-N 1 0 357.414 2.063 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000194377737 328421670 /nfs/dbraw/zinc/42/16/70/328421670.db2.gz NDJCNCTYYGEIOI-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000053992467 324753338 /nfs/dbraw/zinc/75/33/38/324753338.db2.gz RAIODBRDWXNHOA-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236989258 328500580 /nfs/dbraw/zinc/50/05/80/328500580.db2.gz TZXFQTNUKFEFCW-STQMWFEESA-N 1 0 359.430 2.388 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000076665927 324959742 /nfs/dbraw/zinc/95/97/42/324959742.db2.gz HBDGBEZMVZJXTL-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO C[NH2+]CCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237378730 328514266 /nfs/dbraw/zinc/51/42/66/328514266.db2.gz XGAUSOAKIZWRBK-UHFFFAOYSA-N 1 0 374.363 2.166 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000077708022 325006676 /nfs/dbraw/zinc/00/66/76/325006676.db2.gz WVPDIRSDHOHIQJ-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000078827736 325064578 /nfs/dbraw/zinc/06/45/78/325064578.db2.gz KXSWHXYKAKCRQJ-ZDUSSCGKSA-N 1 0 372.429 2.088 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461267 325091902 /nfs/dbraw/zinc/09/19/02/325091902.db2.gz YNYISEFPSMYXRS-RHSMWYFYSA-N 1 0 360.458 2.146 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237831379 328530487 /nfs/dbraw/zinc/53/04/87/328530487.db2.gz QWCMZYDRYUFGIZ-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc([N+](=O)[O-])c1F ZINC000237868472 328531937 /nfs/dbraw/zinc/53/19/37/328531937.db2.gz OQYRCTIQUFBKLL-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO [NH3+][C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000237876346 328532705 /nfs/dbraw/zinc/53/27/05/328532705.db2.gz CJWHOPPXTVDORX-SFHVURJKSA-N 1 0 354.410 2.334 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000090015309 325351283 /nfs/dbraw/zinc/35/12/83/325351283.db2.gz WTFDKJFDJNKUFT-LBPRGKRZSA-N 1 0 353.400 2.125 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000090522706 325362185 /nfs/dbraw/zinc/36/21/85/325362185.db2.gz XLZNECSSIZNAFT-KRWDZBQOSA-N 1 0 362.474 2.200 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237898857 328533662 /nfs/dbraw/zinc/53/36/62/328533662.db2.gz XWMBDXXFKCNOLU-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673382 325389466 /nfs/dbraw/zinc/38/94/66/325389466.db2.gz IDGHCBXMQDHTHW-MNOVXSKESA-N 1 0 357.208 2.027 20 5 FEBDRO COc1cc(C(=O)N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000103452211 325518379 /nfs/dbraw/zinc/51/83/79/325518379.db2.gz JOEDTROZWNXHCT-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245525101 328555849 /nfs/dbraw/zinc/55/58/49/328555849.db2.gz OCXZLMFHEOWCFV-UPJWGTAASA-N 1 0 363.414 2.420 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116589524 326026445 /nfs/dbraw/zinc/02/64/45/326026445.db2.gz RXFCEPFLYQJVIC-OAHLLOKOSA-N 1 0 364.446 2.324 20 5 FEBDRO C[NH+]1CCC(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116743431 326031637 /nfs/dbraw/zinc/03/16/37/326031637.db2.gz XTAHWBTWVWEVDG-UHFFFAOYSA-N 1 0 355.822 2.475 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000119572255 326176659 /nfs/dbraw/zinc/17/66/59/326176659.db2.gz IJZVTLHBYYODQD-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000120062668 326226771 /nfs/dbraw/zinc/22/67/71/326226771.db2.gz SNDQVZDEWPDRRF-KBPBESRZSA-N 1 0 367.421 2.282 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000120130686 326233183 /nfs/dbraw/zinc/23/31/83/326233183.db2.gz DKOQXCJROKXMRQ-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120202798 326240554 /nfs/dbraw/zinc/24/05/54/326240554.db2.gz YEOVLKKMGHAJIU-SVGFKBNWSA-N 1 0 350.415 2.080 20 5 FEBDRO CCOC(=O)c1cc(NC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000121723564 326361604 /nfs/dbraw/zinc/36/16/04/326361604.db2.gz NRDADZJIKBGZIO-UHFFFAOYSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000126057815 326482389 /nfs/dbraw/zinc/48/23/89/326482389.db2.gz FUGMMLWXOVJBHG-TZMCWYRMSA-N 1 0 355.398 2.255 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000126764414 326494683 /nfs/dbraw/zinc/49/46/83/326494683.db2.gz IZWDEWBOYNRCIC-INIZCTEOSA-N 1 0 359.382 2.148 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000127928268 326514969 /nfs/dbraw/zinc/51/49/69/326514969.db2.gz BDLIJZMUQOIVRX-OAHLLOKOSA-N 1 0 359.430 2.450 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000134539644 326627499 /nfs/dbraw/zinc/62/74/99/326627499.db2.gz NBCBDIUOMIRILM-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000150802523 326668240 /nfs/dbraw/zinc/66/82/40/326668240.db2.gz WIPMPUJEGJEXFE-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000153128710 326724657 /nfs/dbraw/zinc/72/46/57/326724657.db2.gz PJFKOGLVGBYURA-KRWDZBQOSA-N 1 0 367.471 2.375 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157684101 326872173 /nfs/dbraw/zinc/87/21/73/326872173.db2.gz VHOSMTMUYDZYSD-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160161603 326955628 /nfs/dbraw/zinc/95/56/28/326955628.db2.gz DDHJOIQMSLVTRX-WMZOPIPTSA-N 1 0 361.442 2.401 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000160490735 326967510 /nfs/dbraw/zinc/96/75/10/326967510.db2.gz VVSVOBGYMWDSQT-QWHCGFSZSA-N 1 0 353.444 2.154 20 5 FEBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000161490636 327001074 /nfs/dbraw/zinc/00/10/74/327001074.db2.gz KASLPNYKFXXVLX-UHFFFAOYSA-N 1 0 359.220 2.331 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000162230426 327020569 /nfs/dbraw/zinc/02/05/69/327020569.db2.gz TVXFTXLEZDSSKK-HZPDHXFCSA-N 1 0 360.458 2.225 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000162804259 327035247 /nfs/dbraw/zinc/03/52/47/327035247.db2.gz GOFVKTBDBSETTC-UHFFFAOYSA-N 1 0 362.430 2.424 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163809691 327059309 /nfs/dbraw/zinc/05/93/09/327059309.db2.gz AXXLFYUBXZLUJT-INIZCTEOSA-N 1 0 369.487 2.273 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000171979974 327174012 /nfs/dbraw/zinc/17/40/12/327174012.db2.gz NSKCWMUOLNZUCJ-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000172835745 327221718 /nfs/dbraw/zinc/22/17/18/327221718.db2.gz KNRXJWXMOAMBIY-AWEZNQCLSA-N 1 0 372.429 2.122 20 5 FEBDRO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C[NH+](C)C ZINC000173048849 327232446 /nfs/dbraw/zinc/23/24/46/327232446.db2.gz RNSYFJUJNRSUEB-CYBMUJFWSA-N 1 0 359.430 2.487 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173244196 327243608 /nfs/dbraw/zinc/24/36/08/327243608.db2.gz PTMOWNADTUXOSL-GWCFXTLKSA-N 1 0 361.851 2.209 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000173259497 327244842 /nfs/dbraw/zinc/24/48/42/327244842.db2.gz YYQBTQJRTRWEFV-HIFRSBDPSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000173343847 327250939 /nfs/dbraw/zinc/25/09/39/327250939.db2.gz LTUXUJNIZPUQBF-PBHICJAKSA-N 1 0 351.472 2.453 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173634275 327272555 /nfs/dbraw/zinc/27/25/55/327272555.db2.gz OWAYEFQYTGELTG-CYBMUJFWSA-N 1 0 371.434 2.230 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000173996091 327300317 /nfs/dbraw/zinc/30/03/17/327300317.db2.gz OHBFKJXMHWWEAF-KRWDZBQOSA-N 1 0 372.425 2.199 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000174105280 327306522 /nfs/dbraw/zinc/30/65/22/327306522.db2.gz CGRIUQYNJDCLCS-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174136503 327308067 /nfs/dbraw/zinc/30/80/67/327308067.db2.gz GIHXUZMEWCOMPR-MRXNPFEDSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000174727969 327346438 /nfs/dbraw/zinc/34/64/38/327346438.db2.gz ZXKHPZDSDSFNAE-GXTWGEPZSA-N 1 0 370.356 2.495 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175024479 327368791 /nfs/dbraw/zinc/36/87/91/327368791.db2.gz NSSWNNZSMYEANQ-UHFFFAOYSA-N 1 0 371.441 2.223 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000175091028 327373545 /nfs/dbraw/zinc/37/35/45/327373545.db2.gz SYKHKSAYVYLIMI-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170673 327378026 /nfs/dbraw/zinc/37/80/26/327378026.db2.gz UGLAULVYRCYQBC-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1SC ZINC000248567559 328726373 /nfs/dbraw/zinc/72/63/73/328726373.db2.gz CAZZXQNGENWTIU-DLOVCJGASA-N 1 0 351.428 2.135 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000261751487 328816917 /nfs/dbraw/zinc/81/69/17/328816917.db2.gz UUAZICWUVZPJHF-MRXNPFEDSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000262988038 328906031 /nfs/dbraw/zinc/90/60/31/328906031.db2.gz NZTJRUNCDAYWED-UHFFFAOYSA-N 1 0 357.292 2.367 20 5 FEBDRO COc1cc(CCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000263126805 328918031 /nfs/dbraw/zinc/91/80/31/328918031.db2.gz BJENJWFLDGPKLX-FZKQIMNGSA-N 1 0 365.430 2.178 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000264238701 329003538 /nfs/dbraw/zinc/00/35/38/329003538.db2.gz MZGPGQNMRJOKLN-UHFFFAOYSA-N 1 0 371.437 2.437 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264597063 329039141 /nfs/dbraw/zinc/03/91/41/329039141.db2.gz MSSWNAUWQJGBPV-SFHVURJKSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000265093335 329090098 /nfs/dbraw/zinc/09/00/98/329090098.db2.gz OJEYKXOTKAZRTG-LBPRGKRZSA-N 1 0 364.320 2.405 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000265115807 329092467 /nfs/dbraw/zinc/09/24/67/329092467.db2.gz INMLIZHUYKRGDD-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(OC)CC1 ZINC000265204997 329101955 /nfs/dbraw/zinc/10/19/55/329101955.db2.gz KMYLVSPTLGFGIE-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265966983 329177582 /nfs/dbraw/zinc/17/75/82/329177582.db2.gz SWXTVXXXEDUJDT-ZDUSSCGKSA-N 1 0 365.430 2.462 20 5 FEBDRO CC[NH+]1CCC(N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000266077961 329188257 /nfs/dbraw/zinc/18/82/57/329188257.db2.gz DBWLVOJQPKOYAI-GFCCVEGCSA-N 1 0 350.419 2.004 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864746 329267000 /nfs/dbraw/zinc/26/70/00/329267000.db2.gz LXMMODGKLJRKJC-IUODEOHRSA-N 1 0 360.366 2.414 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000267465982 329330302 /nfs/dbraw/zinc/33/03/02/329330302.db2.gz LYEJKWYWQVVQPG-NSHDSACASA-N 1 0 354.204 2.278 20 5 FEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267947099 329370708 /nfs/dbraw/zinc/37/07/08/329370708.db2.gz USZOBLLVBCGFEI-VIFPVBQESA-N 1 0 360.183 2.320 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000269109350 329486550 /nfs/dbraw/zinc/48/65/50/329486550.db2.gz AIMQMWIJAMAYPG-IAGOWNOFSA-N 1 0 362.430 2.403 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000270648819 329618407 /nfs/dbraw/zinc/61/84/07/329618407.db2.gz LIKWDQWFXTUCDP-UEKVPHQBSA-N 1 0 354.838 2.457 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000270756777 329628834 /nfs/dbraw/zinc/62/88/34/329628834.db2.gz KVYMKFGUPRDDNB-GFCCVEGCSA-N 1 0 351.432 2.203 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000272455460 329782544 /nfs/dbraw/zinc/78/25/44/329782544.db2.gz KNJZYQIDSYQJSE-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272456064 329782780 /nfs/dbraw/zinc/78/27/80/329782780.db2.gz CSLZFPLPBXMIKS-UHFFFAOYSA-N 1 0 371.384 2.304 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccsc1 ZINC000272874882 329819813 /nfs/dbraw/zinc/81/98/13/329819813.db2.gz FCCPGKKMIHUIJF-ZDUSSCGKSA-N 1 0 370.456 2.019 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486772 329868670 /nfs/dbraw/zinc/86/86/70/329868670.db2.gz VWCSSUWENFWGTJ-JKSUJKDBSA-N 1 0 368.455 2.306 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1[NH+]1CCCC1 ZINC000274187950 329924246 /nfs/dbraw/zinc/92/42/46/329924246.db2.gz LGPDTCXCQNPUPD-HUUCEWRRSA-N 1 0 364.471 2.137 20 5 FEBDRO CS[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000275033469 330004025 /nfs/dbraw/zinc/00/40/25/330004025.db2.gz FYTFDHUECFDICN-IXDOHACOSA-N 1 0 351.472 2.140 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000275080930 330008322 /nfs/dbraw/zinc/00/83/22/330008322.db2.gz DQEDKCOYFJIEBF-UHFFFAOYSA-N 1 0 373.413 2.089 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275122250 330012665 /nfs/dbraw/zinc/01/26/65/330012665.db2.gz JXFUHDXCCMBBQZ-OIBJUYFYSA-N 1 0 360.183 2.224 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275131089 330013679 /nfs/dbraw/zinc/01/36/79/330013679.db2.gz OOGXDPHZBXPBHV-CABCVRRESA-N 1 0 353.419 2.386 20 5 FEBDRO Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C1)CCCC2 ZINC000275358041 330039129 /nfs/dbraw/zinc/03/91/29/330039129.db2.gz UZOYEWKQCCCFHR-LBPRGKRZSA-N 1 0 371.397 2.166 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000276083426 330117708 /nfs/dbraw/zinc/11/77/08/330117708.db2.gz IPLADMVZMKUTCF-UHFFFAOYSA-N 1 0 352.435 2.477 20 5 FEBDRO CC[NH+](CC)Cc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000276146157 330123515 /nfs/dbraw/zinc/12/35/15/330123515.db2.gz CEJDFFILYIPPLZ-UHFFFAOYSA-N 1 0 358.398 2.237 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000276408021 330149279 /nfs/dbraw/zinc/14/92/79/330149279.db2.gz AUKUWONRHMNJHE-INIZCTEOSA-N 1 0 355.442 2.359 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000369322338 330239156 /nfs/dbraw/zinc/23/91/56/330239156.db2.gz QTCOQADSQDYBMM-AZOIQLNYSA-N 1 0 372.425 2.282 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000369339621 330241736 /nfs/dbraw/zinc/24/17/36/330241736.db2.gz OZFCIOWHXQCKDM-DGCLKSJQSA-N 1 0 353.806 2.228 20 5 FEBDRO CCc1ccc(C(=O)Nc2ccc(=O)n(CC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000270246346 517846797 /nfs/dbraw/zinc/84/67/97/517846797.db2.gz PVFGOPJVBMZEDP-UHFFFAOYSA-N 1 0 358.398 2.133 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)nn1 ZINC000184760643 518028753 /nfs/dbraw/zinc/02/87/53/518028753.db2.gz POADJDWNFJZZEI-UHFFFAOYSA-N 1 0 359.386 2.118 20 5 FEBDRO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155558322 545542891 /nfs/dbraw/zinc/54/28/91/545542891.db2.gz WQNOSBBYCKWWMC-QWRGUYRKSA-N 1 0 370.247 2.451 20 5 FEBDRO Cc1ccc([C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158842266 545900130 /nfs/dbraw/zinc/90/01/30/545900130.db2.gz JSYZJGLNLKXWIR-YJBOKZPZSA-N 1 0 362.382 2.309 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000159112330 545923278 /nfs/dbraw/zinc/92/32/78/545923278.db2.gz OMDOQKXYADVFIP-UHFFFAOYSA-N 1 0 369.377 2.202 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000478568661 561169753 /nfs/dbraw/zinc/16/97/53/561169753.db2.gz XKOBTQQEWQWGMW-UONOGXRCSA-N 1 0 372.429 2.168 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160528634 546049369 /nfs/dbraw/zinc/04/93/69/546049369.db2.gz KJTBGCOZNAFALE-MYQPPDNISA-N 1 0 373.453 2.492 20 5 FEBDRO CCC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000161217926 546110176 /nfs/dbraw/zinc/11/01/76/546110176.db2.gz UNZJWZBJXUWGRC-QGZVFWFLSA-N 1 0 364.446 2.237 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000176205633 546419368 /nfs/dbraw/zinc/41/93/68/546419368.db2.gz MGPIEJQHLAOPBM-INIZCTEOSA-N 1 0 372.429 2.468 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC1CCOCC1 ZINC000176426587 546444643 /nfs/dbraw/zinc/44/46/43/546444643.db2.gz CSECOAAPDOEHPV-KRWDZBQOSA-N 1 0 352.431 2.362 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816225 546492744 /nfs/dbraw/zinc/49/27/44/546492744.db2.gz DUFCNZMJHLCCBR-JSGCOSHPSA-N 1 0 357.414 2.273 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000176872836 546499112 /nfs/dbraw/zinc/49/91/12/546499112.db2.gz UUDKYDGNMVDGJE-HNNXBMFYSA-N 1 0 363.462 2.284 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000176880758 546500208 /nfs/dbraw/zinc/50/02/08/546500208.db2.gz RGDVVXOHPDLVIC-CQSZACIVSA-N 1 0 357.838 2.264 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000176891899 546501755 /nfs/dbraw/zinc/50/17/55/546501755.db2.gz GLZRNCTWRXNMRI-CYBMUJFWSA-N 1 0 355.460 2.403 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177470107 546626415 /nfs/dbraw/zinc/62/64/15/546626415.db2.gz BZEZOLJWYXMAQF-ZIAGYGMSSA-N 1 0 372.429 2.087 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000177500766 546631214 /nfs/dbraw/zinc/63/12/14/546631214.db2.gz QXFXIFBWGFZZAQ-ZIAGYGMSSA-N 1 0 357.414 2.383 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[NH+]2CCCCC2)c(Br)c1 ZINC000177543977 546641994 /nfs/dbraw/zinc/64/19/94/546641994.db2.gz CZOPHKFPBGIPFE-LLVKDONJSA-N 1 0 359.224 2.011 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178629630 546822913 /nfs/dbraw/zinc/82/29/13/546822913.db2.gz KZERZRSALOWNQK-WCQYABFASA-N 1 0 352.822 2.355 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931107 546875888 /nfs/dbraw/zinc/87/58/88/546875888.db2.gz RSSBJORQGUUILE-KRWDZBQOSA-N 1 0 350.438 2.336 20 5 FEBDRO O=C(NCCCCC[NH+]1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000482509117 561255293 /nfs/dbraw/zinc/25/52/93/561255293.db2.gz UMEFDGQJQYSUKC-UHFFFAOYSA-N 1 0 366.393 2.055 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000180455179 547110672 /nfs/dbraw/zinc/11/06/72/547110672.db2.gz VIWHBLIUBIFZIV-ZDUSSCGKSA-N 1 0 363.414 2.047 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000180480903 547115982 /nfs/dbraw/zinc/11/59/82/547115982.db2.gz JOAMCCYRVLXVJH-LJQANCHMSA-N 1 0 369.421 2.482 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000180727034 547166460 /nfs/dbraw/zinc/16/64/60/547166460.db2.gz HVYARAINNRZLCF-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919192 547405277 /nfs/dbraw/zinc/40/52/77/547405277.db2.gz KXDUBAKFJJSARM-CVEARBPZSA-N 1 0 351.447 2.141 20 5 FEBDRO CC(C)CCO[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181976401 547416244 /nfs/dbraw/zinc/41/62/44/547416244.db2.gz JXOZPOXZTYBMBG-HOTGVXAUSA-N 1 0 352.431 2.472 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000182162303 547446253 /nfs/dbraw/zinc/44/62/53/547446253.db2.gz OMUWCXVGUNCWGI-CYBMUJFWSA-N 1 0 362.430 2.222 20 5 FEBDRO CC(C)(C)CC[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220021 547456085 /nfs/dbraw/zinc/45/60/85/547456085.db2.gz GEWSQCBATVBLSR-INIZCTEOSA-N 1 0 365.474 2.388 20 5 FEBDRO CCC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000182500251 547504300 /nfs/dbraw/zinc/50/43/00/547504300.db2.gz GAEJXGWVYJCBGA-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO CN1CCN([C@@H]2CCCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909894 547570419 /nfs/dbraw/zinc/57/04/19/547570419.db2.gz FRFROMJPJXADKD-GOSISDBHSA-N 1 0 362.474 2.076 20 5 FEBDRO CCCCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000183054674 547593520 /nfs/dbraw/zinc/59/35/20/547593520.db2.gz HGCVBAIHHROKIP-UHFFFAOYSA-N 1 0 350.419 2.209 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183459567 547664325 /nfs/dbraw/zinc/66/43/25/547664325.db2.gz FAADADJSJVLLFB-WDEREUQCSA-N 1 0 361.402 2.323 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000183573374 547683123 /nfs/dbraw/zinc/68/31/23/547683123.db2.gz HPLSUXYIBAPODK-OAHLLOKOSA-N 1 0 369.487 2.177 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000184302068 547802954 /nfs/dbraw/zinc/80/29/54/547802954.db2.gz XQBVLPZUTHWRNZ-UHFFFAOYSA-N 1 0 355.398 2.463 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184353544 547812503 /nfs/dbraw/zinc/81/25/03/547812503.db2.gz LVMCPFIVXMSDCF-HNNXBMFYSA-N 1 0 362.474 2.276 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184484774 547834181 /nfs/dbraw/zinc/83/41/81/547834181.db2.gz WYAVEJWTMOTULR-CQSZACIVSA-N 1 0 363.462 2.359 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)c1[N+](=O)[O-] ZINC000184508894 547838738 /nfs/dbraw/zinc/83/87/38/547838738.db2.gz KCZHCOCCAHUPCF-UHFFFAOYSA-N 1 0 372.429 2.275 20 5 FEBDRO Cc1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000184611300 547854296 /nfs/dbraw/zinc/85/42/96/547854296.db2.gz SQLZAAQGOWZZAJ-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184844672 547886449 /nfs/dbraw/zinc/88/64/49/547886449.db2.gz YQLVPYXAYKCITP-QGZVFWFLSA-N 1 0 373.457 2.373 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000185435977 547985037 /nfs/dbraw/zinc/98/50/37/547985037.db2.gz TZICNXCOHVMEBR-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000185779114 548034997 /nfs/dbraw/zinc/03/49/97/548034997.db2.gz JFTOMLBCHVBBFY-AWEZNQCLSA-N 1 0 363.439 2.394 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000186166213 548093296 /nfs/dbraw/zinc/09/32/96/548093296.db2.gz GEHSMBUIXDDWEL-IBGZPJMESA-N 1 0 356.426 2.371 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)CC2CCCCC2)c1 ZINC000485883015 561331176 /nfs/dbraw/zinc/33/11/76/561331176.db2.gz LSYHNPBAZHALEU-QGZVFWFLSA-N 1 0 352.431 2.209 20 5 FEBDRO CC(C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000236729080 548776375 /nfs/dbraw/zinc/77/63/75/548776375.db2.gz AVGOHUSKWCPABQ-AWEZNQCLSA-N 1 0 374.363 2.246 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000236865382 548784938 /nfs/dbraw/zinc/78/49/38/548784938.db2.gz BPLZFVGTTWUQFP-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000237229232 548810632 /nfs/dbraw/zinc/81/06/32/548810632.db2.gz XTYHXQZOECSJIP-UHFFFAOYSA-N 1 0 371.459 2.194 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237612546 548838432 /nfs/dbraw/zinc/83/84/32/548838432.db2.gz NMAWQDWKCLQSMF-NSHDSACASA-N 1 0 361.851 2.225 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCCC[C@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237635986 548841864 /nfs/dbraw/zinc/84/18/64/548841864.db2.gz JMGMEDNFZQJKGO-KRWDZBQOSA-N 1 0 371.441 2.410 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000237842650 548857879 /nfs/dbraw/zinc/85/78/79/548857879.db2.gz VBOHUSWYOWVIGO-NSHDSACASA-N 1 0 360.336 2.284 20 5 FEBDRO [NH3+]C1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237864127 548859788 /nfs/dbraw/zinc/85/97/88/548859788.db2.gz LUJLQEODQWOOKG-UHFFFAOYSA-N 1 0 360.336 2.365 20 5 FEBDRO Cc1ccc(-n2cnc3c2CCN(CCn2ccc([N+](=O)[O-])n2)C3)cc1 ZINC000488023179 561381572 /nfs/dbraw/zinc/38/15/72/561381572.db2.gz HUZZVFPYTRTHMC-UHFFFAOYSA-N 1 0 352.398 2.344 20 5 FEBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1ccnc1 ZINC000245602201 548955865 /nfs/dbraw/zinc/95/58/65/548955865.db2.gz MOETYOGWRVILBU-ZTFGCOKTSA-N 1 0 369.425 2.480 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000246114261 549055249 /nfs/dbraw/zinc/05/52/49/549055249.db2.gz INVPGAXPUYAYOQ-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134857 549060302 /nfs/dbraw/zinc/06/03/02/549060302.db2.gz JUDSEWKKHGPAED-LSDHHAIUSA-N 1 0 361.446 2.123 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000247275253 549309248 /nfs/dbraw/zinc/30/92/48/549309248.db2.gz YGWGDBSBYQSYPS-GOEBONIOSA-N 1 0 363.458 2.437 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247629547 549366975 /nfs/dbraw/zinc/36/69/75/549366975.db2.gz SPIXQLNHFIBVCX-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962846 549395118 /nfs/dbraw/zinc/39/51/18/549395118.db2.gz GKZUJQYCCQKUSZ-HZPDHXFCSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000248342059 549420679 /nfs/dbraw/zinc/42/06/79/549420679.db2.gz JHLKFLMAMMEMHR-HIFRSBDPSA-N 1 0 355.460 2.172 20 5 FEBDRO CC[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C[C@H](C)O ZINC000248574668 549460753 /nfs/dbraw/zinc/46/07/53/549460753.db2.gz MZHITJDYRCWASJ-BFHYXJOUSA-N 1 0 367.421 2.141 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000249073776 549547225 /nfs/dbraw/zinc/54/72/25/549547225.db2.gz LICBLHHVKYNEGQ-SWLSCSKDSA-N 1 0 366.368 2.310 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249166206 549564262 /nfs/dbraw/zinc/56/42/62/549564262.db2.gz KDGZULDMNVQOPX-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000489831114 561420096 /nfs/dbraw/zinc/42/00/96/561420096.db2.gz AOVWGCCVNWJDPM-LLVKDONJSA-N 1 0 372.351 2.423 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000250670465 549643745 /nfs/dbraw/zinc/64/37/45/549643745.db2.gz WWFABPZQJZYPJZ-ZWKOTPCHSA-N 1 0 352.431 2.362 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000490043137 561425009 /nfs/dbraw/zinc/42/50/09/561425009.db2.gz YKDBPMXJJLFHOU-CABCVRRESA-N 1 0 369.377 2.151 20 5 FEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000490088946 561426254 /nfs/dbraw/zinc/42/62/54/561426254.db2.gz NDWGKZOFYSFARD-IRXDYDNUSA-N 1 0 350.415 2.355 20 5 FEBDRO CN(CC(=O)N(CC[NH3+])CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000261669992 549740539 /nfs/dbraw/zinc/74/05/39/549740539.db2.gz GHZIBZRQVBAELQ-UHFFFAOYSA-N 1 0 356.426 2.061 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000261674138 549741558 /nfs/dbraw/zinc/74/15/58/549741558.db2.gz CUPAKIHGWQTSQL-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO [NH3+]C1(c2noc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)n2)CCCC1 ZINC000261781701 549754811 /nfs/dbraw/zinc/75/48/11/549754811.db2.gz NXCUWBXIFUCBLC-JTQLQIEISA-N 1 0 361.358 2.276 20 5 FEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000261788042 549755829 /nfs/dbraw/zinc/75/58/29/549755829.db2.gz KQFGJDFOWRTTJT-UWVGGRQHSA-N 1 0 356.220 2.096 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262272332 549805045 /nfs/dbraw/zinc/80/50/45/549805045.db2.gz SOXJJMXPKJWUFT-HNNXBMFYSA-N 1 0 361.423 2.069 20 5 FEBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000490675610 561437146 /nfs/dbraw/zinc/43/71/46/561437146.db2.gz UYKIENAYSZGNQE-UHFFFAOYSA-N 1 0 351.403 2.221 20 5 FEBDRO Cc1n[nH]c(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000264121368 549981069 /nfs/dbraw/zinc/98/10/69/549981069.db2.gz CRVJJOLLMYFJCS-UHFFFAOYSA-N 1 0 359.430 2.263 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000491137123 561443338 /nfs/dbraw/zinc/44/33/38/561443338.db2.gz PVNGMSXATVDHNH-QGZVFWFLSA-N 1 0 356.426 2.334 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269330955 550182354 /nfs/dbraw/zinc/18/23/54/550182354.db2.gz AITHDWJEAWLOAL-UHFFFAOYSA-N 1 0 374.485 2.154 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)nc2)C1 ZINC000269438968 550196004 /nfs/dbraw/zinc/19/60/04/550196004.db2.gz QHPOCKZFWOEUPO-ZDUSSCGKSA-N 1 0 361.427 2.444 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000269519263 550203625 /nfs/dbraw/zinc/20/36/25/550203625.db2.gz XCLBERKYIMRHBS-GFCCVEGCSA-N 1 0 361.320 2.064 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000493537550 561456615 /nfs/dbraw/zinc/45/66/15/561456615.db2.gz WDELKDZAYUQQNC-BBRMVZONSA-N 1 0 370.409 2.074 20 5 FEBDRO COc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077593 550338033 /nfs/dbraw/zinc/33/80/33/550338033.db2.gz HOKXSOUJPLLCQH-INIZCTEOSA-N 1 0 354.426 2.426 20 5 FEBDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272052306 550418795 /nfs/dbraw/zinc/41/87/95/550418795.db2.gz HPDIGKWHVCKRPR-YGRLFVJLSA-N 1 0 358.320 2.429 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272311903 550436614 /nfs/dbraw/zinc/43/66/14/550436614.db2.gz IJFFGKOLARZCCV-MFKMUULPSA-N 1 0 363.443 2.402 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272409727 550445256 /nfs/dbraw/zinc/44/52/56/550445256.db2.gz KZDCMXJIMZJQKY-XHDPSFHLSA-N 1 0 373.862 2.271 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000272452594 550449484 /nfs/dbraw/zinc/44/94/84/550449484.db2.gz MVWFHBZIGSFDNB-HUUCEWRRSA-N 1 0 362.430 2.229 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000273362420 550495456 /nfs/dbraw/zinc/49/54/56/550495456.db2.gz QTGZKXZEPQOZMG-DLBZAZTESA-N 1 0 360.410 2.390 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494628263 561472770 /nfs/dbraw/zinc/47/27/70/561472770.db2.gz BPJKXCIXHPESTE-AWEZNQCLSA-N 1 0 361.423 2.177 20 5 FEBDRO C[NH+]1CCN(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275776938 550574314 /nfs/dbraw/zinc/57/43/14/550574314.db2.gz UIUYMZLUVCSGEN-UHFFFAOYSA-N 1 0 364.449 2.071 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277017563 550622278 /nfs/dbraw/zinc/62/22/78/550622278.db2.gz ZGATYTGEQFVRBN-UHFFFAOYSA-N 1 0 372.381 2.091 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[NH+](C(C)C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277140843 550636416 /nfs/dbraw/zinc/63/64/16/550636416.db2.gz GSQMQPORYQTBEH-UHFFFAOYSA-N 1 0 364.402 2.248 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277480299 550675936 /nfs/dbraw/zinc/67/59/36/550675936.db2.gz KOHZJTLYEPDWFG-HNNXBMFYSA-N 1 0 374.441 2.283 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277739178 550708424 /nfs/dbraw/zinc/70/84/24/550708424.db2.gz YBOODGWFHHNMTC-XCBNKYQSSA-N 1 0 360.183 2.224 20 5 FEBDRO CS(=O)(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277953124 550732460 /nfs/dbraw/zinc/73/24/60/550732460.db2.gz SRZKDSOMFNOUGD-UHFFFAOYSA-N 1 0 353.444 2.285 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278738810 550816703 /nfs/dbraw/zinc/81/67/03/550816703.db2.gz REDJVKMDNJCQGI-GFCCVEGCSA-N 1 0 374.445 2.343 20 5 FEBDRO COc1cc(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000279276652 550872778 /nfs/dbraw/zinc/87/27/78/550872778.db2.gz XCHVJPAVZLFOCQ-JSGCOSHPSA-N 1 0 365.430 2.001 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280923308 551045971 /nfs/dbraw/zinc/04/59/71/551045971.db2.gz DTJBHBHWZKNOCE-FNODVLLQSA-N 1 0 353.444 2.203 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281511763 551106928 /nfs/dbraw/zinc/10/69/28/551106928.db2.gz ABMPNNKFTVBXMR-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000281511755 551107020 /nfs/dbraw/zinc/10/70/20/551107020.db2.gz ABMPNNKFTVBXMR-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281569591 551114365 /nfs/dbraw/zinc/11/43/65/551114365.db2.gz CMAMCDNVTDSUDW-UZLBHIALSA-N 1 0 372.421 2.148 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282040910 551173057 /nfs/dbraw/zinc/17/30/57/551173057.db2.gz LNBNKAPCCXORBD-MRXNPFEDSA-N 1 0 368.455 2.307 20 5 FEBDRO COc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000497504787 561502390 /nfs/dbraw/zinc/50/23/90/561502390.db2.gz NLQOCGMJTALXAN-JWTNVVGKSA-N 1 0 374.485 2.346 20 5 FEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000282541027 551244082 /nfs/dbraw/zinc/24/40/82/551244082.db2.gz SJVRRQMODYLPHX-UHFFFAOYSA-N 1 0 356.430 2.455 20 5 FEBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746339 551265910 /nfs/dbraw/zinc/26/59/10/551265910.db2.gz NLWFKIVPSBWRAQ-BBRMVZONSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000497459487 561501389 /nfs/dbraw/zinc/50/13/89/561501389.db2.gz JWXKGSITWDQYNP-RDJZCZTQSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282871546 551280397 /nfs/dbraw/zinc/28/03/97/551280397.db2.gz USYWBFKUQODFDB-OAHLLOKOSA-N 1 0 360.414 2.023 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765348 551627650 /nfs/dbraw/zinc/62/76/50/551627650.db2.gz MOGDCHLMKNSEMO-UXHICEINSA-N 1 0 355.438 2.487 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000498569001 561528901 /nfs/dbraw/zinc/52/89/01/561528901.db2.gz DUERDCSUDLRRDR-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO CC1CCN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)CC1 ZINC000285009448 551688686 /nfs/dbraw/zinc/68/86/86/551688686.db2.gz DAKAISKIHIPTRH-UHFFFAOYSA-N 1 0 350.404 2.259 20 5 FEBDRO CN(C)S(=O)(=O)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000285495314 551765382 /nfs/dbraw/zinc/76/53/82/551765382.db2.gz DWARSPJTEANWOV-LBPRGKRZSA-N 1 0 361.851 2.104 20 5 FEBDRO CCOC1CC2(C1)CCN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000285558386 551774494 /nfs/dbraw/zinc/77/44/94/551774494.db2.gz SEWKDVVDDDRBDT-UHFFFAOYSA-N 1 0 359.426 2.375 20 5 FEBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000498918472 561537957 /nfs/dbraw/zinc/53/79/57/561537957.db2.gz QIAOJPQLQDSEMF-ZDUSSCGKSA-N 1 0 357.414 2.090 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000286049703 551843166 /nfs/dbraw/zinc/84/31/66/551843166.db2.gz ATECMBIVTLYUFJ-IUODEOHRSA-N 1 0 360.414 2.230 20 5 FEBDRO CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286252097 551865770 /nfs/dbraw/zinc/86/57/70/551865770.db2.gz PELVJXSPDOUVCD-HQYGPGPXSA-N 1 0 372.425 2.171 20 5 FEBDRO COc1ccc(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000286323765 551874590 /nfs/dbraw/zinc/87/45/90/551874590.db2.gz AAXYELAOOSOEJO-UKRRQHHQSA-N 1 0 362.430 2.372 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000286536504 551897273 /nfs/dbraw/zinc/89/72/73/551897273.db2.gz SQYQAAPLVHVNTQ-GFCCVEGCSA-N 1 0 363.443 2.148 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286878787 551935987 /nfs/dbraw/zinc/93/59/87/551935987.db2.gz ZFVJLWLXUICSSZ-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498499 552011915 /nfs/dbraw/zinc/01/19/15/552011915.db2.gz ULSNAUFEYPSECU-AAEUAGOBSA-N 1 0 353.806 2.183 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287982330 552070749 /nfs/dbraw/zinc/07/07/49/552070749.db2.gz APHCXOAFHHURLN-GOEBONIOSA-N 1 0 369.425 2.479 20 5 FEBDRO CC(C)OCC[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288373256 552142486 /nfs/dbraw/zinc/14/24/86/552142486.db2.gz LILGOTFSKCZTKY-UHFFFAOYSA-N 1 0 351.432 2.147 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289355494 552306457 /nfs/dbraw/zinc/30/64/57/552306457.db2.gz YMKCPMOEKSNDKD-OAHLLOKOSA-N 1 0 360.458 2.012 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1SC ZINC000289538445 552337394 /nfs/dbraw/zinc/33/73/94/552337394.db2.gz BNNDSEQYQJJAKY-QWRGUYRKSA-N 1 0 351.428 2.007 20 5 FEBDRO Cc1nnc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289694819 552362857 /nfs/dbraw/zinc/36/28/57/552362857.db2.gz DCUTUYLDJABZRI-UHFFFAOYSA-N 1 0 358.427 2.488 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000290241520 552447337 /nfs/dbraw/zinc/44/73/37/552447337.db2.gz ZOAGAUBEZGWJSJ-JTQLQIEISA-N 1 0 364.370 2.111 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000290356482 552466326 /nfs/dbraw/zinc/46/63/26/552466326.db2.gz YXLFDXXSHIOCNY-ZDUSSCGKSA-N 1 0 362.430 2.086 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525657 552492790 /nfs/dbraw/zinc/49/27/90/552492790.db2.gz GSNOWMIZXNCYNQ-KGLIPLIRSA-N 1 0 361.446 2.180 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290791348 552538387 /nfs/dbraw/zinc/53/83/87/552538387.db2.gz QKQVDRRRRQPIIA-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290872369 552553529 /nfs/dbraw/zinc/55/35/29/552553529.db2.gz ZUVHVDFCUXHCPX-OAHLLOKOSA-N 1 0 369.425 2.047 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000290979916 552571668 /nfs/dbraw/zinc/57/16/68/552571668.db2.gz RJOPFGJATQMBTO-MRXNPFEDSA-N 1 0 369.425 2.411 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292098614 552693646 /nfs/dbraw/zinc/69/36/46/552693646.db2.gz UECRUYGAPOXZLE-ZDUSSCGKSA-N 1 0 353.444 2.090 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292836051 552763320 /nfs/dbraw/zinc/76/33/20/552763320.db2.gz BVOMOXXDHIJPCV-QAPCUYQASA-N 1 0 361.445 2.365 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292980070 552776891 /nfs/dbraw/zinc/77/68/91/552776891.db2.gz HGIGPSLIYGMMOT-MRXNPFEDSA-N 1 0 370.471 2.145 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000293407174 552820302 /nfs/dbraw/zinc/82/03/02/552820302.db2.gz MYCKDJISIKTYDK-PBHICJAKSA-N 1 0 358.442 2.409 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293655487 552844320 /nfs/dbraw/zinc/84/43/20/552844320.db2.gz IUJHULPVPGILCO-UHFFFAOYSA-N 1 0 356.444 2.296 20 5 FEBDRO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C2CCC2)C1 ZINC000293790573 552856614 /nfs/dbraw/zinc/85/66/14/552856614.db2.gz WTVJZLURTMFPIS-CYBMUJFWSA-N 1 0 365.405 2.446 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293942673 552869903 /nfs/dbraw/zinc/86/99/03/552869903.db2.gz RBUXDJSWYNPOFM-JKSUJKDBSA-N 1 0 365.455 2.009 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294002903 552874351 /nfs/dbraw/zinc/87/43/51/552874351.db2.gz MJIWTNUELLOTGP-UHFFFAOYSA-N 1 0 369.425 2.446 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(OCCOC)CCOCC1 ZINC000294782856 552933904 /nfs/dbraw/zinc/93/39/04/552933904.db2.gz LGQKFEHZVRLXAC-UHFFFAOYSA-N 1 0 368.430 2.295 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295016116 552951378 /nfs/dbraw/zinc/95/13/78/552951378.db2.gz PXCZBJINCKLQCD-ZDUSSCGKSA-N 1 0 368.865 2.312 20 5 FEBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000295191141 552968047 /nfs/dbraw/zinc/96/80/47/552968047.db2.gz XIQZHRJMGQSQSX-AWEZNQCLSA-N 1 0 353.419 2.221 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295983802 553084493 /nfs/dbraw/zinc/08/44/93/553084493.db2.gz WOLXDMWDCLOPNL-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000296109711 553106423 /nfs/dbraw/zinc/10/64/23/553106423.db2.gz QJFGKURRUYGBBK-GFCCVEGCSA-N 1 0 361.402 2.499 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502514009 561620245 /nfs/dbraw/zinc/62/02/45/561620245.db2.gz UYHIJUNLRCRFMO-NWANDNLSSA-N 1 0 360.357 2.475 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000502697458 561623657 /nfs/dbraw/zinc/62/36/57/561623657.db2.gz FBHSBTHUHKWFMR-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296661904 553194892 /nfs/dbraw/zinc/19/48/92/553194892.db2.gz QJSVKYBOMWVXCH-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296692207 553198620 /nfs/dbraw/zinc/19/86/20/553198620.db2.gz LZMASNDSPUKDJD-LBPRGKRZSA-N 1 0 357.382 2.051 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000296795673 553212966 /nfs/dbraw/zinc/21/29/66/553212966.db2.gz DQXFHDVEEOZDOF-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297442783 553292724 /nfs/dbraw/zinc/29/27/24/553292724.db2.gz RTRAAJHOJWWEKF-GOSISDBHSA-N 1 0 362.430 2.231 20 5 FEBDRO Cc1cc(F)c(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000297561972 553309217 /nfs/dbraw/zinc/30/92/17/553309217.db2.gz BETLBZDWFBCQLM-UHFFFAOYSA-N 1 0 369.441 2.390 20 5 FEBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC000503211566 561636743 /nfs/dbraw/zinc/63/67/43/561636743.db2.gz JHZFQXVCRZZSFP-UHFFFAOYSA-N 1 0 352.394 2.327 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000298268984 553406108 /nfs/dbraw/zinc/40/61/08/553406108.db2.gz GIAQUEDUMNIPAR-UHFFFAOYSA-N 1 0 374.363 2.214 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000503527393 561643709 /nfs/dbraw/zinc/64/37/09/561643709.db2.gz YGWLTVPAQDQRJG-QZTJIDSGSA-N 1 0 357.410 2.484 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccs1 ZINC000298715839 553463001 /nfs/dbraw/zinc/46/30/01/553463001.db2.gz YTBWSFHDSOTRRD-GFCCVEGCSA-N 1 0 352.391 2.410 20 5 FEBDRO COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)[NH+]1CCCC1 ZINC000298855190 553481389 /nfs/dbraw/zinc/48/13/89/553481389.db2.gz FBLBJIVRLUXSTQ-HNNXBMFYSA-N 1 0 358.398 2.498 20 5 FEBDRO COc1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000298878491 553484134 /nfs/dbraw/zinc/48/41/34/553484134.db2.gz QQXCWMBMTKPDQN-UHFFFAOYSA-N 1 0 350.419 2.275 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000299446045 553563973 /nfs/dbraw/zinc/56/39/73/553563973.db2.gz YQRAISKGNCPDOZ-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000299472276 553568207 /nfs/dbraw/zinc/56/82/07/553568207.db2.gz BWHMRIARLSODTE-CQSZACIVSA-N 1 0 363.418 2.282 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000299581811 553584332 /nfs/dbraw/zinc/58/43/32/553584332.db2.gz HSFSTMPUJBBBHC-GOEBONIOSA-N 1 0 374.441 2.093 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000299583290 553584504 /nfs/dbraw/zinc/58/45/04/553584504.db2.gz RKPMQQGUFGHBLC-AWEZNQCLSA-N 1 0 361.446 2.037 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000301167647 553627390 /nfs/dbraw/zinc/62/73/90/553627390.db2.gz DEJGEGUFNZWCDO-UHFFFAOYSA-N 1 0 359.342 2.233 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301869171 553686853 /nfs/dbraw/zinc/68/68/53/553686853.db2.gz GYUFBDZEZIUKSC-AWEZNQCLSA-N 1 0 367.471 2.453 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301899114 553689536 /nfs/dbraw/zinc/68/95/36/553689536.db2.gz SVJRUNSYRRDTEE-ZDUSSCGKSA-N 1 0 353.444 2.063 20 5 FEBDRO Cc1nn(C)c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302798451 553733819 /nfs/dbraw/zinc/73/38/19/553733819.db2.gz RMCBHYSPWUWCCE-INIZCTEOSA-N 1 0 359.430 2.340 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000505503065 561672371 /nfs/dbraw/zinc/67/23/71/561672371.db2.gz KWAFVQHICDCLMJ-IBGZPJMESA-N 1 0 369.425 2.338 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324205477 553771623 /nfs/dbraw/zinc/77/16/23/553771623.db2.gz NZVYMEKBIMYZBO-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000324978238 553774237 /nfs/dbraw/zinc/77/42/37/553774237.db2.gz QIISRMHEVMWWKC-LSDHHAIUSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000324977414 553774419 /nfs/dbraw/zinc/77/44/19/553774419.db2.gz QBFHDWDNOKBFOI-JKSUJKDBSA-N 1 0 353.444 2.031 20 5 FEBDRO [NH3+]CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000326990496 553784947 /nfs/dbraw/zinc/78/49/47/553784947.db2.gz YETQDABSDGXQDJ-NSHDSACASA-N 1 0 365.386 2.375 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000330536696 554134987 /nfs/dbraw/zinc/13/49/87/554134987.db2.gz FEHSMVMNTPKENW-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330886177 554183366 /nfs/dbraw/zinc/18/33/66/554183366.db2.gz RJPXRGORHVWSNC-UHFFFAOYSA-N 1 0 355.460 2.337 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000331071112 554208795 /nfs/dbraw/zinc/20/87/95/554208795.db2.gz IQVJFBSRDQSLIF-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000331282976 554241216 /nfs/dbraw/zinc/24/12/16/554241216.db2.gz JPVZFULNVKDGQL-UHFFFAOYSA-N 1 0 355.460 2.229 20 5 FEBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000331507975 554276797 /nfs/dbraw/zinc/27/67/97/554276797.db2.gz BCFLTORZSMSAGR-ZACQAIPSSA-N 1 0 363.414 2.192 20 5 FEBDRO COc1c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000332084195 554376803 /nfs/dbraw/zinc/37/68/03/554376803.db2.gz PLYMQBFGQYXBIB-LSDHHAIUSA-N 1 0 365.455 2.255 20 5 FEBDRO CC(C)C1CCC([NH+]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000332131042 554387004 /nfs/dbraw/zinc/38/70/04/554387004.db2.gz KNLOVKUVDQQYNQ-UHFFFAOYSA-N 1 0 363.462 2.150 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253765 554410958 /nfs/dbraw/zinc/41/09/58/554410958.db2.gz YNXTWCCIRPGQOQ-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000332532727 554465195 /nfs/dbraw/zinc/46/51/95/554465195.db2.gz WHXMTRHBIJEECL-GFCCVEGCSA-N 1 0 366.393 2.451 20 5 FEBDRO CC(C)(C(=O)NCCNc1ccc2ccccc2n1)n1cc([N+](=O)[O-])cn1 ZINC000610247182 554477488 /nfs/dbraw/zinc/47/74/88/554477488.db2.gz WGUQASGRHDCTDN-UHFFFAOYSA-N 1 0 368.397 2.303 20 5 FEBDRO C[C@H]1C[C@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000510200169 561828084 /nfs/dbraw/zinc/82/80/84/561828084.db2.gz WYBODKOKWRCCCN-RDJZCZTQSA-N 1 0 371.441 2.208 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1nccn1C)C1CC1 ZINC000510461757 561835304 /nfs/dbraw/zinc/83/53/04/561835304.db2.gz QPZJDVLQIIZJDD-HNNXBMFYSA-N 1 0 364.427 2.320 20 5 FEBDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000510674077 561843120 /nfs/dbraw/zinc/84/31/20/561843120.db2.gz GVCQHNFLJZSCRQ-UHFFFAOYSA-N 1 0 367.427 2.330 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3CCC[C@H]3[NH+]3CCOCC3)cc2N1 ZINC000360231378 554868410 /nfs/dbraw/zinc/86/84/10/554868410.db2.gz VXWMQCMONPQEQW-WMLDXEAASA-N 1 0 374.441 2.392 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000360524235 554878433 /nfs/dbraw/zinc/87/84/33/554878433.db2.gz WRHFYSCEXQIANA-UKRRQHHQSA-N 1 0 368.821 2.311 20 5 FEBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360535146 554878724 /nfs/dbraw/zinc/87/87/24/554878724.db2.gz ATDNIPZLYZHKMC-QGZVFWFLSA-N 1 0 361.446 2.227 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361016228 554900347 /nfs/dbraw/zinc/90/03/47/554900347.db2.gz AFYUJROKACDGMF-HRCADAONSA-N 1 0 359.426 2.306 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000361026800 554901058 /nfs/dbraw/zinc/90/10/58/554901058.db2.gz CDVULCZZYZFKAG-SOUVJXGZSA-N 1 0 365.455 2.008 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511491549 561870748 /nfs/dbraw/zinc/87/07/48/561870748.db2.gz GOKFKUQLECLAIK-OZLAXVTRSA-N 1 0 361.442 2.471 20 5 FEBDRO CCc1nc(CN2C[C@@H]3CN(c4ccc(F)cc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000361769043 554933786 /nfs/dbraw/zinc/93/37/86/554933786.db2.gz RKMPXXRBBGSTCM-TXEJJXNPSA-N 1 0 361.377 2.248 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511752639 561879571 /nfs/dbraw/zinc/87/95/71/561879571.db2.gz ACIQPXIPCPXNCO-INIZCTEOSA-N 1 0 371.441 2.359 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363078992 555025630 /nfs/dbraw/zinc/02/56/30/555025630.db2.gz MEHNDJSSESHUEU-HNNXBMFYSA-N 1 0 353.444 2.016 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000511911335 561885237 /nfs/dbraw/zinc/88/52/37/561885237.db2.gz SMCGTEAUWLBDMN-HNNXBMFYSA-N 1 0 364.450 2.012 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000363660333 555157952 /nfs/dbraw/zinc/15/79/52/555157952.db2.gz DSAGANLVXGUHBM-QZTJIDSGSA-N 1 0 363.458 2.285 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873344 555203744 /nfs/dbraw/zinc/20/37/44/555203744.db2.gz CIMISDWFAHGHTE-SUMWQHHRSA-N 1 0 369.425 2.212 20 5 FEBDRO C[C@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929033 555216078 /nfs/dbraw/zinc/21/60/78/555216078.db2.gz UQUUNPNGGRAEJF-HBUWYVDXSA-N 1 0 363.414 2.192 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000364331418 555292951 /nfs/dbraw/zinc/29/29/51/555292951.db2.gz YXVKWDKOQSMBMX-INIZCTEOSA-N 1 0 353.386 2.209 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364432147 555313076 /nfs/dbraw/zinc/31/30/76/555313076.db2.gz ASMFURAKINJFBR-HZPDHXFCSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556831 555337704 /nfs/dbraw/zinc/33/77/04/555337704.db2.gz KQFYUJUJCZEKQU-XPKDYRNWSA-N 1 0 365.405 2.353 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512831948 561917093 /nfs/dbraw/zinc/91/70/93/561917093.db2.gz GJLWVXCZKMFZMC-LLVKDONJSA-N 1 0 371.340 2.454 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365204509 555510373 /nfs/dbraw/zinc/51/03/73/555510373.db2.gz RPMIMOCNVRSPLY-SCTDSRPQSA-N 1 0 373.384 2.329 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365540086 555603292 /nfs/dbraw/zinc/60/32/92/555603292.db2.gz QQHGUUIZXSUSGI-OWQGQXMQSA-N 1 0 358.442 2.217 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678736 561946655 /nfs/dbraw/zinc/94/66/55/561946655.db2.gz RPHXZTLOATWTNR-JEBQAFNWSA-N 1 0 355.442 2.490 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(c2ncccn2)CC1 ZINC000366624152 555893419 /nfs/dbraw/zinc/89/34/19/555893419.db2.gz JJTVOAZFBHNDQU-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000366942129 555977510 /nfs/dbraw/zinc/97/75/10/555977510.db2.gz XFAXUVRLYOEQKP-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO NS(=O)(=O)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000367096072 556001170 /nfs/dbraw/zinc/00/11/70/556001170.db2.gz GWVVJELPIIXKAP-UHFFFAOYSA-N 1 0 372.446 2.199 20 5 FEBDRO Cc1c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000367370141 556030210 /nfs/dbraw/zinc/03/02/10/556030210.db2.gz BFVQAAJXSZYAMQ-UHFFFAOYSA-N 1 0 371.353 2.413 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367460842 556056796 /nfs/dbraw/zinc/05/67/96/556056796.db2.gz KMABUHPYFRDGQD-OAHLLOKOSA-N 1 0 362.474 2.346 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367716826 556121745 /nfs/dbraw/zinc/12/17/45/556121745.db2.gz QKECDSSCXABMNU-MRXNPFEDSA-N 1 0 360.458 2.261 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733862 556125809 /nfs/dbraw/zinc/12/58/09/556125809.db2.gz KIHRTQYGVGDBLW-NSHDSACASA-N 1 0 362.459 2.180 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000367766997 556134214 /nfs/dbraw/zinc/13/42/14/556134214.db2.gz HPYZUWGJEATBRJ-HNNXBMFYSA-N 1 0 350.438 2.193 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000367885515 556164706 /nfs/dbraw/zinc/16/47/06/556164706.db2.gz LUXJDIHKWIWMSI-RISCZKNCSA-N 1 0 373.862 2.401 20 5 FEBDRO CCC[C@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000367983294 556187834 /nfs/dbraw/zinc/18/78/34/556187834.db2.gz OILXOFXEEBNHAY-SFHVURJKSA-N 1 0 365.430 2.417 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000368261852 556261664 /nfs/dbraw/zinc/26/16/64/556261664.db2.gz DHDTVJQKGKYXFG-RRQGHBQHSA-N 1 0 358.442 2.394 20 5 FEBDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000368292112 556270642 /nfs/dbraw/zinc/27/06/42/556270642.db2.gz TVHIQUQKUMQPIR-HIFRSBDPSA-N 1 0 367.450 2.417 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccc(OC(F)F)cn2)c1 ZINC000515467925 562011667 /nfs/dbraw/zinc/01/16/67/562011667.db2.gz WKYKJAZKAXJKQT-CYBMUJFWSA-N 1 0 369.324 2.121 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000368766597 556408289 /nfs/dbraw/zinc/40/82/89/556408289.db2.gz JMVBTSLEJOTZDW-INIZCTEOSA-N 1 0 362.430 2.373 20 5 FEBDRO Cn1cc([C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552347 562014849 /nfs/dbraw/zinc/01/48/49/562014849.db2.gz DUCBJDJLQSRJFT-HZPDHXFCSA-N 1 0 374.441 2.194 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000368844205 556427996 /nfs/dbraw/zinc/42/79/96/556427996.db2.gz JTGPXNUJSXEUGT-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000515570609 562015697 /nfs/dbraw/zinc/01/56/97/562015697.db2.gz QTMOFHLYKZSTAB-JTOWHCCKSA-N 1 0 374.445 2.376 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000515636164 562017942 /nfs/dbraw/zinc/01/79/42/562017942.db2.gz NBMICSQSLABCEX-AWEZNQCLSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368967329 556461820 /nfs/dbraw/zinc/46/18/20/556461820.db2.gz WTSXZQAOHQCRHO-HNNXBMFYSA-N 1 0 351.447 2.271 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359134 556579639 /nfs/dbraw/zinc/57/96/39/556579639.db2.gz PCIAQJWHULKICT-XBFCOCLRSA-N 1 0 353.444 2.276 20 5 FEBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000369510526 556615471 /nfs/dbraw/zinc/61/54/71/556615471.db2.gz GLYWJNWYCHYYDU-INIZCTEOSA-N 1 0 369.425 2.474 20 5 FEBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369785369 556694355 /nfs/dbraw/zinc/69/43/55/556694355.db2.gz XGPTUPJYCGOLIT-HNNXBMFYSA-N 1 0 372.429 2.296 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369795611 556697829 /nfs/dbraw/zinc/69/78/29/556697829.db2.gz TVSZFPCLUYRBSU-BQFCYCMXSA-N 1 0 358.442 2.263 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370005491 556755641 /nfs/dbraw/zinc/75/56/41/556755641.db2.gz GBNLJIIZIGUVQC-KBPBESRZSA-N 1 0 357.414 2.220 20 5 FEBDRO Nc1c(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000370096668 556779975 /nfs/dbraw/zinc/77/99/75/556779975.db2.gz GDCQFMIBNIKVQB-UHFFFAOYSA-N 1 0 369.425 2.009 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3CO)o2)c(Cl)c1 ZINC000370401533 556861058 /nfs/dbraw/zinc/86/10/58/556861058.db2.gz YBXHQMZEXJWPLB-VXGBXAGGSA-N 1 0 352.774 2.436 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283540 557130622 /nfs/dbraw/zinc/13/06/22/557130622.db2.gz LDIWWQKIUVKDCO-QFBILLFUSA-N 1 0 363.458 2.435 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415105 562089436 /nfs/dbraw/zinc/08/94/36/562089436.db2.gz NILMYAQQYAOCFN-ZIAGYGMSSA-N 1 0 355.460 2.277 20 5 FEBDRO CNC(=O)CN1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000371378794 557166542 /nfs/dbraw/zinc/16/65/42/557166542.db2.gz KEEVLTKCTGXIPC-UHFFFAOYSA-N 1 0 372.425 2.109 20 5 FEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612519 562093831 /nfs/dbraw/zinc/09/38/31/562093831.db2.gz KZZHVUYCRUMSAZ-JSGCOSHPSA-N 1 0 363.418 2.328 20 5 FEBDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491994 557198738 /nfs/dbraw/zinc/19/87/38/557198738.db2.gz ZRCAUQKUKJZWMS-KBPBESRZSA-N 1 0 357.414 2.340 20 5 FEBDRO C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371784301 557292554 /nfs/dbraw/zinc/29/25/54/557292554.db2.gz RGJKKDGUWXTOKY-DOMZBBRYSA-N 1 0 365.405 2.207 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371902588 557325446 /nfs/dbraw/zinc/32/54/46/557325446.db2.gz WWFPXBGQWIQJMR-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000518519042 562113458 /nfs/dbraw/zinc/11/34/58/562113458.db2.gz LDQIJDPOZWEBLU-HZPDHXFCSA-N 1 0 351.447 2.045 20 5 FEBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086335 557376522 /nfs/dbraw/zinc/37/65/22/557376522.db2.gz UPWJXHULZOWTLD-GVDBMIGSSA-N 1 0 369.425 2.242 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372521884 557491717 /nfs/dbraw/zinc/49/17/17/557491717.db2.gz KRYIPIPQPIAIOZ-KBAYOESNSA-N 1 0 361.442 2.143 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000372588046 557513724 /nfs/dbraw/zinc/51/37/24/557513724.db2.gz NKPAPLSLEOFBSY-RUYXUALKSA-N 1 0 351.406 2.384 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000519548920 562134474 /nfs/dbraw/zinc/13/44/74/562134474.db2.gz ZQOHMSVKZQRIGJ-CQSZACIVSA-N 1 0 355.460 2.260 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1C ZINC000372791448 557563199 /nfs/dbraw/zinc/56/31/99/557563199.db2.gz ZIUFKZFZQORPIO-HZPDHXFCSA-N 1 0 353.444 2.104 20 5 FEBDRO CC(=O)N1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccc(F)cc2C1 ZINC000372797962 557564296 /nfs/dbraw/zinc/56/42/96/557564296.db2.gz CYLGJBYHLXESPI-QGZVFWFLSA-N 1 0 361.377 2.014 20 5 FEBDRO C[N@H+](CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000372803497 557565366 /nfs/dbraw/zinc/56/53/66/557565366.db2.gz PGFZPQULOOTEJL-HNNXBMFYSA-N 1 0 364.450 2.012 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000519698278 562140502 /nfs/dbraw/zinc/14/05/02/562140502.db2.gz YLPOEQWWCYGEKI-MAUKXSAKSA-N 1 0 354.410 2.280 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccsc2)CC1 ZINC000373305927 557669289 /nfs/dbraw/zinc/66/92/89/557669289.db2.gz SRNBPHOZVOQUJT-UHFFFAOYSA-N 1 0 361.427 2.259 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373308774 557670144 /nfs/dbraw/zinc/67/01/44/557670144.db2.gz MZUDOKRJGLDTMX-UHFFFAOYSA-N 1 0 374.401 2.711 20 5 FEBDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582803 557722809 /nfs/dbraw/zinc/72/28/09/557722809.db2.gz IAILUYXCMQWSKS-DOTOQJQBSA-N 1 0 360.414 2.177 20 5 FEBDRO CCN1CCC([NH+]2CCC(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000520834760 562164703 /nfs/dbraw/zinc/16/47/03/562164703.db2.gz MLYGWPFBWQZLID-UHFFFAOYSA-N 1 0 374.485 2.407 20 5 FEBDRO CNc1nc(C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000521054562 562168596 /nfs/dbraw/zinc/16/85/96/562168596.db2.gz FRZKPOXRZVFINP-UHFFFAOYSA-N 1 0 372.429 2.021 20 5 FEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374636082 557910224 /nfs/dbraw/zinc/91/02/24/557910224.db2.gz KWHMXGDXBXPRIC-CYBMUJFWSA-N 1 0 361.402 2.302 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@@H]21 ZINC000375050318 557970145 /nfs/dbraw/zinc/97/01/45/557970145.db2.gz QIGUPNDMKMDDNF-KSSFIOAISA-N 1 0 358.442 2.361 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000375064951 557972545 /nfs/dbraw/zinc/97/25/45/557972545.db2.gz ZTZPRTAYNISAII-OALUTQOASA-N 1 0 369.421 2.408 20 5 FEBDRO C[C@@H]1[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC12CCOCC2 ZINC000375245603 557997629 /nfs/dbraw/zinc/99/76/29/557997629.db2.gz NUIGEWPESJCSKR-AWEZNQCLSA-N 1 0 359.426 2.375 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1SC ZINC000375252927 557999396 /nfs/dbraw/zinc/99/93/96/557999396.db2.gz OPLNWHPCKQOJSS-JGPRNRPPSA-N 1 0 351.428 2.420 20 5 FEBDRO Cc1n[nH]cc1C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000375388509 558019249 /nfs/dbraw/zinc/01/92/49/558019249.db2.gz PVTVOCVQIBBLGW-MRXNPFEDSA-N 1 0 360.414 2.246 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375817765 558084406 /nfs/dbraw/zinc/08/44/06/558084406.db2.gz GFRNADQZBZXJJL-WMLDXEAASA-N 1 0 369.425 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887030 558093982 /nfs/dbraw/zinc/09/39/82/558093982.db2.gz BKKRTMLOSIDMKF-GOSISDBHSA-N 1 0 362.474 2.204 20 5 FEBDRO C[C@H](C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171210 558136280 /nfs/dbraw/zinc/13/62/80/558136280.db2.gz INQZTSOAXHFVEE-IPYPFGDCSA-N 1 0 365.405 2.159 20 5 FEBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000376216344 558142694 /nfs/dbraw/zinc/14/26/94/558142694.db2.gz ACMPCYRGAFRMCZ-QEJZJMRPSA-N 1 0 360.414 2.005 20 5 FEBDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000377119643 558270093 /nfs/dbraw/zinc/27/00/93/558270093.db2.gz KPNBSEOQPWFNOQ-XYPHTWIQSA-N 1 0 363.414 2.192 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377221237 558292064 /nfs/dbraw/zinc/29/20/64/558292064.db2.gz CRBZUNGPDLVUBO-MRXNPFEDSA-N 1 0 363.462 2.403 20 5 FEBDRO Cc1nnc(N2CCC([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1 ZINC000377263418 558301759 /nfs/dbraw/zinc/30/17/59/558301759.db2.gz XRBIVIIMKLNJPX-UHFFFAOYSA-N 1 0 373.442 2.390 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCOC2(CCOCC2)CC1 ZINC000377279623 558304942 /nfs/dbraw/zinc/30/49/42/558304942.db2.gz VRQDCIWKXBWWIN-UHFFFAOYSA-N 1 0 363.414 2.113 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000377283593 558306280 /nfs/dbraw/zinc/30/62/80/558306280.db2.gz RYSLAQQCUQDULR-ZIAGYGMSSA-N 1 0 359.835 2.140 20 5 FEBDRO C[N@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000522598808 562200372 /nfs/dbraw/zinc/20/03/72/562200372.db2.gz ZQZRQBDOXPZCML-UHFFFAOYSA-N 1 0 359.430 2.165 20 5 FEBDRO COC(=O)c1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000378183195 558498057 /nfs/dbraw/zinc/49/80/57/558498057.db2.gz KFKWNBVFHOJJSK-CYBMUJFWSA-N 1 0 365.455 2.317 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378224948 558506124 /nfs/dbraw/zinc/50/61/24/558506124.db2.gz JKQFPHWOFNEMAI-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378224947 558506265 /nfs/dbraw/zinc/50/62/65/558506265.db2.gz JKQFPHWOFNEMAI-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378254783 558512768 /nfs/dbraw/zinc/51/27/68/558512768.db2.gz VQAUIFTWYHWMIO-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H]2CN(C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000378267823 558515728 /nfs/dbraw/zinc/51/57/28/558515728.db2.gz CDEZGLRGMDXDCQ-MRXNPFEDSA-N 1 0 357.414 2.101 20 5 FEBDRO COc1cc(OCC(=O)N2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000378334741 558532251 /nfs/dbraw/zinc/53/22/51/558532251.db2.gz MSNBFPLQRPFXFD-UHFFFAOYSA-N 1 0 363.414 2.069 20 5 FEBDRO CN(C(=O)[C@@H]1CC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000378510523 558572444 /nfs/dbraw/zinc/57/24/44/558572444.db2.gz WYRQWJXRKDMXBG-ROUUACIJSA-N 1 0 373.453 2.351 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000524774934 562234535 /nfs/dbraw/zinc/23/45/35/562234535.db2.gz JSGYHKGFLABZLV-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000524872545 562236460 /nfs/dbraw/zinc/23/64/60/562236460.db2.gz NOTFPRMCYJNFNF-QWHCGFSZSA-N 1 0 371.459 2.097 20 5 FEBDRO COc1ccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000525032447 562239557 /nfs/dbraw/zinc/23/95/57/562239557.db2.gz PMSTYCDXKKEGLW-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000411167927 558847715 /nfs/dbraw/zinc/84/77/15/558847715.db2.gz MQUDYCMEXTUFQQ-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411341517 558880171 /nfs/dbraw/zinc/88/01/71/558880171.db2.gz CPLAPXGMVICGTD-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000411500655 558906364 /nfs/dbraw/zinc/90/63/64/558906364.db2.gz RXUGDLVDXLJZBW-LBPRGKRZSA-N 1 0 361.402 2.359 20 5 FEBDRO CCO[C@H]1C[C@](CO)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000411609947 558928310 /nfs/dbraw/zinc/92/83/10/558928310.db2.gz MDEFQAIUIWIYNW-MAUKXSAKSA-N 1 0 365.430 2.079 20 5 FEBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000411609949 558928774 /nfs/dbraw/zinc/92/87/74/558928774.db2.gz MDEFQAIUIWIYNW-YJBOKZPZSA-N 1 0 365.430 2.079 20 5 FEBDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617226 558930103 /nfs/dbraw/zinc/93/01/03/558930103.db2.gz KOKKIEBKJKQZAW-NUTKFTJISA-N 1 0 361.398 2.197 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637391 558933647 /nfs/dbraw/zinc/93/36/47/558933647.db2.gz CULUNNIANNYRLF-KGLIPLIRSA-N 1 0 365.430 2.415 20 5 FEBDRO CNC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411683166 558943492 /nfs/dbraw/zinc/94/34/92/558943492.db2.gz QTLKXOSWAHWIJL-QGZVFWFLSA-N 1 0 370.409 2.390 20 5 FEBDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721309 558950185 /nfs/dbraw/zinc/95/01/85/558950185.db2.gz OJTOTXIGEOGSDL-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976341 558998175 /nfs/dbraw/zinc/99/81/75/558998175.db2.gz CZTCKZKPFZIYLA-MSOLQXFVSA-N 1 0 356.426 2.422 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1F ZINC000412414066 559034034 /nfs/dbraw/zinc/03/40/34/559034034.db2.gz FZJPLOYXHPIRIM-LBPRGKRZSA-N 1 0 353.394 2.133 20 5 FEBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413281754 559095139 /nfs/dbraw/zinc/09/51/39/559095139.db2.gz NQOJRAGFYWUXHF-UHFFFAOYSA-N 1 0 373.432 2.383 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000526973802 562271536 /nfs/dbraw/zinc/27/15/36/562271536.db2.gz HQIAPTNHACZBBF-UHFFFAOYSA-N 1 0 371.397 2.030 20 5 FEBDRO Cc1cc(NCCC(C)(C)S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413518809 559113673 /nfs/dbraw/zinc/11/36/73/559113673.db2.gz JPCWXGWUMFRONP-UHFFFAOYSA-N 1 0 351.428 2.499 20 5 FEBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199036 559152854 /nfs/dbraw/zinc/15/28/54/559152854.db2.gz YSKAOPJZVPXHPV-FUHWJXTLSA-N 1 0 364.442 2.472 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414273028 559154709 /nfs/dbraw/zinc/15/47/09/559154709.db2.gz XYICZSPGCSVPTL-LBPRGKRZSA-N 1 0 371.459 2.115 20 5 FEBDRO COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+](C)C1 ZINC000414479922 559167667 /nfs/dbraw/zinc/16/76/67/559167667.db2.gz ADCZFQRUOKFUIG-CQSZACIVSA-N 1 0 373.409 2.391 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414763285 559186203 /nfs/dbraw/zinc/18/62/03/559186203.db2.gz XHMYBBCVQIJCPX-LLVKDONJSA-N 1 0 352.391 2.251 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000414960762 559197274 /nfs/dbraw/zinc/19/72/74/559197274.db2.gz YJEOKURKLWTWGQ-LBPRGKRZSA-N 1 0 368.393 2.322 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000414960748 559197469 /nfs/dbraw/zinc/19/74/69/559197469.db2.gz YJEOKURKLWTWGQ-GFCCVEGCSA-N 1 0 368.393 2.322 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000415254588 559218808 /nfs/dbraw/zinc/21/88/08/559218808.db2.gz KYNSXTABYXCLAY-LBPRGKRZSA-N 1 0 368.393 2.056 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415586002 559252821 /nfs/dbraw/zinc/25/28/21/559252821.db2.gz CIFYNTBYYPZUQL-UHFFFAOYSA-N 1 0 370.409 2.083 20 5 FEBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000416005561 559288733 /nfs/dbraw/zinc/28/87/33/559288733.db2.gz IQPTYSNDWXHRGT-UHFFFAOYSA-N 1 0 354.366 2.493 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000416305400 559304586 /nfs/dbraw/zinc/30/45/86/559304586.db2.gz XGGHOIAYSIGANO-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)c(C)cc1[N+](=O)[O-] ZINC000416470160 559315570 /nfs/dbraw/zinc/31/55/70/559315570.db2.gz GBDXQFUZAUFNKB-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416507900 559318585 /nfs/dbraw/zinc/31/85/85/559318585.db2.gz PKLGZGFXJADFOB-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562445 559322106 /nfs/dbraw/zinc/32/21/06/559322106.db2.gz OKHREXQKBBRFFL-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000416569389 559322399 /nfs/dbraw/zinc/32/23/99/559322399.db2.gz YAZUILZJNZGODY-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417722333 559374016 /nfs/dbraw/zinc/37/40/16/559374016.db2.gz VLWHRLWODPABDT-HNNXBMFYSA-N 1 0 363.462 2.394 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417764015 559375592 /nfs/dbraw/zinc/37/55/92/559375592.db2.gz LJXGJNJVANBWRJ-QGZVFWFLSA-N 1 0 354.410 2.324 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418082481 559389568 /nfs/dbraw/zinc/38/95/68/559389568.db2.gz JFNTWZVPEKULFN-STQMWFEESA-N 1 0 372.429 2.002 20 5 FEBDRO Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420249564 559477637 /nfs/dbraw/zinc/47/76/37/559477637.db2.gz IZGVMZHDGZKGNR-LBPRGKRZSA-N 1 0 358.364 2.406 20 5 FEBDRO [NH3+][C@H]1Cc2ccccc2N([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420398721 559485347 /nfs/dbraw/zinc/48/53/47/559485347.db2.gz GZPRJMBUDAYCFB-KSSFIOAISA-N 1 0 352.394 2.090 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420409759 559486282 /nfs/dbraw/zinc/48/62/82/559486282.db2.gz QTQCGPPALNVSMC-KRWDZBQOSA-N 1 0 370.409 2.188 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420466974 559489047 /nfs/dbraw/zinc/48/90/47/559489047.db2.gz MOIJHFLVNIVEFR-HMKSTLMESA-N 1 0 359.835 2.042 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422555500 559594844 /nfs/dbraw/zinc/59/48/44/559594844.db2.gz QDBPNNMGONRMLX-HONMWMINSA-N 1 0 355.460 2.206 20 5 FEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000423836438 559641999 /nfs/dbraw/zinc/64/19/99/559641999.db2.gz FUKIFTVZPJAOJX-CJNGLKHVSA-N 1 0 355.822 2.397 20 5 FEBDRO CN(CCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH+]cc1 ZINC000527310337 562284783 /nfs/dbraw/zinc/28/47/83/562284783.db2.gz YSUKDNKJXNRTJY-UHFFFAOYSA-N 1 0 356.382 2.106 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424050040 559652622 /nfs/dbraw/zinc/65/26/22/559652622.db2.gz AULIIZAJEHJGTO-IPYPFGDCSA-N 1 0 357.414 2.226 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000424991553 559682577 /nfs/dbraw/zinc/68/25/77/559682577.db2.gz OOOQQBCPFCQEBV-UHFFFAOYSA-N 1 0 360.414 2.259 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000426128133 559730152 /nfs/dbraw/zinc/73/01/52/559730152.db2.gz OULYETJRMNDEBL-NSHDSACASA-N 1 0 361.320 2.104 20 5 FEBDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000427114910 559748326 /nfs/dbraw/zinc/74/83/26/559748326.db2.gz RSSXHKJXHROREV-WCQYABFASA-N 1 0 371.384 2.431 20 5 FEBDRO C[NH+](C)Cc1ccsc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427805428 559762987 /nfs/dbraw/zinc/76/29/87/559762987.db2.gz PCRZPYNPWYYNMY-UHFFFAOYSA-N 1 0 363.443 2.392 20 5 FEBDRO C[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C[NH+]1CCCC1 ZINC000427932968 559765512 /nfs/dbraw/zinc/76/55/12/559765512.db2.gz ZJIXDLCADBJINB-AWEZNQCLSA-N 1 0 372.425 2.370 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000428950552 559786474 /nfs/dbraw/zinc/78/64/74/559786474.db2.gz CHSWXGNJLGHDDU-JSGCOSHPSA-N 1 0 367.471 2.341 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000429476858 559799483 /nfs/dbraw/zinc/79/94/83/559799483.db2.gz ZBEOSVLKXLLCFO-INIZCTEOSA-N 1 0 371.441 2.138 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000430834247 559828920 /nfs/dbraw/zinc/82/89/20/559828920.db2.gz WEDBMJFQCQTBPZ-ZBFHGGJFSA-N 1 0 351.451 2.198 20 5 FEBDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064737 559870943 /nfs/dbraw/zinc/87/09/43/559870943.db2.gz CGWFGDQWERKLLT-RHSMWYFYSA-N 1 0 352.431 2.321 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CCO[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206099 559873653 /nfs/dbraw/zinc/87/36/53/559873653.db2.gz GMVWKRGOLYEFEH-KZULUSFZSA-N 1 0 362.382 2.493 20 5 FEBDRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434493777 559901595 /nfs/dbraw/zinc/90/15/95/559901595.db2.gz VSGFUJHBCSPSBS-ZDUSSCGKSA-N 1 0 364.475 2.047 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000435421414 559922493 /nfs/dbraw/zinc/92/24/93/559922493.db2.gz HUZAMMXCCKWOET-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000435828698 559930722 /nfs/dbraw/zinc/93/07/22/559930722.db2.gz WQNVNBQPZWPLHG-AWEZNQCLSA-N 1 0 365.430 2.176 20 5 FEBDRO COc1cccc(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000436026150 559933845 /nfs/dbraw/zinc/93/38/45/559933845.db2.gz NVKHWEXWXBVYSG-UHFFFAOYSA-N 1 0 360.370 2.191 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000437593156 559966524 /nfs/dbraw/zinc/96/65/24/559966524.db2.gz TXMVYHVPJMCGNW-UNEWFSDZSA-N 1 0 372.425 2.400 20 5 FEBDRO Cc1ccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000440509749 560012999 /nfs/dbraw/zinc/01/29/99/560012999.db2.gz JJLYNWSNLNPJDR-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443331968 560080711 /nfs/dbraw/zinc/08/07/11/560080711.db2.gz WUXDLOYWSJCSEZ-XEZPLFJOSA-N 1 0 365.430 2.413 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000443361652 560081813 /nfs/dbraw/zinc/08/18/13/560081813.db2.gz YUHABBVLLSQGDF-KBPBESRZSA-N 1 0 362.430 2.173 20 5 FEBDRO CCOC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)(N2CCOCC2)C1 ZINC000444012829 560099162 /nfs/dbraw/zinc/09/91/62/560099162.db2.gz MFQGRRDWUYEGPL-UHFFFAOYSA-N 1 0 367.421 2.093 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000445668220 560133771 /nfs/dbraw/zinc/13/37/71/560133771.db2.gz XLPAUQKUFZBJLK-UHFFFAOYSA-N 1 0 371.441 2.480 20 5 FEBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000446896539 560153188 /nfs/dbraw/zinc/15/31/88/560153188.db2.gz OHJXJMXNJCNKNU-GOSISDBHSA-N 1 0 366.414 2.274 20 5 FEBDRO COc1cccc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCOCC2)c1F ZINC000447374976 560160897 /nfs/dbraw/zinc/16/08/97/560160897.db2.gz PFKJIZVHNUFZDV-UHFFFAOYSA-N 1 0 364.377 2.235 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000447513558 560163593 /nfs/dbraw/zinc/16/35/93/560163593.db2.gz XIDRACDLFPZQRS-PXAZEXFGSA-N 1 0 371.441 2.327 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2scnc2C)cc1[N+](=O)[O-] ZINC000449466904 560231268 /nfs/dbraw/zinc/23/12/68/560231268.db2.gz JINXULJHVKDEDF-UHFFFAOYSA-N 1 0 365.411 2.244 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449474438 560231398 /nfs/dbraw/zinc/23/13/98/560231398.db2.gz RXTIZDANNVQDQD-INIZCTEOSA-N 1 0 352.341 2.197 20 5 FEBDRO COc1cc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508780 560232314 /nfs/dbraw/zinc/23/23/14/560232314.db2.gz NRFGAQKMLHKAQP-RDTXWAMCSA-N 1 0 350.415 2.499 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000449618345 560234910 /nfs/dbraw/zinc/23/49/10/560234910.db2.gz BCPLJYWHQZRVGH-VIFPVBQESA-N 1 0 352.135 2.070 20 5 FEBDRO Cn1cc(C(=O)NCCC[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449677434 560236623 /nfs/dbraw/zinc/23/66/23/560236623.db2.gz BCXIJECTDLQEBP-CQSZACIVSA-N 1 0 357.414 2.257 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@@H+]1C1CC1 ZINC000450071310 560249940 /nfs/dbraw/zinc/24/99/40/560249940.db2.gz BBRQMQCOHBILMT-JSGCOSHPSA-N 1 0 355.398 2.136 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2csc(NCC3CC[NH+](CCO)CC3)n2)cc1 ZINC000450314904 560258063 /nfs/dbraw/zinc/25/80/63/560258063.db2.gz VKKZSUXLHXKERQ-UHFFFAOYSA-N 1 0 362.455 2.835 20 5 FEBDRO C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000450806769 560273992 /nfs/dbraw/zinc/27/39/92/560273992.db2.gz FUMBRTDIQXUPRO-CQSZACIVSA-N 1 0 369.425 2.047 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451396268 560304240 /nfs/dbraw/zinc/30/42/40/560304240.db2.gz AXEZVZFYAPKKSP-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451469168 560309019 /nfs/dbraw/zinc/30/90/19/560309019.db2.gz CWRPOGZFFGAQMC-DJIMGWMZSA-N 1 0 350.415 2.272 20 5 FEBDRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546734 560313911 /nfs/dbraw/zinc/31/39/11/560313911.db2.gz JNFNMYFRPWDUER-OAHLLOKOSA-N 1 0 355.460 2.056 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000451850254 560332262 /nfs/dbraw/zinc/33/22/62/560332262.db2.gz WVSCGUHBHQRBNS-AWEZNQCLSA-N 1 0 362.430 2.309 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451940478 560339497 /nfs/dbraw/zinc/33/94/97/560339497.db2.gz LTGDSOKOQNWIER-UHFFFAOYSA-N 1 0 357.410 2.138 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452010744 560345341 /nfs/dbraw/zinc/34/53/41/560345341.db2.gz FKRPXVSOJPQTHD-DJSGYFEHSA-N 1 0 351.403 2.478 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452015578 560345545 /nfs/dbraw/zinc/34/55/45/560345545.db2.gz MLZVUNDCZLCRDS-AXAPSJFSSA-N 1 0 351.403 2.478 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453258001 560384829 /nfs/dbraw/zinc/38/48/29/560384829.db2.gz HLAZRFJHONBKCV-HOCLYGCPSA-N 1 0 351.447 2.491 20 5 FEBDRO CNc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455946464 560501547 /nfs/dbraw/zinc/50/15/47/560501547.db2.gz VQPVKKZUGUOUQJ-OAHLLOKOSA-N 1 0 369.425 2.378 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000457381260 560564441 /nfs/dbraw/zinc/56/44/41/560564441.db2.gz QMZZPSDPULJUPJ-AWEZNQCLSA-N 1 0 360.418 2.233 20 5 FEBDRO CC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514627 560628701 /nfs/dbraw/zinc/62/87/01/560628701.db2.gz RDSLLUHZOHEBQD-SJORKVTESA-N 1 0 364.446 2.192 20 5 FEBDRO CS[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000460347791 560742069 /nfs/dbraw/zinc/74/20/69/560742069.db2.gz CNJPPPYQOKOLQA-IAGOWNOFSA-N 1 0 351.472 2.485 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469057815 560946041 /nfs/dbraw/zinc/94/60/41/560946041.db2.gz UHKUIRSBWROVNH-QWHCGFSZSA-N 1 0 371.459 2.145 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000469163370 560948847 /nfs/dbraw/zinc/94/88/47/560948847.db2.gz IEHCNACNZXFLCH-QWHCGFSZSA-N 1 0 371.459 2.097 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000470912744 560993871 /nfs/dbraw/zinc/99/38/71/560993871.db2.gz IWJPRNDKIJHVQJ-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2ncccc12)NC1CC[NH+](C2CC2)CC1 ZINC000471899803 561014026 /nfs/dbraw/zinc/01/40/26/561014026.db2.gz YLOZFHCXYLXYHR-UHFFFAOYSA-N 1 0 370.409 2.265 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473999465 561063215 /nfs/dbraw/zinc/06/32/15/561063215.db2.gz FIYMKYHPPHACTG-ZIAGYGMSSA-N 1 0 366.414 2.441 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004447 561063365 /nfs/dbraw/zinc/06/33/65/561063365.db2.gz GOXZYOVEDAHONN-LQAWEQHXSA-N 1 0 366.414 2.296 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000474005524 561063404 /nfs/dbraw/zinc/06/34/04/561063404.db2.gz AOXAAHTZYKRXKK-AWEZNQCLSA-N 1 0 352.387 2.195 20 5 FEBDRO COC(=O)COc1ccc(CN[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365401 561072278 /nfs/dbraw/zinc/07/22/78/561072278.db2.gz AQBLBOOFYSKJPX-HUUCEWRRSA-N 1 0 365.430 2.109 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000475293122 561094248 /nfs/dbraw/zinc/09/42/48/561094248.db2.gz WHVMBJFADCYJIZ-QGZVFWFLSA-N 1 0 352.387 2.148 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000475698581 561102590 /nfs/dbraw/zinc/10/25/90/561102590.db2.gz JCFYBQWWMNOPAO-UHFFFAOYSA-N 1 0 352.387 2.005 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000475723531 561103545 /nfs/dbraw/zinc/10/35/45/561103545.db2.gz XPZWJCNHSMUBGG-UHFFFAOYSA-N 1 0 374.397 2.249 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000476318258 561116422 /nfs/dbraw/zinc/11/64/22/561116422.db2.gz AIARPOOBAUNRLU-OAHLLOKOSA-N 1 0 363.458 2.081 20 5 FEBDRO CN1CC[NH+](CCCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000531881949 562459919 /nfs/dbraw/zinc/45/99/19/562459919.db2.gz PJSJTUQXKNDYLV-UHFFFAOYSA-N 1 0 372.267 2.192 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165060 562469351 /nfs/dbraw/zinc/46/93/51/562469351.db2.gz QEGOCJPBLBWKBR-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000533265080 562503099 /nfs/dbraw/zinc/50/30/99/562503099.db2.gz LJUAMABUJOUUBO-CQSZACIVSA-N 1 0 362.430 2.209 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533498593 562510884 /nfs/dbraw/zinc/51/08/84/562510884.db2.gz XMFQRTFOGJCVEU-ZDUSSCGKSA-N 1 0 370.475 2.165 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])C2)CC1 ZINC000534420758 562533839 /nfs/dbraw/zinc/53/38/39/562533839.db2.gz QBULRUXZVBLVJT-ZDUSSCGKSA-N 1 0 357.414 2.412 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000535015520 562547932 /nfs/dbraw/zinc/54/79/32/562547932.db2.gz UMMAVIJZNHGGHX-CYBMUJFWSA-N 1 0 367.471 2.405 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536509130 562577324 /nfs/dbraw/zinc/57/73/24/562577324.db2.gz DGTNQOSPJFWQFC-SRCQZFHVSA-N 1 0 372.425 2.400 20 5 FEBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000536834914 562581257 /nfs/dbraw/zinc/58/12/57/562581257.db2.gz SQUFVXBQKNCISB-HNNXBMFYSA-N 1 0 369.487 2.223 20 5 FEBDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000541982978 562625016 /nfs/dbraw/zinc/62/50/16/562625016.db2.gz GWBGQIBQJMHSKX-QGZVFWFLSA-N 1 0 373.409 2.428 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546164231 562634587 /nfs/dbraw/zinc/63/45/87/562634587.db2.gz CLYKGEYUVBGWCJ-UHOFOFEASA-N 1 0 351.403 2.096 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000568077117 567845775 /nfs/dbraw/zinc/84/57/75/567845775.db2.gz DWJFBIWOVHUNPP-INIZCTEOSA-N 1 0 364.373 2.410 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602888741 568006517 /nfs/dbraw/zinc/00/65/17/568006517.db2.gz BYOYJZMIVSDICF-INIZCTEOSA-N 1 0 351.472 2.235 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000569214566 568312613 /nfs/dbraw/zinc/31/26/13/568312613.db2.gz PGKMRYBVNRBVBJ-ZDUSSCGKSA-N 1 0 362.407 2.134 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000569514447 568404536 /nfs/dbraw/zinc/40/45/36/568404536.db2.gz DCDXLQKWSCOWQS-CZUORRHYSA-N 1 0 364.421 2.101 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925375 674428101 /nfs/dbraw/zinc/42/81/01/674428101.db2.gz RSQCPRCMSGNCFH-RDJZCZTQSA-N 1 0 367.471 2.376 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000557347189 674446166 /nfs/dbraw/zinc/44/61/66/674446166.db2.gz FTGPHHIRUXSHDE-JKSUJKDBSA-N 1 0 367.471 2.452 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370190 599534352 /nfs/dbraw/zinc/53/43/52/599534352.db2.gz NUNLCTYFUNXVPZ-UHFFFAOYSA-N 1 0 357.418 2.230 20 5 FEBDRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808802085 674472821 /nfs/dbraw/zinc/47/28/21/674472821.db2.gz GMSKARXSQLGZIK-AWEZNQCLSA-N 1 0 369.219 2.219 20 5 FEBDRO CSC1(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000558598853 674505900 /nfs/dbraw/zinc/50/59/00/674505900.db2.gz HYZBETOWEVOAEO-UHFFFAOYSA-N 1 0 373.500 2.238 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820686574 606699609 /nfs/dbraw/zinc/69/96/09/606699609.db2.gz YKMXGSBRQQSZEQ-XQQFMLRXSA-N 1 0 372.433 2.012 20 5 FEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000823621168 607163619 /nfs/dbraw/zinc/16/36/19/607163619.db2.gz XSGHMKQIPCHKEI-GFCCVEGCSA-N 1 0 370.373 2.012 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000561552444 674678845 /nfs/dbraw/zinc/67/88/45/674678845.db2.gz QPYLMNSDTMWGDE-XJKSGUPXSA-N 1 0 367.471 2.405 20 5 FEBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000562975813 674829659 /nfs/dbraw/zinc/82/96/59/674829659.db2.gz YLRNCAHPOLKJFS-HNNXBMFYSA-N 1 0 359.329 2.062 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000563066915 674843142 /nfs/dbraw/zinc/84/31/42/674843142.db2.gz CPNUAJSUENUBAL-CQSZACIVSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(COc1cccc(Cl)c1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000814773696 674879132 /nfs/dbraw/zinc/87/91/32/674879132.db2.gz NGLYFAZTFVCURB-UHFFFAOYSA-N 1 0 353.806 2.370 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010722 674895229 /nfs/dbraw/zinc/89/52/29/674895229.db2.gz XEPSYVYGMAFLMO-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO Cc1nc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001048607565 675011584 /nfs/dbraw/zinc/01/15/84/675011584.db2.gz WUNMWQHKKSDMPI-RRCSTGOVSA-N 1 0 366.487 2.129 20 5 FEBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000564835313 675066322 /nfs/dbraw/zinc/06/63/22/675066322.db2.gz FUAZDJOKQAONLY-OAHLLOKOSA-N 1 0 361.345 2.308 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1SC ZINC000564836170 675066358 /nfs/dbraw/zinc/06/63/58/675066358.db2.gz JUHYRIFBAZLYFT-MRXNPFEDSA-N 1 0 353.444 2.445 20 5 FEBDRO COc1ccc(CSCC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000564838275 675066599 /nfs/dbraw/zinc/06/65/99/675066599.db2.gz DYMBCTGVOBACFA-AWEZNQCLSA-N 1 0 367.471 2.485 20 5 FEBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857744 675069198 /nfs/dbraw/zinc/06/91/98/675069198.db2.gz XXLPJTLFAFBHBM-OWCLPIDISA-N 1 0 351.447 2.187 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000069617940 670487192 /nfs/dbraw/zinc/48/71/92/670487192.db2.gz ZWSOFHWMUMRBME-UHFFFAOYSA-N 1 0 350.375 2.499 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1SC ZINC000570835639 670775976 /nfs/dbraw/zinc/77/59/76/670775976.db2.gz PKUHDJQDNVTHPX-HFBDOXOYSA-N 1 0 353.444 2.442 20 5 FEBDRO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565718178 675146388 /nfs/dbraw/zinc/14/63/88/675146388.db2.gz IGQGJOQXCMLDDN-UHFFFAOYSA-N 1 0 364.199 2.213 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400447 670890620 /nfs/dbraw/zinc/89/06/20/670890620.db2.gz IHGOWUGYSVJUKZ-VXGBXAGGSA-N 1 0 355.822 2.426 20 5 FEBDRO COc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000565892855 675158958 /nfs/dbraw/zinc/15/89/58/675158958.db2.gz WFDXYMCKYYMCOY-UHFFFAOYSA-N 1 0 371.459 2.133 20 5 FEBDRO CCOc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000572511267 671011337 /nfs/dbraw/zinc/01/13/37/671011337.db2.gz HZUXVZUORMLELH-WCQYABFASA-N 1 0 351.403 2.344 20 5 FEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000566009835 675167683 /nfs/dbraw/zinc/16/76/83/675167683.db2.gz NKZYHJVCAHZCHO-WDEREUQCSA-N 1 0 350.419 2.073 20 5 FEBDRO CCOc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000573111111 671084275 /nfs/dbraw/zinc/08/42/75/671084275.db2.gz UAJQWWMXAAWOOJ-LBPRGKRZSA-N 1 0 351.403 2.346 20 5 FEBDRO CO[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000566099139 675180430 /nfs/dbraw/zinc/18/04/30/675180430.db2.gz OECDHOYNSCUQKM-GHMZBOCLSA-N 1 0 361.320 2.192 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000574328098 671227400 /nfs/dbraw/zinc/22/74/00/671227400.db2.gz SHXRRAHKAHCWFS-CHWSQXEVSA-N 1 0 371.459 2.097 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000817863803 675183652 /nfs/dbraw/zinc/18/36/52/675183652.db2.gz RBDYQIYQLNENNU-DLOVCJGASA-N 1 0 359.423 2.036 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000575401316 671312227 /nfs/dbraw/zinc/31/22/27/671312227.db2.gz SMSOADXCGJSGAX-CVEARBPZSA-N 1 0 367.471 2.452 20 5 FEBDRO COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000576399236 671365953 /nfs/dbraw/zinc/36/59/53/671365953.db2.gz JCSZQTYFGNGGLG-UHFFFAOYSA-N 1 0 365.411 2.466 20 5 FEBDRO CSC1(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000577908971 671627982 /nfs/dbraw/zinc/62/79/82/671627982.db2.gz UZJOAPVENZKLCM-UHFFFAOYSA-N 1 0 366.487 2.264 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000578669761 671681450 /nfs/dbraw/zinc/68/14/50/671681450.db2.gz SPKAGJDFORROIN-GHMZBOCLSA-N 1 0 358.236 2.497 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000578758228 671687972 /nfs/dbraw/zinc/68/79/72/671687972.db2.gz BCEINTNBXKYYBN-GXTWGEPZSA-N 1 0 367.471 2.470 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccccc2C(F)(F)F)c1 ZINC000579343625 671728828 /nfs/dbraw/zinc/72/88/28/671728828.db2.gz GXBWEFLQPMMMEX-CYBMUJFWSA-N 1 0 358.320 2.003 20 5 FEBDRO COc1ccc(CC(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000580323057 671797828 /nfs/dbraw/zinc/79/78/28/671797828.db2.gz CHXORXRCQPDESG-JTQLQIEISA-N 1 0 362.411 2.057 20 5 FEBDRO C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610025770 675947938 /nfs/dbraw/zinc/94/79/38/675947938.db2.gz IGQBSPYHUHBBMP-CYBMUJFWSA-N 1 0 350.419 2.003 20 5 FEBDRO CC(C)Oc1nc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000581142309 671867523 /nfs/dbraw/zinc/86/75/23/671867523.db2.gz LOHBCTHOYRRNQC-ZDUSSCGKSA-N 1 0 352.435 2.058 20 5 FEBDRO CN(C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000581186700 671871284 /nfs/dbraw/zinc/87/12/84/671871284.db2.gz XBQRRWWZWFFSFK-INIZCTEOSA-N 1 0 371.503 2.325 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118114709 671883437 /nfs/dbraw/zinc/88/34/37/671883437.db2.gz MGNIOJGRPNEYBW-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cc(F)ccc2F)cc1 ZINC000581543437 671909222 /nfs/dbraw/zinc/90/92/22/671909222.db2.gz GJVBOZLONVEWKW-UHFFFAOYSA-N 1 0 370.377 2.479 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000582845667 672039395 /nfs/dbraw/zinc/03/93/95/672039395.db2.gz GPSJXANNMPHORU-WCFLWFBJSA-N 1 0 352.822 2.246 20 5 FEBDRO CSc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+](C)C)cc1 ZINC000583586624 672109332 /nfs/dbraw/zinc/10/93/32/672109332.db2.gz BICKAVCFEXDWLH-CYBMUJFWSA-N 1 0 363.443 2.083 20 5 FEBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853102 672363987 /nfs/dbraw/zinc/36/39/87/672363987.db2.gz JOPVJLQUERFAFT-UHFFFAOYSA-N 1 0 353.423 2.123 20 5 FEBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611087346 676016293 /nfs/dbraw/zinc/01/62/93/676016293.db2.gz BGWQAVNJKQGVRE-NSHDSACASA-N 1 0 370.247 2.452 20 5 FEBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000178934003 672397259 /nfs/dbraw/zinc/39/72/59/672397259.db2.gz ZKMFKFHRNQCLEZ-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863080 672486776 /nfs/dbraw/zinc/48/67/76/672486776.db2.gz OWAJLWLANPWZAZ-ZIAGYGMSSA-N 1 0 361.423 2.091 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000611201667 676024621 /nfs/dbraw/zinc/02/46/21/676024621.db2.gz WTJUFBQJDJQXKT-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000589310490 672521390 /nfs/dbraw/zinc/52/13/90/672521390.db2.gz FFGHNRZLBAIFEU-DZGCQCFKSA-N 1 0 367.471 2.455 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000589477595 672528190 /nfs/dbraw/zinc/52/81/90/672528190.db2.gz OBFMGYXQAGFAIL-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590068738 672557601 /nfs/dbraw/zinc/55/76/01/672557601.db2.gz ZEADQMWTGLCNLH-LBPRGKRZSA-N 1 0 351.403 2.008 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591127 672594059 /nfs/dbraw/zinc/59/40/59/672594059.db2.gz JTSCTMHLRQUKQF-YPMHNXCESA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000591306396 672667685 /nfs/dbraw/zinc/66/76/85/672667685.db2.gz KOLYLUOATNBCQL-ABAIWWIYSA-N 1 0 350.419 2.472 20 5 FEBDRO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592184482 672768385 /nfs/dbraw/zinc/76/83/85/672768385.db2.gz MEQUTBGBTVBLBA-CQSZACIVSA-N 1 0 361.320 2.104 20 5 FEBDRO CC1([NH3+])CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592380420 672794743 /nfs/dbraw/zinc/79/47/43/672794743.db2.gz VKFRLDDEMSTWJF-UHFFFAOYSA-N 1 0 368.242 2.404 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592390619 672796795 /nfs/dbraw/zinc/79/67/95/672796795.db2.gz MBCBICUTIKHZKO-LSDHHAIUSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592391126 672796855 /nfs/dbraw/zinc/79/68/55/672796855.db2.gz VMUBCQJCPMELRJ-CABCVRRESA-N 1 0 367.471 2.304 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000592544319 672812967 /nfs/dbraw/zinc/81/29/67/672812967.db2.gz BUDOYCXBEJBJSW-AAEUAGOBSA-N 1 0 351.403 2.202 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593666776 672974666 /nfs/dbraw/zinc/97/46/66/672974666.db2.gz RLMAJQIQSXVZSS-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593729934 672983910 /nfs/dbraw/zinc/98/39/10/672983910.db2.gz KDKVCKVXLHGYCT-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c1C ZINC000593730641 672984031 /nfs/dbraw/zinc/98/40/31/672984031.db2.gz VRIFIQFYBVFKJB-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO COc1ccc(CSCC(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593915426 673007914 /nfs/dbraw/zinc/00/79/14/673007914.db2.gz XUYOQDSLCQVEHY-UHFFFAOYSA-N 1 0 353.444 2.082 20 5 FEBDRO C[C@@H](CC1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576184 676088392 /nfs/dbraw/zinc/08/83/92/676088392.db2.gz SHOGBDWOPZXSIL-ZDUSSCGKSA-N 1 0 356.444 2.163 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000612630529 676091011 /nfs/dbraw/zinc/09/10/11/676091011.db2.gz KQASIJSWFJFPPG-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450869 673073946 /nfs/dbraw/zinc/07/39/46/673073946.db2.gz CFVKLUFIYDNQFS-SECBINFHSA-N 1 0 357.741 2.346 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594483530 673087197 /nfs/dbraw/zinc/08/71/97/673087197.db2.gz NCOHXUAZQXWTLM-GOEBONIOSA-N 1 0 353.444 2.031 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594768227 673135841 /nfs/dbraw/zinc/13/58/41/673135841.db2.gz VDZVPIUMUGCBNA-UHFFFAOYSA-N 1 0 370.475 2.265 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000594982956 673183022 /nfs/dbraw/zinc/18/30/22/673183022.db2.gz DGFFIQIUTQENNE-GXTWGEPZSA-N 1 0 352.387 2.194 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595114379 673195594 /nfs/dbraw/zinc/19/55/94/673195594.db2.gz YWCDYPDHGSCFHQ-ZDUSSCGKSA-N 1 0 371.434 2.134 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424021218 673202974 /nfs/dbraw/zinc/20/29/74/673202974.db2.gz BADNOIPWSIWHHX-INIZCTEOSA-N 1 0 353.806 2.372 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC000595345162 673228593 /nfs/dbraw/zinc/22/85/93/673228593.db2.gz NHWPKJBJENKMTF-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000595471753 673255454 /nfs/dbraw/zinc/25/54/54/673255454.db2.gz PONQHWQTAMPNEK-ZDUSSCGKSA-N 1 0 350.419 2.275 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595500850 673258452 /nfs/dbraw/zinc/25/84/52/673258452.db2.gz MMFNXPAPVOZTKB-AWEZNQCLSA-N 1 0 350.419 2.146 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462584264 673265884 /nfs/dbraw/zinc/26/58/84/673265884.db2.gz ZUMFFSFDCJRWGX-OAHLLOKOSA-N 1 0 367.471 2.446 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)C2(CO)CCOCC2)cc1 ZINC000595596204 673271332 /nfs/dbraw/zinc/27/13/32/673271332.db2.gz LXIFCZJZADVOTP-QGZVFWFLSA-N 1 0 350.415 2.131 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000595937202 673341913 /nfs/dbraw/zinc/34/19/13/673341913.db2.gz SYKQWVIKZWFSGT-GFCCVEGCSA-N 1 0 350.394 2.168 20 5 FEBDRO COCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596076515 673356421 /nfs/dbraw/zinc/35/64/21/673356421.db2.gz GOORXCLQFJRJOL-UHFFFAOYSA-N 1 0 371.821 2.193 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C1CC1)[NH+](C)C ZINC000596115885 673360246 /nfs/dbraw/zinc/36/02/46/673360246.db2.gz XOSKEVGSKAIXEW-OAHLLOKOSA-N 1 0 370.475 2.035 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000596121271 673360816 /nfs/dbraw/zinc/36/08/16/673360816.db2.gz YSQLZSCNVOCVFX-ZDUSSCGKSA-N 1 0 370.475 2.037 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596157867 673363983 /nfs/dbraw/zinc/36/39/83/673363983.db2.gz IKKNCKTXIQAVSF-ZDUSSCGKSA-N 1 0 353.854 2.248 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596315113 673376754 /nfs/dbraw/zinc/37/67/54/673376754.db2.gz CDMGAESCMUWEHL-UHFFFAOYSA-N 1 0 351.451 2.423 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596371570 673380192 /nfs/dbraw/zinc/38/01/92/673380192.db2.gz XRFPRXQILCQZCA-CQSZACIVSA-N 1 0 351.451 2.345 20 5 FEBDRO COC(=O)c1cc(NCCN2C[C@@H](C)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427232 673384318 /nfs/dbraw/zinc/38/43/18/673384318.db2.gz DNJPWJIUWPSUSO-CHWSQXEVSA-N 1 0 351.403 2.211 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000733299388 673407631 /nfs/dbraw/zinc/40/76/31/673407631.db2.gz CNCWUGACRLKTRS-CYBMUJFWSA-N 1 0 352.391 2.271 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537964766 673415511 /nfs/dbraw/zinc/41/55/11/673415511.db2.gz CRQHQQBFGHBXOS-CYBMUJFWSA-N 1 0 355.460 2.368 20 5 FEBDRO C[C@H](O)C1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000597234432 673458948 /nfs/dbraw/zinc/45/89/48/673458948.db2.gz LISRJUPHSQCECS-QMMMGPOBSA-N 1 0 362.167 2.202 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000734308886 673459712 /nfs/dbraw/zinc/45/97/12/673459712.db2.gz JYWRXOIAUVJGEW-UHFFFAOYSA-N 1 0 352.460 2.070 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000597697209 673500260 /nfs/dbraw/zinc/50/02/60/673500260.db2.gz DSAZLXBDXSNOSH-IUODEOHRSA-N 1 0 367.471 2.498 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598613001 673590506 /nfs/dbraw/zinc/59/05/06/673590506.db2.gz UPXWQWAFQGJKCP-OCCSQVGLSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598619394 673591396 /nfs/dbraw/zinc/59/13/96/673591396.db2.gz RFRVPDWBOAXHRL-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000598714963 673602631 /nfs/dbraw/zinc/60/26/31/673602631.db2.gz LDOICTAXAQMHKB-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000542769389 673603941 /nfs/dbraw/zinc/60/39/41/673603941.db2.gz WKGAHFLIFZLTCG-JKSUJKDBSA-N 1 0 365.455 2.012 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000599108265 673634026 /nfs/dbraw/zinc/63/40/26/673634026.db2.gz VCFRQCAMQMXSQB-WDEREUQCSA-N 1 0 367.349 2.032 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000543423372 673646457 /nfs/dbraw/zinc/64/64/57/673646457.db2.gz STXFDHZFKXLISE-MGPQQGTHSA-N 1 0 355.460 2.287 20 5 FEBDRO CN(C)c1ccccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543619644 673656540 /nfs/dbraw/zinc/65/65/40/673656540.db2.gz JEFTUQRHLKOKPN-UHFFFAOYSA-N 1 0 363.439 2.224 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544406 673690140 /nfs/dbraw/zinc/69/01/40/673690140.db2.gz GAHCWBWFVYNKJD-INIZCTEOSA-N 1 0 350.415 2.357 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000742412342 673726987 /nfs/dbraw/zinc/72/69/87/673726987.db2.gz PMJRZEPIBNCJAH-UWVGGRQHSA-N 1 0 352.347 2.184 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600035410 673736215 /nfs/dbraw/zinc/73/62/15/673736215.db2.gz NVVXTBQNNDNBBH-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105287 673741039 /nfs/dbraw/zinc/74/10/39/673741039.db2.gz JQXMMRJLBPNGBW-UHFFFAOYSA-N 1 0 367.833 2.114 20 5 FEBDRO CC1=CCN(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000545832405 673776993 /nfs/dbraw/zinc/77/69/93/673776993.db2.gz NMXVZABKFJSINU-UHFFFAOYSA-N 1 0 359.835 2.179 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000546093758 673791725 /nfs/dbraw/zinc/79/17/25/673791725.db2.gz ZWYMKUJUPDOZTR-KGLIPLIRSA-N 1 0 355.460 2.277 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000600757861 673796883 /nfs/dbraw/zinc/79/68/83/673796883.db2.gz TYXUBQPFBUZRQN-ZBFHGGJFSA-N 1 0 350.806 2.473 20 5 FEBDRO COc1cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600777459 673798192 /nfs/dbraw/zinc/79/81/92/673798192.db2.gz UJODETCHLNNXFY-PWSUYJOCSA-N 1 0 359.373 2.477 20 5 FEBDRO C[NH2+]C1(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CCC1 ZINC000600824709 673801769 /nfs/dbraw/zinc/80/17/69/673801769.db2.gz NKGSJVJKBUNTPW-UHFFFAOYSA-N 1 0 359.329 2.077 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000601131645 673827674 /nfs/dbraw/zinc/82/76/74/673827674.db2.gz OFFYVGAYIFCXHC-SNVBAGLBSA-N 1 0 363.340 2.012 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601343122 673845425 /nfs/dbraw/zinc/84/54/25/673845425.db2.gz JHENCMXNKBXTPQ-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO Cc1ccc([C@@H](C)NS(=O)(=O)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000601364009 673848878 /nfs/dbraw/zinc/84/88/78/673848878.db2.gz CSODDDOFDRVPQL-CQSZACIVSA-N 1 0 355.460 2.370 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])s1 ZINC000601369707 673849698 /nfs/dbraw/zinc/84/96/98/673849698.db2.gz PFLSALHQFHJJME-UHFFFAOYSA-N 1 0 373.456 2.310 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601374105 673850802 /nfs/dbraw/zinc/85/08/02/673850802.db2.gz ALDZRYBPFOUKAD-RYUDHWBXSA-N 1 0 359.473 2.070 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000601973873 673900582 /nfs/dbraw/zinc/90/05/82/673900582.db2.gz DJJULXRWMRDABS-GASCZTMLSA-N 1 0 368.231 2.429 20 5 FEBDRO CC(C)NC(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602510495 673906896 /nfs/dbraw/zinc/90/68/96/673906896.db2.gz WWJFWJMSBGGUJK-UHFFFAOYSA-N 1 0 350.238 2.423 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000602531741 673907455 /nfs/dbraw/zinc/90/74/55/673907455.db2.gz IZXOABUBHSFHKX-NSHDSACASA-N 1 0 354.204 2.372 20 5 FEBDRO C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602569383 673907953 /nfs/dbraw/zinc/90/79/53/673907953.db2.gz QWVFKHFBJLEDJY-ZETCQYMHSA-N 1 0 371.278 2.332 20 5 FEBDRO C[C@H]1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555260 673908050 /nfs/dbraw/zinc/90/80/50/673908050.db2.gz PTPPUXMNMQYISJ-UWVGGRQHSA-N 1 0 361.320 2.406 20 5 FEBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000602583098 673908409 /nfs/dbraw/zinc/90/84/09/673908409.db2.gz PQLOKPORDIMQKY-ZDUSSCGKSA-N 1 0 367.833 2.479 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@]2(CCO)CCOC2)cc1Br ZINC000602636547 673909152 /nfs/dbraw/zinc/90/91/52/673909152.db2.gz IPBYOZPKBWIODM-LLVKDONJSA-N 1 0 351.222 2.050 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818589587 675226544 /nfs/dbraw/zinc/22/65/44/675226544.db2.gz DLRQHXQQDDPXLV-XPLICSAQSA-N 1 0 350.375 2.236 20 5 FEBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818613390 675228394 /nfs/dbraw/zinc/22/83/94/675228394.db2.gz NJKFUNQHNVVYEJ-NHCYSSNCSA-N 1 0 350.375 2.257 20 5 FEBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567150628 675271029 /nfs/dbraw/zinc/27/10/29/675271029.db2.gz JZTABWLVDZNZRW-DTWKUNHWSA-N 1 0 364.183 2.448 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000820595503 675372665 /nfs/dbraw/zinc/37/26/65/675372665.db2.gz MVIHZAHWYAZRHB-ONGXEEELSA-N 1 0 363.386 2.120 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000820595502 675372683 /nfs/dbraw/zinc/37/26/83/675372683.db2.gz MVIHZAHWYAZRHB-MWLCHTKSSA-N 1 0 363.386 2.120 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824904063 675628111 /nfs/dbraw/zinc/62/81/11/675628111.db2.gz TXOQFSHOICZNML-KAMYIIQDSA-N 1 0 368.455 2.182 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825878050 675672395 /nfs/dbraw/zinc/67/23/95/675672395.db2.gz ZHRYGRDNUSLQEW-LBPRGKRZSA-N 1 0 352.410 2.404 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000825915229 675674088 /nfs/dbraw/zinc/67/40/88/675674088.db2.gz MWCUWVFWHCGDCQ-LLVKDONJSA-N 1 0 368.821 2.230 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930368 675801939 /nfs/dbraw/zinc/80/19/39/675801939.db2.gz RUVGEDFLVSKCDU-ZDUSSCGKSA-N 1 0 370.475 2.166 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000616091189 676239402 /nfs/dbraw/zinc/23/94/02/676239402.db2.gz RAAGDQOEWYJKJI-GXTWGEPZSA-N 1 0 352.387 2.051 20 5 FEBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000618305597 676329999 /nfs/dbraw/zinc/32/99/99/676329999.db2.gz HZKCCTQNULOXDR-HZPDHXFCSA-N 1 0 361.471 2.483 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000619482527 676379936 /nfs/dbraw/zinc/37/99/36/676379936.db2.gz NBBIPZYNKHFEIS-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)C2CCOCC2)c1Br ZINC000839554217 680761112 /nfs/dbraw/zinc/76/11/12/680761112.db2.gz ZPZBFBOAVWCOBN-LBPRGKRZSA-N 1 0 359.220 2.234 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000765796057 680855642 /nfs/dbraw/zinc/85/56/42/680855642.db2.gz MBIOFVKHYKIGJY-JQWIXIFHSA-N 1 0 356.220 2.362 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849850 680857397 /nfs/dbraw/zinc/85/73/97/680857397.db2.gz RSNPDAHEMAPVQM-SJCJKPOMSA-N 1 0 364.423 2.383 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747962729 679916378 /nfs/dbraw/zinc/91/63/78/679916378.db2.gz SDCSJPPBIRJIOS-UHFFFAOYSA-N 1 0 355.439 2.274 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749996061 680093897 /nfs/dbraw/zinc/09/38/97/680093897.db2.gz FIDCSAJZPJGHCV-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139577 680101006 /nfs/dbraw/zinc/10/10/06/680101006.db2.gz GNVSDXCJMCKGHD-AAVRWANBSA-N 1 0 358.225 2.395 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000834564382 680242539 /nfs/dbraw/zinc/24/25/39/680242539.db2.gz JVUGKCFDJOCCCR-MRXNPFEDSA-N 1 0 355.822 2.085 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000834775414 680266125 /nfs/dbraw/zinc/26/61/25/680266125.db2.gz LZEXJGYIJPMEOT-HAQNSBGRSA-N 1 0 350.375 2.306 20 5 FEBDRO CCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001034643560 680436585 /nfs/dbraw/zinc/43/65/85/680436585.db2.gz PGBJIICCCZFBBF-QHSBEEBCSA-N 1 0 366.487 2.278 20 5 FEBDRO C[N@H+](Cc1cc(F)cc(F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430989 680447545 /nfs/dbraw/zinc/44/75/45/680447545.db2.gz LFRBMIYUSMUTLW-HZPDHXFCSA-N 1 0 353.369 2.053 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836749852 680507452 /nfs/dbraw/zinc/50/74/52/680507452.db2.gz GDANFHGDWSYQIL-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000766458732 680877694 /nfs/dbraw/zinc/87/76/94/680877694.db2.gz KCYIPFXOEKWECI-AWEZNQCLSA-N 1 0 373.203 2.169 20 5 FEBDRO C[N@H+](CCCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841527174 680892210 /nfs/dbraw/zinc/89/22/10/680892210.db2.gz HQCWGHUBOLGLJY-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841856769 680914913 /nfs/dbraw/zinc/91/49/13/680914913.db2.gz AVXHGDUQKROHQS-GMXVVIOVSA-N 1 0 352.822 2.436 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842485034 680950373 /nfs/dbraw/zinc/95/03/73/680950373.db2.gz LBLSARGFNXDIDI-CQSZACIVSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842485428 680950533 /nfs/dbraw/zinc/95/05/33/680950533.db2.gz OIEJTNOJDZMCBV-AWEZNQCLSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842486148 680950534 /nfs/dbraw/zinc/95/05/34/680950534.db2.gz SXWMAXSGMVWVOU-MWLCHTKSSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000842726872 680962433 /nfs/dbraw/zinc/96/24/33/680962433.db2.gz QHNGDSGCUNDJTC-GHMZBOCLSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC[C@H]1[NH3+] ZINC000842797030 680967607 /nfs/dbraw/zinc/96/76/07/680967607.db2.gz DIWMMDZOIDXQRO-ZYHUDNBSSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC[C@@H]1[NH3+] ZINC000842798261 680967689 /nfs/dbraw/zinc/96/76/89/680967689.db2.gz OULCKDSTJQUTFC-MNOVXSKESA-N 1 0 361.851 2.305 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000842860189 680971696 /nfs/dbraw/zinc/97/16/96/680971696.db2.gz ADQPMHSGUMRMME-UHFFFAOYSA-N 1 0 359.423 2.264 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000842895213 680974045 /nfs/dbraw/zinc/97/40/45/680974045.db2.gz LBACBPDIAWNEHD-LLVKDONJSA-N 1 0 361.851 2.367 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000843065269 680985462 /nfs/dbraw/zinc/98/54/62/680985462.db2.gz KIVYTCAYCKWHBV-DYVFJYSZSA-N 1 0 366.801 2.311 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)cc1 ZINC000843116960 680988640 /nfs/dbraw/zinc/98/86/40/680988640.db2.gz XEKQYRIOPLITLR-SJCJKPOMSA-N 1 0 365.817 2.117 20 5 FEBDRO COC(=O)C[C@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770707819 681024878 /nfs/dbraw/zinc/02/48/78/681024878.db2.gz NQQIDIOPGJXKHC-QGZVFWFLSA-N 1 0 352.387 2.066 20 5 FEBDRO CCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001050325375 681045129 /nfs/dbraw/zinc/04/51/29/681045129.db2.gz ARLMZGQJFVZOST-QHSBEEBCSA-N 1 0 366.487 2.135 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771504292 681057617 /nfs/dbraw/zinc/05/76/17/681057617.db2.gz RDWJXFIFVRPWKY-UHFFFAOYSA-N 1 0 363.443 2.451 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000773064305 681123605 /nfs/dbraw/zinc/12/36/05/681123605.db2.gz FTBQGDGBKOOVFD-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774170289 681171227 /nfs/dbraw/zinc/17/12/27/681171227.db2.gz YEIWFDTWIUOKNZ-BFHYXJOUSA-N 1 0 351.407 2.095 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932509410 681258444 /nfs/dbraw/zinc/25/84/44/681258444.db2.gz MZJSIMRWFGIBMG-CQSZACIVSA-N 1 0 351.451 2.117 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000846986670 681317261 /nfs/dbraw/zinc/31/72/61/681317261.db2.gz CKLSDQAGAAGQDL-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO CC[N@H+](C)C[C@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997555 681318353 /nfs/dbraw/zinc/31/83/53/681318353.db2.gz UOSIHLNMWBMXJO-NOZJJQNGSA-N 1 0 353.316 2.240 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775815101 681338385 /nfs/dbraw/zinc/33/83/85/681338385.db2.gz ISOBJUJWOPFGCA-DUVNUKRYSA-N 1 0 351.403 2.085 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847257257 681354259 /nfs/dbraw/zinc/35/42/59/681354259.db2.gz VUZLMALYROZIIQ-GDBMZVCRSA-N 1 0 351.378 2.246 20 5 FEBDRO COC1CC[NH+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000934303488 681548421 /nfs/dbraw/zinc/54/84/21/681548421.db2.gz DMQDYQDBJPKDIM-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849111829 681655606 /nfs/dbraw/zinc/65/56/06/681655606.db2.gz HLUDMBYWUBNJLC-UHFFFAOYSA-N 1 0 371.825 2.387 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000849430098 681731122 /nfs/dbraw/zinc/73/11/22/681731122.db2.gz ZVFJEMIPQCTLTM-QMMMGPOBSA-N 1 0 353.803 2.006 20 5 FEBDRO COc1cc(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1F ZINC000913277198 685474935 /nfs/dbraw/zinc/47/49/35/685474935.db2.gz RPHOFNIUABNEDK-CALCHBBNSA-N 1 0 351.378 2.156 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000779902381 681769778 /nfs/dbraw/zinc/76/97/78/681769778.db2.gz OZVRQIXYIYWJOI-MNOVXSKESA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913634676 685481130 /nfs/dbraw/zinc/48/11/30/685481130.db2.gz ZGRNNPFTBTUVML-UHFFFAOYSA-N 1 0 354.204 2.244 20 5 FEBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000781979504 681994403 /nfs/dbraw/zinc/99/44/03/681994403.db2.gz WWBKSJROAHRJQJ-UHFFFAOYSA-N 1 0 353.423 2.171 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000918359785 685538772 /nfs/dbraw/zinc/53/87/72/685538772.db2.gz JPOHBARGTFOTCY-HOTGVXAUSA-N 1 0 371.434 2.005 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000853029548 682365707 /nfs/dbraw/zinc/36/57/07/682365707.db2.gz LUEQJEVXVNGIBF-OAHLLOKOSA-N 1 0 350.444 2.135 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000853132522 682380792 /nfs/dbraw/zinc/38/07/92/682380792.db2.gz WLJTWSUSTOHOAX-HUUCEWRRSA-N 1 0 356.300 2.369 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000853657275 682453099 /nfs/dbraw/zinc/45/30/99/682453099.db2.gz CEOOZCORVDRHQG-UHFFFAOYSA-N 1 0 352.391 2.080 20 5 FEBDRO COC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000788428415 682529580 /nfs/dbraw/zinc/52/95/80/682529580.db2.gz DXWPQSDGOMQULB-KGLIPLIRSA-N 1 0 351.407 2.095 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000855363960 682662269 /nfs/dbraw/zinc/66/22/69/682662269.db2.gz WUGGXVRANYHLKT-LBPRGKRZSA-N 1 0 350.375 2.286 20 5 FEBDRO Cc1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1Br ZINC000791413489 682741511 /nfs/dbraw/zinc/74/15/11/682741511.db2.gz OQRPQTICYQRMID-UHFFFAOYSA-N 1 0 358.236 2.216 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000856728800 682799368 /nfs/dbraw/zinc/79/93/68/682799368.db2.gz IRNCTBZEASZWLV-JSGCOSHPSA-N 1 0 370.247 2.393 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857236154 682867857 /nfs/dbraw/zinc/86/78/57/682867857.db2.gz XUPOKGXNYQJLFH-IINYFYTJSA-N 1 0 359.835 2.059 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000795095106 683017323 /nfs/dbraw/zinc/01/73/23/683017323.db2.gz BQYRWHPWZHNNLM-OAHLLOKOSA-N 1 0 350.488 2.428 20 5 FEBDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@H]1C(C)C ZINC000926263154 683100312 /nfs/dbraw/zinc/10/03/12/683100312.db2.gz OQAKSPLTIVDRBQ-GADXADSLSA-N 1 0 367.471 2.256 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)C1 ZINC000859411865 683104133 /nfs/dbraw/zinc/10/41/33/683104133.db2.gz OOZOAGQQSVTTTD-ZDUSSCGKSA-N 1 0 366.849 2.100 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795927429 683109443 /nfs/dbraw/zinc/10/94/43/683109443.db2.gz FDFKKDXSGJCDMS-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO O=C(CC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859924728 683173829 /nfs/dbraw/zinc/17/38/29/683173829.db2.gz OGKPFPBCGIUSAD-YVEFUNNKSA-N 1 0 351.378 2.157 20 5 FEBDRO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000919837364 683302576 /nfs/dbraw/zinc/30/25/76/683302576.db2.gz WHJFDZGLIYLDAV-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798225933 683324762 /nfs/dbraw/zinc/32/47/62/683324762.db2.gz RWZUBUJOEGQFRQ-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO C[C@H]1[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928456114 683455421 /nfs/dbraw/zinc/45/54/21/683455421.db2.gz NTEWBRURSPVMHZ-JOYOIKCWSA-N 1 0 361.320 2.358 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000861891320 683494437 /nfs/dbraw/zinc/49/44/37/683494437.db2.gz XVLDOSRFZKBSAQ-UHFFFAOYSA-N 1 0 350.375 2.368 20 5 FEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]21 ZINC000861910877 683498362 /nfs/dbraw/zinc/49/83/62/683498362.db2.gz BNCJRTHSHHKTON-IWIIMEHWSA-N 1 0 372.194 2.128 20 5 FEBDRO C[NH+]1CCC(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000930241614 683697570 /nfs/dbraw/zinc/69/75/70/683697570.db2.gz IVOHNNBLLWIQOT-UHFFFAOYSA-N 1 0 359.329 2.246 20 5 FEBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643426 683760142 /nfs/dbraw/zinc/76/01/42/683760142.db2.gz YDQHAYNXICRMGR-UFBFGSQYSA-N 1 0 362.167 2.324 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000922707906 683770147 /nfs/dbraw/zinc/77/01/47/683770147.db2.gz FWYFPJLZIXXGCY-LLVKDONJSA-N 1 0 363.336 2.425 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000930714671 683774835 /nfs/dbraw/zinc/77/48/35/683774835.db2.gz JODWVYXAHRNHQK-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844183 683792093 /nfs/dbraw/zinc/79/20/93/683792093.db2.gz BQUZTIZVDOJEAE-RRFJBIMHSA-N 1 0 357.451 2.047 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000930903191 683799649 /nfs/dbraw/zinc/79/96/49/683799649.db2.gz HJWOAEMXXPMDLH-HNNXBMFYSA-N 1 0 372.263 2.246 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000866295432 684089998 /nfs/dbraw/zinc/08/99/98/684089998.db2.gz BSODXSUVSPEUNB-JOYOIKCWSA-N 1 0 363.311 2.418 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827007 684162382 /nfs/dbraw/zinc/16/23/82/684162382.db2.gz GWNYJZWKMCPINS-RYUDHWBXSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000866854766 684168009 /nfs/dbraw/zinc/16/80/09/684168009.db2.gz SBVSGVBIXKVNDO-CYBMUJFWSA-N 1 0 371.434 2.149 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)CCC[NH+]2CCCC2)c1 ZINC000866949018 684185654 /nfs/dbraw/zinc/18/56/54/684185654.db2.gz NRXQGTWPPVJGIS-UHFFFAOYSA-N 1 0 361.851 2.154 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923463130 684285265 /nfs/dbraw/zinc/28/52/65/684285265.db2.gz RIKCFPPGPJBNGZ-JRPNMDOOSA-N 1 0 352.822 2.259 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923463131 684285390 /nfs/dbraw/zinc/28/53/90/684285390.db2.gz RIKCFPPGPJBNGZ-ZIBATOQPSA-N 1 0 352.822 2.259 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925137592 684527292 /nfs/dbraw/zinc/52/72/92/684527292.db2.gz DCWCZSKQCUGCSN-GXTWGEPZSA-N 1 0 366.443 2.305 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000869765545 684652765 /nfs/dbraw/zinc/65/27/65/684652765.db2.gz NIGIOHWXMQLNKL-UHFFFAOYSA-N 1 0 353.394 2.164 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000872052529 684917256 /nfs/dbraw/zinc/91/72/56/684917256.db2.gz OJDJJTRWWMDWBL-NEPJUHHUSA-N 1 0 373.500 2.249 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000872662596 685000127 /nfs/dbraw/zinc/00/01/27/685000127.db2.gz JCSDVNVIMXZIOK-LSDHHAIUSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877113955 686327064 /nfs/dbraw/zinc/32/70/64/686327064.db2.gz IDPSMCAUVONUEO-CQSZACIVSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877276869 686347029 /nfs/dbraw/zinc/34/70/29/686347029.db2.gz CXDFHPTYZLGGAJ-OLZOCXBDSA-N 1 0 354.204 2.324 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877276871 686347404 /nfs/dbraw/zinc/34/74/04/686347404.db2.gz CXDFHPTYZLGGAJ-STQMWFEESA-N 1 0 354.204 2.324 20 5 FEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000877332773 686355647 /nfs/dbraw/zinc/35/56/47/686355647.db2.gz HYNWJTUZCRPUPS-AWEZNQCLSA-N 1 0 353.806 2.137 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C(F)(F)F ZINC000877357920 686361447 /nfs/dbraw/zinc/36/14/47/686361447.db2.gz AKXCXYPXJDTRTJ-BDAKNGLRSA-N 1 0 351.712 2.457 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(F)(F)F ZINC000877362663 686364177 /nfs/dbraw/zinc/36/41/77/686364177.db2.gz GSQGAECEDDIQRA-MWLCHTKSSA-N 1 0 365.739 2.386 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877368701 686366527 /nfs/dbraw/zinc/36/65/27/686366527.db2.gz JDAWMHWTPQDFLS-APPZFPTMSA-N 1 0 351.712 2.457 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879322723 686795835 /nfs/dbraw/zinc/79/58/35/686795835.db2.gz VJRJKDTXQULJGS-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000879406087 686816051 /nfs/dbraw/zinc/81/60/51/686816051.db2.gz LNWUESIWNWVSFD-HNNXBMFYSA-N 1 0 356.444 2.306 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000882480724 687374497 /nfs/dbraw/zinc/37/44/97/687374497.db2.gz AIQIGRXRQLNEHG-SECBINFHSA-N 1 0 359.329 2.029 20 5 FEBDRO C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883178186 687582536 /nfs/dbraw/zinc/58/25/36/687582536.db2.gz QORPSMNIXUDGPB-LBPRGKRZSA-N 1 0 371.235 2.251 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000883366230 687614518 /nfs/dbraw/zinc/61/45/18/687614518.db2.gz PEKMAJKJQDBWIQ-NSHDSACASA-N 1 0 374.262 2.260 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478776 687643352 /nfs/dbraw/zinc/64/33/52/687643352.db2.gz ZBMCGMFGVQVDNC-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000885875051 688175550 /nfs/dbraw/zinc/17/55/50/688175550.db2.gz DVCYFDDZADSUEE-GFCCVEGCSA-N 1 0 353.806 2.231 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562431 688275306 /nfs/dbraw/zinc/27/53/06/688275306.db2.gz ZTTHGJWXIRYGLF-UTUOFQBUSA-N 1 0 351.428 2.225 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756900 688818379 /nfs/dbraw/zinc/81/83/79/688818379.db2.gz PCLNTEJVKQZZKH-KBPBESRZSA-N 1 0 367.833 2.228 20 5 FEBDRO CO[C@]1(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CCSC1 ZINC000893052938 689288218 /nfs/dbraw/zinc/28/82/18/689288218.db2.gz KVCUXCQWSIZWGA-DOTOQJQBSA-N 1 0 366.439 2.234 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3CCC4(C[C@H]3F)OCCO4)CC2)n1 ZINC000894080210 689462304 /nfs/dbraw/zinc/46/23/04/689462304.db2.gz VSVXIYLJWJTQFR-ZIAGYGMSSA-N 1 0 354.382 2.062 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3CCC4(C[C@@H]3F)OCCO4)CC2)n1 ZINC000894080207 689462327 /nfs/dbraw/zinc/46/23/27/689462327.db2.gz VSVXIYLJWJTQFR-KBPBESRZSA-N 1 0 354.382 2.062 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3CCC4(C[C@@H]3F)OCCO4)CC2)n1 ZINC000894080209 689462360 /nfs/dbraw/zinc/46/23/60/689462360.db2.gz VSVXIYLJWJTQFR-UONOGXRCSA-N 1 0 354.382 2.062 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000895010847 689639949 /nfs/dbraw/zinc/63/99/49/689639949.db2.gz WIDASVOPPRXBFS-INIZCTEOSA-N 1 0 350.806 2.299 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH2+]C2(CCCCC2)C1 ZINC000895252618 689685184 /nfs/dbraw/zinc/68/51/84/689685184.db2.gz AAXMBSMQYFLPRZ-UHFFFAOYSA-N 1 0 353.444 2.111 20 5 FEBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895797657 689772792 /nfs/dbraw/zinc/77/27/92/689772792.db2.gz NNJSHMJACCAGEY-CLWVCHIJSA-N 1 0 352.456 2.329 20 5 FEBDRO CC(C)c1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1[N+](=O)[O-] ZINC000895828774 689776660 /nfs/dbraw/zinc/77/66/60/689776660.db2.gz YGYCNUAYTMMKPH-UHFFFAOYSA-N 1 0 352.431 2.054 20 5 FEBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[N@H+](C)CCN1C ZINC000896579280 689899881 /nfs/dbraw/zinc/89/98/81/689899881.db2.gz BQFATQIUDJITHW-RISCZKNCSA-N 1 0 362.455 2.174 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897219618 689989459 /nfs/dbraw/zinc/98/94/59/689989459.db2.gz MBASHQUWWORNJT-CHWSQXEVSA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000897220081 689990111 /nfs/dbraw/zinc/99/01/11/689990111.db2.gz SCUZHTNCSMRRFN-CHWSQXEVSA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220389 689990209 /nfs/dbraw/zinc/99/02/09/689990209.db2.gz AHYOLOKMHZEZCQ-CHWSQXEVSA-N 1 0 370.247 2.393 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000902904411 690818826 /nfs/dbraw/zinc/81/88/26/690818826.db2.gz KJAZXUQOAJQSBQ-KBPBESRZSA-N 1 0 354.407 2.435 20 5 FEBDRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903485276 690898884 /nfs/dbraw/zinc/89/88/84/690898884.db2.gz LKITYYSFFKNPOZ-AWEZNQCLSA-N 1 0 352.822 2.451 20 5 FEBDRO COCC[C@H]1C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903841660 690978101 /nfs/dbraw/zinc/97/81/01/690978101.db2.gz ZEFZTUYCRTXWBV-NSHDSACASA-N 1 0 358.236 2.168 20 5 FEBDRO C[NH+]1CCC(OCC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000904082721 691001682 /nfs/dbraw/zinc/00/16/82/691001682.db2.gz FTFUKNYAIMFDOU-UHFFFAOYSA-N 1 0 372.219 2.407 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000905432252 691117736 /nfs/dbraw/zinc/11/77/36/691117736.db2.gz OPKZHUFJUOBMQG-CQSZACIVSA-N 1 0 351.790 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000905633533 691154362 /nfs/dbraw/zinc/15/43/62/691154362.db2.gz LJMIFYPCGKDAFK-KBPBESRZSA-N 1 0 352.485 2.461 20 5 FEBDRO CC[C@@](O)(C[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC000905892732 691189123 /nfs/dbraw/zinc/18/91/23/691189123.db2.gz RWHDYGVXURSTER-CQSZACIVSA-N 1 0 366.336 2.448 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907855375 691571241 /nfs/dbraw/zinc/57/12/41/691571241.db2.gz KKNSZWVZGXSNAG-UHFFFAOYSA-N 1 0 373.862 2.415 20 5 FEBDRO CC(C)N(C)Cc1nn(-c2ncc(Cl)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164683026 719602433 /nfs/dbraw/zinc/60/24/33/719602433.db2.gz HEDFHDSZAJLFFC-UHFFFAOYSA-N 1 0 364.837 2.315 20 5 FEBDRO COc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724297 720371550 /nfs/dbraw/zinc/37/15/50/720371550.db2.gz JCYVTHALDRVIOY-LSDHHAIUSA-N 1 0 355.398 2.247 20 5 FEBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926897 721871652 /nfs/dbraw/zinc/87/16/52/721871652.db2.gz SPIFUNOOEJXMIV-DLBZAZTESA-N 1 0 355.442 2.358 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000800309296 674040514 /nfs/dbraw/zinc/04/05/14/674040514.db2.gz KLDRYRZFXNPBDR-GXFFZTMASA-N 1 0 361.851 2.056 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000027146601 539801407 /nfs/dbraw/zinc/80/14/07/539801407.db2.gz ICDVBHPWNXBODA-HNNXBMFYSA-N 1 0 367.471 2.160 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027582299 539811409 /nfs/dbraw/zinc/81/14/09/539811409.db2.gz AOVZRBIKOKUEIB-MRXNPFEDSA-N 1 0 357.410 2.263 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000030338412 539879815 /nfs/dbraw/zinc/87/98/15/539879815.db2.gz XJKXWVZFMBJHTH-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000032268976 539933515 /nfs/dbraw/zinc/93/35/15/539933515.db2.gz XRFWJWZPZIOQBE-ZDUSSCGKSA-N 1 0 367.471 2.403 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047434462 540310208 /nfs/dbraw/zinc/31/02/08/540310208.db2.gz RQNXLXMTQJPCMH-GASCZTMLSA-N 1 0 364.446 2.012 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000047553125 540317712 /nfs/dbraw/zinc/31/77/12/540317712.db2.gz JETXCGRSUKIVTG-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000049298582 540387106 /nfs/dbraw/zinc/38/71/06/540387106.db2.gz RDJDRPOIZGKUCB-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000050797479 540414928 /nfs/dbraw/zinc/41/49/28/540414928.db2.gz TXVQYWIEOYPMAV-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053515198 540541175 /nfs/dbraw/zinc/54/11/75/540541175.db2.gz UUGXIIHQVJOUPJ-CQSZACIVSA-N 1 0 371.441 2.457 20 5 FEBDRO COc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000053993247 540563949 /nfs/dbraw/zinc/56/39/49/540563949.db2.gz LELOJMILNANFJT-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000054281639 540579989 /nfs/dbraw/zinc/57/99/89/540579989.db2.gz FITKVBQTSYGWLK-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055406609 540651976 /nfs/dbraw/zinc/65/19/76/540651976.db2.gz ONTPMBPCDFHKOL-QWHCGFSZSA-N 1 0 365.430 2.462 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060318552 540871045 /nfs/dbraw/zinc/87/10/45/540871045.db2.gz RHMLPVISPVYVOA-KRWDZBQOSA-N 1 0 371.441 2.271 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064242968 541195849 /nfs/dbraw/zinc/19/58/49/541195849.db2.gz UCBSGUYCSDSMFN-ZDUSSCGKSA-N 1 0 369.468 2.108 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000063661406 541177598 /nfs/dbraw/zinc/17/75/98/541177598.db2.gz QBCILVWNXWAZIQ-UHFFFAOYSA-N 1 0 353.394 2.349 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244219 541196791 /nfs/dbraw/zinc/19/67/91/541196791.db2.gz ZLDLQZOGMZTJGL-UHFFFAOYSA-N 1 0 355.441 2.196 20 5 FEBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000065039608 541223812 /nfs/dbraw/zinc/22/38/12/541223812.db2.gz HFIZTOYCVYZCFI-UHFFFAOYSA-N 1 0 361.442 2.239 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000065769199 541259885 /nfs/dbraw/zinc/25/98/85/541259885.db2.gz JLWNXIQEBPJRML-OAHLLOKOSA-N 1 0 361.402 2.118 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065601999 541248089 /nfs/dbraw/zinc/24/80/89/541248089.db2.gz KLIVQXIRWFPWTA-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000065841390 541265245 /nfs/dbraw/zinc/26/52/45/541265245.db2.gz CSNNITVYPSGWGN-INIZCTEOSA-N 1 0 357.414 2.053 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000065872616 541268009 /nfs/dbraw/zinc/26/80/09/541268009.db2.gz IQMOIVMEMNQHLC-UHFFFAOYSA-N 1 0 369.425 2.183 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000066395833 541313786 /nfs/dbraw/zinc/31/37/86/541313786.db2.gz GFUNSTRVOBNXOA-UHFFFAOYSA-N 1 0 367.471 2.389 20 5 FEBDRO CCN1CCN(C(=O)CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000066568243 541337422 /nfs/dbraw/zinc/33/74/22/541337422.db2.gz CAEHYYMYUAUPAA-UHFFFAOYSA-N 1 0 374.485 2.361 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067191668 541430549 /nfs/dbraw/zinc/43/05/49/541430549.db2.gz RKARNMFWJSZYNK-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000067200129 541431498 /nfs/dbraw/zinc/43/14/98/541431498.db2.gz LVJSDTVNCGOKHI-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068178608 541558485 /nfs/dbraw/zinc/55/84/85/541558485.db2.gz VLXSWLVCYCIRPH-KRWDZBQOSA-N 1 0 374.441 2.023 20 5 FEBDRO O=Cc1ccc(OCC(=O)NCCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000068236035 541567063 /nfs/dbraw/zinc/56/70/63/541567063.db2.gz LEBFARJQKRYJNI-UHFFFAOYSA-N 1 0 363.414 2.168 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069074838 541654642 /nfs/dbraw/zinc/65/46/42/541654642.db2.gz ZKYMNYDILKULBT-CQSZACIVSA-N 1 0 350.419 2.005 20 5 FEBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000069076571 541654666 /nfs/dbraw/zinc/65/46/66/541654666.db2.gz LBNLDFFKXGQNCE-SFHVURJKSA-N 1 0 372.469 2.434 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000070830302 541746179 /nfs/dbraw/zinc/74/61/79/541746179.db2.gz IEHNRYMJAOWTKI-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072758827 541860548 /nfs/dbraw/zinc/86/05/48/541860548.db2.gz GZFGANLUAVGEDP-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000055281496 205213178 /nfs/dbraw/zinc/21/31/78/205213178.db2.gz FWAITHSDVGNQKR-CYBMUJFWSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000109389890 206056673 /nfs/dbraw/zinc/05/66/73/206056673.db2.gz OJJUOIPNFOBOAX-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc(C)c(OC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000075647287 542196290 /nfs/dbraw/zinc/19/62/90/542196290.db2.gz AXGLOPNTDPQMHO-QGZVFWFLSA-N 1 0 374.441 2.312 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000076408245 542275509 /nfs/dbraw/zinc/27/55/09/542275509.db2.gz ATUWWGUHSOSBHT-VXGBXAGGSA-N 1 0 359.835 2.153 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000076665933 542309685 /nfs/dbraw/zinc/30/96/85/542309685.db2.gz HBDGBEZMVZJXTL-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804645 542481604 /nfs/dbraw/zinc/48/16/04/542481604.db2.gz WFRQSKNFSDKVPN-QGZVFWFLSA-N 1 0 351.447 2.139 20 5 FEBDRO NC(=O)c1ccc(C[NH+]2CCC(COc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000081098579 542633412 /nfs/dbraw/zinc/63/34/12/542633412.db2.gz VQVYWFIVYACKNF-UHFFFAOYSA-N 1 0 370.409 2.380 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000087357097 542745007 /nfs/dbraw/zinc/74/50/07/542745007.db2.gz JPIWIMLCUZAFOL-GOSISDBHSA-N 1 0 374.485 2.013 20 5 FEBDRO CC(=O)NC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092669162 542880385 /nfs/dbraw/zinc/88/03/85/542880385.db2.gz LCPQWGWFTIKNMM-UHFFFAOYSA-N 1 0 357.414 2.096 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000104572451 543134543 /nfs/dbraw/zinc/13/45/43/543134543.db2.gz MZTOVSWYARZIHH-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406245 543289410 /nfs/dbraw/zinc/28/94/10/543289410.db2.gz JHNVHDOOGKHXHL-NSHDSACASA-N 1 0 361.851 2.177 20 5 FEBDRO COc1ccc(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751179 543336090 /nfs/dbraw/zinc/33/60/90/543336090.db2.gz BCLBKQIJJHGJQT-QGZVFWFLSA-N 1 0 362.474 2.205 20 5 FEBDRO CNC(=O)[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000111269359 543390789 /nfs/dbraw/zinc/39/07/89/543390789.db2.gz TXFKKEGEWBCVDG-AWEZNQCLSA-N 1 0 358.398 2.250 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000112560665 543452492 /nfs/dbraw/zinc/45/24/92/543452492.db2.gz JPNXHYNLYWPALP-INIZCTEOSA-N 1 0 368.865 2.250 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000112852326 543465306 /nfs/dbraw/zinc/46/53/06/543465306.db2.gz KGVADHMQVPDBQZ-CABCVRRESA-N 1 0 374.441 2.175 20 5 FEBDRO COc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000112924597 543469089 /nfs/dbraw/zinc/46/90/89/543469089.db2.gz HCBUIHBWPIAWPV-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000113248535 543479196 /nfs/dbraw/zinc/47/91/96/543479196.db2.gz NNPMWHKZCYEKEP-DZGCQCFKSA-N 1 0 369.425 2.232 20 5 FEBDRO COCC[N@H+](C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113333532 543484468 /nfs/dbraw/zinc/48/44/68/543484468.db2.gz NZBVPDNVRCKLOW-UHFFFAOYSA-N 1 0 350.444 2.386 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114378858 543511732 /nfs/dbraw/zinc/51/17/32/543511732.db2.gz LTNMLYOINJQNSI-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073061 543503340 /nfs/dbraw/zinc/50/33/40/543503340.db2.gz JYYGPIOYSZWQJD-HOCLYGCPSA-N 1 0 363.414 2.188 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000114140508 543504899 /nfs/dbraw/zinc/50/48/99/543504899.db2.gz NCOZGVSQRDFEPK-OAHLLOKOSA-N 1 0 351.403 2.088 20 5 FEBDRO CCC[N@@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000114463082 543517989 /nfs/dbraw/zinc/51/79/89/543517989.db2.gz DGWSKLAKUHHLML-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000126506693 543940667 /nfs/dbraw/zinc/94/06/67/543940667.db2.gz VIXNWFLHJGSNEH-ZIAGYGMSSA-N 1 0 371.441 2.215 20 5 FEBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)NCc1ccco1 ZINC000130158209 544140522 /nfs/dbraw/zinc/14/05/22/544140522.db2.gz SFLDURCCVDCOHR-UHFFFAOYSA-N 1 0 372.381 2.178 20 5 FEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1COc2ccccc2O1 ZINC000131155862 544178619 /nfs/dbraw/zinc/17/86/19/544178619.db2.gz WPMHYKCZFAXZBE-INIZCTEOSA-N 1 0 373.409 2.309 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000131795699 544207412 /nfs/dbraw/zinc/20/74/12/544207412.db2.gz WEYJTVOTZWSRGR-YOEHRIQHSA-N 1 0 371.441 2.127 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000132273446 544225159 /nfs/dbraw/zinc/22/51/59/544225159.db2.gz URUODEQLOLFBLO-RDJZCZTQSA-N 1 0 371.441 2.303 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133390706 544268149 /nfs/dbraw/zinc/26/81/49/544268149.db2.gz KZDFNSFJWIHFCS-UHFFFAOYSA-N 1 0 365.478 2.460 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000247505100 549346504 /nfs/dbraw/zinc/34/65/04/549346504.db2.gz ITQQMGXPWHERPN-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[C@H](C)[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000135300760 544340862 /nfs/dbraw/zinc/34/08/62/544340862.db2.gz OYDYULKNYVKCRB-STQMWFEESA-N 1 0 372.491 2.281 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000135541983 544351884 /nfs/dbraw/zinc/35/18/84/544351884.db2.gz OHNZEUFGSRGFFJ-MRXNPFEDSA-N 1 0 369.425 2.378 20 5 FEBDRO CN(c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000137157898 544386130 /nfs/dbraw/zinc/38/61/30/544386130.db2.gz OVZIXPKAKAYMQZ-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000152571623 544669274 /nfs/dbraw/zinc/66/92/74/544669274.db2.gz QQCRABCUBYMKJO-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000153227106 544748704 /nfs/dbraw/zinc/74/87/04/544748704.db2.gz BTKVRZHIOZYGJA-UHFFFAOYSA-N 1 0 372.469 2.302 20 5 FEBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000153759056 544819608 /nfs/dbraw/zinc/81/96/08/544819608.db2.gz VTAXWSZCELEAPM-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553058740 674235808 /nfs/dbraw/zinc/23/58/08/674235808.db2.gz LXLFWIFYPHTNAO-STQMWFEESA-N 1 0 350.419 2.760 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181904907 327752017 /nfs/dbraw/zinc/75/20/17/327752017.db2.gz QDVQLWLZOJAOPB-YJBOKZPZSA-N 1 0 352.431 2.255 20 5 FEBDRO C[C@@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064111 327759266 /nfs/dbraw/zinc/75/92/66/327759266.db2.gz HDQPMJDLCMVUGR-MLGOLLRUSA-N 1 0 362.430 2.336 20 5 FEBDRO CC[NH+]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000183296124 327810861 /nfs/dbraw/zinc/81/08/61/327810861.db2.gz OEHRSUVGHPQELP-UHFFFAOYSA-N 1 0 359.373 2.385 20 5 FEBDRO Cc1c(C(=O)NCC2(C)CC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000183313275 327811595 /nfs/dbraw/zinc/81/15/95/327811595.db2.gz LXFCTCSRLRUXDE-UHFFFAOYSA-N 1 0 350.375 2.239 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000185440221 327916578 /nfs/dbraw/zinc/91/65/78/327916578.db2.gz ACAXRMYHNNERAJ-ZDUSSCGKSA-N 1 0 363.414 2.376 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804531433 674290691 /nfs/dbraw/zinc/29/06/91/674290691.db2.gz NNFPPSRWWLXNGS-ZDUSSCGKSA-N 1 0 352.391 2.440 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000187171080 328006577 /nfs/dbraw/zinc/00/65/77/328006577.db2.gz VHOWZTDTZHVFDN-CJNGLKHVSA-N 1 0 370.409 2.478 20 5 FEBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187609788 328035773 /nfs/dbraw/zinc/03/57/73/328035773.db2.gz YWNOKBTWZBSGGT-GOSISDBHSA-N 1 0 365.430 2.417 20 5 FEBDRO Cc1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000188735629 328107518 /nfs/dbraw/zinc/10/75/18/328107518.db2.gz HOOFTMLFEQYYPL-UHFFFAOYSA-N 1 0 356.338 2.345 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188929009 328118347 /nfs/dbraw/zinc/11/83/47/328118347.db2.gz VHVXIKUTGYTULU-CQSZACIVSA-N 1 0 362.430 2.099 20 5 FEBDRO CCCN1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000189416568 328146855 /nfs/dbraw/zinc/14/68/55/328146855.db2.gz NYMBEHZXAFCGDI-UHFFFAOYSA-N 1 0 366.393 2.007 20 5 FEBDRO C[C@H](O)C[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000189854768 328171654 /nfs/dbraw/zinc/17/16/54/328171654.db2.gz CVJYUOIPWRGEKG-ZDUSSCGKSA-N 1 0 362.455 2.217 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000189867454 328172341 /nfs/dbraw/zinc/17/23/41/328172341.db2.gz BMWPHSQQMHWLHI-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000191406352 328264161 /nfs/dbraw/zinc/26/41/61/328264161.db2.gz SMNHOPFGSDWLOH-ZDUSSCGKSA-N 1 0 363.462 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000191408586 328264222 /nfs/dbraw/zinc/26/42/22/328264222.db2.gz MUERUWVLSIBFCA-ZIAGYGMSSA-N 1 0 350.419 2.130 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000191829743 328283797 /nfs/dbraw/zinc/28/37/97/328283797.db2.gz UUWLIFXJTDZYNH-HIFRSBDPSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000192054416 328297256 /nfs/dbraw/zinc/29/72/56/328297256.db2.gz ZWYSJLWFCFYQME-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO CCC(CC)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000192702131 328333987 /nfs/dbraw/zinc/33/39/87/328333987.db2.gz LXJZLEDRZDWTMS-UHFFFAOYSA-N 1 0 351.403 2.492 20 5 FEBDRO Cn1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000193010076 328351963 /nfs/dbraw/zinc/35/19/63/328351963.db2.gz SLSCDUZKBKWCHY-IRXDYDNUSA-N 1 0 369.425 2.491 20 5 FEBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193532807 328380158 /nfs/dbraw/zinc/38/01/58/328380158.db2.gz KIWWBQFBLNJKOD-UHFFFAOYSA-N 1 0 358.398 2.419 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000048605096 324668480 /nfs/dbraw/zinc/66/84/80/324668480.db2.gz CNLSENGKDAQMIE-UHFFFAOYSA-N 1 0 362.430 2.267 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1SC ZINC000237121329 328505443 /nfs/dbraw/zinc/50/54/43/328505443.db2.gz XTBJHDCOTOFCSH-NSHDSACASA-N 1 0 353.444 2.445 20 5 FEBDRO COc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000237265118 328510217 /nfs/dbraw/zinc/51/02/17/328510217.db2.gz CFXIZWZYEBGPHF-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000078827455 325064677 /nfs/dbraw/zinc/06/46/77/325064677.db2.gz FDVNYUUFZKXTPH-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000079995710 325112765 /nfs/dbraw/zinc/11/27/65/325112765.db2.gz AUPOBZYPRMFSFV-UHFFFAOYSA-N 1 0 351.451 2.056 20 5 FEBDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081519573 325180219 /nfs/dbraw/zinc/18/02/19/325180219.db2.gz OYKZGMHQOHLFQV-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081519574 325180637 /nfs/dbraw/zinc/18/06/37/325180637.db2.gz OYKZGMHQOHLFQV-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1cc(F)ccc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237628501 328522928 /nfs/dbraw/zinc/52/29/28/328522928.db2.gz GZAYFPORXAKNFX-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457573 325254852 /nfs/dbraw/zinc/25/48/52/325254852.db2.gz IFUVLQLDOSZHDW-KBPBESRZSA-N 1 0 364.446 2.105 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000085638829 325256505 /nfs/dbraw/zinc/25/65/05/325256505.db2.gz VRMFESQEPKWAFU-OAHLLOKOSA-N 1 0 362.430 2.398 20 5 FEBDRO CCC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090796194 325368024 /nfs/dbraw/zinc/36/80/24/325368024.db2.gz WHSGQMKZEFQUPS-XJKSGUPXSA-N 1 0 355.460 2.307 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1SC ZINC000103190866 325509717 /nfs/dbraw/zinc/50/97/17/325509717.db2.gz GRBDTDFRRZJZGC-ZDUSSCGKSA-N 1 0 353.444 2.395 20 5 FEBDRO CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118830836 326105845 /nfs/dbraw/zinc/10/58/45/326105845.db2.gz DYBLBIGJJGKCLC-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000120679849 326278072 /nfs/dbraw/zinc/27/80/72/326278072.db2.gz GDNDYMGDWZEINT-JQWIXIFHSA-N 1 0 368.821 2.128 20 5 FEBDRO CSC[C@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120680557 326278314 /nfs/dbraw/zinc/27/83/14/326278314.db2.gz QDVIHQKPNKTCDR-MRXNPFEDSA-N 1 0 350.444 2.199 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000120701910 326280222 /nfs/dbraw/zinc/28/02/22/326280222.db2.gz OUICLGADOPXIOJ-GXTWGEPZSA-N 1 0 365.430 2.414 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120701361 326280316 /nfs/dbraw/zinc/28/03/16/326280316.db2.gz KYOOBARLLNHGKB-JSGCOSHPSA-N 1 0 365.430 2.414 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000120791725 326288487 /nfs/dbraw/zinc/28/84/87/326288487.db2.gz PPARYPIRUAAWQM-UHFFFAOYSA-N 1 0 370.409 2.198 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000120815778 326290601 /nfs/dbraw/zinc/29/06/01/326290601.db2.gz JHYYNODTWKLLMT-CYBMUJFWSA-N 1 0 373.373 2.129 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121093111 326312547 /nfs/dbraw/zinc/31/25/47/326312547.db2.gz SWBONAYOYNASSM-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000121361276 326332895 /nfs/dbraw/zinc/33/28/95/326332895.db2.gz PBGUBUDATSSJBS-CQSZACIVSA-N 1 0 374.441 2.283 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000122165304 326386304 /nfs/dbraw/zinc/38/63/04/326386304.db2.gz XOBJFVXYDDMFOK-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000126213630 326485082 /nfs/dbraw/zinc/48/50/82/326485082.db2.gz GKJYKSOJOPIMIX-HNNXBMFYSA-N 1 0 351.451 2.117 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000128147868 326518772 /nfs/dbraw/zinc/51/87/72/326518772.db2.gz IEFHGWRTKRFLAR-CHWSQXEVSA-N 1 0 353.444 2.223 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1 ZINC000128554535 326525933 /nfs/dbraw/zinc/52/59/33/326525933.db2.gz RCLXTNNEGWXWSL-HNNXBMFYSA-N 1 0 359.430 2.232 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000137157828 326658502 /nfs/dbraw/zinc/65/85/02/326658502.db2.gz JKXLLGBFYHTQQN-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151644216 326687631 /nfs/dbraw/zinc/68/76/31/326687631.db2.gz QCEBGAJNAOMZTO-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000152002914 326696684 /nfs/dbraw/zinc/69/66/84/326696684.db2.gz SVICMKBHBMZUPK-CQSZACIVSA-N 1 0 355.460 2.136 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000153419245 326732459 /nfs/dbraw/zinc/73/24/59/326732459.db2.gz UKDAYYJJKAGFAD-IBGZPJMESA-N 1 0 372.425 2.381 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000153589751 326737013 /nfs/dbraw/zinc/73/70/13/326737013.db2.gz RHIABSIYAZQSJA-SFHVURJKSA-N 1 0 364.442 2.473 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)C2)CC1 ZINC000153814710 326743455 /nfs/dbraw/zinc/74/34/55/326743455.db2.gz QNDHQPIOUSTMJX-MRXNPFEDSA-N 1 0 361.446 2.147 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(Cn3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000156144272 326819053 /nfs/dbraw/zinc/81/90/53/326819053.db2.gz IOMFXIVYFOPAJY-UHFFFAOYSA-N 1 0 372.429 2.236 20 5 FEBDRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1[N+](=O)[O-] ZINC000159439350 326931542 /nfs/dbraw/zinc/93/15/42/326931542.db2.gz UONXWVPRPQZSIP-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000160532729 326968747 /nfs/dbraw/zinc/96/87/47/326968747.db2.gz SLAVBVGKFBECSR-QZTJIDSGSA-N 1 0 361.442 2.401 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Cl ZINC000161665923 327005478 /nfs/dbraw/zinc/00/54/78/327005478.db2.gz BBHCKKPNXMZWNA-UHFFFAOYSA-N 1 0 353.766 2.164 20 5 FEBDRO CSCC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977939 327013958 /nfs/dbraw/zinc/01/39/58/327013958.db2.gz WPVDRHUBRLBRMI-OAHLLOKOSA-N 1 0 353.444 2.045 20 5 FEBDRO CSc1ccc(C(=O)N2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000162222936 327020219 /nfs/dbraw/zinc/02/02/19/327020219.db2.gz SFJRHWBYGGYSMK-UHFFFAOYSA-N 1 0 353.444 2.287 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000163104022 327042790 /nfs/dbraw/zinc/04/27/90/327042790.db2.gz BSQIFNBYOCUADS-MRXNPFEDSA-N 1 0 361.446 2.147 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000163512074 327053277 /nfs/dbraw/zinc/05/32/77/327053277.db2.gz SQHWVCQCOBPMIJ-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163686997 327056861 /nfs/dbraw/zinc/05/68/61/327056861.db2.gz TULRGNOZXQLDQY-MWLCHTKSSA-N 1 0 356.220 2.414 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000163687095 327056953 /nfs/dbraw/zinc/05/69/53/327056953.db2.gz TULRGNOZXQLDQY-GXSJLCMTSA-N 1 0 356.220 2.414 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000171269218 327128619 /nfs/dbraw/zinc/12/86/19/327128619.db2.gz YJCODBJLBKVGKI-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000171445872 327139924 /nfs/dbraw/zinc/13/99/24/327139924.db2.gz VUUYNLUCINPDDF-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171453461 327140340 /nfs/dbraw/zinc/14/03/40/327140340.db2.gz VHVAFDDQQHIWHN-MRXNPFEDSA-N 1 0 355.398 2.091 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171797624 327161874 /nfs/dbraw/zinc/16/18/74/327161874.db2.gz FMMYSNYGYMIADI-AWEZNQCLSA-N 1 0 370.409 2.137 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000172018123 327176379 /nfs/dbraw/zinc/17/63/79/327176379.db2.gz OYICNGDLGJXABR-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000172208079 327187225 /nfs/dbraw/zinc/18/72/25/327187225.db2.gz UZAKYAXGIKEXPK-CQSZACIVSA-N 1 0 357.414 2.275 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C[NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000172786310 327218973 /nfs/dbraw/zinc/21/89/73/327218973.db2.gz GQOHIUIDLKHMNE-ZDUSSCGKSA-N 1 0 350.419 2.335 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000173463224 327259091 /nfs/dbraw/zinc/25/90/91/327259091.db2.gz AJTNTCGIBREMBA-AWEZNQCLSA-N 1 0 356.382 2.447 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173525023 327263513 /nfs/dbraw/zinc/26/35/13/327263513.db2.gz NWOFYSTWHPXPOL-CQSZACIVSA-N 1 0 371.441 2.373 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000173593056 327269534 /nfs/dbraw/zinc/26/95/34/327269534.db2.gz DLBNYJTYVBZROL-AWEZNQCLSA-N 1 0 359.430 2.127 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173666567 327275091 /nfs/dbraw/zinc/27/50/91/327275091.db2.gz UGEWDTJAHWJUJW-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173818593 327286339 /nfs/dbraw/zinc/28/63/39/327286339.db2.gz XJADFVUOMKVAQP-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173865667 327289928 /nfs/dbraw/zinc/28/99/28/327289928.db2.gz DZVWFSIMLZPGIG-HNNXBMFYSA-N 1 0 367.471 2.446 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000174027672 327302330 /nfs/dbraw/zinc/30/23/30/327302330.db2.gz FEEFKGJUPBBJKR-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc([N+](=O)[O-])c1 ZINC000174173005 327310605 /nfs/dbraw/zinc/31/06/05/327310605.db2.gz CCPQABUITUEQKE-HNNXBMFYSA-N 1 0 363.414 2.328 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174191418 327311740 /nfs/dbraw/zinc/31/17/40/327311740.db2.gz GKMBTMFOKPNDIU-CQSZACIVSA-N 1 0 362.430 2.231 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732974 327346734 /nfs/dbraw/zinc/34/67/34/327346734.db2.gz RLQANRYEYCVARS-MFKMUULPSA-N 1 0 356.329 2.104 20 5 FEBDRO C[N@H+](CCCOc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743248 327347790 /nfs/dbraw/zinc/34/77/90/327347790.db2.gz FASLVGGUMFLVFH-HNNXBMFYSA-N 1 0 368.821 2.207 20 5 FEBDRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000175027497 327368984 /nfs/dbraw/zinc/36/89/84/327368984.db2.gz CPBJPCZDZPZVEK-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CNC(=O)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000175042206 327370399 /nfs/dbraw/zinc/37/03/99/327370399.db2.gz JDIFGMXPZNKRBG-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175130882 327375940 /nfs/dbraw/zinc/37/59/40/327375940.db2.gz ZZGGNBJNVKALFN-ZIAGYGMSSA-N 1 0 355.460 2.315 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000175392949 327390636 /nfs/dbraw/zinc/39/06/36/327390636.db2.gz YRTXICSFLNJIKC-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO CC[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176184666 327439061 /nfs/dbraw/zinc/43/90/61/327439061.db2.gz JNQGZILGNICXRZ-QGZVFWFLSA-N 1 0 364.446 2.049 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176940155 327486248 /nfs/dbraw/zinc/48/62/48/327486248.db2.gz MDZATSXESHSFMQ-UHFFFAOYSA-N 1 0 353.444 2.280 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000177447596 327522704 /nfs/dbraw/zinc/52/27/04/327522704.db2.gz KYULAVRWZZRKMH-CABCVRRESA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000178263349 327574936 /nfs/dbraw/zinc/57/49/36/327574936.db2.gz NLAXBDBFTZPPEV-ZDUSSCGKSA-N 1 0 355.460 2.225 20 5 FEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000178583847 327593657 /nfs/dbraw/zinc/59/36/57/327593657.db2.gz ASANSRSOQZIJPX-RBSFLKMASA-N 1 0 360.458 2.498 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261995664 328834235 /nfs/dbraw/zinc/83/42/35/328834235.db2.gz UBFRXHMWUXVFPQ-AWEZNQCLSA-N 1 0 357.414 2.056 20 5 FEBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000262744451 328886027 /nfs/dbraw/zinc/88/60/27/328886027.db2.gz KUWXAVVVAQKQRN-UHFFFAOYSA-N 1 0 369.365 2.219 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1C ZINC000264165226 328996224 /nfs/dbraw/zinc/99/62/24/328996224.db2.gz UHFFHOYYSKNLSZ-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264666113 329046228 /nfs/dbraw/zinc/04/62/28/329046228.db2.gz ZNXAUBLKPYXMOT-HNNXBMFYSA-N 1 0 353.444 2.152 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264875060 329069934 /nfs/dbraw/zinc/06/99/34/329069934.db2.gz PPSPXIYMBCGXAB-WDEREUQCSA-N 1 0 351.794 2.450 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1OC ZINC000265018404 329083504 /nfs/dbraw/zinc/08/35/04/329083504.db2.gz RUOITGGHLHVCTN-GFCCVEGCSA-N 1 0 351.403 2.026 20 5 FEBDRO COC1CCC([N@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000265181888 329099624 /nfs/dbraw/zinc/09/96/24/329099624.db2.gz DXRPOGGJVDGIPI-UHFFFAOYSA-N 1 0 365.386 2.151 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294711 329111434 /nfs/dbraw/zinc/11/14/34/329111434.db2.gz NGEPJGIIRBAJKD-HZPDHXFCSA-N 1 0 356.382 2.205 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000265920595 329172774 /nfs/dbraw/zinc/17/27/74/329172774.db2.gz CBNLUQDSGDXNQL-WFASDCNBSA-N 1 0 353.394 2.301 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000265928757 329173545 /nfs/dbraw/zinc/17/35/45/329173545.db2.gz ONAWCIGKQHGILB-UHFFFAOYSA-N 1 0 353.422 2.353 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000266026084 329182989 /nfs/dbraw/zinc/18/29/89/329182989.db2.gz MPFLEXPAYATQDT-UHFFFAOYSA-N 1 0 353.422 2.353 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000266318897 329211069 /nfs/dbraw/zinc/21/10/69/329211069.db2.gz RWIOOOCTOZBVFN-ZDUSSCGKSA-N 1 0 363.414 2.170 20 5 FEBDRO C[N@H+](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000266796134 329260727 /nfs/dbraw/zinc/26/07/27/329260727.db2.gz IGEMLZMLNROJTG-UHFFFAOYSA-N 1 0 362.430 2.242 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000266861926 329266736 /nfs/dbraw/zinc/26/67/36/329266736.db2.gz UZJKNAUBRKVBDI-UHFFFAOYSA-N 1 0 355.460 2.295 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267084779 329290288 /nfs/dbraw/zinc/29/02/88/329290288.db2.gz STYIKHKIADHMCQ-UHFFFAOYSA-N 1 0 364.446 2.283 20 5 FEBDRO CCC[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031761 329479289 /nfs/dbraw/zinc/47/92/89/329479289.db2.gz RXQPKTCQQIPZEA-GOEBONIOSA-N 1 0 355.460 2.450 20 5 FEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC000269135488 329489301 /nfs/dbraw/zinc/48/93/01/329489301.db2.gz QIYHNCLBCIBBBP-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269295461 329504991 /nfs/dbraw/zinc/50/49/91/329504991.db2.gz VWSVMPXWPPJQNG-VXGBXAGGSA-N 1 0 350.375 2.319 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000270211995 329582674 /nfs/dbraw/zinc/58/26/74/329582674.db2.gz LKTUTAJROAWPEM-MRXNPFEDSA-N 1 0 367.471 2.088 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(N)=O)CCOCC1 ZINC000271107548 329662968 /nfs/dbraw/zinc/66/29/68/329662968.db2.gz GNGQVIJCVWKCQU-CYBMUJFWSA-N 1 0 367.471 2.337 20 5 FEBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000271608735 329707461 /nfs/dbraw/zinc/70/74/61/329707461.db2.gz ANHXIPNTTIPYNV-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000273630367 329880215 /nfs/dbraw/zinc/88/02/15/329880215.db2.gz QEXUPSCNYRHBHY-GXTWGEPZSA-N 1 0 354.432 2.113 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000275501841 330056399 /nfs/dbraw/zinc/05/63/99/330056399.db2.gz DQJVKPFPYSHGCW-SJORKVTESA-N 1 0 362.430 2.403 20 5 FEBDRO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000275530324 330060057 /nfs/dbraw/zinc/06/00/57/330060057.db2.gz FQGIZTSLVSSOKO-CQSZACIVSA-N 1 0 363.458 2.176 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000275822129 330093172 /nfs/dbraw/zinc/09/31/72/330093172.db2.gz WZWDVHQVDGHGGK-HNNXBMFYSA-N 1 0 354.432 2.162 20 5 FEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276279730 330136691 /nfs/dbraw/zinc/13/66/91/330136691.db2.gz FEEBDVTYOVILLX-PKOBYXMFSA-N 1 0 372.425 2.123 20 5 FEBDRO Cc1cc(F)c(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000284219201 330178189 /nfs/dbraw/zinc/17/81/89/330178189.db2.gz ZRQWZBJLJTTYLH-ZDUSSCGKSA-N 1 0 366.393 2.228 20 5 FEBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCOC[C@@H]1C1CC1 ZINC000367239685 330234741 /nfs/dbraw/zinc/23/47/41/330234741.db2.gz FCJKPNKPGOEINS-GOSISDBHSA-N 1 0 359.426 2.197 20 5 FEBDRO CC[C@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554977490 674344124 /nfs/dbraw/zinc/34/41/24/674344124.db2.gz SGZGOHLNTCFFTG-LBPRGKRZSA-N 1 0 364.183 2.450 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261623438 518189900 /nfs/dbraw/zinc/18/99/00/518189900.db2.gz CEPHKEFPHBLFLV-JKSUJKDBSA-N 1 0 361.423 2.019 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000160230106 546019270 /nfs/dbraw/zinc/01/92/70/546019270.db2.gz YZWFSAPQHTUJCR-QZTJIDSGSA-N 1 0 361.442 2.401 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162086596 546136251 /nfs/dbraw/zinc/13/62/51/546136251.db2.gz IHADVXQUSKJWTL-GHMZBOCLSA-N 1 0 356.220 2.286 20 5 FEBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000479339403 561187684 /nfs/dbraw/zinc/18/76/84/561187684.db2.gz XXFBNRNTGNUPIT-GFCCVEGCSA-N 1 0 359.430 2.184 20 5 FEBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399903 561189025 /nfs/dbraw/zinc/18/90/25/561189025.db2.gz YCOPKDAZTDJVMX-GJZGRUSLSA-N 1 0 367.471 2.455 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC[NH3+])Cc1ccccc1 ZINC000479781794 561196906 /nfs/dbraw/zinc/19/69/06/561196906.db2.gz NOKRYSLRZSVOAQ-UHFFFAOYSA-N 1 0 372.425 2.393 20 5 FEBDRO Cc1cc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000175980662 546383928 /nfs/dbraw/zinc/38/39/28/546383928.db2.gz GPEIUQVBJPHYRB-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000176205651 546419357 /nfs/dbraw/zinc/41/93/57/546419357.db2.gz MGPIEJQHLAOPBM-MRXNPFEDSA-N 1 0 372.429 2.468 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000480457577 561209608 /nfs/dbraw/zinc/20/96/08/561209608.db2.gz CAQAAEUXVRDQTK-INIZCTEOSA-N 1 0 357.414 2.311 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176724753 546481080 /nfs/dbraw/zinc/48/10/80/546481080.db2.gz DWMDVDRXJIJNSH-UKRRQHHQSA-N 1 0 364.446 2.044 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@@H+]1C1CC1 ZINC000177095933 546543916 /nfs/dbraw/zinc/54/39/16/546543916.db2.gz KUSLEMWKRRGWPP-QWHCGFSZSA-N 1 0 355.398 2.136 20 5 FEBDRO CC(C)C[C@@H](CO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481402500 561232116 /nfs/dbraw/zinc/23/21/16/561232116.db2.gz JWVFJHFYUNRVCP-AWEZNQCLSA-N 1 0 351.403 2.232 20 5 FEBDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425763 561232631 /nfs/dbraw/zinc/23/26/31/561232631.db2.gz LOXZHQJGEMZMJQ-RBOXIYTFSA-N 1 0 368.821 2.171 20 5 FEBDRO Cc1c(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000481478101 561233583 /nfs/dbraw/zinc/23/35/83/561233583.db2.gz JZYPQWYIKBBADZ-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000481977387 561246546 /nfs/dbraw/zinc/24/65/46/561246546.db2.gz NMDUINNDRMGWLN-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CCOC(=O)c1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])c1 ZINC000482346714 561252903 /nfs/dbraw/zinc/25/29/03/561252903.db2.gz CGCASEUCIMUDMF-UHFFFAOYSA-N 1 0 372.381 2.480 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180417524 547105915 /nfs/dbraw/zinc/10/59/15/547105915.db2.gz KGCXYQFJMJAYJR-CYBMUJFWSA-N 1 0 356.382 2.271 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000180498167 547118847 /nfs/dbraw/zinc/11/88/47/547118847.db2.gz VMNYDCGCRMHVBD-MRXNPFEDSA-N 1 0 355.398 2.139 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccccc1 ZINC000180524054 547124030 /nfs/dbraw/zinc/12/40/30/547124030.db2.gz KRMVLLVSHAAUBN-OAHLLOKOSA-N 1 0 371.441 2.255 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000180541871 547127131 /nfs/dbraw/zinc/12/71/31/547127131.db2.gz FXZNDFROLNPHNC-UHFFFAOYSA-N 1 0 361.446 2.300 20 5 FEBDRO NC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000180966689 547220802 /nfs/dbraw/zinc/22/08/02/547220802.db2.gz WQAXEAYIKGPTAA-MRXNPFEDSA-N 1 0 363.414 2.375 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181257416 547281473 /nfs/dbraw/zinc/28/14/73/547281473.db2.gz HMKSVNQTEPHGTH-AWEZNQCLSA-N 1 0 366.368 2.490 20 5 FEBDRO Cn1ccnc1CC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182237847 547459148 /nfs/dbraw/zinc/45/91/48/547459148.db2.gz HMYKNGMHPKHAAA-INIZCTEOSA-N 1 0 374.441 2.023 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000483727021 561282788 /nfs/dbraw/zinc/28/27/88/561282788.db2.gz NFHQUTCFCMZTPH-HZUKXOBISA-N 1 0 351.403 2.478 20 5 FEBDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000182385890 547482717 /nfs/dbraw/zinc/48/27/17/547482717.db2.gz VYSSEWNIFVQVIL-OAHLLOKOSA-N 1 0 359.382 2.255 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000182429393 547491893 /nfs/dbraw/zinc/49/18/93/547491893.db2.gz QWPIXGVQNSCUTR-CZUORRHYSA-N 1 0 362.430 2.229 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182746209 547545179 /nfs/dbraw/zinc/54/51/79/547545179.db2.gz XDYUUJRITHKEBE-INIZCTEOSA-N 1 0 362.474 2.450 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000484074540 561290998 /nfs/dbraw/zinc/29/09/98/561290998.db2.gz URGCPDTXBDASEJ-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183779421 547718363 /nfs/dbraw/zinc/71/83/63/547718363.db2.gz XAJCZWGBDXGEGM-SFHVURJKSA-N 1 0 355.394 2.091 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933737 547741342 /nfs/dbraw/zinc/74/13/42/547741342.db2.gz HAIXXJXUZXFXHS-GFCCVEGCSA-N 1 0 369.853 2.396 20 5 FEBDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000184004379 547752804 /nfs/dbraw/zinc/75/28/04/547752804.db2.gz PAIDQOXCCUBJBO-INIZCTEOSA-N 1 0 356.426 2.357 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184482944 547834885 /nfs/dbraw/zinc/83/48/85/547834885.db2.gz DDVLJOKMLDPCAW-OAHLLOKOSA-N 1 0 355.460 2.279 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000485122539 561313209 /nfs/dbraw/zinc/31/32/09/561313209.db2.gz WPNORNLUUMVJMR-UHFFFAOYSA-N 1 0 360.414 2.259 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000185979840 548068177 /nfs/dbraw/zinc/06/81/77/548068177.db2.gz UEOKFGGWHNJVHS-CXAGYDPISA-N 1 0 365.455 2.232 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)CC1CCCCC1 ZINC000485877528 561330780 /nfs/dbraw/zinc/33/07/80/561330780.db2.gz SDXMAUVAKKVSPG-MRXNPFEDSA-N 1 0 352.431 2.209 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CC2)cc1SC ZINC000186757530 548186775 /nfs/dbraw/zinc/18/67/75/548186775.db2.gz OYVWYDVVGRZVOO-UHFFFAOYSA-N 1 0 353.444 2.492 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000186762036 548187784 /nfs/dbraw/zinc/18/77/84/548187784.db2.gz APTRKRGOPUDCAN-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000486400219 561346327 /nfs/dbraw/zinc/34/63/27/561346327.db2.gz VHJHIUGGYSAYRA-HNNXBMFYSA-N 1 0 369.425 2.378 20 5 FEBDRO Cc1cc(NCc2ncccc2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000486471128 561348173 /nfs/dbraw/zinc/34/81/73/561348173.db2.gz PZIFLHJKHJBUHS-UHFFFAOYSA-N 1 0 372.406 2.284 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000194101393 548435266 /nfs/dbraw/zinc/43/52/66/548435266.db2.gz WIDXEMMZFVCEJD-UHFFFAOYSA-N 1 0 371.441 2.074 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194741267 548524580 /nfs/dbraw/zinc/52/45/80/548524580.db2.gz DJQSBWQILFWKBD-CQSZACIVSA-N 1 0 357.414 2.132 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486869147 561358634 /nfs/dbraw/zinc/35/86/34/561358634.db2.gz PLHWDMJTZRFYFQ-GFCCVEGCSA-N 1 0 364.402 2.105 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000236767478 548779321 /nfs/dbraw/zinc/77/93/21/548779321.db2.gz SXXJJOCPWGDXAO-AWEZNQCLSA-N 1 0 363.414 2.365 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236876560 548785514 /nfs/dbraw/zinc/78/55/14/548785514.db2.gz AOPHKPUCZPGBMQ-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000236946640 548789474 /nfs/dbraw/zinc/78/94/74/548789474.db2.gz PRHNKRJASAHNOO-KGLIPLIRSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237216043 548808883 /nfs/dbraw/zinc/80/88/83/548808883.db2.gz OYBYOTRWKCSXQX-UONOGXRCSA-N 1 0 367.471 2.470 20 5 FEBDRO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000237933689 548865207 /nfs/dbraw/zinc/86/52/07/548865207.db2.gz IKTDILKFWBLYOP-LBPRGKRZSA-N 1 0 361.851 2.434 20 5 FEBDRO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245430324 548916844 /nfs/dbraw/zinc/91/68/44/548916844.db2.gz NMSOJASXCMJENR-GDBMZVCRSA-N 1 0 356.444 2.261 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000245545400 548943530 /nfs/dbraw/zinc/94/35/30/548943530.db2.gz CIBAGQLKNJUDSS-ROUUACIJSA-N 1 0 370.409 2.352 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488057187 561382417 /nfs/dbraw/zinc/38/24/17/561382417.db2.gz VWZUXTRTONWVFL-QGZVFWFLSA-N 1 0 364.446 2.204 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1[N+](=O)[O-] ZINC000246008339 549035820 /nfs/dbraw/zinc/03/58/20/549035820.db2.gz HQEVWEKIZTWOQC-QEORTHHSSA-N 1 0 365.430 2.280 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246115742 549055739 /nfs/dbraw/zinc/05/57/39/549055739.db2.gz IQGROOFXCAQVST-JSGCOSHPSA-N 1 0 355.460 2.254 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000246198195 549075885 /nfs/dbraw/zinc/07/58/85/549075885.db2.gz NDFKZJGFDVVUBT-GXTWGEPZSA-N 1 0 350.419 2.333 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246215674 549080882 /nfs/dbraw/zinc/08/08/82/549080882.db2.gz POTRJMKWTZFGRQ-STQMWFEESA-N 1 0 373.862 2.496 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246516288 549151049 /nfs/dbraw/zinc/15/10/49/549151049.db2.gz UKIXOOXWDATOOZ-BBRMVZONSA-N 1 0 364.446 2.475 20 5 FEBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246814658 549219589 /nfs/dbraw/zinc/21/95/89/549219589.db2.gz SDHFRMUZMVPBTJ-IIDMSEBBSA-N 1 0 361.442 2.238 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246957608 549251686 /nfs/dbraw/zinc/25/16/86/549251686.db2.gz IKQVSAVFXJFUAI-ZFWWWQNUSA-N 1 0 350.419 2.212 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248870083 549518135 /nfs/dbraw/zinc/51/81/35/549518135.db2.gz ZUBUMFYEDPLAFY-DABQJJPHSA-N 1 0 351.403 2.166 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249181785 549565949 /nfs/dbraw/zinc/56/59/49/549565949.db2.gz NILABHXGIIGGQW-ZFWWWQNUSA-N 1 0 362.430 2.030 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1=O ZINC000489675345 561416724 /nfs/dbraw/zinc/41/67/24/561416724.db2.gz FNJITGPZBHCDQM-UHFFFAOYSA-N 1 0 372.425 2.234 20 5 FEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000249383883 549586115 /nfs/dbraw/zinc/58/61/15/549586115.db2.gz PKWSAYDSQYPTGG-CHWSQXEVSA-N 1 0 367.421 2.141 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250706847 549643638 /nfs/dbraw/zinc/64/36/38/549643638.db2.gz ZTYJAKLJENDVCX-TZMCWYRMSA-N 1 0 362.430 2.078 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](c2ccccc2)C1 ZINC000490043138 561425101 /nfs/dbraw/zinc/42/51/01/561425101.db2.gz YKDBPMXJJLFHOU-GJZGRUSLSA-N 1 0 369.377 2.151 20 5 FEBDRO COc1cc(CN2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000261781760 549754894 /nfs/dbraw/zinc/75/48/94/549754894.db2.gz UCPIQBTYLFJNFD-INIZCTEOSA-N 1 0 359.373 2.418 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261868336 549764036 /nfs/dbraw/zinc/76/40/36/549764036.db2.gz XBZVPQVDYWYTKI-JKSUJKDBSA-N 1 0 354.410 2.350 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)c1 ZINC000262178154 549795400 /nfs/dbraw/zinc/79/54/00/549795400.db2.gz WHXORBLSOQQHBD-QGZVFWFLSA-N 1 0 373.482 2.198 20 5 FEBDRO Cc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(N)c([N+](=O)[O-])c1 ZINC000262252984 549802863 /nfs/dbraw/zinc/80/28/63/549802863.db2.gz QIIQXPXHWJWNFS-ZBFHGGJFSA-N 1 0 354.410 2.300 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000490543295 561435008 /nfs/dbraw/zinc/43/50/08/561435008.db2.gz ZWRUIRGJNZWKOG-GOSISDBHSA-N 1 0 357.414 2.113 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000268975591 550139904 /nfs/dbraw/zinc/13/99/04/550139904.db2.gz OVKSCCFOZSRNIN-XJKSGUPXSA-N 1 0 354.428 2.189 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000492816957 561453026 /nfs/dbraw/zinc/45/30/26/561453026.db2.gz QYYAKDDMPJMVIT-PVUWLOKVSA-N 1 0 373.413 2.165 20 5 FEBDRO Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000270078105 550247680 /nfs/dbraw/zinc/24/76/80/550247680.db2.gz JBUTXDXVNYBCQF-AWEZNQCLSA-N 1 0 368.397 2.141 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270166820 550253448 /nfs/dbraw/zinc/25/34/48/550253448.db2.gz BQRSFEHADOKZCH-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000270966774 550326492 /nfs/dbraw/zinc/32/64/92/550326492.db2.gz SKAWYBMPTVVPEP-UHFFFAOYSA-N 1 0 360.458 2.113 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1[NH+](C)C ZINC000271218365 550354512 /nfs/dbraw/zinc/35/45/12/550354512.db2.gz ZLAQWWLQGRCHRM-CVEARBPZSA-N 1 0 362.455 2.123 20 5 FEBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@H]1[NH+](C)C ZINC000271584833 550387611 /nfs/dbraw/zinc/38/76/11/550387611.db2.gz FIIKBQDNGXIMPT-CABCVRRESA-N 1 0 366.443 2.033 20 5 FEBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521067 550455352 /nfs/dbraw/zinc/45/53/52/550455352.db2.gz PXHNNOONLFWLMO-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO Cn1ccnc1[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566945 550458058 /nfs/dbraw/zinc/45/80/58/550458058.db2.gz VFXFBHPWSVTLHS-KDOFPFPSSA-N 1 0 355.442 2.492 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 ZINC000273034357 550481718 /nfs/dbraw/zinc/48/17/18/550481718.db2.gz COUUBBKXGHGRIG-AWEZNQCLSA-N 1 0 366.414 2.457 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035944 550481804 /nfs/dbraw/zinc/48/18/04/550481804.db2.gz NWZDTXWNQFSGCC-INIZCTEOSA-N 1 0 351.447 2.139 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000494628264 561472699 /nfs/dbraw/zinc/47/26/99/561472699.db2.gz BPJKXCIXHPESTE-CQSZACIVSA-N 1 0 361.423 2.177 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000274575625 550544715 /nfs/dbraw/zinc/54/47/15/550544715.db2.gz FRYZOIQDUUJXPL-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2CO)cn1 ZINC000277645526 550696324 /nfs/dbraw/zinc/69/63/24/550696324.db2.gz CNROGBSZVOCGHQ-ZFWWWQNUSA-N 1 0 350.806 2.190 20 5 FEBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCC(C)CC1 ZINC000277670211 550699308 /nfs/dbraw/zinc/69/93/08/550699308.db2.gz HKTIILPEKGDFFA-CYBMUJFWSA-N 1 0 374.445 2.391 20 5 FEBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754040 550710245 /nfs/dbraw/zinc/71/02/45/550710245.db2.gz RTRQPFSODYBJMU-HUUCEWRRSA-N 1 0 364.446 2.456 20 5 FEBDRO COC[C@@](C)([NH3+])CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278492045 550791842 /nfs/dbraw/zinc/79/18/42/550791842.db2.gz PTNGXMLJUUUWOF-JTQLQIEISA-N 1 0 358.267 2.420 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278510518 550793686 /nfs/dbraw/zinc/79/36/86/550793686.db2.gz YCOLBMPTHCBCME-OAHLLOKOSA-N 1 0 359.474 2.169 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270494 550871833 /nfs/dbraw/zinc/87/18/33/550871833.db2.gz NHLCZVWDMUUDTD-KFKAGJAMSA-N 1 0 371.437 2.421 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279852352 550936133 /nfs/dbraw/zinc/93/61/33/550936133.db2.gz BCFXQMUOIWTRET-KRWDZBQOSA-N 1 0 351.403 2.169 20 5 FEBDRO Cn1ccnc1[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCN1C ZINC000280518355 551002753 /nfs/dbraw/zinc/00/27/53/551002753.db2.gz QNNSWSNGYULLDA-GFCCVEGCSA-N 1 0 370.335 2.235 20 5 FEBDRO Cc1c(C(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281585603 551116731 /nfs/dbraw/zinc/11/67/31/551116731.db2.gz BXAAAHTYNOGSJN-UHFFFAOYSA-N 1 0 350.375 2.369 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000281901126 551155207 /nfs/dbraw/zinc/15/52/07/551155207.db2.gz AGFOXUDBLMSZNE-PIGZYNQJSA-N 1 0 350.371 2.092 20 5 FEBDRO Cc1cc(=O)n2nc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)sc2n1 ZINC000282407841 551224657 /nfs/dbraw/zinc/22/46/57/551224657.db2.gz IICVAYSLCIVWTL-UHFFFAOYSA-N 1 0 359.411 2.042 20 5 FEBDRO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000497554943 561503789 /nfs/dbraw/zinc/50/37/89/561503789.db2.gz NWCJRJWYBWAOQD-GFCCVEGCSA-N 1 0 353.444 2.427 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CC2(OCCO)CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000282722652 551263641 /nfs/dbraw/zinc/26/36/41/551263641.db2.gz MAPMTXUNXHAHLX-KRWDZBQOSA-N 1 0 364.442 2.465 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276652 551340388 /nfs/dbraw/zinc/34/03/88/551340388.db2.gz WXHSFCUJCATINT-RYUDHWBXSA-N 1 0 367.402 2.109 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295471 551343374 /nfs/dbraw/zinc/34/33/74/551343374.db2.gz MZKUTHMEIBOVKS-CABCVRRESA-N 1 0 351.428 2.130 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000283474315 551372296 /nfs/dbraw/zinc/37/22/96/551372296.db2.gz IROWXUGLEAELJC-OAHLLOKOSA-N 1 0 357.414 2.348 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284305539 551519445 /nfs/dbraw/zinc/51/94/45/551519445.db2.gz YZAFKDLLORQFRT-CYBMUJFWSA-N 1 0 357.414 2.259 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000284316906 551522573 /nfs/dbraw/zinc/52/25/73/551522573.db2.gz LOXICDYWGBERHG-XPKDYRNWSA-N 1 0 367.446 2.060 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217224 561519068 /nfs/dbraw/zinc/51/90/68/561519068.db2.gz VDWSQQXDMNZGLO-RYUDHWBXSA-N 1 0 373.356 2.076 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313866 561521794 /nfs/dbraw/zinc/52/17/94/561521794.db2.gz ZXWYXNXHWYXKOG-GJZGRUSLSA-N 1 0 361.446 2.267 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@@H]1C ZINC000498552940 561528024 /nfs/dbraw/zinc/52/80/24/561528024.db2.gz DGIFDMQJZGQNJY-STQMWFEESA-N 1 0 372.429 2.039 20 5 FEBDRO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000498919662 561537921 /nfs/dbraw/zinc/53/79/21/561537921.db2.gz WCQYKRAVSPPASE-HNNXBMFYSA-N 1 0 369.425 2.232 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285665551 551791860 /nfs/dbraw/zinc/79/18/60/551791860.db2.gz PYFDJZXTAFUTNR-KGLIPLIRSA-N 1 0 355.460 2.259 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000285667105 551792213 /nfs/dbraw/zinc/79/22/13/551792213.db2.gz ZLAQBQMDHIOQTE-ZBFHGGJFSA-N 1 0 355.460 2.101 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285713943 551799934 /nfs/dbraw/zinc/79/99/34/551799934.db2.gz SMPYOMPPSDCSMC-UHFFFAOYSA-N 1 0 356.417 2.331 20 5 FEBDRO Cn1nccc1C1=CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285763317 551807007 /nfs/dbraw/zinc/80/70/07/551807007.db2.gz XJTIRBZXYAKROU-UHFFFAOYSA-N 1 0 355.398 2.446 20 5 FEBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000286068394 551845011 /nfs/dbraw/zinc/84/50/11/551845011.db2.gz SBTCZOWIBOCPPB-UHFFFAOYSA-N 1 0 355.385 2.417 20 5 FEBDRO COC(=O)c1cc(C)nc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000286544726 551898348 /nfs/dbraw/zinc/89/83/48/551898348.db2.gz PTKWOYPBMPPRPV-LBPRGKRZSA-N 1 0 350.419 2.251 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC000286876740 551935627 /nfs/dbraw/zinc/93/56/27/551935627.db2.gz CDSOIKDFYMXELP-CZUORRHYSA-N 1 0 352.456 2.330 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286878483 551936109 /nfs/dbraw/zinc/93/61/09/551936109.db2.gz ZEAMPPSDYLREAW-BBRMVZONSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286903604 551938277 /nfs/dbraw/zinc/93/82/77/551938277.db2.gz LWGXQUFYUNYHKD-PBHICJAKSA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000287219934 551977851 /nfs/dbraw/zinc/97/78/51/551977851.db2.gz QFCRIOUFYYJUDZ-DOMZBBRYSA-N 1 0 351.378 2.198 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccncc1OCCC[NH+](C)C ZINC000288093674 552089492 /nfs/dbraw/zinc/08/94/92/552089492.db2.gz AFZTWZLXBFEXEA-UHFFFAOYSA-N 1 0 362.434 2.457 20 5 FEBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000288642240 552190540 /nfs/dbraw/zinc/19/05/40/552190540.db2.gz ATBMHSGOGCCAML-HNNXBMFYSA-N 1 0 351.790 2.387 20 5 FEBDRO O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289363543 552307464 /nfs/dbraw/zinc/30/74/64/552307464.db2.gz ZNEHQFDDSXZVQX-IBGZPJMESA-N 1 0 358.442 2.411 20 5 FEBDRO C[C@@H](O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289465741 552326288 /nfs/dbraw/zinc/32/62/88/552326288.db2.gz IPLYIISCJFELHG-SECBINFHSA-N 1 0 364.183 2.450 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000289648883 552355688 /nfs/dbraw/zinc/35/56/88/552355688.db2.gz DGKITUSVBNVVDL-CQSZACIVSA-N 1 0 362.430 2.343 20 5 FEBDRO [NH3+]CCN(Cc1cnc(C2OCCO2)s1)c1ccccc1[N+](=O)[O-] ZINC000289892522 552394998 /nfs/dbraw/zinc/39/49/98/552394998.db2.gz SWZLSGFGRVBXMY-UHFFFAOYSA-N 1 0 350.400 2.062 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289912040 552398669 /nfs/dbraw/zinc/39/86/69/552398669.db2.gz AMTBFLZARIEXKK-CYBMUJFWSA-N 1 0 350.419 2.078 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290075749 552423511 /nfs/dbraw/zinc/42/35/11/552423511.db2.gz INRKFUMCTOSVKK-NEPJUHHUSA-N 1 0 353.806 2.085 20 5 FEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290275404 552452248 /nfs/dbraw/zinc/45/22/48/552452248.db2.gz YYJBHUFKGYAGHR-CHWSQXEVSA-N 1 0 358.423 2.400 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000500783281 561582346 /nfs/dbraw/zinc/58/23/46/561582346.db2.gz ZSMYBOHIIPJRAK-UHFFFAOYSA-N 1 0 368.397 2.070 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808864 552541825 /nfs/dbraw/zinc/54/18/25/552541825.db2.gz QXUROIIBLIMMFF-BBRMVZONSA-N 1 0 369.425 2.411 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000290823816 552544426 /nfs/dbraw/zinc/54/44/26/552544426.db2.gz OYVOPIVAAWLSBN-PBHICJAKSA-N 1 0 374.441 2.038 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000290928545 552563739 /nfs/dbraw/zinc/56/37/39/552563739.db2.gz YKBAWFFGDNDTFM-UONOGXRCSA-N 1 0 362.430 2.085 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291126687 552590234 /nfs/dbraw/zinc/59/02/34/552590234.db2.gz VRUDJZMKLSDJRK-UHFFFAOYSA-N 1 0 357.366 2.484 20 5 FEBDRO COc1cc(CCNC(=O)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000291474151 552627878 /nfs/dbraw/zinc/62/78/78/552627878.db2.gz PQOBTXDBCHROMA-UHFFFAOYSA-N 1 0 365.430 2.003 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000292044684 552687840 /nfs/dbraw/zinc/68/78/40/552687840.db2.gz ZULRDIGVDLUQIT-CQSZACIVSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292836047 552763375 /nfs/dbraw/zinc/76/33/75/552763375.db2.gz BVOMOXXDHIJPCV-MAUKXSAKSA-N 1 0 361.445 2.365 20 5 FEBDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000292980065 552776837 /nfs/dbraw/zinc/77/68/37/552776837.db2.gz HGIGPSLIYGMMOT-INIZCTEOSA-N 1 0 370.471 2.145 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000293455026 552825691 /nfs/dbraw/zinc/82/56/91/552825691.db2.gz QCORRITUDUZMNV-CYBMUJFWSA-N 1 0 374.441 2.175 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000293835000 552860608 /nfs/dbraw/zinc/86/06/08/552860608.db2.gz XQIWEDDKYPDPNB-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO Cc1nn([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128309 552884043 /nfs/dbraw/zinc/88/40/43/552884043.db2.gz FGKPFKIRRLLXEF-ZBFHGGJFSA-N 1 0 357.414 2.051 20 5 FEBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000295267369 552978775 /nfs/dbraw/zinc/97/87/75/552978775.db2.gz JGZBRRRQHSTJLS-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295368578 552995145 /nfs/dbraw/zinc/99/51/45/552995145.db2.gz PBPZJAQIKHLZGS-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000502037012 561610562 /nfs/dbraw/zinc/61/05/62/561610562.db2.gz OADLKAHUZVRWSG-HNNXBMFYSA-N 1 0 357.414 2.204 20 5 FEBDRO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000295543577 553023571 /nfs/dbraw/zinc/02/35/71/553023571.db2.gz IHNMMHGGQVKRIQ-QGZVFWFLSA-N 1 0 351.378 2.300 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000295988333 553085592 /nfs/dbraw/zinc/08/55/92/553085592.db2.gz KMVJQYUEPKDAKA-SJLPKXTDSA-N 1 0 362.426 2.226 20 5 FEBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)oc1C ZINC000502467359 561619105 /nfs/dbraw/zinc/61/91/05/561619105.db2.gz ZTXUVNMHHUXNIF-LBPRGKRZSA-N 1 0 367.427 2.434 20 5 FEBDRO COc1ccc(OC)c(CN2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000296279431 553134385 /nfs/dbraw/zinc/13/43/85/553134385.db2.gz HGMZLEXNSQPSQR-UHFFFAOYSA-N 1 0 373.413 2.033 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000296352605 553146235 /nfs/dbraw/zinc/14/62/35/553146235.db2.gz QMDAVSXDLMPICQ-INIZCTEOSA-N 1 0 353.419 2.075 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCNC(=O)OC(C)(C)C ZINC000297444257 553292924 /nfs/dbraw/zinc/29/29/24/553292924.db2.gz OMQQVBFJVNISIQ-GFCCVEGCSA-N 1 0 366.418 2.378 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000297700843 553327198 /nfs/dbraw/zinc/32/71/98/553327198.db2.gz AUSKJRLEXPZKME-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000297763345 553336132 /nfs/dbraw/zinc/33/61/32/553336132.db2.gz FOFLLBQCJDTYGO-CQSZACIVSA-N 1 0 364.446 2.243 20 5 FEBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923492 553358147 /nfs/dbraw/zinc/35/81/47/553358147.db2.gz QPKGJAWMTGDPBB-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000298147554 553390267 /nfs/dbraw/zinc/39/02/67/553390267.db2.gz DEUVSTGPBILIOC-UHFFFAOYSA-N 1 0 371.459 2.097 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000503527394 561643797 /nfs/dbraw/zinc/64/37/97/561643797.db2.gz YGWLTVPAQDQRJG-ROUUACIJSA-N 1 0 357.410 2.484 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000298662399 553456081 /nfs/dbraw/zinc/45/60/81/553456081.db2.gz GZSHJTNGCFBWBU-UHFFFAOYSA-N 1 0 366.374 2.190 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000298680621 553458107 /nfs/dbraw/zinc/45/81/07/553458107.db2.gz YZMSXDGKYQECOJ-QGZVFWFLSA-N 1 0 370.409 2.472 20 5 FEBDRO COCCCN(CCOC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298792885 553473704 /nfs/dbraw/zinc/47/37/04/553473704.db2.gz SPHZXXUMLSLXPZ-UHFFFAOYSA-N 1 0 350.375 2.130 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113062 553516793 /nfs/dbraw/zinc/51/67/93/553516793.db2.gz WUUYXYVDDODTFL-IRXDYDNUSA-N 1 0 355.398 2.137 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299200892 553529951 /nfs/dbraw/zinc/52/99/51/553529951.db2.gz CWIZSBNPUNRIPL-NEPJUHHUSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000299204609 553530648 /nfs/dbraw/zinc/53/06/48/553530648.db2.gz GCTTUZBIIKVMCP-LBPRGKRZSA-N 1 0 374.441 2.093 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000299245795 553536171 /nfs/dbraw/zinc/53/61/71/553536171.db2.gz XQUVRDUDILUNQM-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000504011060 561651921 /nfs/dbraw/zinc/65/19/21/561651921.db2.gz RECBMDMNCFCSDL-UHFFFAOYSA-N 1 0 373.475 2.343 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299372204 553554358 /nfs/dbraw/zinc/55/43/58/553554358.db2.gz QFQYBAHVOCKCNG-ZDUSSCGKSA-N 1 0 350.419 2.078 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299730188 553608746 /nfs/dbraw/zinc/60/87/46/553608746.db2.gz WQYGJMGVWAPHSQ-ZIAGYGMSSA-N 1 0 362.430 2.091 20 5 FEBDRO C[C@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCOCC1)c1ccccc1 ZINC000301256104 553636227 /nfs/dbraw/zinc/63/62/27/553636227.db2.gz FPWYHLWXXDJESC-ZDUSSCGKSA-N 1 0 372.429 2.279 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000504996413 561665194 /nfs/dbraw/zinc/66/51/94/561665194.db2.gz OANQRTGNZQDUAD-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000301880112 553688048 /nfs/dbraw/zinc/68/80/48/553688048.db2.gz PCVFWUSAXDPGNG-NSHDSACASA-N 1 0 371.235 2.418 20 5 FEBDRO C[N@H+]1C[C@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302844911 553735922 /nfs/dbraw/zinc/73/59/22/553735922.db2.gz FXYODMRHYFXBPQ-AOOOYVTPSA-N 1 0 373.194 2.197 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000505610215 561675259 /nfs/dbraw/zinc/67/52/59/561675259.db2.gz NWQDSKBXAXTVPL-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC000319894248 553764217 /nfs/dbraw/zinc/76/42/17/553764217.db2.gz WKEFRBNVIDVORV-SNVBAGLBSA-N 1 0 359.835 2.201 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000506263411 561694552 /nfs/dbraw/zinc/69/45/52/561694552.db2.gz JJQITHBNBVIHLL-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000506749603 561707795 /nfs/dbraw/zinc/70/77/95/561707795.db2.gz QVCLQSROYNJYSO-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000507459524 561730019 /nfs/dbraw/zinc/73/00/19/561730019.db2.gz GFSVXLKWYYLWDC-SJORKVTESA-N 1 0 367.471 2.432 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000508344542 561759587 /nfs/dbraw/zinc/75/95/87/561759587.db2.gz RHHLESJHIAMAIY-OLZOCXBDSA-N 1 0 363.414 2.232 20 5 FEBDRO CS[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000330902697 554185817 /nfs/dbraw/zinc/18/58/17/554185817.db2.gz XVMYHMOMBTWPNC-COLVAYQJSA-N 1 0 355.435 2.341 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330932016 554190771 /nfs/dbraw/zinc/19/07/71/554190771.db2.gz WPKABYKQSJMBBZ-CYBMUJFWSA-N 1 0 370.247 2.452 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331449501 554266087 /nfs/dbraw/zinc/26/60/87/554266087.db2.gz YVKVECFVVWRHLK-NSHDSACASA-N 1 0 368.231 2.253 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331851149 554330751 /nfs/dbraw/zinc/33/07/51/554330751.db2.gz CZZLGZULHHFHFR-KBPBESRZSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331918267 554346419 /nfs/dbraw/zinc/34/64/19/554346419.db2.gz NYAIIJQPFOVPSE-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331951348 554351427 /nfs/dbraw/zinc/35/14/27/554351427.db2.gz SPMZLAGBIBLRKF-GDBMZVCRSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000332056202 554371259 /nfs/dbraw/zinc/37/12/59/554371259.db2.gz OSYDOFVUMZKWRX-KBPBESRZSA-N 1 0 362.430 2.307 20 5 FEBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070979 554374254 /nfs/dbraw/zinc/37/42/54/554374254.db2.gz WNVMIEFRABIILV-VNHYZAJKSA-N 1 0 363.414 2.374 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000332081943 554376304 /nfs/dbraw/zinc/37/63/04/554376304.db2.gz NHNFLNLCQIQELB-ZFWWWQNUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332225116 554404476 /nfs/dbraw/zinc/40/44/76/554404476.db2.gz BOTOTGFWLHIZTD-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253158 554410345 /nfs/dbraw/zinc/41/03/45/554410345.db2.gz MILHXGSESGUVKZ-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427236 /nfs/dbraw/zinc/42/72/36/554427236.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 1 0 362.474 2.204 20 5 FEBDRO COc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427385 /nfs/dbraw/zinc/42/73/85/554427385.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 1 0 362.474 2.204 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332472571 554452629 /nfs/dbraw/zinc/45/26/29/554452629.db2.gz KLDDFOQOLJVKQF-UONOGXRCSA-N 1 0 362.430 2.101 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000360828289 554891568 /nfs/dbraw/zinc/89/15/68/554891568.db2.gz IUYYTJZEBXFWLX-YOEHRIQHSA-N 1 0 361.446 2.085 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000361700192 554930416 /nfs/dbraw/zinc/93/04/16/554930416.db2.gz JQJBOUJPGLQDKJ-UHFFFAOYSA-N 1 0 365.349 2.142 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290416 554961080 /nfs/dbraw/zinc/96/10/80/554961080.db2.gz RODBERZZWFBKRK-WFASDCNBSA-N 1 0 362.386 2.286 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](CCc2ccncc2)CC1 ZINC000362994653 555006391 /nfs/dbraw/zinc/00/63/91/555006391.db2.gz OQDKOSXZOFWIKH-UHFFFAOYSA-N 1 0 368.437 2.356 20 5 FEBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118321 555033994 /nfs/dbraw/zinc/03/39/94/555033994.db2.gz WKSIVGKUUODFLQ-ITDIGPHOSA-N 1 0 351.353 2.429 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424294 555102140 /nfs/dbraw/zinc/10/21/40/555102140.db2.gz QIXYMACANZTIAS-OLMNPRSZSA-N 1 0 361.442 2.143 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000363700495 555167400 /nfs/dbraw/zinc/16/74/00/555167400.db2.gz YYWVTCRBLFZEEP-MRXNPFEDSA-N 1 0 357.414 2.330 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000363732845 555174461 /nfs/dbraw/zinc/17/44/61/555174461.db2.gz DEHRGDDBHWNBPK-HZPDHXFCSA-N 1 0 359.357 2.309 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccc(F)cc1 ZINC000363745795 555177554 /nfs/dbraw/zinc/17/75/54/555177554.db2.gz PVUASLGEKNXKJV-LSDHHAIUSA-N 1 0 369.356 2.177 20 5 FEBDRO Nc1ncnc2sc3c(c21)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C3 ZINC000364079186 555245763 /nfs/dbraw/zinc/24/57/63/555245763.db2.gz KRUPCADRNQLJRU-ZDUSSCGKSA-N 1 0 371.422 2.273 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000364198205 555267837 /nfs/dbraw/zinc/26/78/37/555267837.db2.gz XGVKXTGAYQQJCL-JKSUJKDBSA-N 1 0 374.328 2.209 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](COC(C)C)C1 ZINC000364202455 555268754 /nfs/dbraw/zinc/26/87/54/555268754.db2.gz KFTOCEHYLSWBIC-MRXNPFEDSA-N 1 0 365.430 2.358 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364253129 555279258 /nfs/dbraw/zinc/27/92/58/555279258.db2.gz DEQYOJVTCOUBAP-UHFFFAOYSA-N 1 0 351.447 2.142 20 5 FEBDRO COc1cc(CCNC(=O)C[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000364260240 555279805 /nfs/dbraw/zinc/27/98/05/555279805.db2.gz VAVYTOTVVYWARK-CYBMUJFWSA-N 1 0 365.430 2.051 20 5 FEBDRO COc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364308402 555288644 /nfs/dbraw/zinc/28/86/44/555288644.db2.gz XABFMCOPYJGARC-CABCVRRESA-N 1 0 359.357 2.309 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364375315 555301754 /nfs/dbraw/zinc/30/17/54/555301754.db2.gz ADEOULNUGQMYBI-RBSFLKMASA-N 1 0 364.450 2.011 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512402572 561903581 /nfs/dbraw/zinc/90/35/81/561903581.db2.gz CRAGXQREIWBCKI-UHFFFAOYSA-N 1 0 357.414 2.398 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)CC2 ZINC000364675322 555371071 /nfs/dbraw/zinc/37/10/71/555371071.db2.gz LUAUAFOZRZAHFG-KRWDZBQOSA-N 1 0 372.425 2.175 20 5 FEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000512618048 561910300 /nfs/dbraw/zinc/91/03/00/561910300.db2.gz HOAFJCDAZYHAAJ-IOASZLSFSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365332113 555545270 /nfs/dbraw/zinc/54/52/70/555545270.db2.gz RBCUBZKQGAVZBM-JYYRGQEPSA-N 1 0 372.469 2.240 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365546341 555605449 /nfs/dbraw/zinc/60/54/49/555605449.db2.gz KZZKIEKOBFMIGS-HZUKXOBISA-N 1 0 355.398 2.027 20 5 FEBDRO Cc1cc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1[N+](=O)[O-] ZINC000365849752 555682487 /nfs/dbraw/zinc/68/24/87/555682487.db2.gz QJLOLMRDGRNGKG-UHFFFAOYSA-N 1 0 358.402 3.010 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366197444 555778706 /nfs/dbraw/zinc/77/87/06/555778706.db2.gz SIWFSVVHHIZCEF-HNNXBMFYSA-N 1 0 355.398 2.027 20 5 FEBDRO CC[NH+](CC)CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000513881108 561953145 /nfs/dbraw/zinc/95/31/45/561953145.db2.gz KEJUHXOFRJZGFV-UHFFFAOYSA-N 1 0 354.476 2.146 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000366550738 555874211 /nfs/dbraw/zinc/87/42/11/555874211.db2.gz GOTPVQSZXDLRHX-KBPBESRZSA-N 1 0 365.434 2.123 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000366550739 555874305 /nfs/dbraw/zinc/87/43/05/555874305.db2.gz GOTPVQSZXDLRHX-KGLIPLIRSA-N 1 0 365.434 2.123 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000366824197 555944210 /nfs/dbraw/zinc/94/42/10/555944210.db2.gz OSVBRPYAQTVIOZ-OAHLLOKOSA-N 1 0 356.430 2.458 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367292870 556009933 /nfs/dbraw/zinc/00/99/33/556009933.db2.gz WEZAWJVQAMKJIN-MRXNPFEDSA-N 1 0 350.438 2.193 20 5 FEBDRO Cc1cccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000367454466 556054458 /nfs/dbraw/zinc/05/44/58/556054458.db2.gz QFZSNBGYGINJMO-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000514934943 561987692 /nfs/dbraw/zinc/98/76/92/561987692.db2.gz SOLUMDZRKOEJSC-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000368058228 556207095 /nfs/dbraw/zinc/20/70/95/556207095.db2.gz JUZNJODLFGPFMN-UHFFFAOYSA-N 1 0 369.425 2.009 20 5 FEBDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000368292114 556270676 /nfs/dbraw/zinc/27/06/76/556270676.db2.gz TVHIQUQKUMQPIR-ZFWWWQNUSA-N 1 0 367.450 2.417 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368427385 556305646 /nfs/dbraw/zinc/30/56/46/556305646.db2.gz UKGPXMKGLISIOZ-INIZCTEOSA-N 1 0 366.381 2.454 20 5 FEBDRO CC1(C)CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@]2(CCOC2)O1 ZINC000368447456 556312186 /nfs/dbraw/zinc/31/21/86/556312186.db2.gz RUDCXQLRMAJDRL-GOSISDBHSA-N 1 0 374.397 2.415 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000368753643 556405986 /nfs/dbraw/zinc/40/59/86/556405986.db2.gz KFQBLCMWMLUVBR-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368931213 556451566 /nfs/dbraw/zinc/45/15/66/556451566.db2.gz MFRCBKLXGBYVNQ-UHFFFAOYSA-N 1 0 355.398 2.313 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007040 556474066 /nfs/dbraw/zinc/47/40/66/556474066.db2.gz BTSFNULYDLNHKA-DOTOQJQBSA-N 1 0 360.414 2.177 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)CC1 ZINC000515815855 562022690 /nfs/dbraw/zinc/02/26/90/562022690.db2.gz ODIANPCBHDHPLI-UHFFFAOYSA-N 1 0 371.441 2.323 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000369229101 556542424 /nfs/dbraw/zinc/54/24/24/556542424.db2.gz DIOKMESDTWSAMP-ZDUSSCGKSA-N 1 0 356.382 2.159 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274702 556560215 /nfs/dbraw/zinc/56/02/15/556560215.db2.gz RJUCBKMPDJSCMV-ZDUSSCGKSA-N 1 0 366.849 2.147 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369536332 556624574 /nfs/dbraw/zinc/62/45/74/556624574.db2.gz GGBHGXUSCBJFPE-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113803 556784648 /nfs/dbraw/zinc/78/46/48/556784648.db2.gz VNBKBVOCHAPSGV-FUHWJXTLSA-N 1 0 373.409 2.191 20 5 FEBDRO CCn1ccnc1CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370157819 556796863 /nfs/dbraw/zinc/79/68/63/556796863.db2.gz ANAQYADLBSVTDJ-CQSZACIVSA-N 1 0 373.413 2.189 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H](OC)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349426 556847368 /nfs/dbraw/zinc/84/73/68/556847368.db2.gz QIWJGXBCEJUAGO-HOTGVXAUSA-N 1 0 352.387 2.016 20 5 FEBDRO CC[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000516761492 562056726 /nfs/dbraw/zinc/05/67/26/562056726.db2.gz GTLCEGUBBWNXLQ-KGLIPLIRSA-N 1 0 368.821 2.253 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000517231179 562081219 /nfs/dbraw/zinc/08/12/19/562081219.db2.gz VAXLOTHOADGUDJ-SUMDDJOVSA-N 1 0 373.409 2.239 20 5 FEBDRO CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284767 557131378 /nfs/dbraw/zinc/13/13/78/557131378.db2.gz UTMBYGBYNAOSHG-HNNXBMFYSA-N 1 0 359.430 2.241 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000371334902 557150983 /nfs/dbraw/zinc/15/09/83/557150983.db2.gz HPMBAZZGAIRSPJ-AWEZNQCLSA-N 1 0 363.462 2.445 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000518103929 562104637 /nfs/dbraw/zinc/10/46/37/562104637.db2.gz MVLWIJPZOVYVGQ-OKILXGFUSA-N 1 0 362.430 2.221 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000372028936 557361096 /nfs/dbraw/zinc/36/10/96/557361096.db2.gz UHINHIVSVFKOGY-VDZJLULYSA-N 1 0 372.469 2.336 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372157254 557394508 /nfs/dbraw/zinc/39/45/08/557394508.db2.gz RKIIKPKCQNPLNN-IHRRRGAJSA-N 1 0 363.414 2.289 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372156393 557394744 /nfs/dbraw/zinc/39/47/44/557394744.db2.gz KHIOCXUHTLMPFA-KBPBESRZSA-N 1 0 363.414 2.290 20 5 FEBDRO C[C@H](C(=O)NCc1cccs1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372281462 557428634 /nfs/dbraw/zinc/42/86/34/557428634.db2.gz ITDXIZVHQXXOLT-OLZOCXBDSA-N 1 0 363.443 2.195 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372296552 557432381 /nfs/dbraw/zinc/43/23/81/557432381.db2.gz RJZZALRXNCJYBN-FUHWJXTLSA-N 1 0 350.415 2.226 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372695706 557540085 /nfs/dbraw/zinc/54/00/85/557540085.db2.gz SGJDVMOGJUOARR-WMZOPIPTSA-N 1 0 361.442 2.145 20 5 FEBDRO C[C@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372783239 557561831 /nfs/dbraw/zinc/56/18/31/557561831.db2.gz QSBRMQFVUBAJDF-HNNXBMFYSA-N 1 0 360.458 2.332 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373081716 557624031 /nfs/dbraw/zinc/62/40/31/557624031.db2.gz SGSRVDHOSSMQBL-KDOFPFPSSA-N 1 0 371.441 2.450 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]2)CC1 ZINC000373292270 557666588 /nfs/dbraw/zinc/66/65/88/557666588.db2.gz OEDXZSCDEPQSAV-VOTSOKGWSA-N 1 0 355.398 2.710 20 5 FEBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000520265220 562152066 /nfs/dbraw/zinc/15/20/66/562152066.db2.gz QXARHRMXBDHYSQ-AWEZNQCLSA-N 1 0 350.419 2.005 20 5 FEBDRO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000520365613 562154437 /nfs/dbraw/zinc/15/44/37/562154437.db2.gz VOQAXTZIKXKXGA-MRXNPFEDSA-N 1 0 369.425 2.304 20 5 FEBDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582809 557722827 /nfs/dbraw/zinc/72/28/27/557722827.db2.gz IAILUYXCMQWSKS-RDJZCZTQSA-N 1 0 360.414 2.177 20 5 FEBDRO Cc1cc(C)nc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000373755044 557752518 /nfs/dbraw/zinc/75/25/18/557752518.db2.gz UUNWLFVHKJOTJX-UHFFFAOYSA-N 1 0 357.414 2.043 20 5 FEBDRO O=C1[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCOCC1 ZINC000373925613 557788417 /nfs/dbraw/zinc/78/84/17/557788417.db2.gz YAEJNPPQXHTBHX-MSOLQXFVSA-N 1 0 359.426 2.342 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000521047009 562168465 /nfs/dbraw/zinc/16/84/65/562168465.db2.gz GGDRGFPUYGPMHE-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000374423951 557882187 /nfs/dbraw/zinc/88/21/87/557882187.db2.gz URDROAUIEDZKNG-YOGCLGLASA-N 1 0 356.382 2.333 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccccc1 ZINC000374425574 557882551 /nfs/dbraw/zinc/88/25/51/557882551.db2.gz XOGZSHWUONVFIZ-LSDHHAIUSA-N 1 0 351.366 2.038 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374438395 557884157 /nfs/dbraw/zinc/88/41/57/557884157.db2.gz QGIXKVLXENGVAO-QGZVFWFLSA-N 1 0 369.425 2.385 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000374632550 557909529 /nfs/dbraw/zinc/90/95/29/557909529.db2.gz RRTJKAWKUUDGFF-UBHSHLNASA-N 1 0 363.414 2.202 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375032742 557967419 /nfs/dbraw/zinc/96/74/19/557967419.db2.gz SVHYDYILPMEYNI-NHYWBVRUSA-N 1 0 352.822 2.213 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375102273 557978248 /nfs/dbraw/zinc/97/82/48/557978248.db2.gz SVDWHHIWVVJEGZ-UHFFFAOYSA-N 1 0 362.430 2.388 20 5 FEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cccc1[N+](=O)[O-] ZINC000375501791 558038972 /nfs/dbraw/zinc/03/89/72/558038972.db2.gz HDJCIBIABCEOSZ-WPKBUWHJSA-N 1 0 357.414 2.307 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375616550 558057654 /nfs/dbraw/zinc/05/76/54/558057654.db2.gz CFRXNKVMGCLCCW-GOSISDBHSA-N 1 0 363.414 2.113 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000376013253 558113623 /nfs/dbraw/zinc/11/36/23/558113623.db2.gz HCVUWAFAQOIWHT-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000376216342 558142638 /nfs/dbraw/zinc/14/26/38/558142638.db2.gz ACMPCYRGAFRMCZ-CFVMTHIKSA-N 1 0 360.414 2.005 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000376467840 558176946 /nfs/dbraw/zinc/17/69/46/558176946.db2.gz HNRWPMJXMGVCRP-UHFFFAOYSA-N 1 0 364.450 2.011 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1C[C@H](F)CN1Cc1cncnc1)CCN2 ZINC000376471998 558177724 /nfs/dbraw/zinc/17/77/24/558177724.db2.gz BZWBOHRNAWAWFL-KBPBESRZSA-N 1 0 372.404 2.377 20 5 FEBDRO COc1cc(OCC(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000376601070 558196081 /nfs/dbraw/zinc/19/60/81/558196081.db2.gz XFSFGXXJNFIVPV-UHFFFAOYSA-N 1 0 363.414 2.115 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000376749049 558216640 /nfs/dbraw/zinc/21/66/40/558216640.db2.gz OAQOFHLZWNHGPY-CQSZACIVSA-N 1 0 359.835 2.012 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000378157794 558492833 /nfs/dbraw/zinc/49/28/33/558492833.db2.gz BDRLVXHXKJPSAL-CQSZACIVSA-N 1 0 371.393 2.329 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000378222766 558505574 /nfs/dbraw/zinc/50/55/74/558505574.db2.gz IBTSWTIWLKYGCT-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000523287532 562210419 /nfs/dbraw/zinc/21/04/19/562210419.db2.gz MPJRIHZWIMTPFY-KRWDZBQOSA-N 1 0 371.441 2.480 20 5 FEBDRO CN(C(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2)C1CC1 ZINC000378510524 558572661 /nfs/dbraw/zinc/57/26/61/558572661.db2.gz WYRQWJXRKDMXBG-ZWKOTPCHSA-N 1 0 373.453 2.351 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408063826 558642725 /nfs/dbraw/zinc/64/27/25/558642725.db2.gz XCXVKLSFGRVBCR-KGLIPLIRSA-N 1 0 373.862 2.462 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408067952 558643279 /nfs/dbraw/zinc/64/32/79/558643279.db2.gz GAOYLTUNQVPSRS-HUUCEWRRSA-N 1 0 360.458 2.362 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000408340609 558668786 /nfs/dbraw/zinc/66/87/86/558668786.db2.gz WPCNORUWBFECKS-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000411419319 558891381 /nfs/dbraw/zinc/89/13/81/558891381.db2.gz KGTBGOVRKVXVJK-HIFRSBDPSA-N 1 0 362.430 2.030 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501286 562249432 /nfs/dbraw/zinc/24/94/32/562249432.db2.gz VQIBJVAKBQNQTK-TZMCWYRMSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000411500653 558906431 /nfs/dbraw/zinc/90/64/31/558906431.db2.gz RXUGDLVDXLJZBW-GFCCVEGCSA-N 1 0 361.402 2.359 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411520413 558909739 /nfs/dbraw/zinc/90/97/39/558909739.db2.gz QFSUOERZGVGVFW-YIONKMFJSA-N 1 0 374.441 2.234 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411680538 558942615 /nfs/dbraw/zinc/94/26/15/558942615.db2.gz XNXNPHKJPJJODN-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CNC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411683164 558943284 /nfs/dbraw/zinc/94/32/84/558943284.db2.gz QTLKXOSWAHWIJL-KRWDZBQOSA-N 1 0 370.409 2.390 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411783574 558962285 /nfs/dbraw/zinc/96/22/85/558962285.db2.gz HYPZEZWPFXGALZ-INIZCTEOSA-N 1 0 350.419 2.016 20 5 FEBDRO CN(C(=O)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3)c1ccc([N+](=O)[O-])cc1 ZINC000412009023 559001835 /nfs/dbraw/zinc/00/18/35/559001835.db2.gz ZQYJLFKQKSJCBH-UHFFFAOYSA-N 1 0 373.453 2.334 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412076056 559010206 /nfs/dbraw/zinc/01/02/06/559010206.db2.gz JJBGLKXNNIHUEU-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412158930 559017525 /nfs/dbraw/zinc/01/75/25/559017525.db2.gz RBUVMQNFPGLCKM-CYBMUJFWSA-N 1 0 367.421 2.475 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000412382859 559032216 /nfs/dbraw/zinc/03/22/16/559032216.db2.gz IBHGJDKCUZAVOO-CQSZACIVSA-N 1 0 370.409 2.290 20 5 FEBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@H+](C)C1 ZINC000413505628 559112664 /nfs/dbraw/zinc/11/26/64/559112664.db2.gz VFNPAVNQAMPKFN-CYBMUJFWSA-N 1 0 365.430 2.313 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000414195534 559152391 /nfs/dbraw/zinc/15/23/91/559152391.db2.gz WTTOMIUEYKLDCA-MMPTUQATSA-N 1 0 351.403 2.334 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000414192955 559152396 /nfs/dbraw/zinc/15/23/96/559152396.db2.gz UCSOODPDXSSCNE-MRXNPFEDSA-N 1 0 363.458 2.435 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414271390 559154678 /nfs/dbraw/zinc/15/46/78/559154678.db2.gz WLRXTGASKYPGGY-LBPRGKRZSA-N 1 0 371.459 2.115 20 5 FEBDRO CCOc1cc(NC(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC ZINC000414761737 559185816 /nfs/dbraw/zinc/18/58/16/559185816.db2.gz UQBAAVZUPATHTF-UHFFFAOYSA-N 1 0 352.391 2.347 20 5 FEBDRO COc1cc(CNC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414779751 559187130 /nfs/dbraw/zinc/18/71/30/559187130.db2.gz ANIMOXDBRVDMKE-UHFFFAOYSA-N 1 0 363.336 2.386 20 5 FEBDRO C[NH2+]Cc1ccccc1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414866697 559191750 /nfs/dbraw/zinc/19/17/50/559191750.db2.gz MLPZWSYXPFGUMC-UHFFFAOYSA-N 1 0 359.382 2.478 20 5 FEBDRO COC(=O)COc1ccc(CNC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414925308 559195453 /nfs/dbraw/zinc/19/54/53/559195453.db2.gz IOZAPSPDNPPUNA-MRXNPFEDSA-N 1 0 365.430 2.014 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)nn1 ZINC000415137225 559207834 /nfs/dbraw/zinc/20/78/34/559207834.db2.gz YAUHSUXYABAMFR-AWEZNQCLSA-N 1 0 350.810 2.136 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606391 559254773 /nfs/dbraw/zinc/25/47/73/559254773.db2.gz YVQVCBSSCPBHSY-AAEUAGOBSA-N 1 0 364.402 2.329 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415654217 559258546 /nfs/dbraw/zinc/25/85/46/559258546.db2.gz GPDYRDPZFXLPPD-UHFFFAOYSA-N 1 0 370.409 2.219 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415707418 559264176 /nfs/dbraw/zinc/26/41/76/559264176.db2.gz VZWQOGWYMOBOSP-QPUJVOFHSA-N 1 0 357.208 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416531426 559320112 /nfs/dbraw/zinc/32/01/12/559320112.db2.gz VANNBPFTIXOYPF-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000417172908 559351358 /nfs/dbraw/zinc/35/13/58/559351358.db2.gz GLKYHRNUSWACKJ-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000417198222 559352602 /nfs/dbraw/zinc/35/26/02/559352602.db2.gz QTJXSCXVWQNQKP-GJZGRUSLSA-N 1 0 362.430 2.135 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417237068 559354310 /nfs/dbraw/zinc/35/43/10/559354310.db2.gz VRXXHILBAAKUTQ-ZWKOTPCHSA-N 1 0 354.410 2.192 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000417999365 559385941 /nfs/dbraw/zinc/38/59/41/559385941.db2.gz WGMSBCOTBXDXOJ-JTQLQIEISA-N 1 0 350.753 2.072 20 5 FEBDRO C[C@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000418236184 559395050 /nfs/dbraw/zinc/39/50/50/559395050.db2.gz ULJVPEOVMDAVMI-DZGCQCFKSA-N 1 0 362.430 2.053 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418597758 559407407 /nfs/dbraw/zinc/40/74/07/559407407.db2.gz YHQAUPWUXJBGAX-KGLIPLIRSA-N 1 0 362.430 2.418 20 5 FEBDRO COc1ccc(NC(=O)CN(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000419374009 559439927 /nfs/dbraw/zinc/43/99/27/559439927.db2.gz JYXXUOYHVRVFNO-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420402331 559485724 /nfs/dbraw/zinc/48/57/24/559485724.db2.gz LZIUSHTVQKMVMP-JSGCOSHPSA-N 1 0 370.409 2.320 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420411950 559486477 /nfs/dbraw/zinc/48/64/77/559486477.db2.gz YVJBCSUJYJHYOU-CJNGLKHVSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420467135 559489050 /nfs/dbraw/zinc/48/90/50/559489050.db2.gz NBPYTRHLURZTMD-GHMZBOCLSA-N 1 0 361.851 2.352 20 5 FEBDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925187 559511651 /nfs/dbraw/zinc/51/16/51/559511651.db2.gz LDESIADTFBJDSY-ZIAGYGMSSA-N 1 0 365.430 2.199 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000527288834 562284018 /nfs/dbraw/zinc/28/40/18/562284018.db2.gz HBDFRCXZRRHNPS-RAXLEYEMSA-N 1 0 355.460 2.306 20 5 FEBDRO COC1([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421406139 559541495 /nfs/dbraw/zinc/54/14/95/559541495.db2.gz SQDFEYFTFJCZPK-ZIAGYGMSSA-N 1 0 365.430 2.486 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421409988 559541587 /nfs/dbraw/zinc/54/15/87/559541587.db2.gz OEXFFYZAUNINLZ-AWEZNQCLSA-N 1 0 364.398 2.026 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc([N+](=O)[O-])c1 ZINC000422850320 559608553 /nfs/dbraw/zinc/60/85/53/559608553.db2.gz NFAVINXCSICPEA-QGZVFWFLSA-N 1 0 351.403 2.265 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000423418093 559628611 /nfs/dbraw/zinc/62/86/11/559628611.db2.gz UDNMSVQJDARUAL-IUODEOHRSA-N 1 0 355.398 2.336 20 5 FEBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423608210 559633754 /nfs/dbraw/zinc/63/37/54/559633754.db2.gz KJXRGCQMZZUTRI-HUUCEWRRSA-N 1 0 357.414 2.130 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423960228 559648063 /nfs/dbraw/zinc/64/80/63/559648063.db2.gz CMMXQOWSVHLOFV-JKSUJKDBSA-N 1 0 355.394 2.236 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000424011603 559650817 /nfs/dbraw/zinc/65/08/17/559650817.db2.gz NJDWKYUBVAQRQJ-DLBZAZTESA-N 1 0 359.357 2.066 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C[NH3+] ZINC000424014565 559650969 /nfs/dbraw/zinc/65/09/69/559650969.db2.gz LSUGSMBMAAQGRE-ZJUUUORDSA-N 1 0 356.220 2.414 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000424084212 559654256 /nfs/dbraw/zinc/65/42/56/559654256.db2.gz XTYUEVPJSCABNC-CYBMUJFWSA-N 1 0 357.366 2.142 20 5 FEBDRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000424191976 559657070 /nfs/dbraw/zinc/65/70/70/559657070.db2.gz QVORCBXBWWOMDE-BEFAXECRSA-N 1 0 371.441 2.254 20 5 FEBDRO COc1cc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1OC ZINC000424232250 559658872 /nfs/dbraw/zinc/65/88/72/559658872.db2.gz HAKBVAXNBYJDNM-GFCCVEGCSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000424463157 559666246 /nfs/dbraw/zinc/66/62/46/559666246.db2.gz GWDUHLWKBNDCRY-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429628 559701994 /nfs/dbraw/zinc/70/19/94/559701994.db2.gz AFABFWSCUYGBQZ-NEPJUHHUSA-N 1 0 356.220 2.491 20 5 FEBDRO C[C@@H]1CCCN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000427617574 559758906 /nfs/dbraw/zinc/75/89/06/559758906.db2.gz IJDKXAGMMOUYFA-CQSZACIVSA-N 1 0 358.442 2.481 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+](CC2CC2)CC1 ZINC000427921908 559765272 /nfs/dbraw/zinc/76/52/72/559765272.db2.gz JEPSNEVCERADRM-UHFFFAOYSA-N 1 0 370.409 2.076 20 5 FEBDRO COc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428529635 559777282 /nfs/dbraw/zinc/77/72/82/559777282.db2.gz HOOIREVVRXPFPQ-HNNXBMFYSA-N 1 0 371.393 2.422 20 5 FEBDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000428543805 559777826 /nfs/dbraw/zinc/77/78/26/559777826.db2.gz WZHIQUSUWLKCLZ-UHFFFAOYSA-N 1 0 364.423 2.305 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000428950553 559786499 /nfs/dbraw/zinc/78/64/99/559786499.db2.gz CHSWXGNJLGHDDU-OCCSQVGLSA-N 1 0 367.471 2.341 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000429180825 559792504 /nfs/dbraw/zinc/79/25/04/559792504.db2.gz YHRRKYMVFIYFHW-AAEUAGOBSA-N 1 0 353.444 2.032 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)C1 ZINC000429476860 559799466 /nfs/dbraw/zinc/79/94/66/559799466.db2.gz ZBEOSVLKXLLCFO-MRXNPFEDSA-N 1 0 371.441 2.138 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000429568473 559801593 /nfs/dbraw/zinc/80/15/93/559801593.db2.gz OIVJMRSKJMNVHK-RISCZKNCSA-N 1 0 372.381 2.451 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429579434 559802018 /nfs/dbraw/zinc/80/20/18/559802018.db2.gz WWXWYSIKGCHXJK-YGRLFVJLSA-N 1 0 360.418 2.486 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430239607 559815902 /nfs/dbraw/zinc/81/59/02/559815902.db2.gz KVOQEKYHSWAIMS-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000430448592 559820297 /nfs/dbraw/zinc/82/02/97/559820297.db2.gz PILIEAOQFQRPHU-UHFFFAOYSA-N 1 0 373.413 2.384 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430596887 559824268 /nfs/dbraw/zinc/82/42/68/559824268.db2.gz XYIVAMXKQCSQNI-WFASDCNBSA-N 1 0 350.419 2.134 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000430635611 559825286 /nfs/dbraw/zinc/82/52/86/559825286.db2.gz VUVGLLMMSHWIIJ-MRXNPFEDSA-N 1 0 357.414 2.289 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430697790 559826635 /nfs/dbraw/zinc/82/66/35/559826635.db2.gz LYCXWLCDTDKFGN-MRXNPFEDSA-N 1 0 357.414 2.289 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000434701789 559906416 /nfs/dbraw/zinc/90/64/16/559906416.db2.gz HRSCLCLYYIMKHZ-JOYOIKCWSA-N 1 0 361.320 2.406 20 5 FEBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000434772604 559908972 /nfs/dbraw/zinc/90/89/72/559908972.db2.gz GNHNCFBWYZYWHO-IUODEOHRSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1cc(CN(C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380860 559921778 /nfs/dbraw/zinc/92/17/78/559921778.db2.gz UCUFLSQMKSHHTM-UHFFFAOYSA-N 1 0 359.373 2.431 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437755377 559969117 /nfs/dbraw/zinc/96/91/17/559969117.db2.gz FQDSEBFSPVZHGO-KBMXLJTQSA-N 1 0 351.378 2.058 20 5 FEBDRO COc1ccc(CSCC(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000438516908 559980033 /nfs/dbraw/zinc/98/00/33/559980033.db2.gz KWGKXEZOPPNPQT-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000440071689 560004284 /nfs/dbraw/zinc/00/42/84/560004284.db2.gz BZQBDEYWSDXPBZ-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000440823431 560018973 /nfs/dbraw/zinc/01/89/73/560018973.db2.gz VLRASYBKMKEEAJ-YLJYHZDGSA-N 1 0 372.421 2.148 20 5 FEBDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000441095431 560023657 /nfs/dbraw/zinc/02/36/57/560023657.db2.gz RCKNDMDICHUVBR-GHMZBOCLSA-N 1 0 368.821 2.128 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000441184748 560025826 /nfs/dbraw/zinc/02/58/26/560025826.db2.gz WZKMQRJVJHYAHG-UHFFFAOYSA-N 1 0 365.430 2.219 20 5 FEBDRO COCCOC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441392718 560031345 /nfs/dbraw/zinc/03/13/45/560031345.db2.gz DCCMENPUXOLXMZ-UHFFFAOYSA-N 1 0 354.403 2.110 20 5 FEBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000444274002 560107654 /nfs/dbraw/zinc/10/76/54/560107654.db2.gz WCUWTYIEZUWSBK-SNVBAGLBSA-N 1 0 361.320 2.408 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000447240731 560158456 /nfs/dbraw/zinc/15/84/56/560158456.db2.gz SNIQYGAHSHHILS-BTOWRCTQSA-N 1 0 373.862 2.433 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cn3c(n2)SCC3)n1 ZINC000447595910 560165068 /nfs/dbraw/zinc/16/50/68/560165068.db2.gz BBKAVWKCHBUQEW-UONOGXRCSA-N 1 0 362.459 2.410 20 5 FEBDRO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C1CCN(C)CC1 ZINC000447687739 560167210 /nfs/dbraw/zinc/16/72/10/560167210.db2.gz VHYBITCKLUAVCK-ZDUSSCGKSA-N 1 0 358.446 2.076 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726840 560196711 /nfs/dbraw/zinc/19/67/11/560196711.db2.gz VGXFBQYRPPQKHP-CABCVRRESA-N 1 0 355.398 2.137 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000449070145 560214769 /nfs/dbraw/zinc/21/47/69/560214769.db2.gz BDNFXWGNGDXOPJ-SWLSCSKDSA-N 1 0 363.414 2.234 20 5 FEBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000449097223 560215576 /nfs/dbraw/zinc/21/55/76/560215576.db2.gz CGICEROHFPUWSY-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156863 560218510 /nfs/dbraw/zinc/21/85/10/560218510.db2.gz TWASIULJGYGGCV-BBRMVZONSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170267 560219007 /nfs/dbraw/zinc/21/90/07/560219007.db2.gz GAQUVOMLTUGRIO-UKRRQHHQSA-N 1 0 357.414 2.045 20 5 FEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000449723653 560238277 /nfs/dbraw/zinc/23/82/77/560238277.db2.gz XHMBPKXDYMWMMN-VHSXEESVSA-N 1 0 361.320 2.393 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148575 560252271 /nfs/dbraw/zinc/25/22/71/560252271.db2.gz PZNJHRRUWAWNOL-FZMZJTMJSA-N 1 0 351.378 2.299 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148574 560252280 /nfs/dbraw/zinc/25/22/80/560252280.db2.gz PZNJHRRUWAWNOL-BXUZGUMPSA-N 1 0 351.378 2.299 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450257400 560256009 /nfs/dbraw/zinc/25/60/09/560256009.db2.gz LKGHHWMTCUZPIG-UHFFFAOYSA-N 1 0 372.425 2.830 20 5 FEBDRO CCC(=O)c1ccc(NC[C@H]2CCCN(CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000450541483 560265504 /nfs/dbraw/zinc/26/55/04/560265504.db2.gz SKFQNWMJPGGSFQ-CYBMUJFWSA-N 1 0 363.414 2.484 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCC[N@H+]3CCCO)n2)cc1 ZINC000450596687 560267470 /nfs/dbraw/zinc/26/74/70/560267470.db2.gz NSYDJOSCNRUXNX-HNNXBMFYSA-N 1 0 362.455 2.977 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341100 560301274 /nfs/dbraw/zinc/30/12/74/560301274.db2.gz KRVNRUWYDRBXKH-LMMKCTJWSA-N 1 0 373.453 2.499 20 5 FEBDRO CC1(C)C[C@@H](O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451804109 560329577 /nfs/dbraw/zinc/32/95/77/560329577.db2.gz APSUSVANBBOXRX-AWEZNQCLSA-N 1 0 363.414 2.376 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452015583 560345629 /nfs/dbraw/zinc/34/56/29/560345629.db2.gz MMNCMIUAMHLINE-UKRRQHHQSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000452084335 560350200 /nfs/dbraw/zinc/35/02/00/560350200.db2.gz HZZQOGIHZILNRQ-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452115271 560352124 /nfs/dbraw/zinc/35/21/24/560352124.db2.gz BHJWPOWTLDCGNS-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839437 560375819 /nfs/dbraw/zinc/37/58/19/560375819.db2.gz GHCKTAGJKJWPMC-DOTOQJQBSA-N 1 0 361.442 2.269 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453099758 560383218 /nfs/dbraw/zinc/38/32/18/560383218.db2.gz YPJGLZDMJAXING-MRXNPFEDSA-N 1 0 353.444 2.041 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915706 560500009 /nfs/dbraw/zinc/50/00/09/560500009.db2.gz NLOGKJOBNBOGTB-UKRRQHHQSA-N 1 0 369.425 2.424 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994608 560503790 /nfs/dbraw/zinc/50/37/90/560503790.db2.gz IABQTNGCGCMOTR-BBRMVZONSA-N 1 0 355.398 2.207 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000457021752 560544243 /nfs/dbraw/zinc/54/42/43/560544243.db2.gz FYMRZUOJORDVTM-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000457386886 560564519 /nfs/dbraw/zinc/56/45/19/560564519.db2.gz UGIJUZNSIRSZRB-NVXWUHKLSA-N 1 0 358.373 2.394 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000459492095 560689567 /nfs/dbraw/zinc/68/95/67/560689567.db2.gz ZQLMLXCXVOBRJY-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459655426 560700585 /nfs/dbraw/zinc/70/05/85/560700585.db2.gz DEOTVGPDJFVPPO-HOCLYGCPSA-N 1 0 373.409 2.394 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459758252 560706403 /nfs/dbraw/zinc/70/64/03/560706403.db2.gz LLVLGTDWCXAWBI-HZPDHXFCSA-N 1 0 363.414 2.479 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000463741917 560822802 /nfs/dbraw/zinc/82/28/02/560822802.db2.gz QOIJOQJWUHIWGA-MCIONIFRSA-N 1 0 355.460 2.287 20 5 FEBDRO CN(CC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000467064809 560902729 /nfs/dbraw/zinc/90/27/29/560902729.db2.gz OHTLZGGSWKPKJS-UHFFFAOYSA-N 1 0 370.453 2.452 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716785 560915713 /nfs/dbraw/zinc/91/57/13/560915713.db2.gz VGJAFSZZJZWXEX-SJKOYZFVSA-N 1 0 369.425 2.208 20 5 FEBDRO CCOC(=O)c1cc(N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000467767823 560916841 /nfs/dbraw/zinc/91/68/41/560916841.db2.gz FXDINWQYNAVKPC-UHFFFAOYSA-N 1 0 365.430 2.319 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000467795988 560917547 /nfs/dbraw/zinc/91/75/47/560917547.db2.gz PBJMBAOYAILQKB-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000468642876 560934801 /nfs/dbraw/zinc/93/48/01/560934801.db2.gz VANAPOZJKSESQI-UVTDQMKNSA-N 1 0 367.471 2.307 20 5 FEBDRO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470117952 560974690 /nfs/dbraw/zinc/97/46/90/560974690.db2.gz RQCUYVJSFPZQPM-GFCCVEGCSA-N 1 0 368.409 2.290 20 5 FEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471525687 561006497 /nfs/dbraw/zinc/00/64/97/561006497.db2.gz AHRQZZGISBKWAH-SECBINFHSA-N 1 0 354.823 2.338 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000472559883 561029301 /nfs/dbraw/zinc/02/93/01/561029301.db2.gz HWEPMXTWSQBIKP-RYUDHWBXSA-N 1 0 366.393 2.052 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000472612994 561030968 /nfs/dbraw/zinc/03/09/68/561030968.db2.gz YUBSMKPDQSKUCR-SMDDNHRTSA-N 1 0 366.393 2.004 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000472633916 561031481 /nfs/dbraw/zinc/03/14/81/561031481.db2.gz UPNYVRWNBVMJIL-XNJJOIOASA-N 1 0 351.403 2.071 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000474006131 561063329 /nfs/dbraw/zinc/06/33/29/561063329.db2.gz FKHQGGKWVVYTTE-UHFFFAOYSA-N 1 0 363.370 2.084 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474296741 561070487 /nfs/dbraw/zinc/07/04/87/561070487.db2.gz JGQNUDODDZHQMH-UHFFFAOYSA-N 1 0 355.394 2.222 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000474351750 561071890 /nfs/dbraw/zinc/07/18/90/561071890.db2.gz RNMNGZDWQMRZOC-UHFFFAOYSA-N 1 0 351.384 2.201 20 5 FEBDRO COC(=O)COc1ccc(CN[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000474365402 561072331 /nfs/dbraw/zinc/07/23/31/561072331.db2.gz AQBLBOOFYSKJPX-LSDHHAIUSA-N 1 0 365.430 2.109 20 5 FEBDRO COC(=O)c1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000474793027 561082981 /nfs/dbraw/zinc/08/29/81/561082981.db2.gz YQXAXVRFWGCOKW-OAHLLOKOSA-N 1 0 365.430 2.459 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000475115071 561090969 /nfs/dbraw/zinc/09/09/69/561090969.db2.gz BBPVZOUKFAZIGP-GUTXKFCHSA-N 1 0 366.414 2.128 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475713850 561103039 /nfs/dbraw/zinc/10/30/39/561103039.db2.gz FSEJUDVGHHDGIH-ZIAGYGMSSA-N 1 0 365.430 2.061 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476668243 561125702 /nfs/dbraw/zinc/12/57/02/561125702.db2.gz KQXTWEJZVCXHHQ-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000530463733 562412339 /nfs/dbraw/zinc/41/23/39/562412339.db2.gz HTXXXYUELVYIPS-KRWDZBQOSA-N 1 0 360.458 2.102 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000530897985 562427723 /nfs/dbraw/zinc/42/77/23/562427723.db2.gz USRCZKPFBMHTCZ-UHFFFAOYSA-N 1 0 358.354 2.075 20 5 FEBDRO CNc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531252426 562439749 /nfs/dbraw/zinc/43/97/49/562439749.db2.gz BQBOKEKVQZLBAZ-OKILXGFUSA-N 1 0 364.446 2.256 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000532215431 562470607 /nfs/dbraw/zinc/47/06/07/562470607.db2.gz NDFZSDVERIGMMD-CQSZACIVSA-N 1 0 364.446 2.012 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533365300 562506661 /nfs/dbraw/zinc/50/66/61/562506661.db2.gz OGHQVCLOQGCVCY-KRWDZBQOSA-N 1 0 373.457 2.045 20 5 FEBDRO COc1ccc(CC(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901242 562596106 /nfs/dbraw/zinc/59/61/06/562596106.db2.gz XJZYKCOOWPONSJ-DLBZAZTESA-N 1 0 369.421 2.360 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000541649620 562617144 /nfs/dbraw/zinc/61/71/44/562617144.db2.gz MJAQCWYOTLHRKR-STQMWFEESA-N 1 0 351.403 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000541819136 562620442 /nfs/dbraw/zinc/62/04/42/562620442.db2.gz MHKXRLLMMRGVQZ-ZDUSSCGKSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000541817864 562620472 /nfs/dbraw/zinc/62/04/72/562620472.db2.gz ZAGFNRKATOQCDW-LLVKDONJSA-N 1 0 359.423 2.085 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000545457383 562627520 /nfs/dbraw/zinc/62/75/20/562627520.db2.gz DEMGJGZVSXTEIR-DAXOMENPSA-N 1 0 351.403 2.096 20 5 FEBDRO Cc1ccc(SC[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000568976689 568259997 /nfs/dbraw/zinc/25/99/97/568259997.db2.gz CLIUJKYOLMZEQC-ZFWWWQNUSA-N 1 0 350.444 2.231 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000569340479 568395367 /nfs/dbraw/zinc/39/53/67/568395367.db2.gz NBWVKUVQWBMSCE-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000569340481 568395382 /nfs/dbraw/zinc/39/53/82/568395382.db2.gz NBWVKUVQWBMSCE-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000569920780 568436614 /nfs/dbraw/zinc/43/66/14/568436614.db2.gz MDHXDFMMRQOGEQ-FHLIZLRMSA-N 1 0 350.415 2.129 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ccc(F)cc2)cc1 ZINC000570479451 568475401 /nfs/dbraw/zinc/47/54/01/568475401.db2.gz IZADVNQXTUWAPL-UHFFFAOYSA-N 1 0 368.386 2.176 20 5 FEBDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000558227336 674488808 /nfs/dbraw/zinc/48/88/08/674488808.db2.gz KIGLQNZJCZIPTQ-CABCVRRESA-N 1 0 355.460 2.287 20 5 FEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817124 674512044 /nfs/dbraw/zinc/51/20/44/674512044.db2.gz SNTGOBBBYZAABX-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO CC[N@H+](CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000821213247 606216679 /nfs/dbraw/zinc/21/66/79/606216679.db2.gz ATNLMJSEEKOVEM-UHFFFAOYSA-N 1 0 368.401 2.219 20 5 FEBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602687 606402903 /nfs/dbraw/zinc/40/29/03/606402903.db2.gz OIFBYSOKRGYWSX-UHFFFAOYSA-N 1 0 371.376 2.458 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000821581359 606644903 /nfs/dbraw/zinc/64/49/03/606644903.db2.gz JIBZIATUWXIUKO-OAHLLOKOSA-N 1 0 367.413 2.360 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820650231 607168611 /nfs/dbraw/zinc/16/86/11/607168611.db2.gz SCQLVLFKBPFRCW-BETUJISGSA-N 1 0 374.449 2.340 20 5 FEBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000825860581 608305861 /nfs/dbraw/zinc/30/58/61/608305861.db2.gz SDESRPPKVGBAKI-UHFFFAOYSA-N 1 0 359.434 2.333 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824563702 608468695 /nfs/dbraw/zinc/46/86/95/608468695.db2.gz POQWQFHSIXCDBO-NSHDSACASA-N 1 0 367.369 2.064 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283497 608554158 /nfs/dbraw/zinc/55/41/58/608554158.db2.gz SJGMMOBDJOMSPU-PXAZEXFGSA-N 1 0 368.397 2.468 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812237 674630074 /nfs/dbraw/zinc/63/00/74/674630074.db2.gz PAXSTDTUCXAJPC-JOYOIKCWSA-N 1 0 350.375 2.341 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000561617284 674684289 /nfs/dbraw/zinc/68/42/89/674684289.db2.gz XLKGIRYAIAVMIK-GFCCVEGCSA-N 1 0 370.247 2.452 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000562522165 674765013 /nfs/dbraw/zinc/76/50/13/674765013.db2.gz KVYHKBXKQMAYJG-GFCCVEGCSA-N 1 0 359.329 2.075 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000563162846 674848856 /nfs/dbraw/zinc/84/88/56/674848856.db2.gz NWROVPZCYJOWMK-NSHDSACASA-N 1 0 353.806 2.076 20 5 FEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000814986518 674892436 /nfs/dbraw/zinc/89/24/36/674892436.db2.gz QQRCADZVQFQQRQ-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000564328011 674996287 /nfs/dbraw/zinc/99/62/87/674996287.db2.gz IHGSRVUSTUVGBF-GFCCVEGCSA-N 1 0 368.365 2.445 20 5 FEBDRO COc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000564469212 675024074 /nfs/dbraw/zinc/02/40/74/675024074.db2.gz BTFRVVSTZMWFGP-ZDUSSCGKSA-N 1 0 353.394 2.434 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816971979 675091697 /nfs/dbraw/zinc/09/16/97/675091697.db2.gz XJWACQLTRYTHHG-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000070894715 670492978 /nfs/dbraw/zinc/49/29/78/670492978.db2.gz CXPXMJKSGYLBMH-CYBMUJFWSA-N 1 0 355.822 2.335 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1Cl)C2=O ZINC000571082431 670813577 /nfs/dbraw/zinc/81/35/77/670813577.db2.gz PDRRRNMUWMPTCK-MEDUHNTESA-N 1 0 366.805 2.188 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571641967 670905285 /nfs/dbraw/zinc/90/52/85/670905285.db2.gz XBUXXHXWLPLGQT-GJZGRUSLSA-N 1 0 367.471 2.167 20 5 FEBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572028885 670953099 /nfs/dbraw/zinc/95/30/99/670953099.db2.gz JVULGYXVYGCJAR-RHSMWYFYSA-N 1 0 370.471 2.409 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000572905029 671058018 /nfs/dbraw/zinc/05/80/18/671058018.db2.gz CIXFKBXRUYCQGA-UHFFFAOYSA-N 1 0 368.455 2.450 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000573137494 671087466 /nfs/dbraw/zinc/08/74/66/671087466.db2.gz OYYKEVKMGQGZLK-MRXNPFEDSA-N 1 0 365.455 2.128 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000574323215 671226902 /nfs/dbraw/zinc/22/69/02/671226902.db2.gz ZJQLWKKQLDNEIU-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000566117418 675182880 /nfs/dbraw/zinc/18/28/80/675182880.db2.gz RPDGTYKPULFOKH-AWEZNQCLSA-N 1 0 364.423 2.426 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000817960240 675188115 /nfs/dbraw/zinc/18/81/15/675188115.db2.gz KWPIBZKGLQACHL-AWEZNQCLSA-N 1 0 363.805 2.299 20 5 FEBDRO C[NH+](C)C[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000575450131 671313756 /nfs/dbraw/zinc/31/37/56/671313756.db2.gz QMRLZVBFVYCFTN-NSHDSACASA-N 1 0 351.794 2.047 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000576540453 671376006 /nfs/dbraw/zinc/37/60/06/671376006.db2.gz BBWUCIFMBJDDFT-GXTWGEPZSA-N 1 0 352.391 2.118 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000577172403 671421820 /nfs/dbraw/zinc/42/18/20/671421820.db2.gz SQQCSGZBBCFEKW-IUODEOHRSA-N 1 0 366.805 2.309 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000577486049 671599205 /nfs/dbraw/zinc/59/92/05/671599205.db2.gz WRMBHQONBUDMBT-LLVKDONJSA-N 1 0 355.441 2.218 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000609352739 675919840 /nfs/dbraw/zinc/91/98/40/675919840.db2.gz AYWRATXLOZWNSU-ZDUSSCGKSA-N 1 0 373.862 2.497 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609448672 675922725 /nfs/dbraw/zinc/92/27/25/675922725.db2.gz WWPQBMXWZUPEAM-UHFFFAOYSA-N 1 0 351.378 2.109 20 5 FEBDRO CS(=O)(=O)Nc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000609466645 675922965 /nfs/dbraw/zinc/92/29/65/675922965.db2.gz YHCCFOBKJYINRO-UHFFFAOYSA-N 1 0 365.411 2.135 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000579106212 671712689 /nfs/dbraw/zinc/71/26/89/671712689.db2.gz PGYNSDXJBRUEKG-KBPBESRZSA-N 1 0 355.460 2.308 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOCC2CCCC2)cc1 ZINC000579828227 671763686 /nfs/dbraw/zinc/76/36/86/671763686.db2.gz KRBGQJHJKDKUTH-UHFFFAOYSA-N 1 0 356.444 2.165 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000579946031 671772157 /nfs/dbraw/zinc/77/21/57/671772157.db2.gz MERNYOQMHGYHOS-AAEUAGOBSA-N 1 0 351.403 2.249 20 5 FEBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000580090008 671782642 /nfs/dbraw/zinc/78/26/42/671782642.db2.gz HXDPFHDFDVWSRU-RYUDHWBXSA-N 1 0 372.219 2.045 20 5 FEBDRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000580209945 671790543 /nfs/dbraw/zinc/79/05/43/671790543.db2.gz SEAKJKSHVPUGET-HZPDHXFCSA-N 1 0 366.487 2.209 20 5 FEBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000580555389 671817886 /nfs/dbraw/zinc/81/78/86/671817886.db2.gz PCJHVALKKSNZDD-SJORKVTESA-N 1 0 368.455 2.163 20 5 FEBDRO C[C@@]1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000580555388 671817899 /nfs/dbraw/zinc/81/78/99/671817899.db2.gz PCJHVALKKSNZDD-IRXDYDNUSA-N 1 0 368.455 2.163 20 5 FEBDRO CC[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Cl)c1 ZINC000580769569 671831312 /nfs/dbraw/zinc/83/13/12/671831312.db2.gz VYUGTVJVAUZWPF-HUUCEWRRSA-N 1 0 368.821 2.253 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000580773902 671831920 /nfs/dbraw/zinc/83/19/20/671831920.db2.gz MQOWHVGHXBULHA-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133816 675955958 /nfs/dbraw/zinc/95/59/58/675955958.db2.gz IJFRZMMUTRRQSZ-BHYGNILZSA-N 1 0 352.431 2.470 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000610135255 675956272 /nfs/dbraw/zinc/95/62/72/675956272.db2.gz NXGHOGJUBHNIIG-CHWSQXEVSA-N 1 0 371.459 2.097 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000610195567 675958786 /nfs/dbraw/zinc/95/87/86/675958786.db2.gz OLVBTKUBDWUTJV-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000581943206 671952377 /nfs/dbraw/zinc/95/23/77/671952377.db2.gz UNVUPWPNSLRILL-MRVPVSSYSA-N 1 0 368.242 2.261 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C1CC1 ZINC000123889186 671987343 /nfs/dbraw/zinc/98/73/43/671987343.db2.gz YEXCDOUGZFIEHQ-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610577003 675982586 /nfs/dbraw/zinc/98/25/86/675982586.db2.gz STMQAPGZKPJGIK-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(F)cc1F ZINC000583989499 672145293 /nfs/dbraw/zinc/14/52/93/672145293.db2.gz GEJCQCZMWMEAEY-CQSZACIVSA-N 1 0 352.337 2.445 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000152667339 672185698 /nfs/dbraw/zinc/18/56/98/672185698.db2.gz SVHQGAYMQJRYIY-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174837381 672363971 /nfs/dbraw/zinc/36/39/71/672363971.db2.gz QANRXFYPUWZFND-OAHLLOKOSA-N 1 0 351.451 2.200 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000176058705 672372582 /nfs/dbraw/zinc/37/25/82/672372582.db2.gz RIPUOWZRVWJMLD-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178926770 672396906 /nfs/dbraw/zinc/39/69/06/672396906.db2.gz CZVIIOCUTALYSM-JTQLQIEISA-N 1 0 361.851 2.305 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000590165342 672563002 /nfs/dbraw/zinc/56/30/02/672563002.db2.gz GPBRCHMGSRXMIG-OAHLLOKOSA-N 1 0 373.862 2.355 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000590749414 672609806 /nfs/dbraw/zinc/60/98/06/672609806.db2.gz FJPQDYVNKMVTPE-LESCRADOSA-N 1 0 350.415 2.226 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1OC ZINC000591676184 672700524 /nfs/dbraw/zinc/70/05/24/672700524.db2.gz DVMXAQUZXPCNAA-FZMZJTMJSA-N 1 0 351.403 2.202 20 5 FEBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591765010 672708847 /nfs/dbraw/zinc/70/88/47/672708847.db2.gz YBKKPAOWAVFESB-DOTOQJQBSA-N 1 0 351.447 2.045 20 5 FEBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591765011 672709042 /nfs/dbraw/zinc/70/90/42/672709042.db2.gz YBKKPAOWAVFESB-NVXWUHKLSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189369 672769500 /nfs/dbraw/zinc/76/95/00/672769500.db2.gz SWYHWLRHSINTRA-HOCLYGCPSA-N 1 0 350.415 2.368 20 5 FEBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196681 672770135 /nfs/dbraw/zinc/77/01/35/672770135.db2.gz XBFJGHXBYMHLNV-GJZGRUSLSA-N 1 0 350.415 2.368 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356612 672791364 /nfs/dbraw/zinc/79/13/64/672791364.db2.gz ANFSNRSZWGVOGR-VHSXEESVSA-N 1 0 363.399 2.441 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592391153 672796674 /nfs/dbraw/zinc/79/66/74/672796674.db2.gz XORBIYHBVZHUDR-LSDHHAIUSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592390433 672796696 /nfs/dbraw/zinc/79/66/96/672796696.db2.gz JOGJYOYFAFKANW-HZPDHXFCSA-N 1 0 367.471 2.136 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592390432 672796734 /nfs/dbraw/zinc/79/67/34/672796734.db2.gz JOGJYOYFAFKANW-HOTGVXAUSA-N 1 0 367.471 2.136 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000592462794 672806257 /nfs/dbraw/zinc/80/62/57/672806257.db2.gz JUHHSFHZONIOLP-UHFFFAOYSA-N 1 0 352.366 2.062 20 5 FEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000237815396 672812263 /nfs/dbraw/zinc/81/22/63/672812263.db2.gz SHLHRDYGAGDXGE-GFCCVEGCSA-N 1 0 361.851 2.434 20 5 FEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187990 672888050 /nfs/dbraw/zinc/88/80/50/672888050.db2.gz SMBCXZWSPBVEAX-IJLUTSLNSA-N 1 0 351.403 2.165 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000593601446 672955123 /nfs/dbraw/zinc/95/51/23/672955123.db2.gz ILZDFSLANARPNH-HZPDHXFCSA-N 1 0 367.446 2.315 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483276 676084046 /nfs/dbraw/zinc/08/40/46/676084046.db2.gz NQBZGAGUFPVZAS-STQMWFEESA-N 1 0 353.394 2.064 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593911582 673007252 /nfs/dbraw/zinc/00/72/52/673007252.db2.gz GYMYVGAPUJHMEJ-NORZTCDRSA-N 1 0 351.378 2.092 20 5 FEBDRO CCO[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593916114 673007765 /nfs/dbraw/zinc/00/77/65/673007765.db2.gz AZGSDTKUSKSTMT-NOZJJQNGSA-N 1 0 361.320 2.049 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959818 673181131 /nfs/dbraw/zinc/18/11/31/673181131.db2.gz GVASJHXAWWLPCP-FPJCUDJDSA-N 1 0 356.444 2.391 20 5 FEBDRO CC1(C)C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000595077989 673191174 /nfs/dbraw/zinc/19/11/74/673191174.db2.gz MOBGFMAUHJUUPV-FUHWJXTLSA-N 1 0 350.415 2.075 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)cc1[N+](=O)[O-] ZINC000595107088 673194120 /nfs/dbraw/zinc/19/41/20/673194120.db2.gz DZCISHAILULKOJ-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595115493 673195949 /nfs/dbraw/zinc/19/59/49/673195949.db2.gz GKMUFESLTYUKAA-CYBMUJFWSA-N 1 0 371.434 2.134 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC12CC(C1)C[NH2+]2 ZINC000595274439 673215743 /nfs/dbraw/zinc/21/57/43/673215743.db2.gz WCAQJWDAZNXFHJ-UHFFFAOYSA-N 1 0 358.320 2.165 20 5 FEBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411491 673246149 /nfs/dbraw/zinc/24/61/49/673246149.db2.gz REBXONGGSXISIZ-ZDUSSCGKSA-N 1 0 373.500 2.365 20 5 FEBDRO Nc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000595935616 673341780 /nfs/dbraw/zinc/34/17/80/673341780.db2.gz GVENPMCMFXJSGG-GFCCVEGCSA-N 1 0 350.394 2.168 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596075251 673356372 /nfs/dbraw/zinc/35/63/72/673356372.db2.gz GCOYRZNPOXWEJV-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1ccc(C[C@@](C)([NH3+])CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000596174375 673365115 /nfs/dbraw/zinc/36/51/15/673365115.db2.gz GXGDJVQNBXPEJD-MRXNPFEDSA-N 1 0 350.806 2.446 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000596189518 673366332 /nfs/dbraw/zinc/36/63/32/673366332.db2.gz JDSKLBGJXTVOBQ-AWEZNQCLSA-N 1 0 362.817 2.244 20 5 FEBDRO CCOC(=O)c1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000538095872 673421523 /nfs/dbraw/zinc/42/15/23/673421523.db2.gz GRYJJRSDBKPQJJ-CABCVRRESA-N 1 0 353.444 2.253 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000538116775 673422503 /nfs/dbraw/zinc/42/25/03/673422503.db2.gz MXUIZIQERGDMDC-ZIAGYGMSSA-N 1 0 353.444 2.041 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597926054 673518637 /nfs/dbraw/zinc/51/86/37/673518637.db2.gz TVFFVACOWAURNM-NSHDSACASA-N 1 0 351.403 2.215 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000541647491 673554613 /nfs/dbraw/zinc/55/46/13/673554613.db2.gz RSOGLPYGSSAAOK-CHWSQXEVSA-N 1 0 351.403 2.337 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000598540836 673580786 /nfs/dbraw/zinc/58/07/86/673580786.db2.gz QWWMNTIJAMLBFY-LBPRGKRZSA-N 1 0 355.822 2.431 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598606321 673589159 /nfs/dbraw/zinc/58/91/59/673589159.db2.gz ZZVQWOUEWRZZPN-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598667854 673596409 /nfs/dbraw/zinc/59/64/09/673596409.db2.gz NHGSPSYNYOKZIH-IINYFYTJSA-N 1 0 354.204 2.311 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598722100 673603494 /nfs/dbraw/zinc/60/34/94/673603494.db2.gz ZAVFKESTPWWHKV-QMTHXVAHSA-N 1 0 359.835 2.059 20 5 FEBDRO COc1ccc(F)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000598730476 673604027 /nfs/dbraw/zinc/60/40/27/673604027.db2.gz WBDVWNSRMXYCNK-ZDUSSCGKSA-N 1 0 350.346 2.272 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000542911404 673614896 /nfs/dbraw/zinc/61/48/96/673614896.db2.gz CUSNLAZVGJHULQ-OAHLLOKOSA-N 1 0 351.403 2.073 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599157073 673637213 /nfs/dbraw/zinc/63/72/13/673637213.db2.gz MQPRAPHDMDJIEA-VIFPVBQESA-N 1 0 354.204 2.324 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000599390011 673667991 /nfs/dbraw/zinc/66/79/91/673667991.db2.gz GEHFQVTUMDOHIJ-QGZVFWFLSA-N 1 0 367.471 2.421 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625766 673698869 /nfs/dbraw/zinc/69/88/69/673698869.db2.gz OKGHCQPSVXIONE-VZTWBHMWSA-N 1 0 351.403 2.332 20 5 FEBDRO CC(C)[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572780 673718360 /nfs/dbraw/zinc/71/83/60/673718360.db2.gz OJUGYTQXVQJGGL-CZUORRHYSA-N 1 0 356.444 2.162 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000544622906 673721658 /nfs/dbraw/zinc/72/16/58/673721658.db2.gz ZDPDQVQRUOUAON-ALCCZGGFSA-N 1 0 367.471 2.259 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000545465357 673771233 /nfs/dbraw/zinc/77/12/33/673771233.db2.gz RTRGPPJEVZPJII-UHFFFAOYSA-N 1 0 355.460 2.336 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000600761910 673797311 /nfs/dbraw/zinc/79/73/11/673797311.db2.gz TYXUBQPFBUZRQN-GDBMZVCRSA-N 1 0 350.806 2.473 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000600771770 673797966 /nfs/dbraw/zinc/79/79/66/673797966.db2.gz BAYVAOUTQWUOSB-NWDGAFQWSA-N 1 0 359.373 2.477 20 5 FEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000601321644 673842572 /nfs/dbraw/zinc/84/25/72/673842572.db2.gz QWAXOEJXEXZNEO-ZDUSSCGKSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601335249 673844165 /nfs/dbraw/zinc/84/41/65/673844165.db2.gz SBDCKVZRFFMGCK-ABAIWWIYSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356305 673847235 /nfs/dbraw/zinc/84/72/35/673847235.db2.gz MVOSGGMSPLDDSJ-VXGBXAGGSA-N 1 0 359.423 2.146 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000601501498 673871806 /nfs/dbraw/zinc/87/18/06/673871806.db2.gz AZJYWJLOEYTVSD-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000601503677 673872271 /nfs/dbraw/zinc/87/22/71/673872271.db2.gz MJNMXJLOQQHILQ-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000746559909 673884049 /nfs/dbraw/zinc/88/40/49/673884049.db2.gz YXENASHHVNMAHE-OAGGEKHMSA-N 1 0 364.471 2.475 20 5 FEBDRO CCC1([NH+](C)C)CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000601791265 673898038 /nfs/dbraw/zinc/89/80/38/673898038.db2.gz JCRPALBSPDZPHW-UHFFFAOYSA-N 1 0 351.451 2.131 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000601969464 673900510 /nfs/dbraw/zinc/90/05/10/673900510.db2.gz DPEMVXOZRSMJRV-CYBMUJFWSA-N 1 0 369.219 2.013 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602318181 673904369 /nfs/dbraw/zinc/90/43/69/673904369.db2.gz CGYHNRFRAMQIAO-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO C[S@@](=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602657085 673908932 /nfs/dbraw/zinc/90/89/32/673908932.db2.gz OJARFTDHBJHYLN-GOSISDBHSA-N 1 0 353.263 2.420 20 5 FEBDRO CCOC1CC(O)(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602638081 673909205 /nfs/dbraw/zinc/90/92/05/673909205.db2.gz RLDFLFGZTKAECH-UHFFFAOYSA-N 1 0 365.249 2.438 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000602811658 673911319 /nfs/dbraw/zinc/91/13/19/673911319.db2.gz MUXBBVLYDWQGDQ-CYBMUJFWSA-N 1 0 350.341 2.125 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000602846446 673911761 /nfs/dbraw/zinc/91/17/61/673911761.db2.gz OPTVDZMCGRLPIB-GXTWGEPZSA-N 1 0 352.435 2.399 20 5 FEBDRO C[C@](CO)([NH2+]CCOCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962903 673914718 /nfs/dbraw/zinc/91/47/18/673914718.db2.gz QEIULJOSWCDARJ-CYBMUJFWSA-N 1 0 354.300 2.309 20 5 FEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000603389238 673929004 /nfs/dbraw/zinc/92/90/04/673929004.db2.gz ASFYDVXPCCINON-NEPJUHHUSA-N 1 0 361.489 2.397 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000566242799 675197797 /nfs/dbraw/zinc/19/77/97/675197797.db2.gz JVBMEPVKHXBWMZ-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818613389 675228453 /nfs/dbraw/zinc/22/84/53/675228453.db2.gz NJKFUNQHNVVYEJ-FOGDFJRCSA-N 1 0 350.375 2.257 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819210311 675270220 /nfs/dbraw/zinc/27/02/20/675270220.db2.gz BZEMYYTVQXKNCU-QGZVFWFLSA-N 1 0 364.423 2.212 20 5 FEBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000820827217 675391643 /nfs/dbraw/zinc/39/16/43/675391643.db2.gz KUNDUZULDYFVAF-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000822517935 675490139 /nfs/dbraw/zinc/49/01/39/675490139.db2.gz DHWCWVOXAMWVGE-UHFFFAOYSA-N 1 0 368.821 2.422 20 5 FEBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179904 675534472 /nfs/dbraw/zinc/53/44/72/675534472.db2.gz ZYSGCDHJVDZJFC-INIZCTEOSA-N 1 0 352.410 2.335 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000825480876 675655281 /nfs/dbraw/zinc/65/52/81/675655281.db2.gz AGADFVSELGCZKP-NWDGAFQWSA-N 1 0 350.394 2.157 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000826632935 675696644 /nfs/dbraw/zinc/69/66/44/675696644.db2.gz MGPMCNXLUAOZCX-PHIMTYICSA-N 1 0 351.432 2.145 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000827953668 675788541 /nfs/dbraw/zinc/78/85/41/675788541.db2.gz QININHFQQHJZSS-UHFFFAOYSA-N 1 0 366.395 2.433 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959027 675855157 /nfs/dbraw/zinc/85/51/57/675855157.db2.gz KMGXDTXEXGQIGQ-QWRGUYRKSA-N 1 0 356.785 2.278 20 5 FEBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000829015748 675859144 /nfs/dbraw/zinc/85/91/44/675859144.db2.gz SEDKNLHKMJTJRX-PHIMTYICSA-N 1 0 358.236 2.249 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000829590606 675884318 /nfs/dbraw/zinc/88/43/18/675884318.db2.gz XTLFVAACVFKSSP-UHFFFAOYSA-N 1 0 368.821 2.373 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000619479186 676379573 /nfs/dbraw/zinc/37/95/73/676379573.db2.gz CKLOKSLSVGOPHK-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000619492813 676381062 /nfs/dbraw/zinc/38/10/62/676381062.db2.gz NFLSKHGCAZNWSC-UHFFFAOYSA-N 1 0 371.459 2.002 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2=O ZINC000830448799 677040177 /nfs/dbraw/zinc/04/01/77/677040177.db2.gz UBPZDYSVLLDGLI-BDJLRTHQSA-N 1 0 366.805 2.188 20 5 FEBDRO C[NH+]1CCC(CNC(=S)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000760467580 680688692 /nfs/dbraw/zinc/68/86/92/680688692.db2.gz HURHOTWJBVNFPC-UHFFFAOYSA-N 1 0 357.867 2.381 20 5 FEBDRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839619346 680767237 /nfs/dbraw/zinc/76/72/37/680767237.db2.gz UQCILOZGBSIPEO-UHFFFAOYSA-N 1 0 359.835 2.034 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000748323368 679952779 /nfs/dbraw/zinc/95/27/79/679952779.db2.gz JDEGIESJJKVZCG-UHFFFAOYSA-N 1 0 350.375 2.225 20 5 FEBDRO CCO[C@H](CNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)C[NH+](C)C ZINC000831731827 680033916 /nfs/dbraw/zinc/03/39/16/680033916.db2.gz VGOOREGWGLASQH-SNVBAGLBSA-N 1 0 363.336 2.310 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000832765382 680174273 /nfs/dbraw/zinc/17/42/73/680174273.db2.gz WURPCGXCRFNYOE-GFCCVEGCSA-N 1 0 359.423 2.146 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063864 680193332 /nfs/dbraw/zinc/19/33/32/680193332.db2.gz NERZCJDBVJKMOM-LSCVPOLPSA-N 1 0 358.225 2.395 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752252804 680232157 /nfs/dbraw/zinc/23/21/57/680232157.db2.gz HMDDUNUFDPNYPO-SNVBAGLBSA-N 1 0 361.851 2.177 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000834848947 680276793 /nfs/dbraw/zinc/27/67/93/680276793.db2.gz MJLOBPUCNYXVDK-HIFRSBDPSA-N 1 0 353.806 2.217 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000834893070 680280841 /nfs/dbraw/zinc/28/08/41/680280841.db2.gz YJDXQBUPAIZTHP-CYBMUJFWSA-N 1 0 356.444 2.148 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650478 680317519 /nfs/dbraw/zinc/31/75/19/680317519.db2.gz UOIFXADCQQTGBZ-QGMIFYJMSA-N 1 0 355.797 2.129 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000997772237 680365827 /nfs/dbraw/zinc/36/58/27/680365827.db2.gz MQVBSALCCPPCQO-HZPDHXFCSA-N 1 0 351.834 2.333 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643208 680436506 /nfs/dbraw/zinc/43/65/06/680436506.db2.gz KEVBRRYKMGCKLQ-BRXULGCHSA-N 1 0 353.369 2.147 20 5 FEBDRO O=C(NCC1=CC[N@H+](CCc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673638 680436988 /nfs/dbraw/zinc/43/69/88/680436988.db2.gz HYIKBVMLCBBCPA-IAGOWNOFSA-N 1 0 363.845 2.296 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000836666077 680496910 /nfs/dbraw/zinc/49/69/10/680496910.db2.gz BPQLPBUUBUQFCW-UHFFFAOYSA-N 1 0 368.865 2.266 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841188881 680868219 /nfs/dbraw/zinc/86/82/19/680868219.db2.gz AWKFQNZCFLPARK-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000842483584 680950228 /nfs/dbraw/zinc/95/02/28/680950228.db2.gz ONOIDIXWMFOFTQ-QMTHXVAHSA-N 1 0 361.851 2.162 20 5 FEBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842738102 680963290 /nfs/dbraw/zinc/96/32/90/680963290.db2.gz VQNVDTVAHBXRRP-UHFFFAOYSA-N 1 0 364.427 2.033 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000843091622 680987023 /nfs/dbraw/zinc/98/70/23/680987023.db2.gz FOCCXWUFQAEUJP-DOTOQJQBSA-N 1 0 366.801 2.311 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000843091623 680987098 /nfs/dbraw/zinc/98/70/98/680987098.db2.gz FOCCXWUFQAEUJP-NVXWUHKLSA-N 1 0 366.801 2.311 20 5 FEBDRO Cc1cc(F)cc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000843484743 681006340 /nfs/dbraw/zinc/00/63/40/681006340.db2.gz MMSZQEOLSBJYKN-ZBFHGGJFSA-N 1 0 351.378 2.011 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000771203594 681046735 /nfs/dbraw/zinc/04/67/35/681046735.db2.gz HNJJGEGSRBPQDC-GFCCVEGCSA-N 1 0 352.410 2.323 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844372809 681054850 /nfs/dbraw/zinc/05/48/50/681054850.db2.gz FOYRXPFOCKTYSU-INIZCTEOSA-N 1 0 350.806 2.428 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846205651 681200566 /nfs/dbraw/zinc/20/05/66/681200566.db2.gz IXXAPIOMHFQKEH-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000846225173 681204107 /nfs/dbraw/zinc/20/41/07/681204107.db2.gz JDZQHTCLFKPBKV-ZBEGNZNMSA-N 1 0 352.822 2.248 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000846688523 681275592 /nfs/dbraw/zinc/27/55/92/681275592.db2.gz URQHUOSLSNVSRE-UHFFFAOYSA-N 1 0 373.812 2.157 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933241564 681379262 /nfs/dbraw/zinc/37/92/62/681379262.db2.gz AFFNZRPJPYFWBM-CYBMUJFWSA-N 1 0 358.320 2.442 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000776591552 681412602 /nfs/dbraw/zinc/41/26/02/681412602.db2.gz JSHCUWZMYXCTAB-ZWKOTPCHSA-N 1 0 350.415 2.288 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000776600701 681414041 /nfs/dbraw/zinc/41/40/41/681414041.db2.gz FGMFXINDDVUJPU-RDTXWAMCSA-N 1 0 350.415 2.146 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848583421 681583561 /nfs/dbraw/zinc/58/35/61/681583561.db2.gz YYHIVJXGYICVCI-GFCCVEGCSA-N 1 0 357.357 2.413 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000935112878 681690747 /nfs/dbraw/zinc/69/07/47/681690747.db2.gz JJIZXPZCIIRSNF-TZMCWYRMSA-N 1 0 355.485 2.434 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000779872326 681762977 /nfs/dbraw/zinc/76/29/77/681762977.db2.gz AUGIMJHGODDDGE-NEPJUHHUSA-N 1 0 373.862 2.462 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000935867538 681840351 /nfs/dbraw/zinc/84/03/51/681840351.db2.gz CEJPCTOHXIXIND-CQSZACIVSA-N 1 0 365.821 2.172 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000780716907 681864979 /nfs/dbraw/zinc/86/49/79/681864979.db2.gz UBSMIHPBZBWBQR-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914325501 685504001 /nfs/dbraw/zinc/50/40/01/685504001.db2.gz LSRBVQFOKJJBTN-JKSUJKDBSA-N 1 0 364.471 2.016 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783310185 682134319 /nfs/dbraw/zinc/13/43/19/682134319.db2.gz CVEGRUBIUJWVAT-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000784820582 682254468 /nfs/dbraw/zinc/25/44/68/682254468.db2.gz BARLOXBHVSSGTP-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1F ZINC000852919529 682357262 /nfs/dbraw/zinc/35/72/62/682357262.db2.gz ZHMPCGILXQTVOJ-RKDXNWHRSA-N 1 0 364.146 2.008 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859115419 683040762 /nfs/dbraw/zinc/04/07/62/683040762.db2.gz ZOTFJGVTWZIYLA-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CCC1 ZINC000795974119 683113775 /nfs/dbraw/zinc/11/37/75/683113775.db2.gz BLRSSWLQJQNEKN-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)CC1 ZINC000798405768 683343919 /nfs/dbraw/zinc/34/39/19/683343919.db2.gz CMOZQFCRGQCDRR-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093147 683382842 /nfs/dbraw/zinc/38/28/42/683382842.db2.gz LHLGNXMNNHDKFN-WFASDCNBSA-N 1 0 360.439 2.386 20 5 FEBDRO COc1cc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c([N+](=O)[O-])cc1OC ZINC000922611969 683753847 /nfs/dbraw/zinc/75/38/47/683753847.db2.gz RJUDWRHMKNEMOD-KRWDZBQOSA-N 1 0 354.403 2.286 20 5 FEBDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864525447 683864416 /nfs/dbraw/zinc/86/44/16/683864416.db2.gz AFGYVWAXZXBJCV-UHFFFAOYSA-N 1 0 358.236 2.356 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865124732 683938991 /nfs/dbraw/zinc/93/89/91/683938991.db2.gz DSFMXYQARRDPKC-LBPRGKRZSA-N 1 0 370.247 2.452 20 5 FEBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183357 683946980 /nfs/dbraw/zinc/94/69/80/683946980.db2.gz DBGXWMQYNFQIQU-LLVKDONJSA-N 1 0 356.220 2.110 20 5 FEBDRO CS[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1[NH+]1CCCC1 ZINC000865685982 684014385 /nfs/dbraw/zinc/01/43/85/684014385.db2.gz ZYDIPFISIXODEL-HZPDHXFCSA-N 1 0 355.435 2.242 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000865924704 684046519 /nfs/dbraw/zinc/04/65/19/684046519.db2.gz VBUBQLCBONTNGB-CQSZACIVSA-N 1 0 358.236 2.250 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866205568 684082877 /nfs/dbraw/zinc/08/28/77/684082877.db2.gz MTCQGMDWLXZYJF-XHDPSFHLSA-N 1 0 351.378 2.441 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866342370 684093171 /nfs/dbraw/zinc/09/31/71/684093171.db2.gz FQIKLMLIDUJLLX-YLQAJVPDSA-N 1 0 356.394 2.075 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866342364 684093182 /nfs/dbraw/zinc/09/31/82/684093182.db2.gz FQIKLMLIDUJLLX-ISTRZQFTSA-N 1 0 356.394 2.075 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866892020 684175541 /nfs/dbraw/zinc/17/55/41/684175541.db2.gz AMHMNAXZPYHIHI-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1F ZINC000867373762 684262549 /nfs/dbraw/zinc/26/25/49/684262549.db2.gz RIHVDMMZOKLLPI-GFCCVEGCSA-N 1 0 359.423 2.146 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000868391751 684489745 /nfs/dbraw/zinc/48/97/45/684489745.db2.gz NPQBSEUFYIRBQY-ABAIWWIYSA-N 1 0 352.822 2.484 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869785649 684655740 /nfs/dbraw/zinc/65/57/40/684655740.db2.gz YSULDHAXBAGDOP-OLZOCXBDSA-N 1 0 367.471 2.037 20 5 FEBDRO CCC1([NH+](C)C)CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000870572328 684730840 /nfs/dbraw/zinc/73/08/40/684730840.db2.gz KHLDLCMOAKPBIV-UHFFFAOYSA-N 1 0 353.394 2.446 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@H](C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000872273201 684933784 /nfs/dbraw/zinc/93/37/84/684933784.db2.gz VFQPUODTPWLTEM-ZDUSSCGKSA-N 1 0 361.320 2.419 20 5 FEBDRO O=C1N(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720210 685008393 /nfs/dbraw/zinc/00/83/93/685008393.db2.gz JSYIGMYEOMDFCW-UONOGXRCSA-N 1 0 362.455 2.479 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000873178427 685089170 /nfs/dbraw/zinc/08/91/70/685089170.db2.gz SAKTYRATNADEEJ-OTCDBFHCSA-N 1 0 362.167 2.060 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828156 685676698 /nfs/dbraw/zinc/67/66/98/685676698.db2.gz FVTVRFIRSPSMCL-RYUDHWBXSA-N 1 0 369.219 2.061 20 5 FEBDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876654264 686237465 /nfs/dbraw/zinc/23/74/65/686237465.db2.gz ARLFRRCLBVBFKM-AWEZNQCLSA-N 1 0 351.451 2.237 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(N4CCSCC4)CCCC3)C2)c1 ZINC000876928431 686296487 /nfs/dbraw/zinc/29/64/87/686296487.db2.gz DONOZTFRGSZKET-UHFFFAOYSA-N 1 0 365.503 2.446 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877280835 686347731 /nfs/dbraw/zinc/34/77/31/686347731.db2.gz JGHWFWVZALTLLV-KBPBESRZSA-N 1 0 365.455 2.190 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1SC ZINC000877375953 686368484 /nfs/dbraw/zinc/36/84/84/686368484.db2.gz JUVAUCJUWXHQCO-MGPLVRAMSA-N 1 0 351.428 2.007 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000878866794 686678030 /nfs/dbraw/zinc/67/80/30/686678030.db2.gz XIYVHBDPFURZFZ-HNNXBMFYSA-N 1 0 372.263 2.246 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879699276 686889882 /nfs/dbraw/zinc/88/98/82/686889882.db2.gz AELCOXDZIIOTMM-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458334 687051026 /nfs/dbraw/zinc/05/10/26/687051026.db2.gz PTDZNEMDIIHEIZ-HNNXBMFYSA-N 1 0 350.415 2.370 20 5 FEBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881967202 687272979 /nfs/dbraw/zinc/27/29/79/687272979.db2.gz BYKNQWQOWWWQLR-SNVBAGLBSA-N 1 0 361.215 2.154 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000882768359 687480111 /nfs/dbraw/zinc/48/01/11/687480111.db2.gz ALFJEUCNEHHWPT-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000885455186 688077122 /nfs/dbraw/zinc/07/71/22/688077122.db2.gz HRUVVLJUIHEQFM-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000888288072 688578377 /nfs/dbraw/zinc/57/83/77/688578377.db2.gz AUJQJCUYRQLDQU-LBPRGKRZSA-N 1 0 369.853 2.314 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000890887918 688980011 /nfs/dbraw/zinc/98/00/11/688980011.db2.gz SGYGZNDJIFSXCX-UHFFFAOYSA-N 1 0 351.403 2.041 20 5 FEBDRO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246118 689683151 /nfs/dbraw/zinc/68/31/51/689683151.db2.gz LMTYKZVICHFYTN-YGRLFVJLSA-N 1 0 357.252 2.404 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557901 689894849 /nfs/dbraw/zinc/89/48/49/689894849.db2.gz LQNQNNBRYAFYGF-JQWIXIFHSA-N 1 0 359.373 2.430 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCCN3CCO)c(Br)c1 ZINC000897221090 689990189 /nfs/dbraw/zinc/99/01/89/689990189.db2.gz HCFNEWKXLZMYGX-GJZGRUSLSA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOC1CCSCC1)OCCO2 ZINC000898443040 690185203 /nfs/dbraw/zinc/18/52/03/690185203.db2.gz YOBRXGWGHWQCET-UHFFFAOYSA-N 1 0 354.428 2.368 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900606307 690537856 /nfs/dbraw/zinc/53/78/56/690537856.db2.gz RWDUGICMIRAZOC-NSHDSACASA-N 1 0 359.785 2.228 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000901228644 690627648 /nfs/dbraw/zinc/62/76/48/690627648.db2.gz NROKJRQQUIRGCZ-UHFFFAOYSA-N 1 0 373.812 2.306 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1nnnn1C ZINC000903348372 690883895 /nfs/dbraw/zinc/88/38/95/690883895.db2.gz AWKKWPZIXSXLHZ-GFCCVEGCSA-N 1 0 350.448 2.211 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903596359 690935563 /nfs/dbraw/zinc/93/55/63/690935563.db2.gz QJDLLVZLPUAOMC-AWEZNQCLSA-N 1 0 359.835 2.073 20 5 FEBDRO COc1cc(CN[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000903963612 690989679 /nfs/dbraw/zinc/98/96/79/690989679.db2.gz CCENMQAMIHMYEJ-MWLCHTKSSA-N 1 0 363.336 2.242 20 5 FEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000905355694 691107563 /nfs/dbraw/zinc/10/75/63/691107563.db2.gz BKFMMKWFHWWJLF-OAHLLOKOSA-N 1 0 371.434 2.133 20 5 FEBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)O2 ZINC000905488800 691124937 /nfs/dbraw/zinc/12/49/37/691124937.db2.gz XNSYZXIZDMYWEY-KQIDPQQZSA-N 1 0 350.415 2.190 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906620219 691293063 /nfs/dbraw/zinc/29/30/63/691293063.db2.gz YXDSJZFPFZFAAC-ZDUSSCGKSA-N 1 0 355.822 2.018 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000907519625 691508274 /nfs/dbraw/zinc/50/82/74/691508274.db2.gz QRTWBIGFMCIOSB-CHWSQXEVSA-N 1 0 369.849 2.094 20 5 FEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908287525 691652440 /nfs/dbraw/zinc/65/24/40/691652440.db2.gz LJDCXPOLQYLDPO-GFCCVEGCSA-N 1 0 351.403 2.215 20 5 FEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001164733285 720506219 /nfs/dbraw/zinc/50/62/19/720506219.db2.gz ZZIIDJHYEGQDGL-LLVKDONJSA-N 1 0 350.810 2.038 20 5 FEBDRO CC(C)[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[NH+]1CCN(C)CC1 ZINC000516116503 816637690 /nfs/dbraw/zinc/63/76/90/816637690.db2.gz LARAURPEDPANCV-INIZCTEOSA-N 1 0 358.446 2.222 20 5 FEBDRO O=C(OCCC[NH+]1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000800118522 674020633 /nfs/dbraw/zinc/02/06/33/674020633.db2.gz XQZXDHBBMICGKX-UHFFFAOYSA-N 1 0 350.371 2.399 20 5 FEBDRO CCOc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000008122654 539477762 /nfs/dbraw/zinc/47/77/62/539477762.db2.gz LTLPSVQXLOTOSR-UHFFFAOYSA-N 1 0 356.382 2.351 20 5 FEBDRO C[NH+](C)Cc1ccccc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024812416 539741621 /nfs/dbraw/zinc/74/16/21/539741621.db2.gz ANPBAWZUDXNXIO-UHFFFAOYSA-N 1 0 370.409 2.415 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccc2O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026218610 539780169 /nfs/dbraw/zinc/78/01/69/539780169.db2.gz WIJBOEMHEYDJKU-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000027582305 539811296 /nfs/dbraw/zinc/81/12/96/539811296.db2.gz AOVZRBIKOKUEIB-INIZCTEOSA-N 1 0 357.410 2.263 20 5 FEBDRO CCC(CC)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000029873776 539867049 /nfs/dbraw/zinc/86/70/49/539867049.db2.gz KOSBUMFVQQSFGI-OAHLLOKOSA-N 1 0 358.464 2.021 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000044529599 540129572 /nfs/dbraw/zinc/12/95/72/540129572.db2.gz KELMJPFQAVZKGB-UHFFFAOYSA-N 1 0 367.471 2.439 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@@H](C)O1 ZINC000046063994 540240921 /nfs/dbraw/zinc/24/09/21/540240921.db2.gz ZYJJEBXKMYQLGY-HUUCEWRRSA-N 1 0 361.442 2.443 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046980741 540281929 /nfs/dbraw/zinc/28/19/29/540281929.db2.gz OUOIPMZDDZZYLU-OAHLLOKOSA-N 1 0 371.441 2.340 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000048847830 540375022 /nfs/dbraw/zinc/37/50/22/540375022.db2.gz QJAINFQZFRSHFR-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000048847734 540375031 /nfs/dbraw/zinc/37/50/31/540375031.db2.gz LZDIDHPMPSNPNP-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000049131702 540381882 /nfs/dbraw/zinc/38/18/82/540381882.db2.gz WSXVJMXPNLYNLT-CYBMUJFWSA-N 1 0 362.430 2.222 20 5 FEBDRO CN1CCC([NH+]2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000050954511 540416556 /nfs/dbraw/zinc/41/65/56/540416556.db2.gz LBNFKFJQYYPZIH-UHFFFAOYSA-N 1 0 364.475 2.275 20 5 FEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051043414 540420303 /nfs/dbraw/zinc/42/03/03/540420303.db2.gz AKYHPVRRLPRJPA-CQSZACIVSA-N 1 0 362.430 2.162 20 5 FEBDRO CC1CC[NH+](CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000052281750 540461023 /nfs/dbraw/zinc/46/10/23/540461023.db2.gz BFEKATUZBPIMLX-UHFFFAOYSA-N 1 0 370.475 2.166 20 5 FEBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000052281751 540461352 /nfs/dbraw/zinc/46/13/52/540461352.db2.gz LHVRRRBEEIJXCX-UHFFFAOYSA-N 1 0 370.475 2.166 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000053187722 540516525 /nfs/dbraw/zinc/51/65/25/540516525.db2.gz UWORACMZYWXLAQ-HNNXBMFYSA-N 1 0 371.441 2.482 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000055298020 540644756 /nfs/dbraw/zinc/64/47/56/540644756.db2.gz DTISONFQRSTJHR-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CCCC1 ZINC000056528027 540732240 /nfs/dbraw/zinc/73/22/40/540732240.db2.gz AVIFWRDVAGLLKA-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000058299250 540838488 /nfs/dbraw/zinc/83/84/88/540838488.db2.gz HLXYHVPFYFBCHK-GJZGRUSLSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000058561884 540848845 /nfs/dbraw/zinc/84/88/45/540848845.db2.gz JBXSCMSAWXYACO-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000058923283 540859705 /nfs/dbraw/zinc/85/97/05/540859705.db2.gz XBKBWMATJZUAST-JTQLQIEISA-N 1 0 373.356 2.276 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000062120300 541144506 /nfs/dbraw/zinc/14/45/06/541144506.db2.gz YWKRYRKUADGDIC-KGLIPLIRSA-N 1 0 362.430 2.221 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061648579 541136545 /nfs/dbraw/zinc/13/65/45/541136545.db2.gz XJKYDSPEZIDKIR-UHFFFAOYSA-N 1 0 353.444 2.231 20 5 FEBDRO Cc1c(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000061648583 541136573 /nfs/dbraw/zinc/13/65/73/541136573.db2.gz JWPIDUYQLMTVLH-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000063694990 541179079 /nfs/dbraw/zinc/17/90/79/541179079.db2.gz MVEZJQIPRFARAE-ZDUSSCGKSA-N 1 0 363.414 2.216 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccc(F)cc1 ZINC000065497484 541241478 /nfs/dbraw/zinc/24/14/78/541241478.db2.gz IDQQUFQJTGPWAP-HNNXBMFYSA-N 1 0 364.352 2.488 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1C ZINC000066105760 541282854 /nfs/dbraw/zinc/28/28/54/541282854.db2.gz DKKDWFWLGZRCLE-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+](C)[C@H](C)CC)cc([N+](=O)[O-])c1 ZINC000066137889 541284300 /nfs/dbraw/zinc/28/43/00/541284300.db2.gz RYYGONZMDFTZDD-GFCCVEGCSA-N 1 0 351.403 2.232 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067360652 541449118 /nfs/dbraw/zinc/44/91/18/541449118.db2.gz SBVLHAFKESTAPJ-QGZVFWFLSA-N 1 0 371.441 2.352 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000069045890 541652124 /nfs/dbraw/zinc/65/21/24/541652124.db2.gz AYONQRRCLBHYBU-AWEZNQCLSA-N 1 0 365.430 2.219 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069438862 541686479 /nfs/dbraw/zinc/68/64/79/541686479.db2.gz BBVONXGFBITRIL-UHFFFAOYSA-N 1 0 350.419 2.005 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000078737098 205631065 /nfs/dbraw/zinc/63/10/65/205631065.db2.gz CFEWXYVGARZRPK-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116367161 206100588 /nfs/dbraw/zinc/10/05/88/206100588.db2.gz CHTLHDQWFBZYQD-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000075741039 542201332 /nfs/dbraw/zinc/20/13/32/542201332.db2.gz FJTZZGWLGCANGG-BBRMVZONSA-N 1 0 352.341 2.268 20 5 FEBDRO Cc1cnc(NCCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000078659657 542475245 /nfs/dbraw/zinc/47/52/45/542475245.db2.gz PGCUGGQDKGINAG-UHFFFAOYSA-N 1 0 371.445 2.103 20 5 FEBDRO COC1CC[NH+](CCNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000080249721 542578115 /nfs/dbraw/zinc/57/81/15/542578115.db2.gz QMVWRTFPMAIRCF-UHFFFAOYSA-N 1 0 362.430 2.010 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081631816 542669069 /nfs/dbraw/zinc/66/90/69/542669069.db2.gz JOPYIKFLKYLQNI-MRXNPFEDSA-N 1 0 372.469 2.148 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2)CC1 ZINC000089266946 542760107 /nfs/dbraw/zinc/76/01/07/542760107.db2.gz KYAXGHOZELNVEU-UHFFFAOYSA-N 1 0 357.418 2.241 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000802138090 674163276 /nfs/dbraw/zinc/16/32/76/674163276.db2.gz YNMOTHCXUSPDME-CQSZACIVSA-N 1 0 354.428 2.339 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932840 542776194 /nfs/dbraw/zinc/77/61/94/542776194.db2.gz TVSLTQCTWGMTNF-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089961937 542778385 /nfs/dbraw/zinc/77/83/85/542778385.db2.gz WPNLFAFDOPXAGE-ROUUACIJSA-N 1 0 369.421 2.268 20 5 FEBDRO CCC[N@@H+]1CCCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000092993219 542900079 /nfs/dbraw/zinc/90/00/79/542900079.db2.gz OOXNCLYUYRVKRV-UHFFFAOYSA-N 1 0 359.423 2.149 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093665463 542936734 /nfs/dbraw/zinc/93/67/34/542936734.db2.gz IKSCADGBLNPPNV-CYBMUJFWSA-N 1 0 371.384 2.350 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000101571322 543034133 /nfs/dbraw/zinc/03/41/33/543034133.db2.gz UWOZCOCOZWXEBK-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000102766734 543079639 /nfs/dbraw/zinc/07/96/39/543079639.db2.gz IJWBAFXTCNJYFD-UHFFFAOYSA-N 1 0 360.418 2.300 20 5 FEBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000103112955 543092769 /nfs/dbraw/zinc/09/27/69/543092769.db2.gz ZFULETYXBZGNNO-UHFFFAOYSA-N 1 0 359.430 2.080 20 5 FEBDRO C[N@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000104575030 543134495 /nfs/dbraw/zinc/13/44/95/543134495.db2.gz CPMBTPSDSUINQE-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1SC ZINC000108341920 543286727 /nfs/dbraw/zinc/28/67/27/543286727.db2.gz CDZBKZSOYLLNRR-LLVKDONJSA-N 1 0 353.444 2.397 20 5 FEBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c2c(c1)COCO2 ZINC000110848962 543370140 /nfs/dbraw/zinc/37/01/40/543370140.db2.gz KIORXWLOYPERNW-GFCCVEGCSA-N 1 0 350.371 2.046 20 5 FEBDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221051 543386002 /nfs/dbraw/zinc/38/60/02/543386002.db2.gz QAUBZJATKIPMQZ-GXTWGEPZSA-N 1 0 358.398 2.378 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111293087 543394031 /nfs/dbraw/zinc/39/40/31/543394031.db2.gz GPJJIJVYLBTISM-MRXNPFEDSA-N 1 0 360.414 2.010 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1CCO ZINC000112583829 543453224 /nfs/dbraw/zinc/45/32/24/543453224.db2.gz VRJCGWUQSGMKCK-ZDUSSCGKSA-N 1 0 351.403 2.169 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114141562 543505254 /nfs/dbraw/zinc/50/52/54/543505254.db2.gz ADZUTGNDQYECMB-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000116126995 543599638 /nfs/dbraw/zinc/59/96/38/543599638.db2.gz LXOOBUGHLCTOSE-CQSZACIVSA-N 1 0 353.467 2.281 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)nc1 ZINC000118866236 543660741 /nfs/dbraw/zinc/66/07/41/543660741.db2.gz FPXFAUVBGGMBAX-CQSZACIVSA-N 1 0 356.382 2.447 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119879868 543673578 /nfs/dbraw/zinc/67/35/78/543673578.db2.gz BQVOGZHFIVSCOF-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000123262130 543751132 /nfs/dbraw/zinc/75/11/32/543751132.db2.gz ZMFFLRWIYLIFHW-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000124421343 543819982 /nfs/dbraw/zinc/81/99/82/543819982.db2.gz TZIFOUUSVQBSGK-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125680611 543895523 /nfs/dbraw/zinc/89/55/23/543895523.db2.gz JUJJCHLFSPWSGJ-RHSMWYFYSA-N 1 0 374.441 2.222 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126470496 543937630 /nfs/dbraw/zinc/93/76/30/543937630.db2.gz JKNNZQJAXOIELF-RHSMWYFYSA-N 1 0 358.442 2.482 20 5 FEBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000127227473 543979844 /nfs/dbraw/zinc/97/98/44/543979844.db2.gz PIQFIJPDFBUBGT-HZPDHXFCSA-N 1 0 373.384 2.099 20 5 FEBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000128708648 544067666 /nfs/dbraw/zinc/06/76/66/544067666.db2.gz IGICUSNIEWNMDK-UHFFFAOYSA-N 1 0 359.430 2.407 20 5 FEBDRO C[C@]1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000128945142 544081971 /nfs/dbraw/zinc/08/19/71/544081971.db2.gz YYKVRAISEDMXJS-AWEZNQCLSA-N 1 0 356.220 2.477 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000130928281 544170848 /nfs/dbraw/zinc/17/08/48/544170848.db2.gz XJXVKSRSQNQWRY-LBPRGKRZSA-N 1 0 359.423 2.133 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131171886 544179322 /nfs/dbraw/zinc/17/93/22/544179322.db2.gz GJAHJENPCDOXCD-INIZCTEOSA-N 1 0 369.487 2.477 20 5 FEBDRO O=c1c2ccccc2ncn1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131539944 544194534 /nfs/dbraw/zinc/19/45/34/544194534.db2.gz KHUZPLSXNLQJEJ-UHFFFAOYSA-N 1 0 350.378 2.363 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000133637445 544278153 /nfs/dbraw/zinc/27/81/53/544278153.db2.gz XCSSDAPCOMBYNO-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](CO)C(C)(C)C ZINC000134434976 544307834 /nfs/dbraw/zinc/30/78/34/544307834.db2.gz LYDHUYWJTKWZMV-OAHLLOKOSA-N 1 0 351.403 2.232 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134206694 544299127 /nfs/dbraw/zinc/29/91/27/544299127.db2.gz OPPPYHPMGYKXEN-CQSZACIVSA-N 1 0 355.822 2.215 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452681 544347414 /nfs/dbraw/zinc/34/74/14/544347414.db2.gz GOCCZKMUQRWVGK-HZPDHXFCSA-N 1 0 358.398 2.070 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135642938 544357545 /nfs/dbraw/zinc/35/75/45/544357545.db2.gz KICBGHGMRHDHEF-UHFFFAOYSA-N 1 0 363.414 2.113 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000139298954 544401555 /nfs/dbraw/zinc/40/15/55/544401555.db2.gz AINAOUKVVHJUKL-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000139964271 544406294 /nfs/dbraw/zinc/40/62/94/544406294.db2.gz MANYGCVNZMMOLW-FHLIZLRMSA-N 1 0 358.442 2.116 20 5 FEBDRO O=C(CC[NH+]1CCC(N2CCCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153048427 544726857 /nfs/dbraw/zinc/72/68/57/544726857.db2.gz GYUDZZPXXHXJFH-UHFFFAOYSA-N 1 0 374.441 2.400 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152851043 544703047 /nfs/dbraw/zinc/70/30/47/544703047.db2.gz IQFIFDDELSNQDA-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO O=C(C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)N1CCCCC1 ZINC000153723323 544813593 /nfs/dbraw/zinc/81/35/93/544813593.db2.gz UMOULFFIKMMJJW-SFHVURJKSA-N 1 0 361.442 2.353 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000154173786 544872919 /nfs/dbraw/zinc/87/29/19/544872919.db2.gz QWDVSPOCFDOYBX-UKRRQHHQSA-N 1 0 365.430 2.282 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000154383289 544898444 /nfs/dbraw/zinc/89/84/44/544898444.db2.gz CAOWUYMXMQWYTH-OAHLLOKOSA-N 1 0 362.430 2.175 20 5 FEBDRO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC[N@@H+]1Cc1ccccc1 ZINC000154829254 544955012 /nfs/dbraw/zinc/95/50/12/544955012.db2.gz FJJFPQWMCKQZOA-LJQANCHMSA-N 1 0 369.425 2.357 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179764123 327658938 /nfs/dbraw/zinc/65/89/38/327658938.db2.gz MIPCEVRBYHIJQF-LJQANCHMSA-N 1 0 371.393 2.269 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000181890890 327751192 /nfs/dbraw/zinc/75/11/92/327751192.db2.gz BEGRRXKSIVAMGH-KSSFIOAISA-N 1 0 359.430 2.103 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183350831 327812931 /nfs/dbraw/zinc/81/29/31/327812931.db2.gz QZRUCEXIXPTHOI-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 ZINC000183901022 327841583 /nfs/dbraw/zinc/84/15/83/327841583.db2.gz NNQBGRCGSNILMA-UHFFFAOYSA-N 1 0 373.862 2.294 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000184963300 327892474 /nfs/dbraw/zinc/89/24/74/327892474.db2.gz QFSYELZMZUVCMH-MJBXVCDLSA-N 1 0 365.455 2.032 20 5 FEBDRO C[NH+](C)CC1(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000185094102 327899217 /nfs/dbraw/zinc/89/92/17/327899217.db2.gz CTHWPXDTHRYQSD-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(Cn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000186264573 327954483 /nfs/dbraw/zinc/95/44/83/327954483.db2.gz JNFKKIKDFRGGCV-UHFFFAOYSA-N 1 0 372.429 2.236 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186546420 327967447 /nfs/dbraw/zinc/96/74/47/327967447.db2.gz WQVBQTYLSSDJBU-ZDUSSCGKSA-N 1 0 355.398 2.137 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000187171038 328006552 /nfs/dbraw/zinc/00/65/52/328006552.db2.gz VHOWZTDTZHVFDN-CZUORRHYSA-N 1 0 370.409 2.478 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000189112447 328129313 /nfs/dbraw/zinc/12/93/13/328129313.db2.gz ZJWQOCIUHPFCML-INIZCTEOSA-N 1 0 357.476 2.381 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000189159342 328132168 /nfs/dbraw/zinc/13/21/68/328132168.db2.gz SSOLIVISXPAWIT-ZDUSSCGKSA-N 1 0 364.423 2.212 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189190743 328134115 /nfs/dbraw/zinc/13/41/15/328134115.db2.gz MZGVFOWIHGLWOP-SJLPKXTDSA-N 1 0 350.415 2.226 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189284867 328139145 /nfs/dbraw/zinc/13/91/45/328139145.db2.gz UJZIJNYQFHRJGH-CYBMUJFWSA-N 1 0 350.419 2.098 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000189937633 328177294 /nfs/dbraw/zinc/17/72/94/328177294.db2.gz PHLNRSWCSKSSCN-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO COCCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccnc1 ZINC000191240187 328255816 /nfs/dbraw/zinc/25/58/16/328255816.db2.gz WGMRETWUWCVIDW-UHFFFAOYSA-N 1 0 370.409 2.028 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191341317 328260971 /nfs/dbraw/zinc/26/09/71/328260971.db2.gz SPDRJVUCZYJKJA-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000191760008 328280312 /nfs/dbraw/zinc/28/03/12/328280312.db2.gz RIUOHDDCFZQVFO-GFCCVEGCSA-N 1 0 363.443 2.440 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000191885331 328286708 /nfs/dbraw/zinc/28/67/08/328286708.db2.gz QKVLPXRXHNTEOO-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000192728801 328335586 /nfs/dbraw/zinc/33/55/86/328335586.db2.gz JVRANGXLIICVGB-HZPDHXFCSA-N 1 0 359.430 2.167 20 5 FEBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193037850 328353372 /nfs/dbraw/zinc/35/33/72/328353372.db2.gz VZFUEACQLPAYCN-HZMBPMFUSA-N 1 0 361.851 2.434 20 5 FEBDRO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000193000351 328351298 /nfs/dbraw/zinc/35/12/98/328351298.db2.gz GKELCVIQJJADBP-SJORKVTESA-N 1 0 355.398 2.101 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000193747830 328393004 /nfs/dbraw/zinc/39/30/04/328393004.db2.gz IEYWJGFHEJKKLP-UHFFFAOYSA-N 1 0 362.430 2.424 20 5 FEBDRO COC(=O)c1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000010815303 324368803 /nfs/dbraw/zinc/36/88/03/324368803.db2.gz MXPPSGYKAPGAJK-UHFFFAOYSA-N 1 0 363.414 2.420 20 5 FEBDRO CCOc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000236891178 328497211 /nfs/dbraw/zinc/49/72/11/328497211.db2.gz AMEBSDOFXZANNR-LBPRGKRZSA-N 1 0 351.403 2.122 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000067429643 324888649 /nfs/dbraw/zinc/88/86/49/324888649.db2.gz BNRLZXOHMGSIAY-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237312551 328511820 /nfs/dbraw/zinc/51/18/20/328511820.db2.gz ZFODVYVCKBZEKD-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000078617625 325054281 /nfs/dbraw/zinc/05/42/81/325054281.db2.gz CEQYKOHTBGGFMO-CQSZACIVSA-N 1 0 357.414 2.090 20 5 FEBDRO CCCNC(=O)C1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000078655583 325056945 /nfs/dbraw/zinc/05/69/45/325056945.db2.gz GCQRNZWFSFLHOH-UHFFFAOYSA-N 1 0 362.430 2.352 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000079278608 325084336 /nfs/dbraw/zinc/08/43/36/325084336.db2.gz FMNINEUMAAHGCG-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081068151 325157865 /nfs/dbraw/zinc/15/78/65/325157865.db2.gz OUMRUSVSQCJKMQ-CQSZACIVSA-N 1 0 361.320 2.231 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087454782 325283132 /nfs/dbraw/zinc/28/31/32/325283132.db2.gz SPXVZVACBOWDSP-UHFFFAOYSA-N 1 0 363.458 2.487 20 5 FEBDRO [NH3+][C@@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237877176 328532458 /nfs/dbraw/zinc/53/24/58/328532458.db2.gz FUTIGOBWPOGKFE-INIZCTEOSA-N 1 0 354.410 2.334 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090015388 325351447 /nfs/dbraw/zinc/35/14/47/325351447.db2.gz YBQMBQNODUJZRY-GJZGRUSLSA-N 1 0 367.471 2.432 20 5 FEBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068705 325353245 /nfs/dbraw/zinc/35/32/45/325353245.db2.gz GRQHJBRUPYNCHE-JKSUJKDBSA-N 1 0 357.414 2.483 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000090520224 325362228 /nfs/dbraw/zinc/36/22/28/325362228.db2.gz VOPGKWQYGZMHOP-UHFFFAOYSA-N 1 0 371.437 2.480 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000090551962 325363511 /nfs/dbraw/zinc/36/35/11/325363511.db2.gz LVPRJXRBSHTMKK-IBGZPJMESA-N 1 0 371.437 2.480 20 5 FEBDRO [NH3+]CCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237905265 328533750 /nfs/dbraw/zinc/53/37/50/328533750.db2.gz HHVJPWYKFQSFFU-UHFFFAOYSA-N 1 0 360.336 2.001 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399661 326011095 /nfs/dbraw/zinc/01/10/95/326011095.db2.gz HEOLQLOZLFJUHF-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119028140 326119586 /nfs/dbraw/zinc/11/95/86/326119586.db2.gz IUKNBAVICKNJKJ-OAHLLOKOSA-N 1 0 372.429 2.236 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120028388 326223053 /nfs/dbraw/zinc/22/30/53/326223053.db2.gz DYJMQQZAPBHOEO-GOSISDBHSA-N 1 0 370.409 2.483 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167480 326236672 /nfs/dbraw/zinc/23/66/72/326236672.db2.gz JUWQRGRUOHBSGA-LBPRGKRZSA-N 1 0 361.489 2.303 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000120695852 326279625 /nfs/dbraw/zinc/27/96/25/326279625.db2.gz ZSKKCEMYLOZOJR-UHFFFAOYSA-N 1 0 363.414 2.053 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000120960973 326302308 /nfs/dbraw/zinc/30/23/08/326302308.db2.gz PGWCXFSTHLPOOM-UHFFFAOYSA-N 1 0 362.430 2.142 20 5 FEBDRO C[NH+](C)CC(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000121312146 326329025 /nfs/dbraw/zinc/32/90/25/326329025.db2.gz WASFJVJRYHRHQP-UHFFFAOYSA-N 1 0 361.229 2.112 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121565700 326348346 /nfs/dbraw/zinc/34/83/46/326348346.db2.gz VVTPHJAHBUOHTL-OAHLLOKOSA-N 1 0 374.441 2.094 20 5 FEBDRO Cn1ccnc1CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122033271 326381474 /nfs/dbraw/zinc/38/14/74/326381474.db2.gz AYZCHGXPKJVZIP-UHFFFAOYSA-N 1 0 358.398 2.188 20 5 FEBDRO Cc1ccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000124158429 326448727 /nfs/dbraw/zinc/44/87/27/326448727.db2.gz JZTJEJWDESTGPO-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000128559660 326525805 /nfs/dbraw/zinc/52/58/05/326525805.db2.gz CXHIMIKQRQIYIQ-OAHLLOKOSA-N 1 0 357.414 2.204 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136859286 326655893 /nfs/dbraw/zinc/65/58/93/326655893.db2.gz IYSUIRXZEVCWAG-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000136982020 326656862 /nfs/dbraw/zinc/65/68/62/326656862.db2.gz NZQKUYWDYVDRKE-OAHLLOKOSA-N 1 0 367.471 2.403 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000151857729 326693002 /nfs/dbraw/zinc/69/30/02/326693002.db2.gz GCQMLNALQUGHDR-UKRRQHHQSA-N 1 0 363.414 2.093 20 5 FEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[NH2+]1 ZINC000153590342 326737060 /nfs/dbraw/zinc/73/70/60/326737060.db2.gz FRPVTEFOMFNRHU-UWVGGRQHSA-N 1 0 356.220 2.109 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158350592 326892928 /nfs/dbraw/zinc/89/29/28/326892928.db2.gz SXBHJOSKSMEULK-CQSZACIVSA-N 1 0 354.204 2.183 20 5 FEBDRO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000164370462 327069104 /nfs/dbraw/zinc/06/91/04/327069104.db2.gz BEFMGWUSKPRIDV-CYBMUJFWSA-N 1 0 357.476 2.033 20 5 FEBDRO [NH3+][C@H](CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000169187646 327088093 /nfs/dbraw/zinc/08/80/93/327088093.db2.gz WOQQCDYLMHVSGP-NVXWUHKLSA-N 1 0 369.425 2.483 20 5 FEBDRO COc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000172244016 327189399 /nfs/dbraw/zinc/18/93/99/327189399.db2.gz IPKQMKHCOBMLLK-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000173270546 327245529 /nfs/dbraw/zinc/24/55/29/327245529.db2.gz ZHEBPYISKVYLDU-ZIAGYGMSSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000173710562 327278898 /nfs/dbraw/zinc/27/88/98/327278898.db2.gz ZTRSAZIRSWNURJ-INIZCTEOSA-N 1 0 371.441 2.373 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173729066 327279456 /nfs/dbraw/zinc/27/94/56/327279456.db2.gz DDDBUWBNFWVQFU-OAHLLOKOSA-N 1 0 365.430 2.217 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173831799 327287421 /nfs/dbraw/zinc/28/74/21/327287421.db2.gz WOHPZSBDZABNIV-NWDGAFQWSA-N 1 0 373.862 2.496 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173948657 327296684 /nfs/dbraw/zinc/29/66/84/327296684.db2.gz KWZUHVGMBGPJJS-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CCc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000174205314 327313009 /nfs/dbraw/zinc/31/30/09/327313009.db2.gz AMWDUYZCMQRMTP-GOSISDBHSA-N 1 0 374.485 2.399 20 5 FEBDRO CC(C)OCC[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174895779 327359104 /nfs/dbraw/zinc/35/91/04/327359104.db2.gz HXICPFUXBPNZRK-UHFFFAOYSA-N 1 0 351.447 2.406 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1C ZINC000175091004 327373517 /nfs/dbraw/zinc/37/35/17/327373517.db2.gz SYKHKSAYVYLIMI-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000261889608 328827419 /nfs/dbraw/zinc/82/74/19/328827419.db2.gz XIRLYXDOOASQDI-UWVGGRQHSA-N 1 0 365.415 2.167 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261913041 328829105 /nfs/dbraw/zinc/82/91/05/328829105.db2.gz YKNIOISCGXEFFH-YPMHNXCESA-N 1 0 353.444 2.032 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000261944137 328830953 /nfs/dbraw/zinc/83/09/53/328830953.db2.gz FCBDTZGCTLKITR-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000264547542 329034571 /nfs/dbraw/zinc/03/45/71/329034571.db2.gz CEJNTKJTZLKDJU-OAHLLOKOSA-N 1 0 361.398 2.082 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000264645616 329044165 /nfs/dbraw/zinc/04/41/65/329044165.db2.gz WEURDPCCVYCOEM-AWEZNQCLSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1nn(C)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)c1[N+](=O)[O-] ZINC000265488458 329132198 /nfs/dbraw/zinc/13/21/98/329132198.db2.gz VHIMWUYCKFCWJU-NSHDSACASA-N 1 0 365.463 2.427 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000265757983 329157363 /nfs/dbraw/zinc/15/73/63/329157363.db2.gz GFVVQTHIDFZUJU-GJZGRUSLSA-N 1 0 363.458 2.488 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265914487 329172237 /nfs/dbraw/zinc/17/22/37/329172237.db2.gz AETAZPLUGXUFQW-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266207024 329200545 /nfs/dbraw/zinc/20/05/45/329200545.db2.gz PMTFKOATKGDHED-AAEUAGOBSA-N 1 0 359.423 2.085 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266299814 329209386 /nfs/dbraw/zinc/20/93/86/329209386.db2.gz JVUBEBOSQUUKRS-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266770345 329258316 /nfs/dbraw/zinc/25/83/16/329258316.db2.gz JESKMPASQROVNF-HZMBPMFUSA-N 1 0 358.320 2.429 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267153504 329297429 /nfs/dbraw/zinc/29/74/29/329297429.db2.gz HSAXJIIWDKXIQZ-HNNXBMFYSA-N 1 0 354.432 2.162 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000267272060 329309197 /nfs/dbraw/zinc/30/91/97/329309197.db2.gz RRRSBQSRZGSNDZ-UHFFFAOYSA-N 1 0 372.425 2.090 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369635 329319962 /nfs/dbraw/zinc/31/99/62/329319962.db2.gz FUJMOPOLINRSLX-CRAIPNDOSA-N 1 0 371.441 2.208 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000267922912 329368798 /nfs/dbraw/zinc/36/87/98/329368798.db2.gz KPEAXJVCSJZAMG-CQSZACIVSA-N 1 0 354.403 2.046 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000268101541 329385435 /nfs/dbraw/zinc/38/54/35/329385435.db2.gz IAFJMDTWOYNFCI-HNNXBMFYSA-N 1 0 364.446 2.381 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000268168774 329392616 /nfs/dbraw/zinc/39/26/16/329392616.db2.gz IZDGMQRMEQGKOM-CYBMUJFWSA-N 1 0 365.430 2.320 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000269314166 329507042 /nfs/dbraw/zinc/50/70/42/329507042.db2.gz AVAUKUOMPBUXNR-UHFFFAOYSA-N 1 0 366.487 2.287 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000271143796 329666395 /nfs/dbraw/zinc/66/63/95/329666395.db2.gz OXAMYIBFLUBXCC-STQMWFEESA-N 1 0 358.485 2.490 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000272858017 329818588 /nfs/dbraw/zinc/81/85/88/329818588.db2.gz PFJDCARFHZIKMI-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000273450240 329865930 /nfs/dbraw/zinc/86/59/30/329865930.db2.gz DEPBKMFXZIFXTL-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000275205650 330021682 /nfs/dbraw/zinc/02/16/82/330021682.db2.gz AHLXYPQKYXIAFO-WMZOPIPTSA-N 1 0 360.414 2.444 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000275948682 330105752 /nfs/dbraw/zinc/10/57/52/330105752.db2.gz YKHKUVRWMQSIIW-CYBMUJFWSA-N 1 0 362.430 2.030 20 5 FEBDRO CCOCCOCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000276208456 330129248 /nfs/dbraw/zinc/12/92/48/330129248.db2.gz OSPHVZGERJINTM-UHFFFAOYSA-N 1 0 362.430 2.480 20 5 FEBDRO COCCCN(C(=O)c1cc(OC)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291388270 330189236 /nfs/dbraw/zinc/18/92/36/330189236.db2.gz GCWCHQRBSJGTBA-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299691303 330198742 /nfs/dbraw/zinc/19/87/42/330198742.db2.gz NULXRICOMZQOFT-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426212517 330270223 /nfs/dbraw/zinc/27/02/23/330270223.db2.gz ZUADLOLTSLNEQN-HUUCEWRRSA-N 1 0 351.403 2.167 20 5 FEBDRO COCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187590 330275606 /nfs/dbraw/zinc/27/56/06/330275606.db2.gz OLVLOJIKOHYVDA-LSDHHAIUSA-N 1 0 370.471 2.179 20 5 FEBDRO COc1ccc(OCCOC(=O)C(C)(C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000805614182 674347706 /nfs/dbraw/zinc/34/77/06/674347706.db2.gz CJEPSYCGXKBEJM-UHFFFAOYSA-N 1 0 352.387 2.400 20 5 FEBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000477724293 561151928 /nfs/dbraw/zinc/15/19/28/561151928.db2.gz XIKIOOQHUZVTGX-UHFFFAOYSA-N 1 0 358.398 2.380 20 5 FEBDRO Cc1c(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cccc1[N+](=O)[O-] ZINC000157718015 545773686 /nfs/dbraw/zinc/77/36/86/545773686.db2.gz GQKLUFDZCLKWCZ-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477954768 561156861 /nfs/dbraw/zinc/15/68/61/561156861.db2.gz KTFNDQCNAUERLY-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO COc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000477974931 561157391 /nfs/dbraw/zinc/15/73/91/561157391.db2.gz XLXYXXGPNLVSCI-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158409938 545858013 /nfs/dbraw/zinc/85/80/13/545858013.db2.gz XRRMBDAWBHYCCS-JOCHJYFZSA-N 1 0 361.445 2.367 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158859964 545901148 /nfs/dbraw/zinc/90/11/48/545901148.db2.gz LPWPPQLWUKEWCZ-HNNXBMFYSA-N 1 0 373.331 2.362 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159231484 545934055 /nfs/dbraw/zinc/93/40/55/545934055.db2.gz ALOZAWJFCOGWCM-MRXNPFEDSA-N 1 0 353.806 2.229 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159528989 545960686 /nfs/dbraw/zinc/96/06/86/545960686.db2.gz AXIUHDADXAWVRA-LRDDRELGSA-N 1 0 351.403 2.025 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000159731480 545976337 /nfs/dbraw/zinc/97/63/37/545976337.db2.gz XRIZKPDYRUEKTA-HNNXBMFYSA-N 1 0 363.439 2.499 20 5 FEBDRO CC(C)[C@H](CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000161822409 546134488 /nfs/dbraw/zinc/13/44/88/546134488.db2.gz WNRAUIBNFMWRFC-LBPRGKRZSA-N 1 0 374.235 2.292 20 5 FEBDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000161822294 546134568 /nfs/dbraw/zinc/13/45/68/546134568.db2.gz WNRAUIBNFMWRFC-GFCCVEGCSA-N 1 0 374.235 2.292 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000176085106 546403460 /nfs/dbraw/zinc/40/34/60/546403460.db2.gz IUPILJBKQJCNIL-GFCCVEGCSA-N 1 0 350.375 2.225 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176334710 546433156 /nfs/dbraw/zinc/43/31/56/546433156.db2.gz YNXBLPQFSSPFDP-AWEZNQCLSA-N 1 0 352.435 2.232 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161234 546558662 /nfs/dbraw/zinc/55/86/62/546558662.db2.gz WEECYGFNDQZOPH-NEPJUHHUSA-N 1 0 363.414 2.357 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000480757522 561216136 /nfs/dbraw/zinc/21/61/36/561216136.db2.gz LTAAOXUGFUVVDG-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000481970936 561246496 /nfs/dbraw/zinc/24/64/96/561246496.db2.gz RJYVLUVRCVHZSH-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180048438 547043016 /nfs/dbraw/zinc/04/30/16/547043016.db2.gz YLIFZGOQKRDQKK-INIZCTEOSA-N 1 0 369.487 2.131 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180897045 547205061 /nfs/dbraw/zinc/20/50/61/547205061.db2.gz PYJYQLVUPYYTSS-CQSZACIVSA-N 1 0 370.409 2.170 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181407404 547309262 /nfs/dbraw/zinc/30/92/62/547309262.db2.gz CSRASALXWWFYRE-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000483426549 561276929 /nfs/dbraw/zinc/27/69/29/561276929.db2.gz ODSOVYNDQMGTBF-GFCCVEGCSA-N 1 0 354.428 2.474 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000181906521 547403001 /nfs/dbraw/zinc/40/30/01/547403001.db2.gz RARHYHMMARKVLL-UHFFFAOYSA-N 1 0 373.356 2.037 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181943680 547409897 /nfs/dbraw/zinc/40/98/97/547409897.db2.gz GHOHJPUQQQFIJO-HNNXBMFYSA-N 1 0 369.487 2.032 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182015585 547422364 /nfs/dbraw/zinc/42/23/64/547422364.db2.gz LWSOPJNDPWYXGZ-CYBMUJFWSA-N 1 0 366.381 2.465 20 5 FEBDRO CC[N@H+](CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249678 547460452 /nfs/dbraw/zinc/46/04/52/547460452.db2.gz AMYOTCOARAXVEL-ZDUSSCGKSA-N 1 0 351.428 2.356 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000484088665 561291222 /nfs/dbraw/zinc/29/12/22/561291222.db2.gz LMEMQOBUSCOHIW-ZJUUUORDSA-N 1 0 361.320 2.345 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183453166 547663179 /nfs/dbraw/zinc/66/31/79/547663179.db2.gz FFYUYRVKZBEBAK-SFHVURJKSA-N 1 0 369.421 2.020 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000183487198 547669697 /nfs/dbraw/zinc/66/96/97/547669697.db2.gz JTCYUWIUWJZLEU-NSHDSACASA-N 1 0 373.862 2.319 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000484617151 561301285 /nfs/dbraw/zinc/30/12/85/561301285.db2.gz MDXZGXVJIWMGQC-COLVAYQJSA-N 1 0 371.821 2.359 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nnc2n1CCCC2 ZINC000183847200 547728318 /nfs/dbraw/zinc/72/83/18/547728318.db2.gz SFNYNZPERLVTBG-LBPRGKRZSA-N 1 0 358.402 2.030 20 5 FEBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183860772 547730648 /nfs/dbraw/zinc/73/06/48/547730648.db2.gz KJQWJGUBKUZHRA-CQSZACIVSA-N 1 0 363.414 2.033 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184430072 547825575 /nfs/dbraw/zinc/82/55/75/547825575.db2.gz QJNWPSNOXGIRNX-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713741 548024348 /nfs/dbraw/zinc/02/43/48/548024348.db2.gz CGMHOIPNDCUPHO-CZUORRHYSA-N 1 0 360.458 2.436 20 5 FEBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186916815 548217876 /nfs/dbraw/zinc/21/78/76/548217876.db2.gz QZYYLPLACIGQKF-HNNXBMFYSA-N 1 0 356.382 2.090 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2OCCOC)cc1[N+](=O)[O-] ZINC000486095801 561338092 /nfs/dbraw/zinc/33/80/92/561338092.db2.gz XTJSNQQBTPNNAO-JCKWVBRZSA-N 1 0 368.430 2.465 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@H]2C1 ZINC000192486029 548365123 /nfs/dbraw/zinc/36/51/23/548365123.db2.gz UKYBKKIBWTYIOJ-IYBDPMFKSA-N 1 0 361.445 2.175 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000192854425 548374977 /nfs/dbraw/zinc/37/49/77/548374977.db2.gz JZJZLXBVDSSCAM-UHFFFAOYSA-N 1 0 358.402 2.404 20 5 FEBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000487441102 561369878 /nfs/dbraw/zinc/36/98/78/561369878.db2.gz FJGKGDNIAPNGGI-AWEZNQCLSA-N 1 0 355.398 2.089 20 5 FEBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000236760242 548778035 /nfs/dbraw/zinc/77/80/35/548778035.db2.gz LKYUXQUZPOVLOH-MRXNPFEDSA-N 1 0 359.430 2.466 20 5 FEBDRO CC[NH2+]CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237001990 548793886 /nfs/dbraw/zinc/79/38/86/548793886.db2.gz RNNVYXQSZXZIED-UHFFFAOYSA-N 1 0 372.212 2.427 20 5 FEBDRO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237966533 548867699 /nfs/dbraw/zinc/86/76/99/548867699.db2.gz LTCYDKUHWMELIS-LJQANCHMSA-N 1 0 366.421 2.130 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000237987491 548869547 /nfs/dbraw/zinc/86/95/47/548869547.db2.gz UQDMXHMUVNQIOT-UHFFFAOYSA-N 1 0 374.422 2.144 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487983018 561380668 /nfs/dbraw/zinc/38/06/68/561380668.db2.gz TYNNQPWFCMLIAS-ZVZYQTTQSA-N 1 0 352.431 2.472 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246046022 549040657 /nfs/dbraw/zinc/04/06/57/549040657.db2.gz BVRABYTUQSHBEA-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000488386665 561388972 /nfs/dbraw/zinc/38/89/72/561388972.db2.gz SOBJVRQLAKFNKI-UHFFFAOYSA-N 1 0 371.397 2.001 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246468237 549140353 /nfs/dbraw/zinc/14/03/53/549140353.db2.gz GPNWVMOLHSESLC-YOEHRIQHSA-N 1 0 371.441 2.269 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246578098 549166864 /nfs/dbraw/zinc/16/68/64/549166864.db2.gz WOCDLBNMJFPINI-ZNMIVQPWSA-N 1 0 369.487 2.381 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247337499 549321569 /nfs/dbraw/zinc/32/15/69/549321569.db2.gz NINWKMUSUKMGOZ-SJORKVTESA-N 1 0 363.414 2.112 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248704188 549487022 /nfs/dbraw/zinc/48/70/22/549487022.db2.gz LNEKNUUMLQBARY-UZLBHIALSA-N 1 0 370.405 2.466 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249118817 549556070 /nfs/dbraw/zinc/55/60/70/549556070.db2.gz TUEUQJJDINNTGO-BFYDXBDKSA-N 1 0 363.458 2.077 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000249151153 549561407 /nfs/dbraw/zinc/56/14/07/549561407.db2.gz HGJGFCKTYBRWGI-KGLIPLIRSA-N 1 0 355.460 2.135 20 5 FEBDRO C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000250199011 549639419 /nfs/dbraw/zinc/63/94/19/549639419.db2.gz BFQMDUSDEFQASE-VNHYZAJKSA-N 1 0 365.405 2.448 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1OC ZINC000490302099 561430466 /nfs/dbraw/zinc/43/04/66/561430466.db2.gz RXZNYQJVIMLHNW-HNNXBMFYSA-N 1 0 365.430 2.414 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000263737746 549928605 /nfs/dbraw/zinc/92/86/05/549928605.db2.gz IBYMKUSGQCNWDW-UHFFFAOYSA-N 1 0 374.441 2.167 20 5 FEBDRO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000490849455 561439143 /nfs/dbraw/zinc/43/91/43/561439143.db2.gz YKESPKQWEQEJHH-SPYBWZPUSA-N 1 0 363.458 2.029 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000268975588 550139538 /nfs/dbraw/zinc/13/95/38/550139538.db2.gz OVKSCCFOZSRNIN-BBRMVZONSA-N 1 0 354.428 2.189 20 5 FEBDRO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000269625500 550211765 /nfs/dbraw/zinc/21/17/65/550211765.db2.gz GAAZYOHDUOCLCH-CYBMUJFWSA-N 1 0 363.414 2.047 20 5 FEBDRO CC1CC[NH+](CCN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000493637720 561457291 /nfs/dbraw/zinc/45/72/91/561457291.db2.gz ZWRXJZHLPODTKD-UHFFFAOYSA-N 1 0 366.487 2.146 20 5 FEBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])c3nonc32)ccn1 ZINC000270721654 550300580 /nfs/dbraw/zinc/30/05/80/550300580.db2.gz OIXWVBHKMMHXKK-UHFFFAOYSA-N 1 0 358.358 2.079 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)C1 ZINC000271107045 550341126 /nfs/dbraw/zinc/34/11/26/550341126.db2.gz LMUSKNWPTJXPSL-AWEZNQCLSA-N 1 0 371.441 2.490 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2=CC[N@H+](C)CC2)cc1SC ZINC000271820737 550404536 /nfs/dbraw/zinc/40/45/36/550404536.db2.gz GFOZVVHLYJXDBW-UHFFFAOYSA-N 1 0 351.428 2.317 20 5 FEBDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272052300 550418792 /nfs/dbraw/zinc/41/87/92/550418792.db2.gz HPDIGKWHVCKRPR-HZMBPMFUSA-N 1 0 358.320 2.429 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)c1[N+](=O)[O-] ZINC000272083620 550421452 /nfs/dbraw/zinc/42/14/52/550421452.db2.gz HRZGPGBVXOKUJS-UHFFFAOYSA-N 1 0 372.429 2.409 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000272177252 550427426 /nfs/dbraw/zinc/42/74/26/550427426.db2.gz JNODGUPJOCATIK-RDTXWAMCSA-N 1 0 358.442 2.361 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272409720 550445172 /nfs/dbraw/zinc/44/51/72/550445172.db2.gz KZDCMXJIMZJQKY-IAQYHMDHSA-N 1 0 373.862 2.271 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273247518 550491552 /nfs/dbraw/zinc/49/15/52/550491552.db2.gz YLPDDHVMPXXBGP-GFCCVEGCSA-N 1 0 373.862 2.177 20 5 FEBDRO C[C@H](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCCC1 ZINC000273331997 550494646 /nfs/dbraw/zinc/49/46/46/550494646.db2.gz YUNJBDSVQYLTCP-CYBMUJFWSA-N 1 0 363.414 2.360 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273526654 550501905 /nfs/dbraw/zinc/50/19/05/550501905.db2.gz ZTBBAPQZLGIDOD-CYBMUJFWSA-N 1 0 364.446 2.475 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000273974268 550517713 /nfs/dbraw/zinc/51/77/13/550517713.db2.gz SFENPCOTTSCSQA-UHFFFAOYSA-N 1 0 367.421 2.239 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000277009657 550621341 /nfs/dbraw/zinc/62/13/41/550621341.db2.gz XWLHZKAAVMHROE-UHFFFAOYSA-N 1 0 372.381 2.091 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000277044285 550625453 /nfs/dbraw/zinc/62/54/53/550625453.db2.gz HOSZDURRGSGGLT-GDBMZVCRSA-N 1 0 365.455 2.255 20 5 FEBDRO COC1(C[C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277154177 550637722 /nfs/dbraw/zinc/63/77/22/550637722.db2.gz QLESIMFEFHVVEJ-CYBMUJFWSA-N 1 0 356.444 2.306 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[S@](=O)CC1 ZINC000277169103 550639540 /nfs/dbraw/zinc/63/95/40/550639540.db2.gz KQUUPOHYORELAD-YEBMWUKDSA-N 1 0 353.444 2.075 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C)c([N+](=O)[O-])c1 ZINC000277309680 550654741 /nfs/dbraw/zinc/65/47/41/550654741.db2.gz UYKWHUNYZVWZEO-AWEZNQCLSA-N 1 0 374.397 2.168 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NCC1CC[NH+](C2CC2)CC1 ZINC000277726997 550706646 /nfs/dbraw/zinc/70/66/46/550706646.db2.gz GQHUDFNMITWYKL-UHFFFAOYSA-N 1 0 361.446 2.180 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277810493 550716641 /nfs/dbraw/zinc/71/66/41/550716641.db2.gz XKFCIEGNIGBKNA-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO CC(C)[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[NH+]1CCCC1 ZINC000278132656 550752912 /nfs/dbraw/zinc/75/29/12/550752912.db2.gz NBFKNAMYRATKPO-INIZCTEOSA-N 1 0 374.445 2.391 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000278289285 550769280 /nfs/dbraw/zinc/76/92/80/550769280.db2.gz PRUVFNWDYYYXKY-WPRPVWTQSA-N 1 0 359.329 2.075 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000278600248 550802988 /nfs/dbraw/zinc/80/29/88/550802988.db2.gz FRIGIIOAMKTWQE-BLLLJJGKSA-N 1 0 374.445 2.343 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278786362 550821856 /nfs/dbraw/zinc/82/18/56/550821856.db2.gz YOSPEPJAODSIPL-HNNXBMFYSA-N 1 0 363.458 2.490 20 5 FEBDRO Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000279130789 550857407 /nfs/dbraw/zinc/85/74/07/550857407.db2.gz RAICHBWNOFIMKR-IAGOWNOFSA-N 1 0 369.425 2.446 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510497 550898286 /nfs/dbraw/zinc/89/82/86/550898286.db2.gz UHFULMJGAREVSF-SMDDNHRTSA-N 1 0 352.410 2.212 20 5 FEBDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000279822862 550932728 /nfs/dbraw/zinc/93/27/28/550932728.db2.gz YGZCJQWRLPXQRC-YJBOKZPZSA-N 1 0 361.421 2.373 20 5 FEBDRO Cn1cc(C[NH2+]CC2([S@@](C)=O)CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280645769 551017091 /nfs/dbraw/zinc/01/70/91/551017091.db2.gz NPRJPCBPKIUNOY-RUZDIDTESA-N 1 0 362.455 2.386 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(OCC)c(OC)cc1[N+](=O)[O-] ZINC000496362031 561493583 /nfs/dbraw/zinc/49/35/83/561493583.db2.gz ZTNUAYUZMGCWPQ-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO COC(=O)c1cc(NCCN2CC[N@H+](C)C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000281763589 551140331 /nfs/dbraw/zinc/14/03/31/551140331.db2.gz ZAGQADXJRVGCQG-UHFFFAOYSA-N 1 0 364.446 2.128 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000282925907 551285738 /nfs/dbraw/zinc/28/57/38/551285738.db2.gz HTRUBUUDYYZNSQ-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217223 561518974 /nfs/dbraw/zinc/51/89/74/561518974.db2.gz VDWSQQXDMNZGLO-NWDGAFQWSA-N 1 0 373.356 2.076 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCOCC2)CC1 ZINC000284654219 551599874 /nfs/dbraw/zinc/59/98/74/551599874.db2.gz FLBBLQSNIUMBMS-HNNXBMFYSA-N 1 0 350.415 2.227 20 5 FEBDRO O=c1cc(C[N@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c2c(ccc3ccccc32)o1 ZINC000284889158 551659254 /nfs/dbraw/zinc/65/92/54/551659254.db2.gz SYASCDSKXSGOTO-FQEVSTJZSA-N 1 0 362.389 2.158 20 5 FEBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000498711806 561532489 /nfs/dbraw/zinc/53/24/89/561532489.db2.gz VOFZTUBAMSTTKN-CYBMUJFWSA-N 1 0 357.414 2.162 20 5 FEBDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285230371 551723751 /nfs/dbraw/zinc/72/37/51/551723751.db2.gz QMNVBDQJOMFMBP-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285251226 551726892 /nfs/dbraw/zinc/72/68/92/551726892.db2.gz IHLHDWQUQDMHPY-UHFFFAOYSA-N 1 0 357.414 2.302 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000285470809 551761123 /nfs/dbraw/zinc/76/11/23/551761123.db2.gz QFEXABQCWHHYRJ-XKQJLSEDSA-N 1 0 362.430 2.079 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000285473562 551761974 /nfs/dbraw/zinc/76/19/74/551761974.db2.gz OAPGDXBDGZJVCF-MKXGPGLRSA-N 1 0 356.426 2.420 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285517296 551768615 /nfs/dbraw/zinc/76/86/15/551768615.db2.gz NZUMISYOOLMCFW-NNQSOWQGSA-N 1 0 362.430 2.099 20 5 FEBDRO CCc1ccc(C(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000286349557 551877396 /nfs/dbraw/zinc/87/73/96/551877396.db2.gz KSNPLTZAYIGXOK-IRXDYDNUSA-N 1 0 361.442 2.483 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286729318 551919719 /nfs/dbraw/zinc/91/97/19/551919719.db2.gz FMFWFCGODQBGEH-LLVKDONJSA-N 1 0 350.448 2.037 20 5 FEBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287002577 551950480 /nfs/dbraw/zinc/95/04/80/551950480.db2.gz QCLGVIJAWHLFEE-CYBMUJFWSA-N 1 0 364.402 2.134 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000288122441 552095090 /nfs/dbraw/zinc/09/50/90/552095090.db2.gz JIEFZCWZLVPCHJ-MRXNPFEDSA-N 1 0 364.446 2.010 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288211173 552111610 /nfs/dbraw/zinc/11/16/10/552111610.db2.gz TXEDGRYIKMKRMI-YIONKMFJSA-N 1 0 374.441 2.234 20 5 FEBDRO [NH3+][C@H]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)sc2C1 ZINC000288569848 552176965 /nfs/dbraw/zinc/17/69/65/552176965.db2.gz HJFVHNSHHISKJD-QMMMGPOBSA-N 1 0 366.374 2.024 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289795333 552379983 /nfs/dbraw/zinc/37/99/83/552379983.db2.gz HYLOFWTXAGBJOK-OAHLLOKOSA-N 1 0 373.413 2.384 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCn2ccnc2)c1 ZINC000290040688 552418138 /nfs/dbraw/zinc/41/81/38/552418138.db2.gz WKPGZNDEBJWOPS-UHFFFAOYSA-N 1 0 372.166 2.186 20 5 FEBDRO CCc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000290542123 552495576 /nfs/dbraw/zinc/49/55/76/552495576.db2.gz PHQBKPRZYLMGGQ-HNNXBMFYSA-N 1 0 357.414 2.366 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808875 552541979 /nfs/dbraw/zinc/54/19/79/552541979.db2.gz QXUROIIBLIMMFF-XJKSGUPXSA-N 1 0 369.425 2.411 20 5 FEBDRO CS(=O)(=O)CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290847689 552548710 /nfs/dbraw/zinc/54/87/10/552548710.db2.gz JLOUOYCRWWDAMK-UHFFFAOYSA-N 1 0 371.242 2.052 20 5 FEBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501100199 561589946 /nfs/dbraw/zinc/58/99/46/561589946.db2.gz NSLVDZHOAZHQLJ-KRWDZBQOSA-N 1 0 350.419 2.080 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291666458 552648797 /nfs/dbraw/zinc/64/87/97/552648797.db2.gz GBOOMNSKFSMZIF-CYBMUJFWSA-N 1 0 359.386 2.076 20 5 FEBDRO CCOc1cc(C[NH+]2CCC(C(=O)N(C)OC)CC2)ccc1[N+](=O)[O-] ZINC000291880893 552671204 /nfs/dbraw/zinc/67/12/04/552671204.db2.gz QFOKKKGJLUJRLG-UHFFFAOYSA-N 1 0 351.403 2.225 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000501359769 561595965 /nfs/dbraw/zinc/59/59/65/561595965.db2.gz IZARWXZYUODZGH-SNVBAGLBSA-N 1 0 373.356 2.229 20 5 FEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000501486807 561598567 /nfs/dbraw/zinc/59/85/67/561598567.db2.gz VESOKULBKTXKAR-ZDUSSCGKSA-N 1 0 373.413 2.301 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000292725239 552752637 /nfs/dbraw/zinc/75/26/37/552752637.db2.gz GCUFLQFCLKGOTG-INIZCTEOSA-N 1 0 353.444 2.010 20 5 FEBDRO Cc1cc(N2CCC[C@H](n3cc(CO)nn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292796162 552759218 /nfs/dbraw/zinc/75/92/18/552759218.db2.gz MWYOOPNUMIQJQH-HNNXBMFYSA-N 1 0 368.397 2.377 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC1)OCCCO2 ZINC000293220140 552800495 /nfs/dbraw/zinc/80/04/95/552800495.db2.gz YRXJGGIKJTVLDW-UHFFFAOYSA-N 1 0 363.414 2.461 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000293499244 552829960 /nfs/dbraw/zinc/82/99/60/552829960.db2.gz VWPCOBICIQXKRM-ZDUSSCGKSA-N 1 0 374.441 2.175 20 5 FEBDRO O=Cc1ccc(OCC(=O)NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000294025983 552876283 /nfs/dbraw/zinc/87/62/83/552876283.db2.gz WEXCOMUWRNUEQI-UHFFFAOYSA-N 1 0 363.414 2.168 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294539188 552914114 /nfs/dbraw/zinc/91/41/14/552914114.db2.gz MRSJGMPJBUHXIW-LBPRGKRZSA-N 1 0 355.398 2.199 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000294738013 552930486 /nfs/dbraw/zinc/93/04/86/552930486.db2.gz CCSAUAZSDLPABU-UHFFFAOYSA-N 1 0 355.822 2.399 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000295033707 552952972 /nfs/dbraw/zinc/95/29/72/552952972.db2.gz DLCTUBIIHHMUQY-OAHLLOKOSA-N 1 0 364.373 2.444 20 5 FEBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502015064 561610068 /nfs/dbraw/zinc/61/00/68/561610068.db2.gz FZBBVCCOKRGFDC-XJKSGUPXSA-N 1 0 355.460 2.432 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000295363732 552994399 /nfs/dbraw/zinc/99/43/99/552994399.db2.gz JIFNOQGRNQEGRS-ZDUSSCGKSA-N 1 0 354.428 2.060 20 5 FEBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000295634987 553037071 /nfs/dbraw/zinc/03/70/71/553037071.db2.gz XTXJXSCCVRGXCX-UHFFFAOYSA-N 1 0 355.460 2.309 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296380874 553150711 /nfs/dbraw/zinc/15/07/11/553150711.db2.gz TUDIZUQLQFTVJD-CSMYWGQOSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000297941948 553360256 /nfs/dbraw/zinc/36/02/56/553360256.db2.gz AJBBCFACBVKEAC-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025662 553373132 /nfs/dbraw/zinc/37/31/32/553373132.db2.gz DVHRRTAMXQWYTQ-JSGCOSHPSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025664 553373194 /nfs/dbraw/zinc/37/31/94/553373194.db2.gz DVHRRTAMXQWYTQ-OCCSQVGLSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000503424074 561641094 /nfs/dbraw/zinc/64/10/94/561641094.db2.gz FJIBUMIEGSSMCU-HUUCEWRRSA-N 1 0 369.487 2.320 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000503503370 561643154 /nfs/dbraw/zinc/64/31/54/561643154.db2.gz HGRYOFXQZPRCAI-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO O=C(CC[NH2+][C@@]1(CO)CCOc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000298613297 553449295 /nfs/dbraw/zinc/44/92/95/553449295.db2.gz UBXKRKGJDICMLF-LJQANCHMSA-N 1 0 371.393 2.183 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299145443 553521349 /nfs/dbraw/zinc/52/13/49/553521349.db2.gz QHPSSZBPRCWPCG-KGLIPLIRSA-N 1 0 372.429 2.026 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000299483474 553569712 /nfs/dbraw/zinc/56/97/12/553569712.db2.gz GJVIZUFNZLSVHE-UHFFFAOYSA-N 1 0 359.430 2.258 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556725 553580682 /nfs/dbraw/zinc/58/06/82/553580682.db2.gz XEDSENBKKPJAHP-UONOGXRCSA-N 1 0 362.386 2.476 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302703 561655967 /nfs/dbraw/zinc/65/59/67/561655967.db2.gz OKLBDQWPCQFKJY-CVEARBPZSA-N 1 0 373.457 2.053 20 5 FEBDRO COC(=O)c1cc(N2CCN(c3cc[nH+]cc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000301666929 553670133 /nfs/dbraw/zinc/67/01/33/553670133.db2.gz COUMOGFTRAUULZ-UHFFFAOYSA-N 1 0 356.382 2.411 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897470 553689799 /nfs/dbraw/zinc/68/97/99/553689799.db2.gz RHCHNYRQVIETAX-CYBMUJFWSA-N 1 0 355.460 2.309 20 5 FEBDRO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301960664 553694457 /nfs/dbraw/zinc/69/44/57/553694457.db2.gz MLDVETANRPFFOK-CQSZACIVSA-N 1 0 366.849 2.475 20 5 FEBDRO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@@H+]2C2CC2)c1 ZINC000302031213 553699157 /nfs/dbraw/zinc/69/91/57/553699157.db2.gz IKWOTLZGEOGKOG-ZBFHGGJFSA-N 1 0 370.413 2.366 20 5 FEBDRO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@@H+]2C2CC2)c1 ZINC000302031212 553699292 /nfs/dbraw/zinc/69/92/92/553699292.db2.gz IKWOTLZGEOGKOG-HOCLYGCPSA-N 1 0 370.413 2.366 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC[NH+]1CCC1 ZINC000505423098 561670823 /nfs/dbraw/zinc/67/08/23/561670823.db2.gz YVYNAIUCCYYRNQ-UHFFFAOYSA-N 1 0 360.336 2.238 20 5 FEBDRO Cc1nn(C)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302798452 553733813 /nfs/dbraw/zinc/73/38/13/553733813.db2.gz RMCBHYSPWUWCCE-MRXNPFEDSA-N 1 0 359.430 2.340 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505487761 561671910 /nfs/dbraw/zinc/67/19/10/561671910.db2.gz KCWQXNKIWGCHDX-UHFFFAOYSA-N 1 0 372.429 2.220 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCCC[C@H]3CO)ncn1)CC2 ZINC000302903765 553741370 /nfs/dbraw/zinc/74/13/70/553741370.db2.gz RQFKAPZLJZOMQB-KRWDZBQOSA-N 1 0 369.425 2.299 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000312877949 553756465 /nfs/dbraw/zinc/75/64/65/553756465.db2.gz NTYGJHYMXMOENT-VIFPVBQESA-N 1 0 351.215 2.310 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@]1(C)C[NH3+] ZINC000314689943 553759502 /nfs/dbraw/zinc/75/95/02/553759502.db2.gz BFLRCYQUMCZAEW-YMTOWFKASA-N 1 0 356.220 2.414 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000324980813 553774388 /nfs/dbraw/zinc/77/43/88/553774388.db2.gz RFDXWQSVQGNYIX-UONOGXRCSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507380842 561727188 /nfs/dbraw/zinc/72/71/88/561727188.db2.gz MJOCKQKXRTVHQT-UONOGXRCSA-N 1 0 355.460 2.444 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454965 554123759 /nfs/dbraw/zinc/12/37/59/554123759.db2.gz WODSLLDHCPGQLP-MGPQQGTHSA-N 1 0 351.451 2.009 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000508181164 561754105 /nfs/dbraw/zinc/75/41/05/561754105.db2.gz JTMZJOLDXFTNFZ-UHFFFAOYSA-N 1 0 365.430 2.317 20 5 FEBDRO C[C@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952532 561746927 /nfs/dbraw/zinc/74/69/27/561746927.db2.gz SAXBVXAXSSIJMV-KBPBESRZSA-N 1 0 355.460 2.289 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000331161339 554223926 /nfs/dbraw/zinc/22/39/26/554223926.db2.gz RCFDNVFSZLKSHX-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000331378963 554254461 /nfs/dbraw/zinc/25/44/61/554254461.db2.gz AEIXCAFYPHMATI-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]2CCCCN12 ZINC000509398502 561797700 /nfs/dbraw/zinc/79/77/00/561797700.db2.gz ANBGEJPGHCSWAM-STQMWFEESA-N 1 0 355.341 2.439 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000331951709 554351332 /nfs/dbraw/zinc/35/13/32/554351332.db2.gz SSSFTFUNDUXAND-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954530 554351876 /nfs/dbraw/zinc/35/18/76/554351876.db2.gz TUTFEBGKHFKLGG-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034781 554367589 /nfs/dbraw/zinc/36/75/89/554367589.db2.gz JCEDNZQAFZNLIV-MRXNPFEDSA-N 1 0 362.430 2.165 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000332075354 554374795 /nfs/dbraw/zinc/37/47/95/554374795.db2.gz FRDRMJHSQMRGEF-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000509623547 561807803 /nfs/dbraw/zinc/80/78/03/561807803.db2.gz YANFPOIRZYVZGC-ZDUSSCGKSA-N 1 0 364.373 2.389 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000332341948 554428904 /nfs/dbraw/zinc/42/89/04/554428904.db2.gz NEIGXOJDMCAGEH-UHFFFAOYSA-N 1 0 358.398 2.405 20 5 FEBDRO C[C@H]1C[NH+](CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000332461707 554450453 /nfs/dbraw/zinc/45/04/53/554450453.db2.gz JLWIYNRKAQEHFB-KBPBESRZSA-N 1 0 364.446 2.274 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000332561849 554471768 /nfs/dbraw/zinc/47/17/68/554471768.db2.gz VPAOZSFNHPHABH-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572365 554474294 /nfs/dbraw/zinc/47/42/94/554474294.db2.gz DTNWCQWBJCPCIM-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510668675 561842896 /nfs/dbraw/zinc/84/28/96/561842896.db2.gz SWFVLDFJZKBVAA-HOTGVXAUSA-N 1 0 353.444 2.041 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000511045047 561854813 /nfs/dbraw/zinc/85/48/13/561854813.db2.gz JCAUUFDTVCZTMD-HNNXBMFYSA-N 1 0 363.439 2.046 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000359928370 554856706 /nfs/dbraw/zinc/85/67/06/554856706.db2.gz RJGDWWJSXALHRQ-SGQUHAKNSA-N 1 0 372.469 2.237 20 5 FEBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000360324614 554870945 /nfs/dbraw/zinc/87/09/45/554870945.db2.gz WVXKPWWRUZFJEW-GDBMZVCRSA-N 1 0 360.414 2.214 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000360521326 554878194 /nfs/dbraw/zinc/87/81/94/554878194.db2.gz BMUPIPUFZJEEFB-MRXNPFEDSA-N 1 0 369.425 2.335 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1cccs1 ZINC000361390543 554920477 /nfs/dbraw/zinc/92/04/77/554920477.db2.gz GVEOTMPGYCIAAA-IINYFYTJSA-N 1 0 362.411 2.180 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361813403 554936212 /nfs/dbraw/zinc/93/62/12/554936212.db2.gz MLZCYNARBIPZAC-QWRGUYRKSA-N 1 0 364.358 2.328 20 5 FEBDRO CNC(=O)c1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813538 554936227 /nfs/dbraw/zinc/93/62/27/554936227.db2.gz MEFJGFVNTDYXAT-GDBMZVCRSA-N 1 0 362.430 2.010 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362080673 554948672 /nfs/dbraw/zinc/94/86/72/554948672.db2.gz SZWXFCDVFWVRHJ-YJBOKZPZSA-N 1 0 362.474 2.061 20 5 FEBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000363075904 555024789 /nfs/dbraw/zinc/02/47/89/555024789.db2.gz AJTMZZCHCULKFY-UHFFFAOYSA-N 1 0 363.462 2.411 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000363650295 555154965 /nfs/dbraw/zinc/15/49/65/555154965.db2.gz GGJCBCYNQOLTKN-HNNXBMFYSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000363892983 555208374 /nfs/dbraw/zinc/20/83/74/555208374.db2.gz WORPBAWCSZBZFU-UHFFFAOYSA-N 1 0 361.442 2.364 20 5 FEBDRO COc1ccc(OCCN2CC[NH+]([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000363921160 555214253 /nfs/dbraw/zinc/21/42/53/555214253.db2.gz LJSSPCSEYVFBTC-AWEZNQCLSA-N 1 0 367.471 2.105 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)c1 ZINC000363924446 555215247 /nfs/dbraw/zinc/21/52/47/555215247.db2.gz NPTRXEWQGNNDIF-UHFFFAOYSA-N 1 0 370.335 2.480 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000512165350 561894515 /nfs/dbraw/zinc/89/45/15/561894515.db2.gz QFTNVEWKYDTLET-GDBMZVCRSA-N 1 0 374.441 2.451 20 5 FEBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000364048240 555240231 /nfs/dbraw/zinc/24/02/31/555240231.db2.gz BSQMOPNAVOOVRK-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364185951 555265500 /nfs/dbraw/zinc/26/55/00/555265500.db2.gz WMJQIRJUSAWZMJ-LSDHHAIUSA-N 1 0 373.862 2.449 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364204260 555269316 /nfs/dbraw/zinc/26/93/16/555269316.db2.gz ZBZPWOOLASPENL-GJZGRUSLSA-N 1 0 359.357 2.066 20 5 FEBDRO O=C(CN1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)Nc1ccc(Cl)cn1 ZINC000364340127 555294628 /nfs/dbraw/zinc/29/46/28/555294628.db2.gz RMFKKPYOXRPMOZ-GFCCVEGCSA-N 1 0 364.793 2.115 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000364369064 555300483 /nfs/dbraw/zinc/30/04/83/555300483.db2.gz AEYXPBJYRGSJPQ-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364375316 555301650 /nfs/dbraw/zinc/30/16/50/555301650.db2.gz ADEOULNUGQMYBI-RRFJBIMHSA-N 1 0 364.450 2.011 20 5 FEBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000364386766 555303861 /nfs/dbraw/zinc/30/38/61/555303861.db2.gz RRKPNOCXHSUATC-CYBMUJFWSA-N 1 0 363.418 2.108 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364570716 555341468 /nfs/dbraw/zinc/34/14/68/555341468.db2.gz QUJXJMUFCQIKNN-YJBOKZPZSA-N 1 0 370.409 2.421 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512821315 561916923 /nfs/dbraw/zinc/91/69/23/561916923.db2.gz BHFXDSXCOOMYQB-LLVKDONJSA-N 1 0 373.356 2.493 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000512851398 561917652 /nfs/dbraw/zinc/91/76/52/561917652.db2.gz OCFJWHWJXXHYJN-PDTSHOSPSA-N 1 0 367.471 2.306 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000365093140 555483538 /nfs/dbraw/zinc/48/35/38/555483538.db2.gz SAECFAMEGIJZPN-AEFFLSMTSA-N 1 0 355.398 2.124 20 5 FEBDRO CN(C(=O)C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000365222177 555514948 /nfs/dbraw/zinc/51/49/48/555514948.db2.gz OVFAXWCTSUEBRO-YWZLYKJASA-N 1 0 369.421 2.443 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513021590 561922575 /nfs/dbraw/zinc/92/25/75/561922575.db2.gz GNINAOCZPFLAFO-VFADXPBXSA-N 1 0 353.444 2.012 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365540089 555603009 /nfs/dbraw/zinc/60/30/09/555603009.db2.gz QQHGUUIZXSUSGI-QANKJYHBSA-N 1 0 358.442 2.217 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365550000 555606263 /nfs/dbraw/zinc/60/62/63/555606263.db2.gz SNKBPUVQYFMSOF-HFTRVMKXSA-N 1 0 358.442 2.258 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555975 555607596 /nfs/dbraw/zinc/60/75/96/555607596.db2.gz WWXUNODSELMVBR-VBNZEHGJSA-N 1 0 374.397 2.368 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555973 555607990 /nfs/dbraw/zinc/60/79/90/555607990.db2.gz WWXUNODSELMVBR-MAZHCROVSA-N 1 0 374.397 2.368 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000365703299 555645288 /nfs/dbraw/zinc/64/52/88/555645288.db2.gz NIRQJWDIRWLUFD-GMXVVIOVSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365824613 555675831 /nfs/dbraw/zinc/67/58/31/555675831.db2.gz ZAIAAVHYNAAOKP-KRWDZBQOSA-N 1 0 374.441 2.485 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000366440184 555844395 /nfs/dbraw/zinc/84/43/95/555844395.db2.gz PJCCHYWSBHBCMC-KBAYOESNSA-N 1 0 361.442 2.238 20 5 FEBDRO CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000514598700 561968913 /nfs/dbraw/zinc/96/89/13/561968913.db2.gz IIHHYMMZHWNVOI-QGZVFWFLSA-N 1 0 358.394 2.369 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367325025 556018249 /nfs/dbraw/zinc/01/82/49/556018249.db2.gz AHMYDASLQVNWOV-CQSZACIVSA-N 1 0 352.822 2.167 20 5 FEBDRO O=C(NCc1cnc2n1CCCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367645168 556104032 /nfs/dbraw/zinc/10/40/32/556104032.db2.gz PHZYZKZIBQZAPU-UHFFFAOYSA-N 1 0 358.383 2.062 20 5 FEBDRO Cn1ccc(N2CC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000367693645 556115869 /nfs/dbraw/zinc/11/58/69/556115869.db2.gz ANNLMEKVBQQMLX-GFCCVEGCSA-N 1 0 367.356 2.298 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000367783118 556137860 /nfs/dbraw/zinc/13/78/60/556137860.db2.gz KMFBCNXWTLEUOG-OAHLLOKOSA-N 1 0 355.398 2.150 20 5 FEBDRO COC[C@@H]1CCCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000368657273 556375701 /nfs/dbraw/zinc/37/57/01/556375701.db2.gz AUBQQZCDHPRZGR-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692216 556386910 /nfs/dbraw/zinc/38/69/10/556386910.db2.gz MFQRWYVJYHXCDA-IAGOWNOFSA-N 1 0 355.442 2.282 20 5 FEBDRO Cc1cc(N2CCC[N@@H+]([C@@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368975999 556465397 /nfs/dbraw/zinc/46/53/97/556465397.db2.gz SRXRPVHXDLTUBE-HNNXBMFYSA-N 1 0 371.441 2.253 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000369079919 556499499 /nfs/dbraw/zinc/49/94/99/556499499.db2.gz ZBUSVTFQDKQKPM-CJNGLKHVSA-N 1 0 353.444 2.104 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000369307341 556570238 /nfs/dbraw/zinc/57/02/38/556570238.db2.gz VVDMRADXACDGBW-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CN(c4ccccc4)CCO3)CC2)n1 ZINC000516191917 562034974 /nfs/dbraw/zinc/03/49/74/562034974.db2.gz ZFSJTEAHDWRBDV-GOSISDBHSA-N 1 0 371.441 2.334 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369669371 556664428 /nfs/dbraw/zinc/66/44/28/556664428.db2.gz ZOXUWLPXDLPHMH-SZMVWBNQSA-N 1 0 358.442 2.263 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000370198405 556808147 /nfs/dbraw/zinc/80/81/47/556808147.db2.gz SDELRRWILXLKEA-MRXNPFEDSA-N 1 0 371.441 2.074 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000516644942 562052386 /nfs/dbraw/zinc/05/23/86/562052386.db2.gz RPOGKXZEHKZQBJ-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938189 562066239 /nfs/dbraw/zinc/06/62/39/562066239.db2.gz UAJIPUVXMSWAKY-WMZOPIPTSA-N 1 0 360.458 2.114 20 5 FEBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000516964966 562067802 /nfs/dbraw/zinc/06/78/02/562067802.db2.gz AHMNQKDLCLNJTE-UHFFFAOYSA-N 1 0 361.345 2.452 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370930376 557020382 /nfs/dbraw/zinc/02/03/82/557020382.db2.gz ZZEGLYNTAKSRLJ-KXBFYZLASA-N 1 0 371.441 2.070 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219100 557110727 /nfs/dbraw/zinc/11/07/27/557110727.db2.gz JVCCXGCNNBQCOD-MAUKXSAKSA-N 1 0 360.458 2.001 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371245951 557118439 /nfs/dbraw/zinc/11/84/39/557118439.db2.gz ZQLRVAFIPRKTNK-GOSISDBHSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371334603 557150657 /nfs/dbraw/zinc/15/06/57/557150657.db2.gz HAYGBLFNUHERLE-RHSMWYFYSA-N 1 0 350.438 2.192 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517403956 562089092 /nfs/dbraw/zinc/08/90/92/562089092.db2.gz KFWHJADVEOKODD-ZDUSSCGKSA-N 1 0 365.455 2.190 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000517569839 562092763 /nfs/dbraw/zinc/09/27/63/562092763.db2.gz MGOUIPXISIVUGV-ZFWWWQNUSA-N 1 0 364.446 2.044 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469455 557190847 /nfs/dbraw/zinc/19/08/47/557190847.db2.gz FMDMGNPGMAGDFT-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000371647931 557250051 /nfs/dbraw/zinc/25/00/51/557250051.db2.gz VETLBCQNIMYCEI-SJLPKXTDSA-N 1 0 364.442 2.473 20 5 FEBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000518312420 562108366 /nfs/dbraw/zinc/10/83/66/562108366.db2.gz XPPMSOBUBMGULB-HUUCEWRRSA-N 1 0 364.446 2.393 20 5 FEBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000518562522 562114512 /nfs/dbraw/zinc/11/45/12/562114512.db2.gz JWKPFBOXQTXXTE-UHFFFAOYSA-N 1 0 352.410 2.103 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000518627399 562115714 /nfs/dbraw/zinc/11/57/14/562115714.db2.gz SDBNZOIMJMNRQI-UHFFFAOYSA-N 1 0 374.441 2.229 20 5 FEBDRO CC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047413 557365375 /nfs/dbraw/zinc/36/53/75/557365375.db2.gz QNIPERXCKYSECA-IEBWSBKVSA-N 1 0 362.474 2.042 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[C@@H](c3nccn3C)C2)c1 ZINC000372308834 557435583 /nfs/dbraw/zinc/43/55/83/557435583.db2.gz SUKSLXYHGRYLNB-CQSZACIVSA-N 1 0 358.398 2.422 20 5 FEBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000372333764 557443032 /nfs/dbraw/zinc/44/30/32/557443032.db2.gz PJALTZBXYPHPCW-ZFWWWQNUSA-N 1 0 371.397 2.135 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372521890 557491628 /nfs/dbraw/zinc/49/16/28/557491628.db2.gz KRYIPIPQPIAIOZ-NXHRZFHOSA-N 1 0 361.442 2.143 20 5 FEBDRO C[NH+]1CCC(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)CC1 ZINC000372529574 557494581 /nfs/dbraw/zinc/49/45/81/557494581.db2.gz RSTQAMKMFSINNV-MJGOQNOKSA-N 1 0 372.469 2.336 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000372544094 557498783 /nfs/dbraw/zinc/49/87/83/557498783.db2.gz JZABASGNSXKWGB-KBPBESRZSA-N 1 0 371.441 2.064 20 5 FEBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000372596894 557515850 /nfs/dbraw/zinc/51/58/50/557515850.db2.gz VSGUFXGRYGVMSP-MPYYAJLASA-N 1 0 351.378 2.440 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC000372770151 557559142 /nfs/dbraw/zinc/55/91/42/557559142.db2.gz RDQHZAVCBBVFSS-MRXNPFEDSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000372806135 557565916 /nfs/dbraw/zinc/56/59/16/557565916.db2.gz PHCMVAIZRJRPJE-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO COc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000519766202 562143220 /nfs/dbraw/zinc/14/32/20/562143220.db2.gz XUSZUMZSPGTPDB-GOEBONIOSA-N 1 0 358.394 2.100 20 5 FEBDRO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000373063880 557619949 /nfs/dbraw/zinc/61/99/49/557619949.db2.gz RADJLKBSQAVBJU-WMLDXEAASA-N 1 0 359.474 2.025 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000373227581 557653974 /nfs/dbraw/zinc/65/39/74/557653974.db2.gz GGTGORYSYMLQLH-KRWDZBQOSA-N 1 0 374.441 2.485 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000520336318 562153801 /nfs/dbraw/zinc/15/38/01/562153801.db2.gz XWGJDTBEFFJLFG-OAHLLOKOSA-N 1 0 351.403 2.120 20 5 FEBDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581222 557722251 /nfs/dbraw/zinc/72/22/51/557722251.db2.gz DVBRGBZVKHTSIF-WMZOPIPTSA-N 1 0 374.441 2.485 20 5 FEBDRO O=C1O[C@H](C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586507 557723725 /nfs/dbraw/zinc/72/37/25/557723725.db2.gz SSYIBJMPESISCM-DOTOQJQBSA-N 1 0 371.397 2.454 20 5 FEBDRO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@H+](CCn2cc([N+](=O)[O-])cn2)C3)n1 ZINC000373663085 557733504 /nfs/dbraw/zinc/73/35/04/557733504.db2.gz ODAMZBCBAIZOMP-CXAGYDPISA-N 1 0 360.418 2.351 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000373788035 557759274 /nfs/dbraw/zinc/75/92/74/557759274.db2.gz JTHBETSOCHUPDX-MRXNPFEDSA-N 1 0 362.474 2.063 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520562498 562159053 /nfs/dbraw/zinc/15/90/53/562159053.db2.gz VHVCIJDKFZWUBH-GFCCVEGCSA-N 1 0 373.837 2.052 20 5 FEBDRO O=C1[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCOCC1 ZINC000373925616 557788478 /nfs/dbraw/zinc/78/84/78/557788478.db2.gz YAEJNPPQXHTBHX-ZWKOTPCHSA-N 1 0 359.426 2.342 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000374368428 557872885 /nfs/dbraw/zinc/87/28/85/557872885.db2.gz TUQFRPOQHPGVDB-RDJZCZTQSA-N 1 0 350.415 2.083 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000374529786 557895798 /nfs/dbraw/zinc/89/57/98/557895798.db2.gz YOLGBUKMFNLTNK-XUWXXGDYSA-N 1 0 363.414 2.240 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550188 557898363 /nfs/dbraw/zinc/89/83/63/557898363.db2.gz HPRUKOJYYVAODU-OLZOCXBDSA-N 1 0 362.352 2.207 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](c2ccccc2)C1 ZINC000374767221 557928139 /nfs/dbraw/zinc/92/81/39/557928139.db2.gz NQCFJORONNKHND-CZUORRHYSA-N 1 0 358.373 2.144 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ncc[nH]1 ZINC000374854528 557941326 /nfs/dbraw/zinc/94/13/26/557941326.db2.gz GBXHTLJWVASMDP-AWEZNQCLSA-N 1 0 359.386 2.492 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCOc2ccccc2)cc1 ZINC000521227419 562172347 /nfs/dbraw/zinc/17/23/47/562172347.db2.gz KDUBULDFSOMJJX-UHFFFAOYSA-N 1 0 364.423 2.427 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000375355776 558014417 /nfs/dbraw/zinc/01/44/17/558014417.db2.gz LCBKPZACYVHOIA-UHFFFAOYSA-N 1 0 362.386 2.417 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375391344 558020063 /nfs/dbraw/zinc/02/00/63/558020063.db2.gz KYLROPCWNJRHRS-IBGZPJMESA-N 1 0 355.394 2.278 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375886025 558093725 /nfs/dbraw/zinc/09/37/25/558093725.db2.gz XSOUSHNIMSGEEB-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375968706 558107233 /nfs/dbraw/zinc/10/72/33/558107233.db2.gz NNLIWZLPTPDGJK-AWEZNQCLSA-N 1 0 357.414 2.399 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376055654 558120572 /nfs/dbraw/zinc/12/05/72/558120572.db2.gz JNRXZZZBTYSDKE-GXTWGEPZSA-N 1 0 353.444 2.202 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000376450655 558174871 /nfs/dbraw/zinc/17/48/71/558174871.db2.gz SUVCDANCQUFUPJ-VXGBXAGGSA-N 1 0 363.443 2.025 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451854 558175007 /nfs/dbraw/zinc/17/50/07/558175007.db2.gz XIRZQDCBLLTREX-RDTXWAMCSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1nc2n(c1CN1CCN(c3ccc(N)cc3[N+](=O)[O-])CC1)CCCC2 ZINC000376456872 558175735 /nfs/dbraw/zinc/17/57/35/558175735.db2.gz YNWOUVCLPQYVCT-UHFFFAOYSA-N 1 0 370.457 2.340 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717123 562182734 /nfs/dbraw/zinc/18/27/34/562182734.db2.gz OYXMNULIYYQLGP-RYUDHWBXSA-N 1 0 355.822 2.474 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000376718905 558213188 /nfs/dbraw/zinc/21/31/88/558213188.db2.gz SACXIPKLXTUKKX-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000376802356 558223419 /nfs/dbraw/zinc/22/34/19/558223419.db2.gz ANAMAOUFTWVAIE-GFCCVEGCSA-N 1 0 371.319 2.358 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377626874 558380019 /nfs/dbraw/zinc/38/00/19/558380019.db2.gz KYDQUWLEJRGYNZ-GOSISDBHSA-N 1 0 365.430 2.272 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535187 562199513 /nfs/dbraw/zinc/19/95/13/562199513.db2.gz VBLJIABGXCLCQW-OLZOCXBDSA-N 1 0 351.451 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC000377966226 558453881 /nfs/dbraw/zinc/45/38/81/558453881.db2.gz YGIGMAGOSGHSGA-UHFFFAOYSA-N 1 0 353.444 2.031 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378113297 558484257 /nfs/dbraw/zinc/48/42/57/558484257.db2.gz PQJHGYUNTRZFOK-MTCRFPMVSA-N 1 0 372.469 2.235 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378118394 558485319 /nfs/dbraw/zinc/48/53/19/558485319.db2.gz ZVZAKQKOCIXOLT-LJQANCHMSA-N 1 0 374.485 2.154 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303264 558524438 /nfs/dbraw/zinc/52/44/38/558524438.db2.gz CIPSJWACQMXROL-IAGOWNOFSA-N 1 0 371.441 2.012 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000378345118 558535020 /nfs/dbraw/zinc/53/50/20/558535020.db2.gz HFZKAGMHOFHUBI-CQSZACIVSA-N 1 0 361.446 2.227 20 5 FEBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000523863131 562220945 /nfs/dbraw/zinc/22/09/45/562220945.db2.gz OLYTZYULHUYVBW-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1C ZINC000397248399 558623826 /nfs/dbraw/zinc/62/38/26/558623826.db2.gz GCOAGFXXABOFME-IHRRRGAJSA-N 1 0 355.460 2.206 20 5 FEBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408086233 558645080 /nfs/dbraw/zinc/64/50/80/558645080.db2.gz HJFFDAILOFVIIG-HUUCEWRRSA-N 1 0 360.458 2.362 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524737077 562233521 /nfs/dbraw/zinc/23/35/21/562233521.db2.gz FPKFBPZPJNBACQ-GXTWGEPZSA-N 1 0 357.414 2.208 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cn1 ZINC000524754695 562233982 /nfs/dbraw/zinc/23/39/82/562233982.db2.gz ZKABOYCRCTWDDK-UHFFFAOYSA-N 1 0 354.410 2.289 20 5 FEBDRO COc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000525054763 562239768 /nfs/dbraw/zinc/23/97/68/562239768.db2.gz GZRYVQWGVWOAAP-CYBMUJFWSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525060819 562239996 /nfs/dbraw/zinc/23/99/96/562239996.db2.gz ZRNHCOCNUVSOOZ-CYBMUJFWSA-N 1 0 363.414 2.359 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000525385597 562246962 /nfs/dbraw/zinc/24/69/62/562246962.db2.gz CJSBUOTVBNKJHG-UONOGXRCSA-N 1 0 355.460 2.397 20 5 FEBDRO CC(C)Oc1cc(C(=O)NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000411437639 558895131 /nfs/dbraw/zinc/89/51/31/558895131.db2.gz AHQMZVJZJMXMTC-UHFFFAOYSA-N 1 0 365.430 2.224 20 5 FEBDRO COc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000525661077 562251574 /nfs/dbraw/zinc/25/15/74/562251574.db2.gz LYOMQEHXMHDYJM-UHFFFAOYSA-N 1 0 372.381 2.016 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412046984 559006389 /nfs/dbraw/zinc/00/63/89/559006389.db2.gz OIENCAHPZCKIIU-GUTXKFCHSA-N 1 0 363.414 2.025 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412076053 559010020 /nfs/dbraw/zinc/01/00/20/559010020.db2.gz JJBGLKXNNIHUEU-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO CC(C)Oc1cc(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000412109446 559014493 /nfs/dbraw/zinc/01/44/93/559014493.db2.gz KGALFCZLHWIZIW-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1F ZINC000412133898 559016250 /nfs/dbraw/zinc/01/62/50/559016250.db2.gz ZGLKDYLSPQHUGA-OLZOCXBDSA-N 1 0 365.405 2.370 20 5 FEBDRO CC[C@H](C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000413072390 559075130 /nfs/dbraw/zinc/07/51/30/559075130.db2.gz PCRNQINELGUZEZ-HUUCEWRRSA-N 1 0 365.430 2.434 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000413152947 559083558 /nfs/dbraw/zinc/08/35/58/559083558.db2.gz JNIBNHXXZVJZBC-PBHICJAKSA-N 1 0 360.389 2.424 20 5 FEBDRO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413535774 559114978 /nfs/dbraw/zinc/11/49/78/559114978.db2.gz UPNHKZMAOTWRQR-CQSZACIVSA-N 1 0 354.410 2.404 20 5 FEBDRO COC(=O)[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+](C)C1 ZINC000414484828 559168233 /nfs/dbraw/zinc/16/82/33/559168233.db2.gz HFNGJSBPLOWHDQ-OAHLLOKOSA-N 1 0 373.409 2.391 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414514686 559169725 /nfs/dbraw/zinc/16/97/25/559169725.db2.gz MDIAFRHRCDUWAM-BZPMIXESSA-N 1 0 352.387 2.050 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OCC ZINC000414751954 559184947 /nfs/dbraw/zinc/18/49/47/559184947.db2.gz BCCMWBIKIDKETJ-QWRGUYRKSA-N 1 0 352.391 2.346 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000415312245 559223198 /nfs/dbraw/zinc/22/31/98/559223198.db2.gz FUEXCEPANFHKPH-UHFFFAOYSA-N 1 0 362.430 2.264 20 5 FEBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415496289 559243304 /nfs/dbraw/zinc/24/33/04/559243304.db2.gz KKFYXFLAIKBOLS-CYBMUJFWSA-N 1 0 364.446 2.465 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC(C)(C)CCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415592250 559253553 /nfs/dbraw/zinc/25/35/53/559253553.db2.gz BQLVEMJQAPEGAM-UHFFFAOYSA-N 1 0 352.391 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415591358 559253608 /nfs/dbraw/zinc/25/36/08/559253608.db2.gz ANAVMSBYJWPKNU-WCQYABFASA-N 1 0 364.402 2.329 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000415766730 559269089 /nfs/dbraw/zinc/26/90/89/559269089.db2.gz SOVRFISMKGXOMN-CQSZACIVSA-N 1 0 362.430 2.376 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000415766729 559269229 /nfs/dbraw/zinc/26/92/29/559269229.db2.gz SOVRFISMKGXOMN-AWEZNQCLSA-N 1 0 362.430 2.376 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415954981 559284693 /nfs/dbraw/zinc/28/46/93/559284693.db2.gz HITRWJQDUKNNAP-CYBMUJFWSA-N 1 0 371.397 2.136 20 5 FEBDRO COc1ccc(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000415968694 559285831 /nfs/dbraw/zinc/28/58/31/559285831.db2.gz XYWROZSMKWTTMI-ZDUSSCGKSA-N 1 0 371.397 2.136 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416389584 559309512 /nfs/dbraw/zinc/30/95/12/559309512.db2.gz YBJYNVANHUBXIH-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417173944 559351322 /nfs/dbraw/zinc/35/13/22/559351322.db2.gz HGLSMHAJUZJOMM-UHFFFAOYSA-N 1 0 362.430 2.279 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417710216 559373632 /nfs/dbraw/zinc/37/36/32/559373632.db2.gz BVRFIQJREUXLGK-SFHVURJKSA-N 1 0 363.462 2.394 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000417724883 559374136 /nfs/dbraw/zinc/37/41/36/559374136.db2.gz ZPJOCCSKHMNXBW-CABCVRRESA-N 1 0 361.446 2.099 20 5 FEBDRO CN(C)C(=O)c1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417796202 559376756 /nfs/dbraw/zinc/37/67/56/559376756.db2.gz RUQJSHPSCLRBOP-HNNXBMFYSA-N 1 0 369.425 2.378 20 5 FEBDRO COC[C@@]1(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000417858933 559379640 /nfs/dbraw/zinc/37/96/40/559379640.db2.gz VONKGXFGHWQBIE-DYVFJYSZSA-N 1 0 350.419 2.032 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418603264 559407507 /nfs/dbraw/zinc/40/75/07/559407507.db2.gz WLUJVNGVOWTPJN-DYVFJYSZSA-N 1 0 362.430 2.146 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000419816954 559460841 /nfs/dbraw/zinc/46/08/41/559460841.db2.gz LPYRNWUSUVLCJX-UHFFFAOYSA-N 1 0 362.430 2.041 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CN)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420355583 559482768 /nfs/dbraw/zinc/48/27/68/559482768.db2.gz CBLSVKJXSMBQTE-MRXNPFEDSA-N 1 0 364.446 2.429 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420373287 559483791 /nfs/dbraw/zinc/48/37/91/559483791.db2.gz FYZBYQBHVPOBIB-KRWDZBQOSA-N 1 0 374.445 2.269 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420391303 559484970 /nfs/dbraw/zinc/48/49/70/559484970.db2.gz RXUDIGSSWQPCHE-ULFGMLNVSA-N 1 0 372.400 2.488 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420395778 559485148 /nfs/dbraw/zinc/48/51/48/559485148.db2.gz CEVXTISDIJGRRX-JSGCOSHPSA-N 1 0 370.409 2.320 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420406265 559485908 /nfs/dbraw/zinc/48/59/08/559485908.db2.gz NLHZNJWLKVPMJP-KRWDZBQOSA-N 1 0 354.410 2.488 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000420470743 559489324 /nfs/dbraw/zinc/48/93/24/559489324.db2.gz XLXBFDCLEOSFAJ-MRXNPFEDSA-N 1 0 363.439 2.444 20 5 FEBDRO C[NH+](C)C1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000420746041 559501960 /nfs/dbraw/zinc/50/19/60/559501960.db2.gz MQJJUJYWVDGBDQ-UHFFFAOYSA-N 1 0 361.851 2.399 20 5 FEBDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019013 559520038 /nfs/dbraw/zinc/52/00/38/559520038.db2.gz NAJIDJHPUPUWIS-ZIAGYGMSSA-N 1 0 365.430 2.056 20 5 FEBDRO COC1([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCOCC1 ZINC000421024550 559520501 /nfs/dbraw/zinc/52/05/01/559520501.db2.gz CGLFQEYZOZSEEP-GFCCVEGCSA-N 1 0 362.386 2.319 20 5 FEBDRO CCCN1C[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421352266 559539898 /nfs/dbraw/zinc/53/98/98/559539898.db2.gz NTDUKICUEWTCES-AWEZNQCLSA-N 1 0 371.441 2.343 20 5 FEBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000422716803 559604093 /nfs/dbraw/zinc/60/40/93/559604093.db2.gz VHZYXWBKXYLISS-NSHDSACASA-N 1 0 357.360 2.393 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000423961820 559648166 /nfs/dbraw/zinc/64/81/66/559648166.db2.gz FCHMWXKFPUXGTB-INIZCTEOSA-N 1 0 359.430 2.395 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423980156 559648869 /nfs/dbraw/zinc/64/88/69/559648869.db2.gz SCWITONGGUYWLQ-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000424012050 559650962 /nfs/dbraw/zinc/65/09/62/559650962.db2.gz OGKJVNWXEQQLHA-LSDHHAIUSA-N 1 0 359.357 2.309 20 5 FEBDRO C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424020021 559651490 /nfs/dbraw/zinc/65/14/90/559651490.db2.gz SDZYJBYJYLLEKW-NEPJUHHUSA-N 1 0 355.822 2.460 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000424056098 559652883 /nfs/dbraw/zinc/65/28/83/559652883.db2.gz BOYIKHQCABCPMQ-MDZLAQPJSA-N 1 0 351.403 2.057 20 5 FEBDRO [NH3+]C1(c2noc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)n2)CCCCC1 ZINC000424345789 559661718 /nfs/dbraw/zinc/66/17/18/559661718.db2.gz NRAPLXHWMODCRS-UHFFFAOYSA-N 1 0 355.358 2.344 20 5 FEBDRO CC[N@H+](CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427290657 559752298 /nfs/dbraw/zinc/75/22/98/559752298.db2.gz BNRUMZNSDSCQEH-UHFFFAOYSA-N 1 0 365.356 2.445 20 5 FEBDRO COc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428529638 559777366 /nfs/dbraw/zinc/77/73/66/559777366.db2.gz HOOIREVVRXPFPQ-OAHLLOKOSA-N 1 0 371.393 2.422 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429322671 559795913 /nfs/dbraw/zinc/79/59/13/559795913.db2.gz NNUAWNRDBZNWFM-LBPRGKRZSA-N 1 0 357.366 2.005 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C(C)C ZINC000429381490 559797379 /nfs/dbraw/zinc/79/73/79/559797379.db2.gz WERYBIPMEDLUDQ-HOTGVXAUSA-N 1 0 364.398 2.481 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774800 559805410 /nfs/dbraw/zinc/80/54/10/559805410.db2.gz VAQZHRJAQZAXHD-LERXQTSPSA-N 1 0 359.386 2.210 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000430960078 559831475 /nfs/dbraw/zinc/83/14/75/559831475.db2.gz GVMQTJZPASJXNY-UHFFFAOYSA-N 1 0 356.382 2.152 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431026509 559832753 /nfs/dbraw/zinc/83/27/53/559832753.db2.gz FOVVVFBGPKNDHZ-CYBMUJFWSA-N 1 0 362.430 2.006 20 5 FEBDRO O=C(CNc1ncc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCCCCC1 ZINC000431496558 559840228 /nfs/dbraw/zinc/84/02/28/559840228.db2.gz STABDYZDIYOJSH-UHFFFAOYSA-N 1 0 355.826 2.047 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000432525783 559860381 /nfs/dbraw/zinc/86/03/81/559860381.db2.gz KBUIJQKWQIUNEO-YVEFUNNKSA-N 1 0 371.441 2.184 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNc2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000432862361 559866583 /nfs/dbraw/zinc/86/65/83/559866583.db2.gz DSJPMLJFNSUOPM-LLVKDONJSA-N 1 0 373.251 2.087 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077812 559871160 /nfs/dbraw/zinc/87/11/60/559871160.db2.gz SULZRNGTHSZXGP-CABCVRRESA-N 1 0 358.402 2.418 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000433097589 559871671 /nfs/dbraw/zinc/87/16/71/559871671.db2.gz NZHWFNBNEWJZNO-LBPRGKRZSA-N 1 0 371.397 2.455 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000433371795 559878905 /nfs/dbraw/zinc/87/89/05/559878905.db2.gz FRQOLRKTBOIDON-YOEHRIQHSA-N 1 0 357.414 2.093 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433419285 559880841 /nfs/dbraw/zinc/88/08/41/559880841.db2.gz DTVOQCBKPLEODN-INIZCTEOSA-N 1 0 372.429 2.162 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000434035968 559892844 /nfs/dbraw/zinc/89/28/44/559892844.db2.gz KCZBWWLQSNCHOP-CHWSQXEVSA-N 1 0 367.450 2.061 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436316185 559939640 /nfs/dbraw/zinc/93/96/40/559939640.db2.gz RBBWUOMKGKOMMX-NSHDSACASA-N 1 0 361.368 2.447 20 5 FEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440823502 560019077 /nfs/dbraw/zinc/01/90/77/560019077.db2.gz WHDMBKYMYZAUEV-JGVFFNPUSA-N 1 0 368.242 2.273 20 5 FEBDRO O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201018 560026159 /nfs/dbraw/zinc/02/61/59/560026159.db2.gz DCJXMMFMINYOHJ-RLFYNMQTSA-N 1 0 359.426 2.449 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442554302 560052796 /nfs/dbraw/zinc/05/27/96/560052796.db2.gz UMVKJMNMBSSMKZ-CPUCHLNUSA-N 1 0 374.441 2.397 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443063243 560068619 /nfs/dbraw/zinc/06/86/19/560068619.db2.gz DBGKMJHICPRHDK-TZMCWYRMSA-N 1 0 352.387 2.146 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661149 560117813 /nfs/dbraw/zinc/11/78/13/560117813.db2.gz HBHWVASFCBWQDL-OAUYIBNBSA-N 1 0 359.430 2.155 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000444936571 560125006 /nfs/dbraw/zinc/12/50/06/560125006.db2.gz LTAZEUVSOGHIJW-BETUJISGSA-N 1 0 366.418 2.224 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447244644 560158572 /nfs/dbraw/zinc/15/85/72/560158572.db2.gz LIDHQQQGYUYHFN-QLHKPRNWSA-N 1 0 373.862 2.433 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOC[C@H]2CCOC2)n1 ZINC000447538112 560164183 /nfs/dbraw/zinc/16/41/83/560164183.db2.gz ALFLZYNKOZOBJT-OWCLPIDISA-N 1 0 352.435 2.308 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595718 560165012 /nfs/dbraw/zinc/16/50/12/560165012.db2.gz AOOKRYDVMNOOKA-FGTMMUONSA-N 1 0 350.415 2.382 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000447722673 560167918 /nfs/dbraw/zinc/16/79/18/560167918.db2.gz KKNZEUYNVDWQIQ-ZDUSSCGKSA-N 1 0 359.386 2.274 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447813861 560169953 /nfs/dbraw/zinc/16/99/53/560169953.db2.gz VCXKRKTXUVJFPN-UHFFFAOYSA-N 1 0 362.474 2.348 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447925553 560173258 /nfs/dbraw/zinc/17/32/58/560173258.db2.gz JBKIITKGWLRRBH-OAHLLOKOSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448691402 560194561 /nfs/dbraw/zinc/19/45/61/560194561.db2.gz QGNNFGIJEDGPDC-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[NH+](C)C ZINC000448973292 560209875 /nfs/dbraw/zinc/20/98/75/560209875.db2.gz ZWEYMIZYSXCINH-HNNXBMFYSA-N 1 0 359.430 2.487 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000449098747 560215857 /nfs/dbraw/zinc/21/58/57/560215857.db2.gz KOOBTSZDYPDDFW-HNNXBMFYSA-N 1 0 353.444 2.186 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449171796 560219106 /nfs/dbraw/zinc/21/91/06/560219106.db2.gz AQCBMRHXNFTIGR-LJQANCHMSA-N 1 0 354.410 2.054 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449238652 560221312 /nfs/dbraw/zinc/22/13/12/560221312.db2.gz SDTAIQCGHHYADU-IBGZPJMESA-N 1 0 355.394 2.151 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449507628 560232363 /nfs/dbraw/zinc/23/23/63/560232363.db2.gz FMOCRMWLOKGCQW-CABCVRRESA-N 1 0 350.371 2.283 20 5 FEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449757698 560239199 /nfs/dbraw/zinc/23/91/99/560239199.db2.gz YCOHDVKTPQQRAG-LBPRGKRZSA-N 1 0 356.220 2.157 20 5 FEBDRO COC(=O)Cc1ccc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000450223033 560254405 /nfs/dbraw/zinc/25/44/05/560254405.db2.gz ITHZLKPBYDQLLO-HNNXBMFYSA-N 1 0 365.430 2.079 20 5 FEBDRO COC(=O)Cc1ccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450245029 560255378 /nfs/dbraw/zinc/25/53/78/560255378.db2.gz QPQDDDUVMBXVQK-KBPBESRZSA-N 1 0 365.430 2.222 20 5 FEBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000450790324 560273342 /nfs/dbraw/zinc/27/33/42/560273342.db2.gz JWIXVJRAPGXFOW-PHIMTYICSA-N 1 0 357.208 2.027 20 5 FEBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000450883670 560276642 /nfs/dbraw/zinc/27/66/42/560276642.db2.gz XKUUSGBEZWMVQN-UHFFFAOYSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481131 560309614 /nfs/dbraw/zinc/30/96/14/560309614.db2.gz AETHAVKMGGZHAQ-WMLDXEAASA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563101 560315003 /nfs/dbraw/zinc/31/50/03/560315003.db2.gz JORYWBQPOJIWHQ-MQIPJXDCSA-N 1 0 351.403 2.287 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593916 560316504 /nfs/dbraw/zinc/31/65/04/560316504.db2.gz IUZPIZLYCQFICM-KBXCAEBGSA-N 1 0 367.446 2.421 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452108840 560351716 /nfs/dbraw/zinc/35/17/16/560351716.db2.gz WLFJWYVKEVPQTK-HNNXBMFYSA-N 1 0 355.460 2.260 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452115442 560352154 /nfs/dbraw/zinc/35/21/54/560352154.db2.gz BQPNZAGAOZRIPU-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000452581821 560368341 /nfs/dbraw/zinc/36/83/41/560368341.db2.gz UNJDLACKDMGLES-NSHDSACASA-N 1 0 353.369 2.358 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(-c3ccccn3)n[nH]2)n1 ZINC000453346389 560385552 /nfs/dbraw/zinc/38/55/52/560385552.db2.gz IAWZNEWWDNUORB-GXTWGEPZSA-N 1 0 368.401 2.245 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000454107737 560429802 /nfs/dbraw/zinc/42/98/02/560429802.db2.gz RQCAOKYDBRWYFZ-HNNXBMFYSA-N 1 0 362.430 2.037 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455145233 560471721 /nfs/dbraw/zinc/47/17/21/560471721.db2.gz RJROQZQVTAOIJP-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994611 560503889 /nfs/dbraw/zinc/50/38/89/560503889.db2.gz IABQTNGCGCMOTR-XJKSGUPXSA-N 1 0 355.398 2.207 20 5 FEBDRO CCc1ccc(C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000456897937 560536367 /nfs/dbraw/zinc/53/63/67/560536367.db2.gz KSUOZGBFCFZRSB-UHFFFAOYSA-N 1 0 362.474 2.303 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457899751 560593173 /nfs/dbraw/zinc/59/31/73/560593173.db2.gz KFMMRVGLMYQVEV-HNNXBMFYSA-N 1 0 350.419 2.228 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000457919277 560594111 /nfs/dbraw/zinc/59/41/11/560594111.db2.gz HZGQRMIKUCEHGI-CQSZACIVSA-N 1 0 350.419 2.229 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000458161524 560606139 /nfs/dbraw/zinc/60/61/39/560606139.db2.gz HFMIVZFJSTXFBX-GFCCVEGCSA-N 1 0 358.398 2.310 20 5 FEBDRO COc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000458178861 560607127 /nfs/dbraw/zinc/60/71/27/560607127.db2.gz XFKGQYNTHOTITI-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)n1 ZINC000458301859 560613970 /nfs/dbraw/zinc/61/39/70/560613970.db2.gz WHZWGLWOHQURNO-UHFFFAOYSA-N 1 0 365.365 2.143 20 5 FEBDRO CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514707 560628771 /nfs/dbraw/zinc/62/87/71/560628771.db2.gz RLIWCSKMIAYFGW-DOTOQJQBSA-N 1 0 364.446 2.192 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525339 560691992 /nfs/dbraw/zinc/69/19/92/560691992.db2.gz IJVAUDFIYSNTEP-ROUUACIJSA-N 1 0 374.441 2.036 20 5 FEBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457474 560772149 /nfs/dbraw/zinc/77/21/49/560772149.db2.gz TZHHNAZGOFPYST-JKSUJKDBSA-N 1 0 369.425 2.220 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000463741563 560822669 /nfs/dbraw/zinc/82/26/69/560822669.db2.gz LWBHUQIDBXKLOL-RDBSUJKOSA-N 1 0 355.460 2.287 20 5 FEBDRO CCOc1cc(C(=O)NC2(C[NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000466575186 560890367 /nfs/dbraw/zinc/89/03/67/560890367.db2.gz IQYOYUOBVDRWNH-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000466988793 560901039 /nfs/dbraw/zinc/90/10/39/560901039.db2.gz UKPYLCNORYOKHD-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467050086 560902341 /nfs/dbraw/zinc/90/23/41/560902341.db2.gz WQASMQDKQMHCKO-VXGBXAGGSA-N 1 0 359.473 2.070 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468356076 560927864 /nfs/dbraw/zinc/92/78/64/560927864.db2.gz DWHVPGAPCATLND-ZDUSSCGKSA-N 1 0 350.419 2.098 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000468596097 560933652 /nfs/dbraw/zinc/93/36/52/560933652.db2.gz BGBSLGGGODVYOV-KAMYIIQDSA-N 1 0 372.425 2.452 20 5 FEBDRO COC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000469770723 560964365 /nfs/dbraw/zinc/96/43/65/560964365.db2.gz XHRQELYBUOJUHR-NSHDSACASA-N 1 0 358.354 2.066 20 5 FEBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105888 560974581 /nfs/dbraw/zinc/97/45/81/560974581.db2.gz RIYNAVJCNBKPJI-ZIAGYGMSSA-N 1 0 367.421 2.455 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000470176337 560976105 /nfs/dbraw/zinc/97/61/05/560976105.db2.gz WBRMAUXOYZIZJC-SCZPIIQISA-N 1 0 367.471 2.259 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000470673092 560987117 /nfs/dbraw/zinc/98/71/17/560987117.db2.gz FGAVOXJQULAHNT-HNNXBMFYSA-N 1 0 357.414 2.383 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000470686795 560987414 /nfs/dbraw/zinc/98/74/14/560987414.db2.gz XFUTUYYTDIPRAK-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000471602497 561008324 /nfs/dbraw/zinc/00/83/24/561008324.db2.gz OOVNQKPSXZTVGQ-HOCLYGCPSA-N 1 0 356.430 2.492 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000471602498 561008335 /nfs/dbraw/zinc/00/83/35/561008335.db2.gz OOVNQKPSXZTVGQ-ZBFHGGJFSA-N 1 0 356.430 2.492 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000472559879 561029262 /nfs/dbraw/zinc/02/92/62/561029262.db2.gz HWEPMXTWSQBIKP-NEPJUHHUSA-N 1 0 366.393 2.052 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000472569795 561029536 /nfs/dbraw/zinc/02/95/36/561029536.db2.gz ZVQVWJIUIPVOJV-INIZCTEOSA-N 1 0 374.372 2.092 20 5 FEBDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472618145 561031080 /nfs/dbraw/zinc/03/10/80/561031080.db2.gz WAKBATRCIMFRIZ-SJORKVTESA-N 1 0 371.441 2.467 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2OCCO)n1 ZINC000472620037 561031301 /nfs/dbraw/zinc/03/13/01/561031301.db2.gz GXEWEVOLHTYVKI-HZPDHXFCSA-N 1 0 360.414 2.436 20 5 FEBDRO CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000472721146 561033784 /nfs/dbraw/zinc/03/37/84/561033784.db2.gz CJOMUGKTWVTVOY-UHFFFAOYSA-N 1 0 368.409 2.250 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000472956712 561038773 /nfs/dbraw/zinc/03/87/73/561038773.db2.gz SILOLXXXBVNRJY-MRXNPFEDSA-N 1 0 364.446 2.237 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000472963668 561038891 /nfs/dbraw/zinc/03/88/91/561038891.db2.gz BGAIPDPLCCFVPE-UHFFFAOYSA-N 1 0 363.414 2.329 20 5 FEBDRO C[N@@H+]1CC[C@H](Cn2nnnc2Sc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473514992 561051618 /nfs/dbraw/zinc/05/16/18/561051618.db2.gz ZMSRAMRSEPBZBB-NSHDSACASA-N 1 0 371.426 2.232 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000473949131 561061633 /nfs/dbraw/zinc/06/16/33/561061633.db2.gz ZBXUACVCJVAVLR-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985008 561062944 /nfs/dbraw/zinc/06/29/44/561062944.db2.gz RHOAOBYDKDNWFK-IUODEOHRSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1[N+](=O)[O-] ZINC000474351661 561071828 /nfs/dbraw/zinc/07/18/28/561071828.db2.gz MCBHHIMCWPLEIW-HNNXBMFYSA-N 1 0 372.377 2.240 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366095 561072293 /nfs/dbraw/zinc/07/22/93/561072293.db2.gz AKVOXOHWXTUFEM-OCCSQVGLSA-N 1 0 352.387 2.194 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000476318256 561116394 /nfs/dbraw/zinc/11/63/94/561116394.db2.gz AIARPOOBAUNRLU-HNNXBMFYSA-N 1 0 363.458 2.081 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476625215 561124729 /nfs/dbraw/zinc/12/47/29/561124729.db2.gz AYPRMKQOZYCWDV-CQSZACIVSA-N 1 0 363.462 2.445 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477065081 561135739 /nfs/dbraw/zinc/13/57/39/561135739.db2.gz KZQQBXIBVLBHDP-IBGZPJMESA-N 1 0 359.426 2.377 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000530441460 562411342 /nfs/dbraw/zinc/41/13/42/562411342.db2.gz GSTNRDQSSXLNAA-HNNXBMFYSA-N 1 0 366.414 2.177 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531189950 562437670 /nfs/dbraw/zinc/43/76/70/562437670.db2.gz DCCYBTIRQPFSPX-ZIAGYGMSSA-N 1 0 370.475 2.169 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000531318082 562441903 /nfs/dbraw/zinc/44/19/03/562441903.db2.gz HDMTXZVVSFVKJJ-KRWDZBQOSA-N 1 0 364.446 2.237 20 5 FEBDRO CC1(C)CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000532265303 562472012 /nfs/dbraw/zinc/47/20/12/562472012.db2.gz ZXIXRNNEDQMYKX-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533303124 562504416 /nfs/dbraw/zinc/50/44/16/562504416.db2.gz FQRANZXEOXJZON-CYBMUJFWSA-N 1 0 352.822 2.355 20 5 FEBDRO C[C@H]1CC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000533497197 562510832 /nfs/dbraw/zinc/51/08/32/562510832.db2.gz YNIGZNDFHJMHNL-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000535259214 562554331 /nfs/dbraw/zinc/55/43/31/562554331.db2.gz CBIZZOCRYLLONR-UHFFFAOYSA-N 1 0 367.312 2.247 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000537152514 562586634 /nfs/dbraw/zinc/58/66/34/562586634.db2.gz ZUEKBMVSPCYTEJ-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000541192131 562605499 /nfs/dbraw/zinc/60/54/99/562605499.db2.gz ALZHNBQCZRFMIB-LBPRGKRZSA-N 1 0 373.500 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000541626433 562616760 /nfs/dbraw/zinc/61/67/60/562616760.db2.gz JIPSTVWQQCNDQP-UHFFFAOYSA-N 1 0 362.474 2.457 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@H+](CC2CCC2)CC1 ZINC000549729414 562638602 /nfs/dbraw/zinc/63/86/02/562638602.db2.gz KZPKQKALGYLBPT-UHFFFAOYSA-N 1 0 357.414 2.419 20 5 FEBDRO COc1ccc(OC)c(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000550192955 562643934 /nfs/dbraw/zinc/64/39/34/562643934.db2.gz VDXYHXQZNUXFHK-OAHLLOKOSA-N 1 0 362.382 2.142 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000806624406 674383898 /nfs/dbraw/zinc/38/38/98/674383898.db2.gz NGJDPCWOKGMTHE-DLBZAZTESA-N 1 0 350.802 2.475 20 5 FEBDRO Cc1ccc(C[C@H](CO)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602632042 568001230 /nfs/dbraw/zinc/00/12/30/568001230.db2.gz UJZAFPJHDWBPJZ-GOSISDBHSA-N 1 0 370.453 2.460 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000568446476 568038760 /nfs/dbraw/zinc/03/87/60/568038760.db2.gz LIPYDYNQRBYZBH-UHFFFAOYSA-N 1 0 366.414 2.130 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000569109338 568277707 /nfs/dbraw/zinc/27/77/07/568277707.db2.gz ZKDXULBLDAFNPG-ODHXBGJQSA-N 1 0 357.414 2.419 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000569222480 568311671 /nfs/dbraw/zinc/31/16/71/568311671.db2.gz HSPURWMMWOFSQS-GOSISDBHSA-N 1 0 354.410 2.400 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000570060646 568442172 /nfs/dbraw/zinc/44/21/72/568442172.db2.gz NOMSAISMELVNIU-UHFFFAOYSA-N 1 0 367.446 2.167 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000570164825 568453779 /nfs/dbraw/zinc/45/37/79/568453779.db2.gz XQOOIOOOUDILDU-UHFFFAOYSA-N 1 0 358.442 2.166 20 5 FEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244574 568465965 /nfs/dbraw/zinc/46/59/65/568465965.db2.gz PVHYTGLHBVOAKD-KBPBESRZSA-N 1 0 367.471 2.450 20 5 FEBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000556875636 674425588 /nfs/dbraw/zinc/42/55/88/674425588.db2.gz AHNJMEDVLMQZCA-CQSZACIVSA-N 1 0 355.460 2.219 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736264021 598500687 /nfs/dbraw/zinc/50/06/87/598500687.db2.gz AZDQTIXXXVNIBD-NSHDSACASA-N 1 0 360.422 2.092 20 5 FEBDRO C[C@@H]1C[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668331 599589859 /nfs/dbraw/zinc/58/98/59/599589859.db2.gz RRSRBDHPYDHNRV-MNOVXSKESA-N 1 0 368.401 2.218 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826498604 607450913 /nfs/dbraw/zinc/45/09/13/607450913.db2.gz CHHGOTSXRVSRGH-UHFFFAOYSA-N 1 0 365.397 2.245 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000821581358 606645003 /nfs/dbraw/zinc/64/50/03/606645003.db2.gz JIBZIATUWXIUKO-HNNXBMFYSA-N 1 0 367.413 2.360 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000825866055 608380798 /nfs/dbraw/zinc/38/07/98/608380798.db2.gz QBEZCSTZUCPVSW-UHFFFAOYSA-N 1 0 367.413 2.343 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568809 608470245 /nfs/dbraw/zinc/47/02/45/608470245.db2.gz DCPNWJULRTZVKI-BZNIZROVSA-N 1 0 354.370 2.159 20 5 FEBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000814981126 674892496 /nfs/dbraw/zinc/89/24/96/674892496.db2.gz XUGLNRIVEBGSDQ-UHFFFAOYSA-N 1 0 365.814 2.152 20 5 FEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022565 674899786 /nfs/dbraw/zinc/89/97/86/674899786.db2.gz RNXRGTHLSCOWOX-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001048814447 675015445 /nfs/dbraw/zinc/01/54/45/675015445.db2.gz LRWFIMOFSHTCQJ-FAXLKDOZSA-N 1 0 367.808 2.035 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000564857714 675069239 /nfs/dbraw/zinc/06/92/39/675069239.db2.gz XFGILFOXQZLVCO-UHFFFAOYSA-N 1 0 368.386 2.176 20 5 FEBDRO Cc1c(C(=O)NCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000054779574 670341077 /nfs/dbraw/zinc/34/10/77/670341077.db2.gz VBLVVEDQHDJBRF-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000057703511 670370765 /nfs/dbraw/zinc/37/07/65/670370765.db2.gz ZUQFGCFQEXXMQZ-SECBINFHSA-N 1 0 350.375 2.332 20 5 FEBDRO C[NH+](C)CCN1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000075985232 670539288 /nfs/dbraw/zinc/53/92/88/670539288.db2.gz XBTSLBKJWFERBA-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO Cc1c(C(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000076250138 670545799 /nfs/dbraw/zinc/54/57/99/670545799.db2.gz FDHKJHYFCDXKRN-UHFFFAOYSA-N 1 0 350.375 2.417 20 5 FEBDRO COc1ncc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000565417362 675119778 /nfs/dbraw/zinc/11/97/78/675119778.db2.gz ROWLLVVLJPNAJN-GFCCVEGCSA-N 1 0 367.789 2.181 20 5 FEBDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000565598360 675135580 /nfs/dbraw/zinc/13/55/80/675135580.db2.gz WOFVPZXFVIGGHZ-SWLSCSKDSA-N 1 0 362.407 2.480 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401823 670997724 /nfs/dbraw/zinc/99/77/24/670997724.db2.gz JQZUQZCVDGNREO-KBPBESRZSA-N 1 0 367.471 2.450 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(F)c1N1CCOCC1 ZINC000572617131 671024636 /nfs/dbraw/zinc/02/46/36/671024636.db2.gz SRYZMIVRXYPLLB-UHFFFAOYSA-N 1 0 352.410 2.468 20 5 FEBDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573041433 671074175 /nfs/dbraw/zinc/07/41/75/671074175.db2.gz MWIMHSSCBFRBDB-AWEZNQCLSA-N 1 0 369.487 2.477 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000573682196 671151216 /nfs/dbraw/zinc/15/12/16/671151216.db2.gz RMSQPXIGIKIXCV-UHFFFAOYSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000817863806 675183677 /nfs/dbraw/zinc/18/36/77/675183677.db2.gz RBDYQIYQLNENNU-WCQGTBRESA-N 1 0 359.423 2.036 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818019254 675191158 /nfs/dbraw/zinc/19/11/58/675191158.db2.gz QSWGPGOIDNVREH-CQSZACIVSA-N 1 0 354.204 2.325 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c([N+](=O)[O-])cc1F ZINC000575775173 671320008 /nfs/dbraw/zinc/32/00/08/671320008.db2.gz CBCZQOCEGDGCAY-IRXDYDNUSA-N 1 0 354.378 2.152 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000577113716 671417721 /nfs/dbraw/zinc/41/77/21/671417721.db2.gz ZLFIPANTKQYEBM-GFCCVEGCSA-N 1 0 351.403 2.232 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386335 675920942 /nfs/dbraw/zinc/92/09/42/675920942.db2.gz PNKDTABRBGHJCO-CYBMUJFWSA-N 1 0 350.419 2.004 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000578009291 671634223 /nfs/dbraw/zinc/63/42/23/671634223.db2.gz NWDMYPIZXWJZKB-HUUCEWRRSA-N 1 0 353.444 2.062 20 5 FEBDRO CC(C)(C)NS(=O)(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000578346273 671658606 /nfs/dbraw/zinc/65/86/06/671658606.db2.gz IXCBJUSBDAFOBP-HNNXBMFYSA-N 1 0 355.460 2.280 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609731867 675934583 /nfs/dbraw/zinc/93/45/83/675934583.db2.gz NNJXKXFUBVLFFN-GFCCVEGCSA-N 1 0 355.822 2.427 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)cc2)cc1 ZINC000580490955 671812068 /nfs/dbraw/zinc/81/20/68/671812068.db2.gz AZJFJSNOQZJSTD-UHFFFAOYSA-N 1 0 352.387 2.340 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000581070785 671860826 /nfs/dbraw/zinc/86/08/26/671860826.db2.gz BYISJLJOEDIRPK-NSHDSACASA-N 1 0 353.806 2.076 20 5 FEBDRO CC[C@H](CSc1ccccc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581127472 671866402 /nfs/dbraw/zinc/86/64/02/671866402.db2.gz VDZKGSKHEGCWPG-HIFRSBDPSA-N 1 0 350.444 2.313 20 5 FEBDRO COC[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582032164 671960893 /nfs/dbraw/zinc/96/08/93/671960893.db2.gz UYMSVBLGFQLXKK-MRVPVSSYSA-N 1 0 350.156 2.324 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000129519467 672062918 /nfs/dbraw/zinc/06/29/18/672062918.db2.gz RRHKKSQNYNGTPL-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639242 672124960 /nfs/dbraw/zinc/12/49/60/672124960.db2.gz AIXAUCRMMOSJGJ-CHWSQXEVSA-N 1 0 353.423 2.169 20 5 FEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000584782536 672215658 /nfs/dbraw/zinc/21/56/58/672215658.db2.gz PEUOHMNTTTXNMX-PSASIEDQSA-N 1 0 367.349 2.032 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000163861547 672311147 /nfs/dbraw/zinc/31/11/47/672311147.db2.gz LHMSJGMOPSSUJX-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000589938571 672549357 /nfs/dbraw/zinc/54/93/57/672549357.db2.gz WBKKPXJNSFLAOY-NOZJJQNGSA-N 1 0 350.293 2.245 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565744 672590436 /nfs/dbraw/zinc/59/04/36/672590436.db2.gz QERHDCXAAKDZRW-CVEARBPZSA-N 1 0 367.833 2.112 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000591065955 672647073 /nfs/dbraw/zinc/64/70/73/672647073.db2.gz ZUTTYYFXAAIXBD-MRXNPFEDSA-N 1 0 363.483 2.471 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000591297630 672666633 /nfs/dbraw/zinc/66/66/33/672666633.db2.gz NJDCWGIMEXLERK-UFBFGSQYSA-N 1 0 362.308 2.194 20 5 FEBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591983408 672728918 /nfs/dbraw/zinc/72/89/18/672728918.db2.gz XRGNUBICVNAKKT-SNVBAGLBSA-N 1 0 360.336 2.170 20 5 FEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194343209 672757026 /nfs/dbraw/zinc/75/70/26/672757026.db2.gz VFVWVQVVOOEPGU-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000592136703 672762819 /nfs/dbraw/zinc/76/28/19/672762819.db2.gz DHVPLIFIHPPNAC-KRWDZBQOSA-N 1 0 365.455 2.440 20 5 FEBDRO C[C@@H]1CC2(CN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592185387 672768610 /nfs/dbraw/zinc/76/86/10/672768610.db2.gz YKECFDVBNGZCEA-CQSZACIVSA-N 1 0 368.455 2.260 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000592255928 672777969 /nfs/dbraw/zinc/77/79/69/672777969.db2.gz UVHGDXQAKOTJMJ-NEPJUHHUSA-N 1 0 350.394 2.168 20 5 FEBDRO [NH3+]C1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000592366697 672792597 /nfs/dbraw/zinc/79/25/97/672792597.db2.gz HOHWAGIOXLYFAQ-UHFFFAOYSA-N 1 0 367.349 2.162 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592549092 672813714 /nfs/dbraw/zinc/81/37/14/672813714.db2.gz RJLNEFSAUNOUNK-USWWRNFRSA-N 1 0 359.785 2.174 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592898593 672852495 /nfs/dbraw/zinc/85/24/95/672852495.db2.gz IWPSAFVDECBOCJ-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO COCC[N@@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593099702 672876158 /nfs/dbraw/zinc/87/61/58/672876158.db2.gz BHWACQXZFKJDMR-UHFFFAOYSA-N 1 0 355.410 2.285 20 5 FEBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(C)C ZINC000593563667 672944635 /nfs/dbraw/zinc/94/46/35/672944635.db2.gz QUWJVBFKZFPDJF-CQSZACIVSA-N 1 0 358.464 2.025 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000593731161 672984389 /nfs/dbraw/zinc/98/43/89/672984389.db2.gz AJIQJGOBYJYURA-TZMCWYRMSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593731190 672984469 /nfs/dbraw/zinc/98/44/69/672984469.db2.gz BCQMBPHXEQBGDU-BXUZGUMPSA-N 1 0 355.460 2.350 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594575970 673101315 /nfs/dbraw/zinc/10/13/15/673101315.db2.gz WFOVOCSPELVYQO-GJZGRUSLSA-N 1 0 350.415 2.416 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594800367 673147374 /nfs/dbraw/zinc/14/73/74/673147374.db2.gz DFRJHFRDSZETBE-CYBMUJFWSA-N 1 0 355.460 2.308 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594800557 673147591 /nfs/dbraw/zinc/14/75/91/673147591.db2.gz GVAWDWMAOIPXBP-SNVBAGLBSA-N 1 0 361.851 2.399 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595006182 673185695 /nfs/dbraw/zinc/18/56/95/673185695.db2.gz GJCZCVJVEMGALV-LBPRGKRZSA-N 1 0 371.459 2.068 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1F ZINC000595261108 673214898 /nfs/dbraw/zinc/21/48/98/673214898.db2.gz RGPBNOFNUOXZOB-VXGBXAGGSA-N 1 0 350.375 2.230 20 5 FEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000462534356 673259796 /nfs/dbraw/zinc/25/97/96/673259796.db2.gz KPZQXOBRPJALNO-CYBMUJFWSA-N 1 0 350.419 2.096 20 5 FEBDRO CCOC(=O)c1cc(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596085004 673357060 /nfs/dbraw/zinc/35/70/60/673357060.db2.gz FYICNTJUWLOIJC-UHFFFAOYSA-N 1 0 351.403 2.030 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000732568060 673372420 /nfs/dbraw/zinc/37/24/20/673372420.db2.gz HQPGGIMEZDZYRF-GFCCVEGCSA-N 1 0 352.391 2.446 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596307671 673376198 /nfs/dbraw/zinc/37/61/98/673376198.db2.gz NYTINZGWNWMGFL-GFCCVEGCSA-N 1 0 370.475 2.035 20 5 FEBDRO Cc1ccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000596627456 673398649 /nfs/dbraw/zinc/39/86/49/673398649.db2.gz YZWIUTKLCCEOFQ-AWEZNQCLSA-N 1 0 351.451 2.297 20 5 FEBDRO C[C@@H](CC1CCCC1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537969604 673415793 /nfs/dbraw/zinc/41/57/93/673415793.db2.gz HHULMWBQHMDZMA-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO C[C@@H](O)C1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000597234431 673458923 /nfs/dbraw/zinc/45/89/23/673458923.db2.gz LISRJUPHSQCECS-MRVPVSSYSA-N 1 0 362.167 2.202 20 5 FEBDRO CS[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000539479475 673492363 /nfs/dbraw/zinc/49/23/63/673492363.db2.gz ICFPMYUMJXLIIC-VBNZEHGJSA-N 1 0 366.487 2.208 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000539727919 673503009 /nfs/dbraw/zinc/50/30/09/673503009.db2.gz DBWMQNZAGGIDCE-SJLPKXTDSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000735983638 673510372 /nfs/dbraw/zinc/51/03/72/673510372.db2.gz VGVZDSIIOSLLSE-CYBMUJFWSA-N 1 0 364.471 2.382 20 5 FEBDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540144802 673525700 /nfs/dbraw/zinc/52/57/00/673525700.db2.gz PSMOLNPZGMAKNA-HOTGVXAUSA-N 1 0 355.460 2.287 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000598544220 673580962 /nfs/dbraw/zinc/58/09/62/673580962.db2.gz PXLGSTIMYDFCBL-ZDUSSCGKSA-N 1 0 367.471 2.500 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000598998392 673627409 /nfs/dbraw/zinc/62/74/09/673627409.db2.gz GNWOUMLRVJNDSW-QLQJRFMMSA-N 1 0 352.387 2.048 20 5 FEBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127965 673635248 /nfs/dbraw/zinc/63/52/48/673635248.db2.gz SHDWXXNQZQHGOS-AWEZNQCLSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599415216 673672814 /nfs/dbraw/zinc/67/28/14/673672814.db2.gz LKGCFYKIWFYLOL-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO CCOc1cc(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OCC ZINC000599600330 673696118 /nfs/dbraw/zinc/69/61/18/673696118.db2.gz QJEPVABVXXHTPZ-WDEREUQCSA-N 1 0 352.391 2.264 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000600743393 673795936 /nfs/dbraw/zinc/79/59/36/673795936.db2.gz LZEHJMQYLVGNNB-IYBDPMFKSA-N 1 0 352.822 2.118 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601340966 673845152 /nfs/dbraw/zinc/84/51/52/673845152.db2.gz ZRRINPLOCZMRJW-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c([N+](=O)[O-])s1 ZINC000601367412 673849456 /nfs/dbraw/zinc/84/94/56/673849456.db2.gz QVZAAXYKVDZVMK-UHFFFAOYSA-N 1 0 354.413 2.005 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601374106 673850849 /nfs/dbraw/zinc/85/08/49/673850849.db2.gz ALDZRYBPFOUKAD-VXGBXAGGSA-N 1 0 359.473 2.070 20 5 FEBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000601376956 673851548 /nfs/dbraw/zinc/85/15/48/673851548.db2.gz XFFHUAIKZNFLPV-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601433679 673861544 /nfs/dbraw/zinc/86/15/44/673861544.db2.gz HXPLOIFWOYLTIX-GFCCVEGCSA-N 1 0 359.423 2.146 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000602492854 673907116 /nfs/dbraw/zinc/90/71/16/673907116.db2.gz YYMBJBMTADFRHB-KOLCDFICSA-N 1 0 354.204 2.181 20 5 FEBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602529664 673907292 /nfs/dbraw/zinc/90/72/92/673907292.db2.gz QQEFHUGHRUPDLM-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO C[NH2+]CCOCCN(C)C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602544200 673907643 /nfs/dbraw/zinc/90/76/43/673907643.db2.gz FQPWQDHZYWLWNE-UHFFFAOYSA-N 1 0 364.427 2.026 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1Br ZINC000602690476 673909501 /nfs/dbraw/zinc/90/95/01/673909501.db2.gz NNEWGHGBRSCWBO-KWQFWETISA-N 1 0 365.249 2.296 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000566343660 675206747 /nfs/dbraw/zinc/20/67/47/675206747.db2.gz XVLKSIKTNUWTSN-GFCCVEGCSA-N 1 0 365.821 2.057 20 5 FEBDRO CCN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000819007348 675252088 /nfs/dbraw/zinc/25/20/88/675252088.db2.gz WKNYFHNEMJSVSQ-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000819190916 675268296 /nfs/dbraw/zinc/26/82/96/675268296.db2.gz LVBBDBULCLGDIV-QGZVFWFLSA-N 1 0 353.419 2.003 20 5 FEBDRO CCN1CCc2nc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000823996368 675579008 /nfs/dbraw/zinc/57/90/08/675579008.db2.gz AWHXDQQQLMGWAD-CQSZACIVSA-N 1 0 362.411 2.101 20 5 FEBDRO Cc1c(C(=O)N[C@H](C[NH+](C)C)C(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000827532468 675762934 /nfs/dbraw/zinc/76/29/34/675762934.db2.gz MJYNIGHZPRZZHL-CYBMUJFWSA-N 1 0 352.391 2.436 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000603854358 675801612 /nfs/dbraw/zinc/80/16/12/675801612.db2.gz WKCPFXAYODNAGO-CHWSQXEVSA-N 1 0 370.475 2.178 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000828550157 675829765 /nfs/dbraw/zinc/82/97/65/675829765.db2.gz LCCONUSSIYCQDO-UHFFFAOYSA-N 1 0 366.805 2.198 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000829352620 675876818 /nfs/dbraw/zinc/87/68/18/675876818.db2.gz VUOCHFABPAORNZ-GFCCVEGCSA-N 1 0 352.822 2.039 20 5 FEBDRO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000616132260 676240424 /nfs/dbraw/zinc/24/04/24/676240424.db2.gz LJCCSLRRQITKTN-CQSZACIVSA-N 1 0 352.387 2.005 20 5 FEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000830023049 677022142 /nfs/dbraw/zinc/02/21/42/677022142.db2.gz NFGNOGCUIIIGAW-HOCLYGCPSA-N 1 0 367.446 2.363 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000762621553 680756098 /nfs/dbraw/zinc/75/60/98/680756098.db2.gz LVSIRXCGDBQITE-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839535510 680760093 /nfs/dbraw/zinc/76/00/93/680760093.db2.gz IKSYYHARSHBPLH-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839571795 680762900 /nfs/dbraw/zinc/76/29/00/680762900.db2.gz UEGQDXAOYOPWMK-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839592261 680764405 /nfs/dbraw/zinc/76/44/05/680764405.db2.gz PYZJKMCRZCTBRQ-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839663080 680769962 /nfs/dbraw/zinc/76/99/62/680769962.db2.gz BZOYAQMGZYGMOR-GDBMZVCRSA-N 1 0 351.834 2.333 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000840228265 680809007 /nfs/dbraw/zinc/80/90/07/680809007.db2.gz OALQHIHBLLRJRH-AWEZNQCLSA-N 1 0 350.371 2.204 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849852 680857401 /nfs/dbraw/zinc/85/74/01/680857401.db2.gz RSNPDAHEMAPVQM-SJKOYZFVSA-N 1 0 364.423 2.383 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748843919 679999932 /nfs/dbraw/zinc/99/99/32/679999932.db2.gz IVUXQHGQIADNGA-GFCCVEGCSA-N 1 0 350.375 2.272 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748839478 680000077 /nfs/dbraw/zinc/00/00/77/680000077.db2.gz YUBSZZGYKGGCHA-AWEZNQCLSA-N 1 0 350.375 2.190 20 5 FEBDRO CCO[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831695485 680026600 /nfs/dbraw/zinc/02/66/00/680026600.db2.gz MJQOTSQMSKFOIX-GFCCVEGCSA-N 1 0 357.838 2.264 20 5 FEBDRO Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)s1 ZINC000981764111 680250588 /nfs/dbraw/zinc/25/05/88/680250588.db2.gz NDASKFDTPUHBFJ-HZPDHXFCSA-N 1 0 363.483 2.455 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC12CCOCC2 ZINC000834854091 680277588 /nfs/dbraw/zinc/27/75/88/680277588.db2.gz OVVJGFHQQUVWAS-NSHDSACASA-N 1 0 353.806 2.076 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC12CCOCC2 ZINC000834854090 680277663 /nfs/dbraw/zinc/27/76/63/680277663.db2.gz OVVJGFHQQUVWAS-LLVKDONJSA-N 1 0 353.806 2.076 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)CCC2 ZINC000834889087 680280095 /nfs/dbraw/zinc/28/00/95/680280095.db2.gz FYOBPUXMQUPKIY-QGZVFWFLSA-N 1 0 368.455 2.156 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)CCC2 ZINC000834889084 680280200 /nfs/dbraw/zinc/28/02/00/680280200.db2.gz FYOBPUXMQUPKIY-KRWDZBQOSA-N 1 0 368.455 2.156 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000836791575 680514515 /nfs/dbraw/zinc/51/45/15/680514515.db2.gz VQOKMEGCRVCBDG-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000841176682 680867543 /nfs/dbraw/zinc/86/75/43/680867543.db2.gz MXZCLVXNRBDQHC-CYBMUJFWSA-N 1 0 368.821 2.211 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000842726965 680962419 /nfs/dbraw/zinc/96/24/19/680962419.db2.gz SDUNDBBBQFHJTH-QWRGUYRKSA-N 1 0 361.851 2.305 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)c1 ZINC000843115192 680988650 /nfs/dbraw/zinc/98/86/50/680988650.db2.gz RPRKXHMZIWKUHV-SJKOYZFVSA-N 1 0 365.817 2.117 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000843856853 681022467 /nfs/dbraw/zinc/02/24/67/681022467.db2.gz LTNJINPWEXJXGJ-ZDUSSCGKSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000843903492 681024899 /nfs/dbraw/zinc/02/48/99/681024899.db2.gz LZAZDDKDJVHVDO-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000843990484 681029743 /nfs/dbraw/zinc/02/97/43/681029743.db2.gz UHZABODSMQXBCM-CYBMUJFWSA-N 1 0 350.375 2.368 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1F ZINC000771743835 681067607 /nfs/dbraw/zinc/06/76/07/681067607.db2.gz RZSNYKUHXKGICI-CYBMUJFWSA-N 1 0 373.450 2.441 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000775820570 681339347 /nfs/dbraw/zinc/33/93/47/681339347.db2.gz WCFVYCWAVSRTJJ-KGLIPLIRSA-N 1 0 351.403 2.430 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000776274334 681378379 /nfs/dbraw/zinc/37/83/79/681378379.db2.gz GXNOGRBEBNOURY-VBQJREDUSA-N 1 0 351.447 2.106 20 5 FEBDRO CCC[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000776595870 681413172 /nfs/dbraw/zinc/41/31/72/681413172.db2.gz BSWDXXPRUQOQHE-MSOLQXFVSA-N 1 0 351.447 2.061 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000848024267 681463571 /nfs/dbraw/zinc/46/35/71/681463571.db2.gz GFGCQKSZWNVJBF-GFCCVEGCSA-N 1 0 357.838 2.379 20 5 FEBDRO CSCCCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934042837 681500178 /nfs/dbraw/zinc/50/01/78/681500178.db2.gz YEFRETSONBREOY-UHFFFAOYSA-N 1 0 367.475 2.221 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934722921 681615924 /nfs/dbraw/zinc/61/59/24/681615924.db2.gz DPXOOKCNPHUOMM-CQSZACIVSA-N 1 0 365.455 2.300 20 5 FEBDRO COC[C@H](C)NC(=[NH2+])NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000849055808 681648577 /nfs/dbraw/zinc/64/85/77/681648577.db2.gz HRXFCTNVMUHBRO-VIFPVBQESA-N 1 0 363.340 2.174 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920520 685466800 /nfs/dbraw/zinc/46/68/00/685466800.db2.gz XKJYQWZIPRVYMZ-YPMHNXCESA-N 1 0 353.806 2.322 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912920517 685466808 /nfs/dbraw/zinc/46/68/08/685466808.db2.gz XKJYQWZIPRVYMZ-AAEUAGOBSA-N 1 0 353.806 2.322 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000935112875 681690634 /nfs/dbraw/zinc/69/06/34/681690634.db2.gz JJIZXPZCIIRSNF-GXTWGEPZSA-N 1 0 355.485 2.434 20 5 FEBDRO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000850607059 681925348 /nfs/dbraw/zinc/92/53/48/681925348.db2.gz OXPCHRBLQCEKFE-NSHDSACASA-N 1 0 368.821 2.129 20 5 FEBDRO C[NH+](C)C1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCC1 ZINC000782391414 682036942 /nfs/dbraw/zinc/03/69/42/682036942.db2.gz JCMDYRXRKSBCNB-UHFFFAOYSA-N 1 0 363.386 2.487 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000915227336 685513422 /nfs/dbraw/zinc/51/34/22/685513422.db2.gz SFCYKFMYODJPRM-RDJZCZTQSA-N 1 0 366.801 2.311 20 5 FEBDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000786126377 682352087 /nfs/dbraw/zinc/35/20/87/682352087.db2.gz OFRJFDGUYXLAAR-UHFFFAOYSA-N 1 0 369.468 2.239 20 5 FEBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000853131589 682380387 /nfs/dbraw/zinc/38/03/87/682380387.db2.gz RCSSCDDDZRFOIP-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788651782 682546989 /nfs/dbraw/zinc/54/69/89/682546989.db2.gz LYYTZYMLSKPLPS-LLVKDONJSA-N 1 0 364.427 2.399 20 5 FEBDRO CC(C)[C@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000789801111 682632097 /nfs/dbraw/zinc/63/20/97/682632097.db2.gz CKPHUAFGMCBPQS-CQSZACIVSA-N 1 0 371.821 2.107 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000791763118 682764795 /nfs/dbraw/zinc/76/47/95/682764795.db2.gz DYRPERLWVGCQRC-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856416839 682778824 /nfs/dbraw/zinc/77/88/24/682778824.db2.gz YBJLVKJYZFYYEZ-UHFFFAOYSA-N 1 0 350.394 2.168 20 5 FEBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000857008189 682843009 /nfs/dbraw/zinc/84/30/09/682843009.db2.gz DDGRYDPTGRVXCZ-CLAHSXSESA-N 1 0 372.194 2.450 20 5 FEBDRO O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857765525 682910683 /nfs/dbraw/zinc/91/06/83/682910683.db2.gz BTWASATZDXGTBN-TXEJJXNPSA-N 1 0 355.341 2.024 20 5 FEBDRO Cc1c(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)cc(Br)cc1[N+](=O)[O-] ZINC000926109182 683077850 /nfs/dbraw/zinc/07/78/50/683077850.db2.gz JCPIMMDRAMCRKT-RDDDGLTNSA-N 1 0 357.208 2.395 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795698277 683081973 /nfs/dbraw/zinc/08/19/73/683081973.db2.gz DCNJFCVMEBXTER-QWRGUYRKSA-N 1 0 358.240 2.070 20 5 FEBDRO Cc1sc(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181748 683090068 /nfs/dbraw/zinc/09/00/68/683090068.db2.gz CPOLKCRINCOWQR-JSHWQEIDSA-N 1 0 367.471 2.174 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926493203 683132443 /nfs/dbraw/zinc/13/24/43/683132443.db2.gz PCIZBCSZYXBJJF-STQMWFEESA-N 1 0 355.460 2.306 20 5 FEBDRO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796571714 683173017 /nfs/dbraw/zinc/17/30/17/683173017.db2.gz WHYHQHPTPXXPMB-AWEZNQCLSA-N 1 0 353.423 2.124 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000919654370 683289858 /nfs/dbraw/zinc/28/98/58/683289858.db2.gz JFJHESPSJPPSMF-ZDUSSCGKSA-N 1 0 350.419 2.277 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928092982 683381408 /nfs/dbraw/zinc/38/14/08/683381408.db2.gz JKIZQOMPYCIGEF-CABCVRRESA-N 1 0 369.874 2.487 20 5 FEBDRO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000861351008 683395528 /nfs/dbraw/zinc/39/55/28/683395528.db2.gz BCXCGOFIRHFFMO-QLJPJBMISA-N 1 0 356.350 2.009 20 5 FEBDRO CCO[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000921336519 683429999 /nfs/dbraw/zinc/42/99/99/683429999.db2.gz OUTJTJPPNXPWGE-ZFWWWQNUSA-N 1 0 352.435 2.230 20 5 FEBDRO Cn1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000862367154 683578007 /nfs/dbraw/zinc/57/80/07/683578007.db2.gz XQIGLURPPQXSMK-UHFFFAOYSA-N 1 0 354.208 2.056 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930158923 683687002 /nfs/dbraw/zinc/68/70/02/683687002.db2.gz ARJUQYNBMBFDFL-GJZGRUSLSA-N 1 0 368.821 2.311 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000930158930 683687148 /nfs/dbraw/zinc/68/71/48/683687148.db2.gz ARJUQYNBMBFDFL-LSDHHAIUSA-N 1 0 368.821 2.311 20 5 FEBDRO COc1ccc(C[NH2+]CCc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000922677047 683765477 /nfs/dbraw/zinc/76/54/77/683765477.db2.gz MATUDYQOYXEZOG-UHFFFAOYSA-N 1 0 364.423 2.339 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930883804 683796693 /nfs/dbraw/zinc/79/66/93/683796693.db2.gz IRCKPVROOLFUET-OCCSQVGLSA-N 1 0 366.443 2.305 20 5 FEBDRO CC(C)(Cn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1)[N+](=O)[O-] ZINC000864641998 683876153 /nfs/dbraw/zinc/87/61/53/683876153.db2.gz GFLVCUAZSBHOPH-GFCCVEGCSA-N 1 0 354.208 2.144 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865008361 683921962 /nfs/dbraw/zinc/92/19/62/683921962.db2.gz YVWXFKXAOIMDQB-NSHDSACASA-N 1 0 368.231 2.253 20 5 FEBDRO C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183358 683947019 /nfs/dbraw/zinc/94/70/19/683947019.db2.gz DBGXWMQYNFQIQU-NSHDSACASA-N 1 0 356.220 2.110 20 5 FEBDRO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(C)OCCO1 ZINC000865674222 684012970 /nfs/dbraw/zinc/01/29/70/684012970.db2.gz IZBBUKRDKNZYOP-GFCCVEGCSA-N 1 0 352.387 2.245 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000866863713 684170584 /nfs/dbraw/zinc/17/05/84/684170584.db2.gz SIMXRRRMPOHUHI-NEPJUHHUSA-N 1 0 359.423 2.146 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1F ZINC000866866345 684170794 /nfs/dbraw/zinc/17/07/94/684170794.db2.gz NHYPETRKJCPWPK-YPMHNXCESA-N 1 0 359.423 2.003 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434301 684282767 /nfs/dbraw/zinc/28/27/67/684282767.db2.gz PGSSNJMNWVBXCS-RWMBFGLXSA-N 1 0 366.849 2.459 20 5 FEBDRO C[NH+]1CCC(OCC(=O)OCCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000923785948 684349825 /nfs/dbraw/zinc/34/98/25/684349825.db2.gz OBVJNOMKPSSCOH-UHFFFAOYSA-N 1 0 352.387 2.018 20 5 FEBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000867742941 684370182 /nfs/dbraw/zinc/37/01/82/684370182.db2.gz BORSXRPTSFCYQJ-UHFFFAOYSA-N 1 0 369.487 2.320 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925137595 684527274 /nfs/dbraw/zinc/52/72/74/684527274.db2.gz DCWCZSKQCUGCSN-OCCSQVGLSA-N 1 0 366.443 2.305 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000872091447 684918931 /nfs/dbraw/zinc/91/89/31/684918931.db2.gz HQSKASZDUCSSGK-ZBEGNZNMSA-N 1 0 367.427 2.189 20 5 FEBDRO CC(C)(C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000877364182 686364689 /nfs/dbraw/zinc/36/46/89/686364689.db2.gz LDMIMMUYQPFWRA-GWCFXTLKSA-N 1 0 359.348 2.468 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877370139 686367582 /nfs/dbraw/zinc/36/75/82/686367582.db2.gz RCFZVXSFFLDLJU-MNOVXSKESA-N 1 0 361.320 2.203 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000881936267 687265521 /nfs/dbraw/zinc/26/55/21/687265521.db2.gz ZFKSJGJXMIXVBJ-WDEREUQCSA-N 1 0 361.851 2.318 20 5 FEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882431982 687366145 /nfs/dbraw/zinc/36/61/45/687366145.db2.gz KTCLVMBCMQOVTP-YPMHNXCESA-N 1 0 361.489 2.397 20 5 FEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883205497 687587682 /nfs/dbraw/zinc/58/76/82/687587682.db2.gz XXGCBDGYXHYFJH-LBPRGKRZSA-N 1 0 371.235 2.251 20 5 FEBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883374676 687618084 /nfs/dbraw/zinc/61/80/84/687618084.db2.gz LPABJOZZTKZDFW-TUUVXOQKSA-N 1 0 352.456 2.471 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884958811 687975712 /nfs/dbraw/zinc/97/57/12/687975712.db2.gz DXGVFBAERVJNJD-VXGBXAGGSA-N 1 0 373.862 2.462 20 5 FEBDRO CO[C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886062666 688198921 /nfs/dbraw/zinc/19/89/21/688198921.db2.gz UHSBXGFGMKUBBA-ZFWWWQNUSA-N 1 0 356.444 2.306 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000886900712 688337108 /nfs/dbraw/zinc/33/71/08/688337108.db2.gz FTXQGLMUAZNWOE-KRWDZBQOSA-N 1 0 367.471 2.366 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000886901419 688337411 /nfs/dbraw/zinc/33/74/11/688337411.db2.gz ZJTBWTODAYRBQA-MRXNPFEDSA-N 1 0 371.434 2.197 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000888283671 688577183 /nfs/dbraw/zinc/57/71/83/688577183.db2.gz XBCIDGBZOSAYHZ-VXGBXAGGSA-N 1 0 370.837 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCCO)CC2)cc1OC(F)F ZINC000894964486 689630898 /nfs/dbraw/zinc/63/08/98/689630898.db2.gz RUTQAYMWHQQBOA-UHFFFAOYSA-N 1 0 359.373 2.481 20 5 FEBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895797658 689772943 /nfs/dbraw/zinc/77/29/43/689772943.db2.gz NNJSHMJACCAGEY-VDERGJSUSA-N 1 0 352.456 2.329 20 5 FEBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000898480656 690189537 /nfs/dbraw/zinc/18/95/37/690189537.db2.gz BIJVAPRWMBAWED-YPMHNXCESA-N 1 0 350.371 2.187 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900373595 690508816 /nfs/dbraw/zinc/50/88/16/690508816.db2.gz FYMSJMPOJPMRLL-UHFFFAOYSA-N 1 0 359.785 2.182 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC000900443967 690517490 /nfs/dbraw/zinc/51/74/90/690517490.db2.gz YGLIIDQQJXHNKE-UHFFFAOYSA-N 1 0 355.757 2.398 20 5 FEBDRO C[NH+]1CCC(NCc2cn(Cc3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC000900532331 690529472 /nfs/dbraw/zinc/52/94/72/690529472.db2.gz JOQKSMJAWFTBEP-UHFFFAOYSA-N 1 0 364.837 2.072 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901141315 690618090 /nfs/dbraw/zinc/61/80/90/690618090.db2.gz XFUZZAMHPBVKJR-LBPRGKRZSA-N 1 0 373.812 2.354 20 5 FEBDRO C[C@]12CSC[C@H]1C[N@H+](CN1CCN(c3ccccc3[N+](=O)[O-])C1=O)C2 ZINC000902674943 690796942 /nfs/dbraw/zinc/79/69/42/690796942.db2.gz LVMMLTASSDMICZ-DYVFJYSZSA-N 1 0 362.455 2.479 20 5 FEBDRO CN(C)[C@@H](CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000905577602 691145097 /nfs/dbraw/zinc/14/50/97/691145097.db2.gz XROFNBMKWBZSAD-ZDUSSCGKSA-N 1 0 362.352 2.396 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(CC2CCOCC2)C1 ZINC000905974901 691204458 /nfs/dbraw/zinc/20/44/58/691204458.db2.gz YERWGDNILUVCEO-INIZCTEOSA-N 1 0 350.415 2.083 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(CC2CCOCC2)C1 ZINC000905974902 691204523 /nfs/dbraw/zinc/20/45/23/691204523.db2.gz YERWGDNILUVCEO-MRXNPFEDSA-N 1 0 350.415 2.083 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906416661 691266008 /nfs/dbraw/zinc/26/60/08/691266008.db2.gz QNONPYRFVFBFIE-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@H](C)C1 ZINC000910281872 691910453 /nfs/dbraw/zinc/91/04/53/691910453.db2.gz FHLZRCMIXOFBRI-CYBMUJFWSA-N 1 0 367.471 2.236 20 5 FEBDRO COc1ncnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164629832 719078213 /nfs/dbraw/zinc/07/82/13/719078213.db2.gz ZIXFUJAZFBACGG-HZPDHXFCSA-N 1 0 369.425 2.494 20 5 FEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001164730686 720512154 /nfs/dbraw/zinc/51/21/54/720512154.db2.gz SJYSPUGQUHOIRW-LLVKDONJSA-N 1 0 350.810 2.038 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902114 721520778 /nfs/dbraw/zinc/52/07/78/721520778.db2.gz ZGLLPAZGMFXANQ-ZBFHGGJFSA-N 1 0 358.373 2.471 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164905970 721562996 /nfs/dbraw/zinc/56/29/96/721562996.db2.gz IHQXKDWKIAGPRW-GDBMZVCRSA-N 1 0 373.388 2.174 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924737 721860540 /nfs/dbraw/zinc/86/05/40/721860540.db2.gz DDRKKRMSPYDMDC-SJORKVTESA-N 1 0 355.442 2.358 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924729 721860606 /nfs/dbraw/zinc/86/06/06/721860606.db2.gz DDRKKRMSPYDMDC-DLBZAZTESA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984070 722105714 /nfs/dbraw/zinc/10/57/14/722105714.db2.gz RRDHSUWDEIFYLA-DLBZAZTESA-N 1 0 369.425 2.112 20 5 FEBDRO COC(=O)c1cc(C(=O)NCc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000009917213 539510049 /nfs/dbraw/zinc/51/00/49/539510049.db2.gz MWZXJBSVEVTABQ-UHFFFAOYSA-N 1 0 371.393 2.373 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000016102330 539627581 /nfs/dbraw/zinc/62/75/81/539627581.db2.gz MCKQPWFMYSRPNO-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025699113 539766576 /nfs/dbraw/zinc/76/65/76/539766576.db2.gz ZWKXCMLBURGHBQ-INIZCTEOSA-N 1 0 364.373 2.484 20 5 FEBDRO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000043148288 540091594 /nfs/dbraw/zinc/09/15/94/540091594.db2.gz UEOXBIHLYUCFOH-HNNXBMFYSA-N 1 0 350.419 2.382 20 5 FEBDRO Cc1c(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000043347806 540098365 /nfs/dbraw/zinc/09/83/65/540098365.db2.gz VCNXFSOOQFHYRK-AWEZNQCLSA-N 1 0 350.419 2.382 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000045455015 540213998 /nfs/dbraw/zinc/21/39/98/540213998.db2.gz MQGFYOUGXMKINV-GJZGRUSLSA-N 1 0 364.446 2.236 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000045745006 540224856 /nfs/dbraw/zinc/22/48/56/540224856.db2.gz YGJFSHZQLDEHQP-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO Nc1c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000048245621 540353796 /nfs/dbraw/zinc/35/37/96/540353796.db2.gz FIRJQLURAVKHFI-AWEZNQCLSA-N 1 0 358.373 2.320 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000048744517 540372286 /nfs/dbraw/zinc/37/22/86/540372286.db2.gz CCSPIBAAUAUYLX-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO CC(C)NC(=O)c1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000052308855 540462660 /nfs/dbraw/zinc/46/26/60/540462660.db2.gz BJYWCBITZAPLPQ-UHFFFAOYSA-N 1 0 364.446 2.257 20 5 FEBDRO Cc1noc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000053640275 540547022 /nfs/dbraw/zinc/54/70/22/540547022.db2.gz IMPADBJNJARMBW-UHFFFAOYSA-N 1 0 359.386 2.494 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000054371115 540586274 /nfs/dbraw/zinc/58/62/74/540586274.db2.gz DVCJFWPSHVYAMR-UHFFFAOYSA-N 1 0 359.329 2.029 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000063518977 541172502 /nfs/dbraw/zinc/17/25/02/541172502.db2.gz RDQRTBXCOMWFNW-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1OC ZINC000063852608 541189453 /nfs/dbraw/zinc/18/94/53/541189453.db2.gz NACJPAVFUKNZJV-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064334086 541201735 /nfs/dbraw/zinc/20/17/35/541201735.db2.gz PMBJJAAMMMWKCR-AEGPPILISA-N 1 0 365.455 2.055 20 5 FEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065781417 541260577 /nfs/dbraw/zinc/26/05/77/541260577.db2.gz LRGAAWIZFKUCTQ-UHFFFAOYSA-N 1 0 359.430 2.338 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)[C@@H](C)CC)cc1OC ZINC000066150028 541285348 /nfs/dbraw/zinc/28/53/48/541285348.db2.gz UCLFDFYNECLDNS-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000067265235 541436854 /nfs/dbraw/zinc/43/68/54/541436854.db2.gz OLFLSLPPSWAXFP-UHFFFAOYSA-N 1 0 365.430 2.462 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000068902659 541638526 /nfs/dbraw/zinc/63/85/26/541638526.db2.gz KXYGJRDUQPJQMD-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068903355 541638977 /nfs/dbraw/zinc/63/89/77/541638977.db2.gz XDNZNDCZWUSDBK-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1nn(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000069370902 541681085 /nfs/dbraw/zinc/68/10/85/541681085.db2.gz JEKZNMNEXUNNJW-UHFFFAOYSA-N 1 0 351.451 2.224 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410587 541765333 /nfs/dbraw/zinc/76/53/33/541765333.db2.gz SVZUGJYZAPSBKU-CQSZACIVSA-N 1 0 358.446 2.224 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000072716884 541856689 /nfs/dbraw/zinc/85/66/89/541856689.db2.gz DACYTVHFDKDJOE-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000074165629 542046397 /nfs/dbraw/zinc/04/63/97/542046397.db2.gz RLTUSJVRVJQTJV-HNNXBMFYSA-N 1 0 364.446 2.489 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])cn3)cn2)CC1 ZINC000074741119 542116967 /nfs/dbraw/zinc/11/69/67/542116967.db2.gz KXFGGHTZHQQNNK-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000075675533 542196952 /nfs/dbraw/zinc/19/69/52/542196952.db2.gz MAJLNAHZFVPVIE-CQSZACIVSA-N 1 0 366.443 2.015 20 5 FEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000075719895 542200373 /nfs/dbraw/zinc/20/03/73/542200373.db2.gz KKKAENQIWAEOMM-WMLDXEAASA-N 1 0 362.430 2.114 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000076542148 542291187 /nfs/dbraw/zinc/29/11/87/542291187.db2.gz ZYMGLWNCFZQLSA-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO Cc1ccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000077178356 542351918 /nfs/dbraw/zinc/35/19/18/542351918.db2.gz CRCPKQREESIVMZ-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000077361544 542372784 /nfs/dbraw/zinc/37/27/84/542372784.db2.gz FXYSKWQJFYDTIQ-UHFFFAOYSA-N 1 0 360.458 2.148 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000085545550 542729019 /nfs/dbraw/zinc/72/90/19/542729019.db2.gz OZWRCJWFWWCMEB-JKSUJKDBSA-N 1 0 362.430 2.356 20 5 FEBDRO C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000087315652 542744829 /nfs/dbraw/zinc/74/48/29/542744829.db2.gz CCHSZMLAYRXPMU-NSHDSACASA-N 1 0 356.220 2.110 20 5 FEBDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087356816 542745124 /nfs/dbraw/zinc/74/51/24/542745124.db2.gz CVNPRVWJCCWYKF-SNVBAGLBSA-N 1 0 358.236 2.356 20 5 FEBDRO CCc1nn(C)c(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478775 542810142 /nfs/dbraw/zinc/81/01/42/542810142.db2.gz WAWMGYINBKYNKI-KBPBESRZSA-N 1 0 365.478 2.216 20 5 FEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092734067 542883785 /nfs/dbraw/zinc/88/37/85/542883785.db2.gz ZFERCJAIEAUMHT-ZDUSSCGKSA-N 1 0 365.430 2.350 20 5 FEBDRO Cn1cc(C[N@H+](C)CCN2CCCC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093320169 542926294 /nfs/dbraw/zinc/92/62/94/542926294.db2.gz ZBLIUCMFENNGQZ-UHFFFAOYSA-N 1 0 357.414 2.050 20 5 FEBDRO Cc1nn(CCC(=O)NCC[N@@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000102340394 543065727 /nfs/dbraw/zinc/06/57/27/543065727.db2.gz FUXUWPQABMEGEZ-UHFFFAOYSA-N 1 0 351.451 2.179 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332637 543065252 /nfs/dbraw/zinc/06/52/52/543065252.db2.gz LTZZWVDZKGQREB-AWEZNQCLSA-N 1 0 351.451 2.155 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000102479111 543071453 /nfs/dbraw/zinc/07/14/53/543071453.db2.gz OYHKLCWZEPRESG-UHFFFAOYSA-N 1 0 359.430 2.455 20 5 FEBDRO C[C@@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000104683946 543137542 /nfs/dbraw/zinc/13/75/42/543137542.db2.gz OGNNXYCWBKUJSQ-CQSZACIVSA-N 1 0 361.442 2.499 20 5 FEBDRO CCOCC[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000106104907 543197985 /nfs/dbraw/zinc/19/79/85/543197985.db2.gz GUFMWGBBYZUUDZ-UHFFFAOYSA-N 1 0 374.441 2.446 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000106801614 543248576 /nfs/dbraw/zinc/24/85/76/543248576.db2.gz YFCOMZGCYAGQTO-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000107696727 543276375 /nfs/dbraw/zinc/27/63/75/543276375.db2.gz BKGUVJSQCIBBHZ-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109987667 543346053 /nfs/dbraw/zinc/34/60/53/543346053.db2.gz FHNNUZCXAQINJC-ZDUSSCGKSA-N 1 0 372.425 2.287 20 5 FEBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000111266364 543390738 /nfs/dbraw/zinc/39/07/38/543390738.db2.gz OOSGQRLWYMZVQS-SNVBAGLBSA-N 1 0 373.356 2.163 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111352591 543398681 /nfs/dbraw/zinc/39/86/81/543398681.db2.gz XXIHIAPTOHHDIT-GFCCVEGCSA-N 1 0 361.851 2.401 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000111461577 543402121 /nfs/dbraw/zinc/40/21/21/543402121.db2.gz HEQHPKYTNILHGB-OAHLLOKOSA-N 1 0 350.419 2.277 20 5 FEBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCCC1=O ZINC000112703730 543458839 /nfs/dbraw/zinc/45/88/39/543458839.db2.gz DQWPJQOEEPKRLE-UHFFFAOYSA-N 1 0 358.398 2.347 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000114140782 543505099 /nfs/dbraw/zinc/50/50/99/543505099.db2.gz SYUSGBCJRJEOTR-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115437134 543567776 /nfs/dbraw/zinc/56/77/76/543567776.db2.gz BJURRVIAGQNJHG-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO CCNC(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000552084032 674186386 /nfs/dbraw/zinc/18/63/86/674186386.db2.gz JNELURCNXPVIGS-LRDDRELGSA-N 1 0 350.419 2.062 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116372709 543607885 /nfs/dbraw/zinc/60/78/85/543607885.db2.gz AXDXIIHYXLOSGT-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO Cc1ccc(F)c(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000116922462 543619975 /nfs/dbraw/zinc/61/99/75/543619975.db2.gz PHGKRKXTFGQBHG-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000122830348 543726200 /nfs/dbraw/zinc/72/62/00/543726200.db2.gz DGNDGPBPWPRNHI-MRXNPFEDSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000123061050 543740258 /nfs/dbraw/zinc/74/02/58/543740258.db2.gz KURISPHTBNBAJA-UHFFFAOYSA-N 1 0 374.397 2.025 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123897239 543789810 /nfs/dbraw/zinc/78/98/10/543789810.db2.gz YILCWGZIQKIPKK-DOMZBBRYSA-N 1 0 363.414 2.326 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000125675362 543895499 /nfs/dbraw/zinc/89/54/99/543895499.db2.gz WQASMQDKQMHCKO-NEPJUHHUSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1nn(C)c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000126503986 543939776 /nfs/dbraw/zinc/93/97/76/543939776.db2.gz ZQBQZYJNZOHISU-BETUJISGSA-N 1 0 351.451 2.125 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1cccs1 ZINC000127507311 543997752 /nfs/dbraw/zinc/99/77/52/543997752.db2.gz TUKIMXVTOWTVEP-GFCCVEGCSA-N 1 0 370.456 2.019 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128736971 544069164 /nfs/dbraw/zinc/06/91/64/544069164.db2.gz KXASJWXWZGXRFT-CYBMUJFWSA-N 1 0 369.393 2.047 20 5 FEBDRO O=C(C[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000129279514 544103034 /nfs/dbraw/zinc/10/30/34/544103034.db2.gz GLJUYXRZDFCTLP-VMPITWQZSA-N 1 0 372.469 2.238 20 5 FEBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000129888198 544130826 /nfs/dbraw/zinc/13/08/26/544130826.db2.gz SAIMSIYXFNYGIP-UHFFFAOYSA-N 1 0 351.366 2.434 20 5 FEBDRO COCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000130279926 544145098 /nfs/dbraw/zinc/14/50/98/544145098.db2.gz CGWZQDWMWABKBR-UHFFFAOYSA-N 1 0 351.403 2.213 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000130833650 544166881 /nfs/dbraw/zinc/16/68/81/544166881.db2.gz URFCIHIFEJOWQN-GHMZBOCLSA-N 1 0 373.356 2.339 20 5 FEBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[nH]1 ZINC000131749758 544204856 /nfs/dbraw/zinc/20/48/56/544204856.db2.gz HGRBVQJBKJYPTA-UHFFFAOYSA-N 1 0 360.395 2.404 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000134402770 544306461 /nfs/dbraw/zinc/30/64/61/544306461.db2.gz OCYWQQRTWFDPAU-HNNXBMFYSA-N 1 0 353.419 2.271 20 5 FEBDRO CCOC(=O)CNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000134537350 544311886 /nfs/dbraw/zinc/31/18/86/544311886.db2.gz KBXLLHUIDPFNGH-CYBMUJFWSA-N 1 0 363.414 2.047 20 5 FEBDRO CC1(C)NC(=O)N(CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000135235001 544338705 /nfs/dbraw/zinc/33/87/05/544338705.db2.gz CEHAYEWAPZAPBE-UHFFFAOYSA-N 1 0 360.414 2.280 20 5 FEBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000136043654 544365624 /nfs/dbraw/zinc/36/56/24/544365624.db2.gz HGGJYTOVBYYDQV-UHFFFAOYSA-N 1 0 357.414 2.480 20 5 FEBDRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000143779154 544424064 /nfs/dbraw/zinc/42/40/64/544424064.db2.gz IWFGITOVVVXDFD-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000149910885 544460521 /nfs/dbraw/zinc/46/05/21/544460521.db2.gz LYZASFASCSNTQT-WMLDXEAASA-N 1 0 371.441 2.442 20 5 FEBDRO Cc1cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000153624030 544799477 /nfs/dbraw/zinc/79/94/77/544799477.db2.gz CHGHOWLOEOWLGW-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000153590445 544794828 /nfs/dbraw/zinc/79/48/28/544794828.db2.gz ODRPUUDKFIYKPS-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000154147010 544869964 /nfs/dbraw/zinc/86/99/64/544869964.db2.gz VCRPPZUZZLBRLC-WCQYABFASA-N 1 0 353.444 2.175 20 5 FEBDRO Cc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000154251448 544881732 /nfs/dbraw/zinc/88/17/32/544881732.db2.gz JNGFOWGCFDAWQQ-JWTNVVGKSA-N 1 0 372.469 2.286 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247545870 549354175 /nfs/dbraw/zinc/35/41/75/549354175.db2.gz YILCWGZIQKIPKK-SWLSCSKDSA-N 1 0 363.414 2.326 20 5 FEBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979199 327619603 /nfs/dbraw/zinc/61/96/03/327619603.db2.gz VVTPSQYFNIDWQL-IINYFYTJSA-N 1 0 361.851 2.434 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000181890911 327751197 /nfs/dbraw/zinc/75/11/97/327751197.db2.gz BEGRRXKSIVAMGH-KDOFPFPSSA-N 1 0 359.430 2.103 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182744741 327787234 /nfs/dbraw/zinc/78/72/34/327787234.db2.gz AVQJQGJMGVIQQE-INIZCTEOSA-N 1 0 360.458 2.204 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182820929 327790225 /nfs/dbraw/zinc/79/02/25/327790225.db2.gz AUIQLSCJKODKLO-MNOVXSKESA-N 1 0 368.821 2.176 20 5 FEBDRO CC(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000804340741 674281550 /nfs/dbraw/zinc/28/15/50/674281550.db2.gz IZZHYTOBMGVNAJ-OAHLLOKOSA-N 1 0 351.407 2.187 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000183589476 327825319 /nfs/dbraw/zinc/82/53/19/327825319.db2.gz FVVMSHYXWUCGHI-UHFFFAOYSA-N 1 0 356.386 2.171 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183712037 327831494 /nfs/dbraw/zinc/83/14/94/327831494.db2.gz LXZBGWDERXLATD-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185167146 327903671 /nfs/dbraw/zinc/90/36/71/327903671.db2.gz PQCADLUQOKOUMI-UHFFFAOYSA-N 1 0 367.377 2.338 20 5 FEBDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000186681808 327975880 /nfs/dbraw/zinc/97/58/80/327975880.db2.gz LKSTUUPZWDXEDG-QGZVFWFLSA-N 1 0 351.403 2.491 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000187628045 328036823 /nfs/dbraw/zinc/03/68/23/328036823.db2.gz XAFVXYIZXUSSHW-KBPBESRZSA-N 1 0 364.446 2.142 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187986945 328058440 /nfs/dbraw/zinc/05/84/40/328058440.db2.gz RYMNPCLIEHOITL-SCLBCKFNSA-N 1 0 365.430 2.415 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000188245305 328075607 /nfs/dbraw/zinc/07/56/07/328075607.db2.gz SZKCISJYTZRJIW-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000188263750 328076570 /nfs/dbraw/zinc/07/65/70/328076570.db2.gz HNFUUWOYUKJGFY-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188312315 328079980 /nfs/dbraw/zinc/07/99/80/328079980.db2.gz XCPSAXQDMMCJCT-UHFFFAOYSA-N 1 0 362.361 2.039 20 5 FEBDRO COc1cc(C[NH2+]CCN2CCc3ccccc3C2=O)c([N+](=O)[O-])cc1O ZINC000189058823 328126225 /nfs/dbraw/zinc/12/62/25/328126225.db2.gz XDTJGRICIUOHJH-UHFFFAOYSA-N 1 0 371.393 2.097 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000189384600 328144744 /nfs/dbraw/zinc/14/47/44/328144744.db2.gz QNZRXYKLUWKHJH-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO COc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000189477042 328150718 /nfs/dbraw/zinc/15/07/18/328150718.db2.gz BVQQSENJXVGTNK-LBPRGKRZSA-N 1 0 355.410 2.020 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190030991 328183787 /nfs/dbraw/zinc/18/37/87/328183787.db2.gz MGTIEWOICBOROB-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)n1 ZINC000191599849 328273506 /nfs/dbraw/zinc/27/35/06/328273506.db2.gz JHHRONARLNUGLF-UHFFFAOYSA-N 1 0 359.430 2.324 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000191617140 328274305 /nfs/dbraw/zinc/27/43/05/328274305.db2.gz ODHLCMRDCASDTM-HNNXBMFYSA-N 1 0 357.414 2.206 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2OCC[NH+](C)C)n1 ZINC000191627391 328274655 /nfs/dbraw/zinc/27/46/55/328274655.db2.gz RZHCZVINCUHIRT-UHFFFAOYSA-N 1 0 361.402 2.312 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC000191759975 328280244 /nfs/dbraw/zinc/28/02/44/328280244.db2.gz JGDZUZLQUCYOQB-OAHLLOKOSA-N 1 0 357.414 2.378 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191810624 328283209 /nfs/dbraw/zinc/28/32/09/328283209.db2.gz WYNKSYVCZDDTRY-ZDUSSCGKSA-N 1 0 351.451 2.442 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000191994990 328292445 /nfs/dbraw/zinc/29/24/45/328292445.db2.gz QUYLBFZUTDALBZ-BZPMIXESSA-N 1 0 351.403 2.077 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192475624 328321133 /nfs/dbraw/zinc/32/11/33/328321133.db2.gz LERNISUSGXCTDC-PHIMTYICSA-N 1 0 355.847 2.360 20 5 FEBDRO CC(C)[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940088 328347923 /nfs/dbraw/zinc/34/79/23/328347923.db2.gz TVZCCSLCIPYFNQ-ROUUACIJSA-N 1 0 361.442 2.445 20 5 FEBDRO C[C@@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC[NH2+]CC1 ZINC000237376979 328514240 /nfs/dbraw/zinc/51/42/40/328514240.db2.gz RAGIFLPYDIPZOT-ZFWWWQNUSA-N 1 0 361.446 2.028 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237613062 328521999 /nfs/dbraw/zinc/52/19/99/328521999.db2.gz JWYAYFYHQOWKBJ-GXFFZTMASA-N 1 0 361.851 2.352 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)c(C)c1[N+](=O)[O-] ZINC000237638114 328523325 /nfs/dbraw/zinc/52/33/25/328523325.db2.gz OLERXARJFKKGJU-MRXNPFEDSA-N 1 0 371.441 2.186 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000083195984 325215888 /nfs/dbraw/zinc/21/58/88/325215888.db2.gz MOHWADUODLJAKB-AWEZNQCLSA-N 1 0 362.430 2.162 20 5 FEBDRO CC(C)[C@H](CO)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090551817 325362667 /nfs/dbraw/zinc/36/26/67/325362667.db2.gz NZDOUPRJJMHWOP-SFHVURJKSA-N 1 0 359.426 2.276 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112917599 325812897 /nfs/dbraw/zinc/81/28/97/325812897.db2.gz CLHYORIZROQQTO-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652535 326028465 /nfs/dbraw/zinc/02/84/65/326028465.db2.gz LELXTAJSBUMFQP-STQMWFEESA-N 1 0 351.451 2.035 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000118099131 326081370 /nfs/dbraw/zinc/08/13/70/326081370.db2.gz ROZAWFVMOVCILO-MRXNPFEDSA-N 1 0 364.446 2.324 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119584036 326177748 /nfs/dbraw/zinc/17/77/48/326177748.db2.gz VHHUQTONEIYHFG-GJZGRUSLSA-N 1 0 372.429 2.234 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000119705599 326189599 /nfs/dbraw/zinc/18/95/99/326189599.db2.gz WMVHBXRHSWCHTP-CYBMUJFWSA-N 1 0 363.439 2.444 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CC[N@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000121497702 326343435 /nfs/dbraw/zinc/34/34/35/326343435.db2.gz ZEURDXPJJMQLAM-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000121610710 326351730 /nfs/dbraw/zinc/35/17/30/326351730.db2.gz PKONERWFIYQWLE-YPMHNXCESA-N 1 0 371.484 2.294 20 5 FEBDRO COc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000121901332 326374810 /nfs/dbraw/zinc/37/48/10/326374810.db2.gz CYHDGBQWUJXJLG-UHFFFAOYSA-N 1 0 358.398 2.432 20 5 FEBDRO CCC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121974671 326379182 /nfs/dbraw/zinc/37/91/82/326379182.db2.gz PFINSQCGGXGBSM-MSOLQXFVSA-N 1 0 351.447 2.061 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000122828566 326410794 /nfs/dbraw/zinc/41/07/94/326410794.db2.gz VLZDSRVWLIRQRX-CQSZACIVSA-N 1 0 367.471 2.283 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123242400 326424935 /nfs/dbraw/zinc/42/49/35/326424935.db2.gz MWJODGDRVPSAKH-ZDUSSCGKSA-N 1 0 363.439 2.396 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000125560354 326473779 /nfs/dbraw/zinc/47/37/79/326473779.db2.gz CCACJKBCWXQYIU-NWDGAFQWSA-N 1 0 351.403 2.335 20 5 FEBDRO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[S@@](C)=O ZINC000133352894 326607260 /nfs/dbraw/zinc/60/72/60/326607260.db2.gz UELUKSOVDNMDRO-MCFWBGNESA-N 1 0 350.444 2.242 20 5 FEBDRO CN1CCN(c2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000134395921 326624853 /nfs/dbraw/zinc/62/48/53/326624853.db2.gz YVXWZHGPAXVODY-UHFFFAOYSA-N 1 0 370.457 2.162 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000135715243 326646688 /nfs/dbraw/zinc/64/66/88/326646688.db2.gz DJWBDHHENZYQBC-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[C@@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000151920744 326694606 /nfs/dbraw/zinc/69/46/06/326694606.db2.gz APRSFMDHONOFSL-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000152231902 326702158 /nfs/dbraw/zinc/70/21/58/326702158.db2.gz BQNRZKQYFKEKCF-UHFFFAOYSA-N 1 0 353.444 2.397 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160524985 326968579 /nfs/dbraw/zinc/96/85/79/326968579.db2.gz QYEKZFCAAMTIOM-ROUUACIJSA-N 1 0 361.442 2.021 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161861347 327011002 /nfs/dbraw/zinc/01/10/02/327011002.db2.gz VLZALHNTFIKNDL-UHFFFAOYSA-N 1 0 360.458 2.229 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000161951094 327013013 /nfs/dbraw/zinc/01/30/13/327013013.db2.gz JBOMYLUTRLTMLL-ZDUSSCGKSA-N 1 0 353.419 2.448 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162388397 327024529 /nfs/dbraw/zinc/02/45/29/327024529.db2.gz SKUDAIAVNBNHDX-LJQANCHMSA-N 1 0 371.441 2.271 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000166324691 327081473 /nfs/dbraw/zinc/08/14/73/327081473.db2.gz UTGNVKQQCPYMIY-UHFFFAOYSA-N 1 0 369.487 2.478 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171368684 327134984 /nfs/dbraw/zinc/13/49/84/327134984.db2.gz FHEVBDGWWRBUGF-HNNXBMFYSA-N 1 0 357.414 2.447 20 5 FEBDRO O=C(CN1CCC(C[NH+]2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000171387327 327136070 /nfs/dbraw/zinc/13/60/70/327136070.db2.gz YKGZJNBFVQEEHW-UHFFFAOYSA-N 1 0 372.469 2.292 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171548011 327145287 /nfs/dbraw/zinc/14/52/87/327145287.db2.gz WYYMIXMBQWTGRF-UHFFFAOYSA-N 1 0 357.414 2.263 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000171803975 327162516 /nfs/dbraw/zinc/16/25/16/327162516.db2.gz HYRAISIXNXDXKQ-UHFFFAOYSA-N 1 0 372.429 2.060 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172114937 327181474 /nfs/dbraw/zinc/18/14/74/327181474.db2.gz BKSANRBCGXSSPQ-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000172619134 327211944 /nfs/dbraw/zinc/21/19/44/327211944.db2.gz QRLHOJNGJVEREI-DZGCQCFKSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000172683913 327214427 /nfs/dbraw/zinc/21/44/27/327214427.db2.gz NUTRKTIXJRMTJV-BLLLJJGKSA-N 1 0 363.443 2.052 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173267812 327245387 /nfs/dbraw/zinc/24/53/87/327245387.db2.gz BEYHNCIJTFMTJK-OCCSQVGLSA-N 1 0 355.460 2.260 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173925662 327295014 /nfs/dbraw/zinc/29/50/14/327295014.db2.gz VQFVDXNYGKVEBY-GFCCVEGCSA-N 1 0 359.423 2.086 20 5 FEBDRO Cc1nn(CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000174560259 327334811 /nfs/dbraw/zinc/33/48/11/327334811.db2.gz CXHOKKBIMGOBLW-INIZCTEOSA-N 1 0 363.462 2.133 20 5 FEBDRO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(F)c1 ZINC000174856898 327355707 /nfs/dbraw/zinc/35/57/07/327355707.db2.gz WWQDNUGHKOELET-UHFFFAOYSA-N 1 0 368.340 2.135 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175089697 327373486 /nfs/dbraw/zinc/37/34/86/327373486.db2.gz XCVRLCCGESFSJZ-GHMZBOCLSA-N 1 0 361.851 2.399 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000175167486 327377813 /nfs/dbraw/zinc/37/78/13/327377813.db2.gz ABTBQQJKPKDQLX-INIZCTEOSA-N 1 0 357.414 2.076 20 5 FEBDRO C[C@@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC[NH2+]CC1 ZINC000178326463 327578559 /nfs/dbraw/zinc/57/85/59/327578559.db2.gz WGWPTEKLANVLIM-HNNXBMFYSA-N 1 0 360.458 2.269 20 5 FEBDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000178688988 327600564 /nfs/dbraw/zinc/60/05/64/327600564.db2.gz LTIMIIMYJXTHAN-DZGCQCFKSA-N 1 0 357.414 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000249425584 328769344 /nfs/dbraw/zinc/76/93/44/328769344.db2.gz DOPDWQZBYUGHAU-QWRGUYRKSA-N 1 0 361.851 2.305 20 5 FEBDRO Cn1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261637341 328807393 /nfs/dbraw/zinc/80/73/93/328807393.db2.gz AMHOQEFYKPCPCU-GASCZTMLSA-N 1 0 369.425 2.067 20 5 FEBDRO NC(=O)c1ccc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000261717781 328814301 /nfs/dbraw/zinc/81/43/01/328814301.db2.gz NAOYACFGRQBJAB-KRWDZBQOSA-N 1 0 374.828 2.494 20 5 FEBDRO C[NH2+]CCC1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262006471 328834667 /nfs/dbraw/zinc/83/46/67/328834667.db2.gz RRSUJRDPKVIPHE-ZDUSSCGKSA-N 1 0 364.446 2.252 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000262015147 328835224 /nfs/dbraw/zinc/83/52/24/328835224.db2.gz RCOXSYNFTYKINF-MLGOLLRUSA-N 1 0 371.441 2.266 20 5 FEBDRO CN(CC(=O)N(CCC[NH3+])Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000262455595 328866920 /nfs/dbraw/zinc/86/69/20/328866920.db2.gz KYCORYJXKXFHNP-UHFFFAOYSA-N 1 0 356.426 2.409 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[C@H]1CC[NH2+]C1 ZINC000262571155 328873741 /nfs/dbraw/zinc/87/37/41/328873741.db2.gz HDYKQGADUOOZDE-SNVBAGLBSA-N 1 0 356.220 2.016 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000264215373 329000953 /nfs/dbraw/zinc/00/09/53/329000953.db2.gz GKOWFCLPTRABHM-UHFFFAOYSA-N 1 0 372.425 2.451 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000264250170 329004709 /nfs/dbraw/zinc/00/47/09/329004709.db2.gz BGPPMHOCGIIZAE-CQSZACIVSA-N 1 0 361.446 2.181 20 5 FEBDRO O=C(NCc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCCC2)CCOCC1 ZINC000264285273 329007321 /nfs/dbraw/zinc/00/73/21/329007321.db2.gz SVAOFEUYWBHEDO-UHFFFAOYSA-N 1 0 362.430 2.039 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000264320828 329009798 /nfs/dbraw/zinc/00/97/98/329009798.db2.gz VGHQRYWDGRWVOW-UHFFFAOYSA-N 1 0 351.378 2.109 20 5 FEBDRO COc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264610914 329040436 /nfs/dbraw/zinc/04/04/36/329040436.db2.gz PPQNBEJHEANSFW-AWEZNQCLSA-N 1 0 363.414 2.069 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000264686335 329048461 /nfs/dbraw/zinc/04/84/61/329048461.db2.gz REULMVFNKWXIFK-UHFFFAOYSA-N 1 0 372.429 2.060 20 5 FEBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082191 329088711 /nfs/dbraw/zinc/08/87/11/329088711.db2.gz QQMRXAMFRVNYJI-QWRGUYRKSA-N 1 0 351.794 2.450 20 5 FEBDRO Cc1c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000265450803 329128174 /nfs/dbraw/zinc/12/81/74/329128174.db2.gz KMSWHKMJMDMRMG-UHFFFAOYSA-N 1 0 354.410 2.324 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000265825647 329164210 /nfs/dbraw/zinc/16/42/10/329164210.db2.gz RVQZGCOHADWVPV-UHFFFAOYSA-N 1 0 374.235 2.008 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920792 329172885 /nfs/dbraw/zinc/17/28/85/329172885.db2.gz BPTZWJQAQQGNPF-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980821 329178865 /nfs/dbraw/zinc/17/88/65/329178865.db2.gz YXSQRJHKRGRKHO-CHWSQXEVSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265982063 329179041 /nfs/dbraw/zinc/17/90/41/329179041.db2.gz ZERXISPRBAGUFG-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266095541 329189823 /nfs/dbraw/zinc/18/98/23/329189823.db2.gz FEDIDSLFCKKMDI-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000266291711 329208673 /nfs/dbraw/zinc/20/86/73/329208673.db2.gz MAJKUPKPAXFRPH-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO C[C@H](CC[NH+](C)C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266813388 329262145 /nfs/dbraw/zinc/26/21/45/329262145.db2.gz WOTRUXPPCHFPRM-CQSZACIVSA-N 1 0 364.446 2.488 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267702081 329351064 /nfs/dbraw/zinc/35/10/64/329351064.db2.gz ZQSZXWVTBICLAG-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267939819 329370089 /nfs/dbraw/zinc/37/00/89/329370089.db2.gz RKYRKKBICKEMLO-UHFFFAOYSA-N 1 0 367.402 2.253 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1SC ZINC000269221459 329497644 /nfs/dbraw/zinc/49/76/44/329497644.db2.gz SOVLHKAVJAIBKH-GHMZBOCLSA-N 1 0 353.444 2.443 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000269247549 329500672 /nfs/dbraw/zinc/50/06/72/329500672.db2.gz YRVBCKYBAVFKNW-NWDGAFQWSA-N 1 0 351.403 2.120 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270194892 329581403 /nfs/dbraw/zinc/58/14/03/329581403.db2.gz IDZGCVKAYOHDLO-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CN(c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000271417717 329692247 /nfs/dbraw/zinc/69/22/47/329692247.db2.gz PLJPKKGLOXEEKL-UHFFFAOYSA-N 1 0 372.429 2.111 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(OC)CC1 ZINC000271681900 329714849 /nfs/dbraw/zinc/71/48/49/329714849.db2.gz CRSGEPPYNFIEJA-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458554 329866463 /nfs/dbraw/zinc/86/64/63/329866463.db2.gz QDEUPOFBJVEGTN-LSDHHAIUSA-N 1 0 356.444 2.162 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000273477100 329868147 /nfs/dbraw/zinc/86/81/47/329868147.db2.gz YZYPHWVNOJHPFJ-NTCAYCPXSA-N 1 0 361.442 2.350 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000273530359 329872175 /nfs/dbraw/zinc/87/21/75/329872175.db2.gz HQBZCDDMGASWSF-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C2)CC1 ZINC000276387414 330147664 /nfs/dbraw/zinc/14/76/64/330147664.db2.gz ZLQKSBRKBWHSLS-AWEZNQCLSA-N 1 0 367.471 2.166 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000367052260 330211491 /nfs/dbraw/zinc/21/14/91/330211491.db2.gz JKFHLWPDPWSNIP-CRAIPNDOSA-N 1 0 374.485 2.255 20 5 FEBDRO CCC[N@@H+]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000369322407 330239179 /nfs/dbraw/zinc/23/91/79/330239179.db2.gz COYHIKXUOPBDIP-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000371458484 330243997 /nfs/dbraw/zinc/24/39/97/330243997.db2.gz KTMLABUIIYZXSR-MOEXGYKKSA-N 1 0 372.469 2.235 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH2+]C)CC1 ZINC000440839948 330276457 /nfs/dbraw/zinc/27/64/57/330276457.db2.gz DXRUMEPHUUPMJH-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO C[C@@H]1CCCN(Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)C1 ZINC000555723868 674373692 /nfs/dbraw/zinc/37/36/92/674373692.db2.gz YPHYORHNKCMDTL-SECBINFHSA-N 1 0 350.404 2.259 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000155524344 545537096 /nfs/dbraw/zinc/53/70/96/545537096.db2.gz RJFRRNZWGPRKEL-CQSZACIVSA-N 1 0 362.430 2.018 20 5 FEBDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155573052 545544731 /nfs/dbraw/zinc/54/47/31/545544731.db2.gz GQTMAQYBLALTQR-OAHLLOKOSA-N 1 0 371.441 2.343 20 5 FEBDRO O=C(CC[N@@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000155899769 545581891 /nfs/dbraw/zinc/58/18/91/545581891.db2.gz YBIIPGGPVNAGQA-UHFFFAOYSA-N 1 0 374.363 2.493 20 5 FEBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000158254493 545840277 /nfs/dbraw/zinc/84/02/77/545840277.db2.gz GGSDHHUZXITFIH-UHFFFAOYSA-N 1 0 355.441 2.067 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055271 545917996 /nfs/dbraw/zinc/91/79/96/545917996.db2.gz VXGGNABISFSZOJ-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159302809 545941488 /nfs/dbraw/zinc/94/14/88/545941488.db2.gz PKRVLZLCCIOORW-GOSISDBHSA-N 1 0 369.421 2.052 20 5 FEBDRO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000160369728 546034463 /nfs/dbraw/zinc/03/44/63/546034463.db2.gz RTIUQMZKOIOAAE-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000161343584 546121159 /nfs/dbraw/zinc/12/11/59/546121159.db2.gz PSWKULZINIHVCJ-IAGOWNOFSA-N 1 0 371.441 2.456 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175769673 546346528 /nfs/dbraw/zinc/34/65/28/546346528.db2.gz QZDIMPTWMYEPIL-UHFFFAOYSA-N 1 0 363.462 2.158 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175903818 546369151 /nfs/dbraw/zinc/36/91/51/546369151.db2.gz ZTRSCKHNRXRZGV-GJZGRUSLSA-N 1 0 362.430 2.020 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000176013251 546390517 /nfs/dbraw/zinc/39/05/17/546390517.db2.gz WJIAVFUDRNXQLY-LBPRGKRZSA-N 1 0 352.435 2.379 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000480482731 561210220 /nfs/dbraw/zinc/21/02/20/561210220.db2.gz LUJOLENDXNLYFM-UHFFFAOYSA-N 1 0 357.414 2.313 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000176902013 546503895 /nfs/dbraw/zinc/50/38/95/546503895.db2.gz RYURXEZGEWPXIG-UHFFFAOYSA-N 1 0 367.365 2.145 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480758309 561216144 /nfs/dbraw/zinc/21/61/44/561216144.db2.gz NBQPMFJWRCAYHX-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000177205884 546569632 /nfs/dbraw/zinc/56/96/32/546569632.db2.gz DVBYBEWPPVXCAJ-RYUDHWBXSA-N 1 0 363.414 2.357 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178101180 546739472 /nfs/dbraw/zinc/73/94/72/546739472.db2.gz CQKFKQUBCHQALP-ZDUSSCGKSA-N 1 0 365.455 2.111 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178689800 546832802 /nfs/dbraw/zinc/83/28/02/546832802.db2.gz LIBDMRAMMDLESV-CHWSQXEVSA-N 1 0 350.419 2.424 20 5 FEBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000178827350 546856807 /nfs/dbraw/zinc/85/68/07/546856807.db2.gz VNRRGYQCZFRYQN-SNVBAGLBSA-N 1 0 370.247 2.486 20 5 FEBDRO COC(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179131420 546903402 /nfs/dbraw/zinc/90/34/02/546903402.db2.gz NLMDEFPPXCINNV-JTQLQIEISA-N 1 0 355.778 2.214 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000179754240 547008910 /nfs/dbraw/zinc/00/89/10/547008910.db2.gz CRLCMVMJKNINJJ-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1cccs1 ZINC000179949629 547032290 /nfs/dbraw/zinc/03/22/90/547032290.db2.gz JLJRRHYFGYTQCL-LBPRGKRZSA-N 1 0 363.395 2.418 20 5 FEBDRO C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000180120081 547055784 /nfs/dbraw/zinc/05/57/84/547055784.db2.gz KSHITIAFSKEYGA-ZDUSSCGKSA-N 1 0 357.476 2.033 20 5 FEBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000482869639 561261722 /nfs/dbraw/zinc/26/17/22/561261722.db2.gz CHTYTZHDNYRJHF-HIFRSBDPSA-N 1 0 356.382 2.145 20 5 FEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000180988152 547226306 /nfs/dbraw/zinc/22/63/06/547226306.db2.gz DUDXUBWSAQLASK-UHFFFAOYSA-N 1 0 371.397 2.320 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181093143 547247912 /nfs/dbraw/zinc/24/79/12/547247912.db2.gz DXPYOIMAQNUIGH-CJNGLKHVSA-N 1 0 369.425 2.212 20 5 FEBDRO CCOc1cc(C(=O)NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000181288673 547286424 /nfs/dbraw/zinc/28/64/24/547286424.db2.gz JFWIZLZVDHEKDL-UHFFFAOYSA-N 1 0 351.403 2.122 20 5 FEBDRO CNc1c(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000483378798 561275240 /nfs/dbraw/zinc/27/52/40/561275240.db2.gz FMRWETIFLHBQDL-GJZGRUSLSA-N 1 0 364.471 2.288 20 5 FEBDRO C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181786000 547380321 /nfs/dbraw/zinc/38/03/21/547380321.db2.gz WVMPZUCXELTPAF-AWEZNQCLSA-N 1 0 370.471 2.384 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367067 547479554 /nfs/dbraw/zinc/47/95/54/547479554.db2.gz SGWWRGLCQVPLET-CJNGLKHVSA-N 1 0 351.403 2.479 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367099 547479909 /nfs/dbraw/zinc/47/99/09/547479909.db2.gz SGWWRGLCQVPLET-CZUORRHYSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc([C@@H](CCO)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182400029 547486323 /nfs/dbraw/zinc/48/63/23/547486323.db2.gz PENNIIANHQXBDC-GOSISDBHSA-N 1 0 373.409 2.280 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182579265 547515982 /nfs/dbraw/zinc/51/59/82/547515982.db2.gz AJVQFWXRPLIBKZ-ZDUSSCGKSA-N 1 0 363.414 2.421 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000183147536 547610108 /nfs/dbraw/zinc/61/01/08/547610108.db2.gz LSSXDMDXXVFDCZ-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1nn(CCC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000183170135 547614739 /nfs/dbraw/zinc/61/47/39/547614739.db2.gz OFCKADXEENKAPE-CYBMUJFWSA-N 1 0 351.451 2.179 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183295546 547635412 /nfs/dbraw/zinc/63/54/12/547635412.db2.gz KFVAWZWUEDYROV-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])s1 ZINC000183461459 547665398 /nfs/dbraw/zinc/66/53/98/547665398.db2.gz YIRRJRCUGNIPET-CQSZACIVSA-N 1 0 361.423 2.153 20 5 FEBDRO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000183626390 547691394 /nfs/dbraw/zinc/69/13/94/547691394.db2.gz ADDAJXDTCKUCCT-UHFFFAOYSA-N 1 0 356.386 2.423 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183766558 547716020 /nfs/dbraw/zinc/71/60/20/547716020.db2.gz MSLFANZRFAGERV-MRXNPFEDSA-N 1 0 373.384 2.231 20 5 FEBDRO CSc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184325285 547808112 /nfs/dbraw/zinc/80/81/12/547808112.db2.gz OSFIVRPNIUCAMP-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000184915395 547899020 /nfs/dbraw/zinc/89/90/20/547899020.db2.gz VQTYLUKZKKHOCG-IAQYHMDHSA-N 1 0 373.450 2.393 20 5 FEBDRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185299117 547966817 /nfs/dbraw/zinc/96/68/17/547966817.db2.gz YYRUWFTUFOVXKQ-KBPBESRZSA-N 1 0 365.405 2.018 20 5 FEBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186302264 548114400 /nfs/dbraw/zinc/11/44/00/548114400.db2.gz BDOXGOMNXJCNOC-KRWDZBQOSA-N 1 0 371.441 2.223 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000186780317 548191115 /nfs/dbraw/zinc/19/11/15/548191115.db2.gz LMUNNWGEVZQWTG-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186848700 548205757 /nfs/dbraw/zinc/20/57/57/548205757.db2.gz OEDUXJSKQSFTQW-ZANVPECISA-N 1 0 356.220 2.014 20 5 FEBDRO CN(C)C1(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1 ZINC000186977948 548233205 /nfs/dbraw/zinc/23/32/05/548233205.db2.gz DBUCZDTUZIYDON-UHFFFAOYSA-N 1 0 352.410 2.479 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000486400220 561346297 /nfs/dbraw/zinc/34/62/97/561346297.db2.gz VHJHIUGGYSAYRA-OAHLLOKOSA-N 1 0 369.425 2.378 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000193947439 548411833 /nfs/dbraw/zinc/41/18/33/548411833.db2.gz LKIXEYLDKGDXLB-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000236763418 548778301 /nfs/dbraw/zinc/77/83/01/548778301.db2.gz SXXJJOCPWGDXAO-CQSZACIVSA-N 1 0 363.414 2.365 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237215404 548809039 /nfs/dbraw/zinc/80/90/39/548809039.db2.gz DIKGACBETHNMBN-ZDUSSCGKSA-N 1 0 367.471 2.343 20 5 FEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237612090 548838128 /nfs/dbraw/zinc/83/81/28/548838128.db2.gz HRORCGJEXGWNDA-VHSXEESVSA-N 1 0 356.220 2.109 20 5 FEBDRO Cn1cc(C[NH2+]Cc2cccc(C(N)=O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933355 548865333 /nfs/dbraw/zinc/86/53/33/548865333.db2.gz QQOWDILUFPWKGQ-UHFFFAOYSA-N 1 0 365.393 2.384 20 5 FEBDRO Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245447678 548924160 /nfs/dbraw/zinc/92/41/60/548924160.db2.gz MHUNFQXDKMMYRM-NVXWUHKLSA-N 1 0 372.425 2.224 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000488216292 561386216 /nfs/dbraw/zinc/38/62/16/561386216.db2.gz JKSDUQZQYWXHKS-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246380230 549118630 /nfs/dbraw/zinc/11/86/30/549118630.db2.gz OPFRNMQMPLKHHR-ZFWWWQNUSA-N 1 0 365.455 2.232 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000246810099 549218038 /nfs/dbraw/zinc/21/80/38/549218038.db2.gz NXIHSRXALKAVCD-GUYCJALGSA-N 1 0 364.446 2.165 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000246974597 549255729 /nfs/dbraw/zinc/25/57/29/549255729.db2.gz JHTBPTUYQPPIEZ-BXUZGUMPSA-N 1 0 373.862 2.353 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246984380 549257290 /nfs/dbraw/zinc/25/72/90/549257290.db2.gz JWIMPPWDWPYEOE-GXTWGEPZSA-N 1 0 355.460 2.315 20 5 FEBDRO CCOc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247138456 549290234 /nfs/dbraw/zinc/29/02/34/549290234.db2.gz JPKKHZYVPFQLBW-CHWSQXEVSA-N 1 0 363.414 2.311 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248474067 549448186 /nfs/dbraw/zinc/44/81/86/549448186.db2.gz XCCRRFWXOHLDFA-KBRIMQKVSA-N 1 0 352.431 2.470 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248975576 549534835 /nfs/dbraw/zinc/53/48/35/549534835.db2.gz DLDLHUNEDZDKHZ-DZGCQCFKSA-N 1 0 363.414 2.363 20 5 FEBDRO C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000249365925 549584071 /nfs/dbraw/zinc/58/40/71/549584071.db2.gz MNEISASVNBDCTL-CHWSQXEVSA-N 1 0 367.421 2.141 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255333057 549705198 /nfs/dbraw/zinc/70/51/98/549705198.db2.gz ORLCFZSPCCFZFW-DAXSKMNVSA-N 1 0 368.437 2.088 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000491287516 561444449 /nfs/dbraw/zinc/44/44/49/561444449.db2.gz YTTMFTSTNLVUNR-IBGZPJMESA-N 1 0 374.416 2.389 20 5 FEBDRO Cc1cnc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000491320795 561444768 /nfs/dbraw/zinc/44/47/68/561444768.db2.gz HLYCLCRVSMHUTI-IBGZPJMESA-N 1 0 356.426 2.371 20 5 FEBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000268526301 550082501 /nfs/dbraw/zinc/08/25/01/550082501.db2.gz HHRXZYWZBYLUSW-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000268976220 550139902 /nfs/dbraw/zinc/13/99/02/550139902.db2.gz NQIXYVMGNBYJBE-LBPRGKRZSA-N 1 0 368.393 2.403 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269169670 550163292 /nfs/dbraw/zinc/16/32/92/550163292.db2.gz HHBIRKYTGMDIGZ-QMMMGPOBSA-N 1 0 360.183 2.226 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269193251 550166195 /nfs/dbraw/zinc/16/61/95/550166195.db2.gz YIFBPLBJMMMMGQ-MRVPVSSYSA-N 1 0 360.183 2.178 20 5 FEBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269197476 550166402 /nfs/dbraw/zinc/16/64/02/550166402.db2.gz LSLAYABCSQUCKR-UWVGGRQHSA-N 1 0 356.220 2.475 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269200152 550166439 /nfs/dbraw/zinc/16/64/39/550166439.db2.gz VFQBUDAFXVFOIK-VIFPVBQESA-N 1 0 360.183 2.320 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000269198703 550166598 /nfs/dbraw/zinc/16/65/98/550166598.db2.gz SQLLMPROKGZCHT-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000269362274 550185572 /nfs/dbraw/zinc/18/55/72/550185572.db2.gz PHDAYLUUSZYXGG-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO Cc1c(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000269692671 550217810 /nfs/dbraw/zinc/21/78/10/550217810.db2.gz KJIVYGXUWLGJKK-UHFFFAOYSA-N 1 0 361.442 2.207 20 5 FEBDRO CCOc1cc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000493550742 561456872 /nfs/dbraw/zinc/45/68/72/561456872.db2.gz RMRUUUBDIUBTBU-CQSZACIVSA-N 1 0 351.447 2.271 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1[NH+](C)C ZINC000270850984 550313826 /nfs/dbraw/zinc/31/38/26/550313826.db2.gz PTBXMHRIOBBGMV-LSDHHAIUSA-N 1 0 360.439 2.261 20 5 FEBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000270864970 550315211 /nfs/dbraw/zinc/31/52/11/550315211.db2.gz INJXSPWPSZCONK-INIZCTEOSA-N 1 0 370.409 2.489 20 5 FEBDRO CSc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000270970225 550327020 /nfs/dbraw/zinc/32/70/20/550327020.db2.gz BRHFYHUSYXHTCT-JSGCOSHPSA-N 1 0 355.485 2.434 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271736934 550398383 /nfs/dbraw/zinc/39/83/83/550398383.db2.gz ZREZVNAFAKLLEL-HNNXBMFYSA-N 1 0 359.382 2.255 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272262673 550432277 /nfs/dbraw/zinc/43/22/77/550432277.db2.gz AVIMHEJZYXSGQR-BZNIZROVSA-N 1 0 356.382 2.015 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000272525920 550455614 /nfs/dbraw/zinc/45/56/14/550455614.db2.gz DXHADMQDGOKMCE-UHFFFAOYSA-N 1 0 350.419 2.132 20 5 FEBDRO CC(C)N1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000272539767 550456853 /nfs/dbraw/zinc/45/68/53/550456853.db2.gz JMALZQUXOMPUFF-UHFFFAOYSA-N 1 0 358.398 2.345 20 5 FEBDRO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566946 550458118 /nfs/dbraw/zinc/45/81/18/550458118.db2.gz VFXFBHPWSVTLHS-KSSFIOAISA-N 1 0 355.442 2.492 20 5 FEBDRO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1=CC[N@H+](C)CC1 ZINC000272974623 550478959 /nfs/dbraw/zinc/47/89/59/550478959.db2.gz ORMMRQRPXGALRL-CYBMUJFWSA-N 1 0 355.398 2.161 20 5 FEBDRO CCOc1cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)ccc1[N+](=O)[O-] ZINC000276904001 550609415 /nfs/dbraw/zinc/60/94/15/550609415.db2.gz MBQVVENOUHWMQF-INIZCTEOSA-N 1 0 370.446 2.228 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000276920149 550611010 /nfs/dbraw/zinc/61/10/10/550611010.db2.gz HACKKBKYXKOUBF-ZBFHGGJFSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000277398708 550665666 /nfs/dbraw/zinc/66/56/66/550665666.db2.gz YEHXEDYEDXORDF-ZDUSSCGKSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000277398700 550665739 /nfs/dbraw/zinc/66/57/39/550665739.db2.gz YEHXEDYEDXORDF-CYBMUJFWSA-N 1 0 351.403 2.168 20 5 FEBDRO CCNC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277536490 550681739 /nfs/dbraw/zinc/68/17/39/550681739.db2.gz YVQWZYUWQLOSLP-UHFFFAOYSA-N 1 0 371.441 2.391 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000277650063 550696374 /nfs/dbraw/zinc/69/63/74/550696374.db2.gz UXGBJMPZZRVMJF-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278640916 550807082 /nfs/dbraw/zinc/80/70/82/550807082.db2.gz JBDMGXLYDYOICR-MLGOLLRUSA-N 1 0 372.429 2.097 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279158233 550860038 /nfs/dbraw/zinc/86/00/38/550860038.db2.gz FMCFQUFRFKJJKF-ZDUSSCGKSA-N 1 0 372.425 2.401 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[NH+]1CCCC1 ZINC000279292257 550874334 /nfs/dbraw/zinc/87/43/34/550874334.db2.gz YTDUPTHXJSRFMN-LBPRGKRZSA-N 1 0 352.410 2.262 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280566602 551008301 /nfs/dbraw/zinc/00/83/01/551008301.db2.gz RQBIRKIVNGGRHO-KDOFPFPSSA-N 1 0 363.414 2.112 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000280977891 551051421 /nfs/dbraw/zinc/05/14/21/551051421.db2.gz LTGYWGJFGRMXAK-OAHLLOKOSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000281018822 551055355 /nfs/dbraw/zinc/05/53/55/551055355.db2.gz LVXOOWZVYMOENS-SJLPKXTDSA-N 1 0 369.425 2.324 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281569583 551114529 /nfs/dbraw/zinc/11/45/29/551114529.db2.gz CMAMCDNVTDSUDW-OXQOHEQNSA-N 1 0 372.421 2.148 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000281660834 551127015 /nfs/dbraw/zinc/12/70/15/551127015.db2.gz CJCHCDIALRJTDT-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1c(C(=O)N(C)CCC[NH+]2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000281784027 551142812 /nfs/dbraw/zinc/14/28/12/551142812.db2.gz RVZWOMXKSYFHCV-UHFFFAOYSA-N 1 0 372.429 2.042 20 5 FEBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cnc2ccccc2c1=O ZINC000282454603 551231429 /nfs/dbraw/zinc/23/14/29/551231429.db2.gz MDRLONCDDNDLNY-UHFFFAOYSA-N 1 0 352.394 2.479 20 5 FEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000282496153 551237077 /nfs/dbraw/zinc/23/70/77/551237077.db2.gz OJIBDZCKMDQAHU-INIZCTEOSA-N 1 0 356.430 2.455 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497577528 561504111 /nfs/dbraw/zinc/50/41/11/561504111.db2.gz FICQTCGJVXHAGE-UHFFFAOYSA-N 1 0 369.406 2.377 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)n1 ZINC000282748138 551266157 /nfs/dbraw/zinc/26/61/57/551266157.db2.gz NQINGBAIDWLYOE-INIZCTEOSA-N 1 0 350.806 2.436 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498224669 561519205 /nfs/dbraw/zinc/51/92/05/561519205.db2.gz AKIYHOQILVEEDQ-CHWSQXEVSA-N 1 0 350.419 2.228 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498224670 561519355 /nfs/dbraw/zinc/51/93/55/561519355.db2.gz AKIYHOQILVEEDQ-OLZOCXBDSA-N 1 0 350.419 2.228 20 5 FEBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000284813105 551639976 /nfs/dbraw/zinc/63/99/76/551639976.db2.gz NTIHLFVDOSANCX-HNNXBMFYSA-N 1 0 359.386 2.423 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@@H]1C ZINC000498552939 561528063 /nfs/dbraw/zinc/52/80/63/561528063.db2.gz DGIFDMQJZGQNJY-QWHCGFSZSA-N 1 0 372.429 2.039 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000498557993 561528471 /nfs/dbraw/zinc/52/84/71/561528471.db2.gz XNPZQASJBBJRIP-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285399449 551750033 /nfs/dbraw/zinc/75/00/33/551750033.db2.gz XRPSVNZCITZOJZ-UONOGXRCSA-N 1 0 353.806 2.102 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285456633 551759425 /nfs/dbraw/zinc/75/94/25/551759425.db2.gz YXXFXUVKNMFRAD-QWHCGFSZSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000285759674 551806740 /nfs/dbraw/zinc/80/67/40/551806740.db2.gz ZJFPMLLLHKZVLM-UONOGXRCSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286036996 551841476 /nfs/dbraw/zinc/84/14/76/551841476.db2.gz QDXOVCHDRUZJBX-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000287007267 551950977 /nfs/dbraw/zinc/95/09/77/551950977.db2.gz HRCMXJILVHFJNJ-MLGOLLRUSA-N 1 0 361.398 2.080 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287438080 552004108 /nfs/dbraw/zinc/00/41/08/552004108.db2.gz KWJVLQDZJZYUFV-UHFFFAOYSA-N 1 0 351.329 2.054 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499690392 561556336 /nfs/dbraw/zinc/55/63/36/561556336.db2.gz IDFAUBRZVVWAIS-HNNXBMFYSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417522 552150078 /nfs/dbraw/zinc/15/00/78/552150078.db2.gz NQBQSSYOQJABEY-IBGZPJMESA-N 1 0 369.425 2.365 20 5 FEBDRO CC[C@@H](C)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC ZINC000499785226 561558479 /nfs/dbraw/zinc/55/84/79/561558479.db2.gz IBEXTNGAMJQYDX-GFCCVEGCSA-N 1 0 365.386 2.166 20 5 FEBDRO O=C(CN1CCCc2occc2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000288723389 552200855 /nfs/dbraw/zinc/20/08/55/552200855.db2.gz FZEOKIYYDBAPKS-UHFFFAOYSA-N 1 0 359.338 2.303 20 5 FEBDRO COc1ccc(C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000288979740 552247519 /nfs/dbraw/zinc/24/75/19/552247519.db2.gz ZHNCJAPVDOTRFV-INIZCTEOSA-N 1 0 362.430 2.462 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500118116 561566293 /nfs/dbraw/zinc/56/62/93/561566293.db2.gz CTXPXYDXSOCFER-RYUDHWBXSA-N 1 0 351.403 2.167 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000500176102 561567317 /nfs/dbraw/zinc/56/73/17/561567317.db2.gz FXTSLGOIVZRJED-UHFFFAOYSA-N 1 0 366.462 2.144 20 5 FEBDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661885 552358152 /nfs/dbraw/zinc/35/81/52/552358152.db2.gz NFHVIVKOKPAJNK-BLLLJJGKSA-N 1 0 366.805 2.201 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000290112310 552429216 /nfs/dbraw/zinc/42/92/16/552429216.db2.gz KONZRNBLJCPSCA-CYBMUJFWSA-N 1 0 363.414 2.074 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000290979914 552571747 /nfs/dbraw/zinc/57/17/47/552571747.db2.gz RJOPFGJATQMBTO-INIZCTEOSA-N 1 0 369.425 2.411 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000291999476 552683255 /nfs/dbraw/zinc/68/32/55/552683255.db2.gz LIILDPKOOCZFRA-ZDUSSCGKSA-N 1 0 353.444 2.090 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292070838 552690437 /nfs/dbraw/zinc/69/04/37/552690437.db2.gz DOKUMNDFRFOECK-MRXNPFEDSA-N 1 0 352.822 2.214 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292171200 552701215 /nfs/dbraw/zinc/70/12/15/552701215.db2.gz PSAPJTMDYFXGQH-RDJZCZTQSA-N 1 0 350.415 2.083 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292644877 552745889 /nfs/dbraw/zinc/74/58/89/552745889.db2.gz HPGLPLVMWGZFQM-INIZCTEOSA-N 1 0 363.414 2.311 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293470096 552827036 /nfs/dbraw/zinc/82/70/36/552827036.db2.gz ZUCLLCRXYODVSK-UHFFFAOYSA-N 1 0 363.336 2.312 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294860177 552939365 /nfs/dbraw/zinc/93/93/65/552939365.db2.gz SXLQZNOUSSGZQZ-JOYOIKCWSA-N 1 0 360.336 2.381 20 5 FEBDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501977025 561609144 /nfs/dbraw/zinc/60/91/44/561609144.db2.gz QKEDYCPMCFYZSS-LBPRGKRZSA-N 1 0 350.419 2.158 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295482910 553014415 /nfs/dbraw/zinc/01/44/15/553014415.db2.gz ODTHMIJJWIKPJG-UONOGXRCSA-N 1 0 367.471 2.038 20 5 FEBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295998539 553086847 /nfs/dbraw/zinc/08/68/47/553086847.db2.gz XMSCATCQWHEONA-INIZCTEOSA-N 1 0 362.474 2.149 20 5 FEBDRO CO[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296286065 553135000 /nfs/dbraw/zinc/13/50/00/553135000.db2.gz ZFGGGMQYVCKDGY-OAHLLOKOSA-N 1 0 356.444 2.115 20 5 FEBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296669224 553195953 /nfs/dbraw/zinc/19/59/53/553195953.db2.gz KQCLAXGSUSEWOV-KRWDZBQOSA-N 1 0 351.403 2.290 20 5 FEBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296849647 553219996 /nfs/dbraw/zinc/21/99/96/553219996.db2.gz FPMUCGXPYCNNQM-QGZVFWFLSA-N 1 0 373.457 2.045 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855135 561627996 /nfs/dbraw/zinc/62/79/96/561627996.db2.gz JNOVKKNKCYTXHF-OUCADQQQSA-N 1 0 351.403 2.071 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000297063408 553248886 /nfs/dbraw/zinc/24/88/86/553248886.db2.gz UZUZPVLKNUGIKV-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000297272221 553271840 /nfs/dbraw/zinc/27/18/40/553271840.db2.gz UQKXLBKKCYMTNO-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000297392518 553286774 /nfs/dbraw/zinc/28/67/74/553286774.db2.gz FESMYMFRFHRHCQ-CQSZACIVSA-N 1 0 372.425 2.310 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000297721250 553330007 /nfs/dbraw/zinc/33/00/07/553330007.db2.gz BKEUKMJYPFJROV-CYBMUJFWSA-N 1 0 362.430 2.080 20 5 FEBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297776007 553337391 /nfs/dbraw/zinc/33/73/91/553337391.db2.gz GKTGOOYTMQPEMB-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297894357 553354146 /nfs/dbraw/zinc/35/41/46/553354146.db2.gz OIZXROYILMGFLU-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000297939392 553359943 /nfs/dbraw/zinc/35/99/43/553359943.db2.gz RVPRZPZTIBFBIP-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+]2CCCCC2)cc1 ZINC000503496537 561642830 /nfs/dbraw/zinc/64/28/30/561642830.db2.gz KKOPMHRESHTJJI-INIZCTEOSA-N 1 0 373.413 2.284 20 5 FEBDRO CC(C)C(=O)NC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000298750026 553467809 /nfs/dbraw/zinc/46/78/09/553467809.db2.gz MNJAKPBSYCRFCT-UHFFFAOYSA-N 1 0 362.430 2.160 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000298797516 553474393 /nfs/dbraw/zinc/47/43/93/553474393.db2.gz DRXODPMQDVISRE-LSDHHAIUSA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000298797510 553474446 /nfs/dbraw/zinc/47/44/46/553474446.db2.gz DRXODPMQDVISRE-HUUCEWRRSA-N 1 0 374.441 2.235 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000298860567 553481896 /nfs/dbraw/zinc/48/18/96/553481896.db2.gz QKYXNOAQONPTJG-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298935284 553491900 /nfs/dbraw/zinc/49/19/00/553491900.db2.gz FPOQNKVILJFDIO-UHFFFAOYSA-N 1 0 371.441 2.255 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000299210405 553531287 /nfs/dbraw/zinc/53/12/87/553531287.db2.gz GTVLPJOUVLDFGJ-LJQANCHMSA-N 1 0 374.441 2.094 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000299296904 553543896 /nfs/dbraw/zinc/54/38/96/553543896.db2.gz MRBNZYOSDBUDQF-HOCLYGCPSA-N 1 0 374.441 2.235 20 5 FEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000504008786 561651795 /nfs/dbraw/zinc/65/17/95/561651795.db2.gz QFXGXEAHLHQBHW-UHFFFAOYSA-N 1 0 361.439 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000299374881 553554745 /nfs/dbraw/zinc/55/47/45/553554745.db2.gz SDMUGGUBLRVRAJ-ZIAGYGMSSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299397957 553557868 /nfs/dbraw/zinc/55/78/68/553557868.db2.gz DGEVFSNNTVHVII-QGZVFWFLSA-N 1 0 371.441 2.443 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000299640215 553594272 /nfs/dbraw/zinc/59/42/72/553594272.db2.gz IKNVJQOZFYVOMA-UHFFFAOYSA-N 1 0 364.421 2.022 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277139 553638630 /nfs/dbraw/zinc/63/86/30/553638630.db2.gz ZEILLNJCAAPZDG-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO Cn1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000301301056 553640213 /nfs/dbraw/zinc/64/02/13/553640213.db2.gz UXTCDYDRQQEOAL-UHFFFAOYSA-N 1 0 365.444 2.051 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301367342 553645652 /nfs/dbraw/zinc/64/56/52/553645652.db2.gz RKDLJXBFYXWWFD-UAGQMJEPSA-N 1 0 370.453 2.408 20 5 FEBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccc(Cl)cc1 ZINC000301475833 553654246 /nfs/dbraw/zinc/65/42/46/553654246.db2.gz NXSHMVXPAQEBKG-CQSZACIVSA-N 1 0 363.805 2.457 20 5 FEBDRO Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302692355 553726415 /nfs/dbraw/zinc/72/64/15/553726415.db2.gz RXNLHYJEPVKTEV-LLVKDONJSA-N 1 0 358.236 2.433 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+](Cc2ccccc2)C1 ZINC000324065944 553770976 /nfs/dbraw/zinc/77/09/76/553770976.db2.gz XCNZAUHHUSHTMZ-AWEZNQCLSA-N 1 0 369.425 2.166 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000330665128 554153123 /nfs/dbraw/zinc/15/31/23/554153123.db2.gz VFBXDKVMUZGPGL-KGLIPLIRSA-N 1 0 357.863 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330879785 554182421 /nfs/dbraw/zinc/18/24/21/554182421.db2.gz AYPLQHKYWMNOBO-KBPBESRZSA-N 1 0 355.460 2.254 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331299030 554243580 /nfs/dbraw/zinc/24/35/80/554243580.db2.gz OHFAPFOCEBWNBT-LLVKDONJSA-N 1 0 361.851 2.399 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509011819 561781477 /nfs/dbraw/zinc/78/14/77/561781477.db2.gz COAUQSXWHFXBIS-LBPRGKRZSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331865090 554333843 /nfs/dbraw/zinc/33/38/43/554333843.db2.gz GANSUAZADGLYFF-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331881158 554337614 /nfs/dbraw/zinc/33/76/14/554337614.db2.gz IMGPTBAZMNFOFN-IUODEOHRSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954555 554351755 /nfs/dbraw/zinc/35/17/55/554351755.db2.gz TUTFEBGKHFKLGG-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332013179 554363469 /nfs/dbraw/zinc/36/34/69/554363469.db2.gz PMRKIGYUJSSYSB-GXFFZTMASA-N 1 0 355.341 2.362 20 5 FEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000332381720 554435463 /nfs/dbraw/zinc/43/54/63/554435463.db2.gz HEPIGTYIOOJQNC-KSSFIOAISA-N 1 0 350.438 2.192 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332436587 554445885 /nfs/dbraw/zinc/44/58/85/554445885.db2.gz YMZDLXVLHGPANP-SWLSCSKDSA-N 1 0 353.444 2.323 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508731 554458642 /nfs/dbraw/zinc/45/86/42/554458642.db2.gz HAPKHESIZUIDPI-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510523263 561837533 /nfs/dbraw/zinc/83/75/33/561837533.db2.gz LLPSPFZUMUCXAA-ACJLOTCBSA-N 1 0 359.430 2.216 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000510539992 561838416 /nfs/dbraw/zinc/83/84/16/561838416.db2.gz UBSUIYPBDIMUKW-BBRMVZONSA-N 1 0 367.471 2.405 20 5 FEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510555707 561838632 /nfs/dbraw/zinc/83/86/32/561838632.db2.gz WJOXSYOOLNCGPC-WBMJQRKESA-N 1 0 358.398 2.425 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000510550335 561838662 /nfs/dbraw/zinc/83/86/62/561838662.db2.gz FYODNKGMKYHBSN-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000510665371 561842620 /nfs/dbraw/zinc/84/26/20/561842620.db2.gz NRYWVWBBZCZXRP-CZUORRHYSA-N 1 0 373.450 2.381 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000510739025 561844904 /nfs/dbraw/zinc/84/49/04/561844904.db2.gz BHZUTSBWNMBNCX-GFCCVEGCSA-N 1 0 363.414 2.382 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350926549 554823105 /nfs/dbraw/zinc/82/31/05/554823105.db2.gz MLHBMSHOEBLEMY-UHFFFAOYSA-N 1 0 373.413 2.048 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000360850901 554892575 /nfs/dbraw/zinc/89/25/75/554892575.db2.gz OUZPRFUBCCXATB-SFHVURJKSA-N 1 0 350.415 2.288 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153630 554906746 /nfs/dbraw/zinc/90/67/46/554906746.db2.gz JJAGIKPQWHVNQE-CQSZACIVSA-N 1 0 366.849 2.147 20 5 FEBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCCn4c5cc([N+](=O)[O-])ccc5oc4=O)[C@H]1[C@H]3C2 ZINC000511650445 561876177 /nfs/dbraw/zinc/87/61/77/561876177.db2.gz WJVVKSMNZFSJQF-VCMWWZGJSA-N 1 0 373.409 2.248 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000363074902 555024496 /nfs/dbraw/zinc/02/44/96/555024496.db2.gz CQPOOYIHVDAWLC-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363258707 555065702 /nfs/dbraw/zinc/06/57/02/555065702.db2.gz IHVFWLAQKSLEAV-WBTNSWJXSA-N 1 0 358.442 2.338 20 5 FEBDRO CCC[C@@]1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCOC1 ZINC000512260588 561897635 /nfs/dbraw/zinc/89/76/35/561897635.db2.gz NLSIJPLSBPDTLX-QGZVFWFLSA-N 1 0 351.403 2.481 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000364071434 555244487 /nfs/dbraw/zinc/24/44/87/555244487.db2.gz FOHGGCIVDCNHJK-NVXWUHKLSA-N 1 0 362.430 2.275 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000364221272 555273372 /nfs/dbraw/zinc/27/33/72/555273372.db2.gz NNXDEMBCDGQNDC-HNNXBMFYSA-N 1 0 371.441 2.317 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232892 555275463 /nfs/dbraw/zinc/27/54/63/555275463.db2.gz BVABDDNYMDRRRU-STQMWFEESA-N 1 0 351.378 2.421 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000364308405 555288734 /nfs/dbraw/zinc/28/87/34/555288734.db2.gz XABFMCOPYJGARC-LSDHHAIUSA-N 1 0 359.357 2.309 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2cccnc2)n1 ZINC000364328430 555292156 /nfs/dbraw/zinc/29/21/56/555292156.db2.gz NJDCKSTXOTWYMM-MRXNPFEDSA-N 1 0 367.413 2.424 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335442 555293407 /nfs/dbraw/zinc/29/34/07/555293407.db2.gz IZOYVHLDZYWNKK-ZBFHGGJFSA-N 1 0 361.358 2.070 20 5 FEBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000512389078 561903140 /nfs/dbraw/zinc/90/31/40/561903140.db2.gz FKLWNLJIRYOAIU-ZDUSSCGKSA-N 1 0 363.439 2.386 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364508899 555326473 /nfs/dbraw/zinc/32/64/73/555326473.db2.gz LFSREYRDUUCDHS-INIZCTEOSA-N 1 0 353.386 2.034 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581406 555344623 /nfs/dbraw/zinc/34/46/23/555344623.db2.gz QHKQLYDTKNMWBP-HRCADAONSA-N 1 0 359.426 2.468 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364586998 555345530 /nfs/dbraw/zinc/34/55/30/555345530.db2.gz NAZMWSMFBIZAGC-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000512449384 561905364 /nfs/dbraw/zinc/90/53/64/561905364.db2.gz GIPAUHIMHRHLSL-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364674186 555370647 /nfs/dbraw/zinc/37/06/47/555370647.db2.gz JEECYFPEJYCRSL-SJORKVTESA-N 1 0 369.425 2.057 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364743350 555391943 /nfs/dbraw/zinc/39/19/43/555391943.db2.gz QBJYTMYGULOYLJ-IAGOWNOFSA-N 1 0 360.414 2.086 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC([NH2+]C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000364785351 555402030 /nfs/dbraw/zinc/40/20/30/555402030.db2.gz CBIWTLYYLNMQLM-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000364855652 555416240 /nfs/dbraw/zinc/41/62/40/555416240.db2.gz IRHDFHRHWILMGQ-OAHLLOKOSA-N 1 0 364.450 2.012 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000365427274 555572483 /nfs/dbraw/zinc/57/24/83/555572483.db2.gz ZAKSVXKTOMERRV-ZFWWWQNUSA-N 1 0 365.434 2.123 20 5 FEBDRO O=C1[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccccc1 ZINC000365505768 555593623 /nfs/dbraw/zinc/59/36/23/555593623.db2.gz CRXORGWZJKTQRK-MRXNPFEDSA-N 1 0 355.398 2.234 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)nn3C)C2)cc1[N+](=O)[O-] ZINC000365534747 555602000 /nfs/dbraw/zinc/60/20/00/555602000.db2.gz OTNHDHDVIDBYCH-HNNXBMFYSA-N 1 0 359.430 2.404 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365542653 555603847 /nfs/dbraw/zinc/60/38/47/555603847.db2.gz ATAYXVVNSNCWPR-GWCFXTLKSA-N 1 0 360.336 2.044 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365867253 555687843 /nfs/dbraw/zinc/68/78/43/555687843.db2.gz KVPNTWIRPWLALN-XJKSGUPXSA-N 1 0 364.471 2.045 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cc([N+](=O)[O-])c1N ZINC000365887379 555692826 /nfs/dbraw/zinc/69/28/26/555692826.db2.gz WPQDIORNEMLNBI-UHFFFAOYSA-N 1 0 372.385 2.379 20 5 FEBDRO CC(C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[NH+]1CCCCC1 ZINC000365928802 555703453 /nfs/dbraw/zinc/70/34/53/555703453.db2.gz POYPMWBREALELP-KRWDZBQOSA-N 1 0 363.462 2.465 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000366146010 555764597 /nfs/dbraw/zinc/76/45/97/555764597.db2.gz UNGSYHOMYGUBIN-UHFFFAOYSA-N 1 0 369.425 2.164 20 5 FEBDRO Cc1sc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000366434878 555842327 /nfs/dbraw/zinc/84/23/27/555842327.db2.gz ZLSHVZNHMFDIFS-OUCADQQQSA-N 1 0 353.444 2.288 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000366440185 555844174 /nfs/dbraw/zinc/84/41/74/555844174.db2.gz PJCCHYWSBHBCMC-NJAFHUGGSA-N 1 0 361.442 2.238 20 5 FEBDRO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]12 ZINC000366478518 555855917 /nfs/dbraw/zinc/85/59/17/555855917.db2.gz FCCOHQOFPLFMNW-OCCSQVGLSA-N 1 0 371.418 2.418 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1SC ZINC000366555343 555874822 /nfs/dbraw/zinc/87/48/22/555874822.db2.gz MPHODHUNLQAPDV-AWEZNQCLSA-N 1 0 351.428 2.197 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243054 561965456 /nfs/dbraw/zinc/96/54/56/561965456.db2.gz XFQCFCGKAQGXDW-RAIGVLPGSA-N 1 0 351.403 2.408 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000366942128 555977549 /nfs/dbraw/zinc/97/75/49/555977549.db2.gz XFAXUVRLYOEQKP-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000514603314 561969282 /nfs/dbraw/zinc/96/92/82/561969282.db2.gz BRHHZCJWBJSVRT-HOCLYGCPSA-N 1 0 360.458 2.397 20 5 FEBDRO Cc1c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332856 556020513 /nfs/dbraw/zinc/02/05/13/556020513.db2.gz JUVSWTURYIUUMT-CRAIPNDOSA-N 1 0 360.414 2.214 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000514812587 561981002 /nfs/dbraw/zinc/98/10/02/561981002.db2.gz SDCMMOOIZIOHIQ-UHFFFAOYSA-N 1 0 351.451 2.058 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000367886533 556165055 /nfs/dbraw/zinc/16/50/55/556165055.db2.gz PXKCXIHJAMVNIT-INIZCTEOSA-N 1 0 363.458 2.123 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000367885514 556165131 /nfs/dbraw/zinc/16/51/31/556165131.db2.gz LUXJDIHKWIWMSI-FZMZJTMJSA-N 1 0 373.862 2.401 20 5 FEBDRO O=C(NC[C@@H]1CN(C2CC2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368028243 556198747 /nfs/dbraw/zinc/19/87/47/556198747.db2.gz ZPIWDSCTXXTWDT-GOSISDBHSA-N 1 0 374.441 2.132 20 5 FEBDRO Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515054517 561994111 /nfs/dbraw/zinc/99/41/11/561994111.db2.gz YXBSLAQKPMPESJ-YSVLISHTSA-N 1 0 369.425 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1F ZINC000368185441 556242248 /nfs/dbraw/zinc/24/22/48/556242248.db2.gz SNAKKARKIGNETM-CYBMUJFWSA-N 1 0 371.434 2.053 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000368213053 556250387 /nfs/dbraw/zinc/25/03/87/556250387.db2.gz RXJHTWCXQQBYRH-UHFFFAOYSA-N 1 0 362.474 2.326 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C1CC1)C1CC[NH2+]CC1 ZINC000368557174 556344607 /nfs/dbraw/zinc/34/46/07/556344607.db2.gz OQBMYONMINXXAR-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368841919 556427516 /nfs/dbraw/zinc/42/75/16/556427516.db2.gz HVYGKYGPCYWLJD-CQSZACIVSA-N 1 0 359.386 2.118 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000369077232 556498820 /nfs/dbraw/zinc/49/88/20/556498820.db2.gz MGIFOLVIOKSKJQ-HIFRSBDPSA-N 1 0 373.862 2.449 20 5 FEBDRO Cc1ccc(CC2(O)CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000369376544 556584614 /nfs/dbraw/zinc/58/46/14/556584614.db2.gz WTIXSPDJXHSRQP-UHFFFAOYSA-N 1 0 371.437 2.135 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000369431722 556599078 /nfs/dbraw/zinc/59/90/78/556599078.db2.gz BLRFLOWCICHJQN-JSGCOSHPSA-N 1 0 373.413 2.183 20 5 FEBDRO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369530845 556622595 /nfs/dbraw/zinc/62/25/95/556622595.db2.gz ILVLYGHTMCLBDY-SQNIBIBYSA-N 1 0 350.415 2.288 20 5 FEBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818461 556703684 /nfs/dbraw/zinc/70/36/84/556703684.db2.gz HBCBTRYYMLDKGO-MAUKXSAKSA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCOC2=O)CC1 ZINC000370088038 556777653 /nfs/dbraw/zinc/77/76/53/556777653.db2.gz ZQANJODQMQSKGD-UHFFFAOYSA-N 1 0 361.398 2.261 20 5 FEBDRO COCCC[N@@H+]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000370168822 556800235 /nfs/dbraw/zinc/80/02/35/556800235.db2.gz ITKJARWBNFJRQN-UHFFFAOYSA-N 1 0 367.446 2.026 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000370826901 556980949 /nfs/dbraw/zinc/98/09/49/556980949.db2.gz OMBGMCXPEZMLNV-XPKDYRNWSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CCC2 ZINC000370951752 557026025 /nfs/dbraw/zinc/02/60/25/557026025.db2.gz AQJQJAVFTQAARX-CYBMUJFWSA-N 1 0 364.427 2.264 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992074 557038783 /nfs/dbraw/zinc/03/87/83/557038783.db2.gz MOYFJYFGDYXCQZ-KBPBESRZSA-N 1 0 363.414 2.290 20 5 FEBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052991 557059989 /nfs/dbraw/zinc/05/99/89/557059989.db2.gz JUFBBVGYMNENFI-JJRVBVJISA-N 1 0 369.425 2.255 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517235587 562081601 /nfs/dbraw/zinc/08/16/01/562081601.db2.gz PCPJMGDXMSCBFX-VXGBXAGGSA-N 1 0 373.862 2.258 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000517236506 562081787 /nfs/dbraw/zinc/08/17/87/562081787.db2.gz YQCONKAKQUOWMW-NVXWUHKLSA-N 1 0 352.431 2.113 20 5 FEBDRO COc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000371349439 557155695 /nfs/dbraw/zinc/15/56/95/557155695.db2.gz ISQZTNMGDGNGIC-UKRRQHHQSA-N 1 0 366.437 2.205 20 5 FEBDRO Cn1ccnc1[C@@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000371504175 557202549 /nfs/dbraw/zinc/20/25/49/557202549.db2.gz CXIBNHMLQWRNOQ-INIZCTEOSA-N 1 0 355.398 2.055 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000517658968 562094947 /nfs/dbraw/zinc/09/49/47/562094947.db2.gz GNFPLQJVTAKVCM-OAHLLOKOSA-N 1 0 368.455 2.117 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000517732221 562096698 /nfs/dbraw/zinc/09/66/98/562096698.db2.gz SLDCKLFKYRSVCK-JOYOIKCWSA-N 1 0 371.340 2.029 20 5 FEBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372107388 557381236 /nfs/dbraw/zinc/38/12/36/557381236.db2.gz IXTSWLUWUVQDBV-IKGGRYGDSA-N 1 0 369.425 2.242 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000518889076 562120395 /nfs/dbraw/zinc/12/03/95/562120395.db2.gz XQRRQDUOYUVLQZ-GFCCVEGCSA-N 1 0 358.398 2.309 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000372330125 557441864 /nfs/dbraw/zinc/44/18/64/557441864.db2.gz JSNUYUSIXRZDPV-CQSZACIVSA-N 1 0 361.358 2.415 20 5 FEBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000372346172 557445976 /nfs/dbraw/zinc/44/59/76/557445976.db2.gz MIFHWLOIXMQATD-OAHLLOKOSA-N 1 0 357.414 2.036 20 5 FEBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000372346168 557446170 /nfs/dbraw/zinc/44/61/70/557446170.db2.gz MIFHWLOIXMQATD-HNNXBMFYSA-N 1 0 357.414 2.036 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](n4cncn4)C3)o2)c1 ZINC000372476531 557480862 /nfs/dbraw/zinc/48/08/62/557480862.db2.gz YUSHSZMXMBUGOE-OAHLLOKOSA-N 1 0 354.370 2.331 20 5 FEBDRO Cc1ccn2c(c1)nnc2C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372509876 557488937 /nfs/dbraw/zinc/48/89/37/557488937.db2.gz YUWHKFYIROOLOA-UHFFFAOYSA-N 1 0 355.402 2.022 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000519650493 562138582 /nfs/dbraw/zinc/13/85/82/562138582.db2.gz JFBIDFFAHTZVLK-DYEKYZERSA-N 1 0 355.460 2.151 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000373381594 557683325 /nfs/dbraw/zinc/68/33/25/557683325.db2.gz DAVKOLKESVYZFT-CYBMUJFWSA-N 1 0 353.444 2.232 20 5 FEBDRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581452 557722333 /nfs/dbraw/zinc/72/23/33/557722333.db2.gz FDJKYXMLILNBLV-HNNXBMFYSA-N 1 0 373.413 2.466 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000373609113 557728807 /nfs/dbraw/zinc/72/88/07/557728807.db2.gz GBRDQLPUQAJKDB-FUHWJXTLSA-N 1 0 355.398 2.124 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1c(Cl)cccc1[N+](=O)[O-])C2=O ZINC000520576670 562159373 /nfs/dbraw/zinc/15/93/73/562159373.db2.gz OUJMDKVWWCLCRD-MGPLVRAMSA-N 1 0 366.805 2.188 20 5 FEBDRO CN1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000374347998 557869252 /nfs/dbraw/zinc/86/92/52/557869252.db2.gz DTUMYXCWTPOYOA-CQSZACIVSA-N 1 0 365.386 2.199 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000374505717 557892423 /nfs/dbraw/zinc/89/24/23/557892423.db2.gz OGJJSIXQPRWABF-UHOFOFEASA-N 1 0 360.414 2.055 20 5 FEBDRO C[N@@H+]1CCCC12CCN(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000374609034 557906183 /nfs/dbraw/zinc/90/61/83/557906183.db2.gz DTJMARVINYNPQT-UHFFFAOYSA-N 1 0 358.442 2.044 20 5 FEBDRO COc1cccc(CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000374613298 557906818 /nfs/dbraw/zinc/90/68/18/557906818.db2.gz OJHUUJMXRCTPRH-GOSISDBHSA-N 1 0 374.441 2.116 20 5 FEBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641897 557911095 /nfs/dbraw/zinc/91/10/95/557911095.db2.gz BHCZYNLHJINPJJ-ACJLOTCBSA-N 1 0 372.381 2.420 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)CC2 ZINC000374902264 557948425 /nfs/dbraw/zinc/94/84/25/557948425.db2.gz XTEWRACXUMAHER-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389379 558019688 /nfs/dbraw/zinc/01/96/88/558019688.db2.gz GKGKHUZZZQLMRK-HNNXBMFYSA-N 1 0 358.398 2.458 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000375403404 558021425 /nfs/dbraw/zinc/02/14/25/558021425.db2.gz MLZPBEBVGBGOJO-MRXNPFEDSA-N 1 0 369.425 2.408 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3ncnn3-c3ccccc3)C2)c1 ZINC000375612968 558056895 /nfs/dbraw/zinc/05/68/95/558056895.db2.gz PGEJILNPIVRVCB-OAHLLOKOSA-N 1 0 353.386 2.209 20 5 FEBDRO CC(C)n1nc2c(cc1=O)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000375864047 558091016 /nfs/dbraw/zinc/09/10/16/558091016.db2.gz ZFEYUVCZMDUHAU-UHFFFAOYSA-N 1 0 358.398 2.170 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000376013256 558113516 /nfs/dbraw/zinc/11/35/16/558113516.db2.gz HCVUWAFAQOIWHT-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([N+](=O)[O-])c1 ZINC000376767064 558219076 /nfs/dbraw/zinc/21/90/76/558219076.db2.gz GPIZIODVMDSIRC-CZUORRHYSA-N 1 0 365.386 2.160 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416649 562198275 /nfs/dbraw/zinc/19/82/75/562198275.db2.gz MCQAGSRQTVFPGT-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH+](C)CCOc1cccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000522571636 562200005 /nfs/dbraw/zinc/20/00/05/562200005.db2.gz GBFAFNSJCLKLQR-UHFFFAOYSA-N 1 0 361.402 2.106 20 5 FEBDRO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378073178 558475192 /nfs/dbraw/zinc/47/51/92/558475192.db2.gz FRYMABGIXKFSIT-LJQANCHMSA-N 1 0 374.485 2.154 20 5 FEBDRO Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000378265660 558515221 /nfs/dbraw/zinc/51/52/21/558515221.db2.gz VIECPWMPYWJJSN-SNVBAGLBSA-N 1 0 370.818 2.160 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000378318640 558528699 /nfs/dbraw/zinc/52/86/99/558528699.db2.gz XPQMALVRPIYQMM-HKUYNNGSSA-N 1 0 357.410 2.345 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000408005043 558637433 /nfs/dbraw/zinc/63/74/33/558637433.db2.gz OGAHGAGQJDXPBC-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1SC ZINC000524774629 562234473 /nfs/dbraw/zinc/23/44/73/562234473.db2.gz RUPHTYWACNBAOU-LLVKDONJSA-N 1 0 353.444 2.397 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000525291465 562245158 /nfs/dbraw/zinc/24/51/58/562245158.db2.gz HXOPUIKUYZGTNP-OAHLLOKOSA-N 1 0 360.458 2.269 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000411250011 558860647 /nfs/dbraw/zinc/86/06/47/558860647.db2.gz XXUKOGXGXGZINI-IHETXDGRSA-N 1 0 361.442 2.314 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279091 558866991 /nfs/dbraw/zinc/86/69/91/558866991.db2.gz PFLVKCZAYSOJFJ-JSGCOSHPSA-N 1 0 361.320 2.311 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000411666196 558939234 /nfs/dbraw/zinc/93/92/34/558939234.db2.gz MEKRABIHBRJDNR-QGZVFWFLSA-N 1 0 370.409 2.472 20 5 FEBDRO O=C(CC[N@@H+](CCO)[C@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000411672742 558940832 /nfs/dbraw/zinc/94/08/32/558940832.db2.gz VWJKPPZLFXLMST-ZDUSSCGKSA-N 1 0 353.444 2.113 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000411730081 558951907 /nfs/dbraw/zinc/95/19/07/558951907.db2.gz HFDVGUNIJZWXNF-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776843 558960701 /nfs/dbraw/zinc/96/07/01/558960701.db2.gz YFAITWJXSRKYFA-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1F ZINC000412038854 559005509 /nfs/dbraw/zinc/00/55/09/559005509.db2.gz JCYIVFLZZDPVBY-ZDUSSCGKSA-N 1 0 365.405 2.372 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158604 559017563 /nfs/dbraw/zinc/01/75/63/559017563.db2.gz IBDYPVAFBTWPIX-QWHCGFSZSA-N 1 0 365.405 2.370 20 5 FEBDRO C[C@@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000412383574 559032504 /nfs/dbraw/zinc/03/25/04/559032504.db2.gz LRJBUMVWQVUEBB-JTQLQIEISA-N 1 0 362.352 2.482 20 5 FEBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199039 559152788 /nfs/dbraw/zinc/15/27/88/559152788.db2.gz YSKAOPJZVPXHPV-SJLPKXTDSA-N 1 0 364.442 2.472 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000414528029 559170154 /nfs/dbraw/zinc/17/01/54/559170154.db2.gz NUEHYXXCHNYSBV-CYBMUJFWSA-N 1 0 350.346 2.314 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000414654412 559177425 /nfs/dbraw/zinc/17/74/25/559177425.db2.gz JJPBCFRBIXZOGD-GOEBONIOSA-N 1 0 356.382 2.481 20 5 FEBDRO CCOc1cc(N2CCN(C[C@@H]([NH3+])CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000414755044 559185257 /nfs/dbraw/zinc/18/52/57/559185257.db2.gz ONTJDHPCAORQHW-HNNXBMFYSA-N 1 0 350.463 2.489 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@H]1C[NH2+]CCC1(F)F ZINC000414947699 559196736 /nfs/dbraw/zinc/19/67/36/559196736.db2.gz LDDCEBSQGVMKBR-JTQLQIEISA-N 1 0 366.271 2.315 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000415594797 559253769 /nfs/dbraw/zinc/25/37/69/559253769.db2.gz GMEZYFSRERZTJT-CQSZACIVSA-N 1 0 364.402 2.329 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415604843 559254649 /nfs/dbraw/zinc/25/46/49/559254649.db2.gz WNRQBQYUGMSDTP-CQSZACIVSA-N 1 0 364.402 2.199 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415657144 559258889 /nfs/dbraw/zinc/25/88/89/559258889.db2.gz JRHYKUOJFWQXMT-WCQYABFASA-N 1 0 362.430 2.088 20 5 FEBDRO Cc1c(NC(=O)N2CC[C@@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415659057 559259083 /nfs/dbraw/zinc/25/90/83/559259083.db2.gz OARQZEKNNWPNRG-VIFPVBQESA-N 1 0 357.208 2.478 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699618 559263322 /nfs/dbraw/zinc/26/33/22/559263322.db2.gz JRCNXVVRNFSOIZ-VIFPVBQESA-N 1 0 357.208 2.478 20 5 FEBDRO COc1ccc(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1[N+](=O)[O-] ZINC000415968693 559285723 /nfs/dbraw/zinc/28/57/23/559285723.db2.gz XYWROZSMKWTTMI-CYBMUJFWSA-N 1 0 371.397 2.136 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416374561 559308259 /nfs/dbraw/zinc/30/82/59/559308259.db2.gz UBJXLUYGVYFBHV-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416410216 559310879 /nfs/dbraw/zinc/31/08/79/559310879.db2.gz DZNSHZZKNNOUSO-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416414984 559311443 /nfs/dbraw/zinc/31/14/43/559311443.db2.gz HARJVWKQRAUQQD-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417179167 559351633 /nfs/dbraw/zinc/35/16/33/559351633.db2.gz LWZKQUNBCWZCGS-DLBZAZTESA-N 1 0 370.409 2.158 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417191710 559352252 /nfs/dbraw/zinc/35/22/52/559352252.db2.gz ZTEOUGHGMOHUBS-INIZCTEOSA-N 1 0 362.430 2.277 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417394100 559360531 /nfs/dbraw/zinc/36/05/31/559360531.db2.gz VFDZZEWCMIOOBX-WCQYABFASA-N 1 0 356.373 2.241 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417764014 559375583 /nfs/dbraw/zinc/37/55/83/559375583.db2.gz LJXGJNJVANBWRJ-KRWDZBQOSA-N 1 0 354.410 2.324 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000417953154 559383695 /nfs/dbraw/zinc/38/36/95/559383695.db2.gz YTSPLNCUBXDGIQ-ZWKOTPCHSA-N 1 0 354.410 2.274 20 5 FEBDRO CCCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000420295458 559479070 /nfs/dbraw/zinc/47/90/70/559479070.db2.gz PGKDIYUGHOPQFB-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO COc1ccc(NC(=O)CN[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420361154 559482948 /nfs/dbraw/zinc/48/29/48/559482948.db2.gz MTCMIXVASKEQJG-OAHLLOKOSA-N 1 0 350.419 2.039 20 5 FEBDRO CCOc1ccc(NC(=O)CN[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420368363 559483485 /nfs/dbraw/zinc/48/34/85/559483485.db2.gz WQUMLBCOPLFUPQ-INIZCTEOSA-N 1 0 364.446 2.429 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421014312 559519554 /nfs/dbraw/zinc/51/95/54/559519554.db2.gz KIYGAKGESZPIJV-AWEZNQCLSA-N 1 0 365.430 2.417 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421019885 559520033 /nfs/dbraw/zinc/52/00/33/559520033.db2.gz QGYWGTRLKVTADA-AWEZNQCLSA-N 1 0 365.430 2.417 20 5 FEBDRO C[C@@H]1C[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+] ZINC000422642542 559599737 /nfs/dbraw/zinc/59/97/37/559599737.db2.gz ZNYUVUZARBPDPG-MCIONIFRSA-N 1 0 362.430 2.198 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423963137 559648176 /nfs/dbraw/zinc/64/81/76/559648176.db2.gz FFWJLVQNARPWIP-GDBMZVCRSA-N 1 0 369.425 2.385 20 5 FEBDRO CCOc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423977527 559648864 /nfs/dbraw/zinc/64/88/64/559648864.db2.gz PUNHCJXAPJPJHB-JKSUJKDBSA-N 1 0 355.394 2.479 20 5 FEBDRO CCOc1cc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000423987971 559649206 /nfs/dbraw/zinc/64/92/06/559649206.db2.gz XDZDINYKJCCHRE-PIGZYNQJSA-N 1 0 351.403 2.059 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423990257 559649435 /nfs/dbraw/zinc/64/94/35/559649435.db2.gz CGGWVPNAQIECBT-KRWDZBQOSA-N 1 0 369.377 2.168 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000424009350 559650666 /nfs/dbraw/zinc/65/06/66/559650666.db2.gz XXMMIGZGZZQUCJ-HZPDHXFCSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000424084213 559654275 /nfs/dbraw/zinc/65/42/75/559654275.db2.gz XTYUEVPJSCABNC-ZDUSSCGKSA-N 1 0 357.366 2.142 20 5 FEBDRO [NH3+]C1(c2noc(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CCCCC1 ZINC000424343505 559661756 /nfs/dbraw/zinc/66/17/56/559661756.db2.gz JRDYAIQNYMATIC-UHFFFAOYSA-N 1 0 360.370 2.458 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425278394 559694529 /nfs/dbraw/zinc/69/45/29/559694529.db2.gz STTQNGRPLBORAD-MAUKXSAKSA-N 1 0 366.421 2.404 20 5 FEBDRO CN(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000425391675 559699633 /nfs/dbraw/zinc/69/96/33/559699633.db2.gz DYASYNIDNUUDAH-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO COCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000425954748 559725913 /nfs/dbraw/zinc/72/59/13/559725913.db2.gz XASOBTSPFYZIPL-CABCVRRESA-N 1 0 352.435 2.308 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(=NC3CC[NH+](Cc4ccccn4)CC3)[nH]c2c1 ZINC000427989926 559767141 /nfs/dbraw/zinc/76/71/41/559767141.db2.gz HQCIYYOQELEKTM-UHFFFAOYSA-N 1 0 352.398 2.365 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000428976933 559787256 /nfs/dbraw/zinc/78/72/56/559787256.db2.gz IFOKKOILPYZLGS-NWDGAFQWSA-N 1 0 351.403 2.120 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226494 559793244 /nfs/dbraw/zinc/79/32/44/559793244.db2.gz KUHYNZYOHGYBOC-CXAGYDPISA-N 1 0 353.378 2.163 20 5 FEBDRO C[NH2+]C1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000429378003 559797203 /nfs/dbraw/zinc/79/72/03/559797203.db2.gz OFHKTHOSBCIJEQ-UHFFFAOYSA-N 1 0 359.329 2.029 20 5 FEBDRO O=C(C[NH2+]CC1CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000429791126 559805685 /nfs/dbraw/zinc/80/56/85/559805685.db2.gz HVTIXTJXWWCHEP-UHFFFAOYSA-N 1 0 360.336 2.141 20 5 FEBDRO Cc1ccn(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(=O)c1[N+](=O)[O-] ZINC000430146973 559814226 /nfs/dbraw/zinc/81/42/26/559814226.db2.gz KIIXCNPFVGHGPE-QGZVFWFLSA-N 1 0 357.410 2.356 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430618580 559824958 /nfs/dbraw/zinc/82/49/58/559824958.db2.gz VKRRLHFWZWWGAP-DOMZBBRYSA-N 1 0 350.419 2.134 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000430824400 559828725 /nfs/dbraw/zinc/82/87/25/559828725.db2.gz BCAPUNQBJNGMJZ-HUUCEWRRSA-N 1 0 351.451 2.117 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000432525781 559860304 /nfs/dbraw/zinc/86/03/04/559860304.db2.gz KBUIJQKWQIUNEO-SJKOYZFVSA-N 1 0 371.441 2.184 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCO1 ZINC000432543494 559860644 /nfs/dbraw/zinc/86/06/44/559860644.db2.gz UIILJGUFQRYCCP-ZDUSSCGKSA-N 1 0 360.414 2.307 20 5 FEBDRO CCn1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000433211486 559873858 /nfs/dbraw/zinc/87/38/58/559873858.db2.gz ZAQBHFRRMTUHCP-UHFFFAOYSA-N 1 0 367.409 2.467 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000437593151 559966614 /nfs/dbraw/zinc/96/66/14/559966614.db2.gz TXMVYHVPJMCGNW-UKPHBRMFSA-N 1 0 372.425 2.400 20 5 FEBDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000439470932 559994766 /nfs/dbraw/zinc/99/47/66/559994766.db2.gz PWEFNJVGXGKVBA-SUMWQHHRSA-N 1 0 350.419 2.235 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440951816 560020003 /nfs/dbraw/zinc/02/00/03/560020003.db2.gz SQPROZVFYYFRAT-USXIJHARSA-N 1 0 350.415 2.366 20 5 FEBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000442625135 560053820 /nfs/dbraw/zinc/05/38/20/560053820.db2.gz SNOMHXGVRIZDKC-NSHDSACASA-N 1 0 370.247 2.487 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000443382525 560082621 /nfs/dbraw/zinc/08/26/21/560082621.db2.gz IOUVUFHGPCEHFO-ZFWWWQNUSA-N 1 0 362.430 2.173 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000443382514 560082660 /nfs/dbraw/zinc/08/26/60/560082660.db2.gz IOUVUFHGPCEHFO-DZGCQCFKSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000443886147 560095390 /nfs/dbraw/zinc/09/53/90/560095390.db2.gz BXIQYVHVOAVVRW-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCC1 ZINC000445262310 560131683 /nfs/dbraw/zinc/13/16/83/560131683.db2.gz IIDYAMUDCDXBGR-GFCCVEGCSA-N 1 0 360.418 2.002 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCCO)cc2)n1 ZINC000447572700 560164762 /nfs/dbraw/zinc/16/47/62/560164762.db2.gz DCWOEIJGFHUEJL-IAGOWNOFSA-N 1 0 360.414 2.436 20 5 FEBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1F ZINC000449098326 560215866 /nfs/dbraw/zinc/21/58/66/560215866.db2.gz IRXGTWZROPWLKG-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449275466 560223093 /nfs/dbraw/zinc/22/30/93/560223093.db2.gz MPYNVVHKFXLLLY-HXUWFJFHSA-N 1 0 351.406 2.411 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000449319497 560225093 /nfs/dbraw/zinc/22/50/93/560225093.db2.gz KCYAINSZUQDOEO-IUODEOHRSA-N 1 0 361.364 2.379 20 5 FEBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000449562953 560233610 /nfs/dbraw/zinc/23/36/10/560233610.db2.gz PPDCFXSFJGYMNG-HWWDLCQESA-N 1 0 352.394 2.155 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449567128 560233677 /nfs/dbraw/zinc/23/36/77/560233677.db2.gz ULNOPDXYJWRICD-OAHLLOKOSA-N 1 0 365.430 2.063 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931146 560245591 /nfs/dbraw/zinc/24/55/91/560245591.db2.gz NWWPSJHCIVUFDP-DZGCQCFKSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1nc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450492078 560264028 /nfs/dbraw/zinc/26/40/28/560264028.db2.gz ZBQGWMKAFMYWNH-HNNXBMFYSA-N 1 0 359.455 2.723 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450892547 560276925 /nfs/dbraw/zinc/27/69/25/560276925.db2.gz OSOYXUUUIVPJSY-CYBMUJFWSA-N 1 0 352.822 2.039 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451483937 560309676 /nfs/dbraw/zinc/30/96/76/560309676.db2.gz YVRPRORTBARDDR-CSMYWGQOSA-N 1 0 363.414 2.335 20 5 FEBDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483389 560309718 /nfs/dbraw/zinc/30/97/18/560309718.db2.gz DTTFIUPVOQBIHY-WMLDXEAASA-N 1 0 365.386 2.055 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451557828 560314681 /nfs/dbraw/zinc/31/46/81/560314681.db2.gz FKEQCGNUHWEOOE-KRWDZBQOSA-N 1 0 374.485 2.375 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451604933 560316990 /nfs/dbraw/zinc/31/69/90/560316990.db2.gz ZJHKSEDECVZVGA-KGLIPLIRSA-N 1 0 360.370 2.466 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451900729 560335665 /nfs/dbraw/zinc/33/56/65/560335665.db2.gz LYXYDIONWJMENK-GOSISDBHSA-N 1 0 361.398 2.395 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451920871 560337387 /nfs/dbraw/zinc/33/73/87/560337387.db2.gz YIQLIAHMIGEHHZ-HZPDHXFCSA-N 1 0 360.458 2.251 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000453417744 560386286 /nfs/dbraw/zinc/38/62/86/560386286.db2.gz CIJISGIQASYKGW-KCXAZCMYSA-N 1 0 360.414 2.055 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000454142027 560432032 /nfs/dbraw/zinc/43/20/32/560432032.db2.gz HRBCQGQPTZIZCK-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000454868874 560461562 /nfs/dbraw/zinc/46/15/62/560461562.db2.gz FJTNYOAQJGOAKB-UHFFFAOYSA-N 1 0 351.451 2.472 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455245268 560475352 /nfs/dbraw/zinc/47/53/52/560475352.db2.gz LFLQEUBCJRIKJA-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455672507 560491296 /nfs/dbraw/zinc/49/12/96/560491296.db2.gz NFIASLZTGIJIMS-OAHLLOKOSA-N 1 0 369.425 2.426 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456335248 560515925 /nfs/dbraw/zinc/51/59/25/560515925.db2.gz AHWSQFOHWFXHJQ-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000456344645 560516239 /nfs/dbraw/zinc/51/62/39/560516239.db2.gz RSPPUDGJVVLYSX-CQSZACIVSA-N 1 0 370.409 2.290 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346303 560516460 /nfs/dbraw/zinc/51/64/60/560516460.db2.gz SVCTUPRNJZQNKX-CQSZACIVSA-N 1 0 371.441 2.474 20 5 FEBDRO COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@@H]2[NH3+])cc1F ZINC000457373311 560564162 /nfs/dbraw/zinc/56/41/62/560564162.db2.gz JYFUKSCZTONGHP-JSGCOSHPSA-N 1 0 362.361 2.028 20 5 FEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)[C@H]1[NH3+] ZINC000457375605 560564254 /nfs/dbraw/zinc/56/42/54/560564254.db2.gz XZUWQBAWEPLSKN-YHAQOWFVSA-N 1 0 370.247 2.484 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000458171895 560606721 /nfs/dbraw/zinc/60/67/21/560606721.db2.gz BCYNGVONUJDIEA-AWEZNQCLSA-N 1 0 372.425 2.370 20 5 FEBDRO CC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514622 560628730 /nfs/dbraw/zinc/62/87/30/560628730.db2.gz RDSLLUHZOHEBQD-IAGOWNOFSA-N 1 0 364.446 2.192 20 5 FEBDRO CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514712 560628876 /nfs/dbraw/zinc/62/88/76/560628876.db2.gz RLIWCSKMIAYFGW-WBVHZDCISA-N 1 0 364.446 2.192 20 5 FEBDRO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459505672 560690618 /nfs/dbraw/zinc/69/06/18/560690618.db2.gz IXNNVEDKIFOHLZ-CRAIPNDOSA-N 1 0 356.426 2.276 20 5 FEBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000459704882 560703356 /nfs/dbraw/zinc/70/33/56/560703356.db2.gz MKXREACAUPMGBT-HNAYVOBHSA-N 1 0 357.410 2.148 20 5 FEBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000459760863 560706762 /nfs/dbraw/zinc/70/67/62/560706762.db2.gz URRZCARBUVOGPE-CQSZACIVSA-N 1 0 362.382 2.183 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000460930068 560756153 /nfs/dbraw/zinc/75/61/53/560756153.db2.gz DRYXDEXYBDPQDY-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127702 560904130 /nfs/dbraw/zinc/90/41/30/560904130.db2.gz HZEHGVMPXSHDCJ-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@H]1CCCO1 ZINC000467149198 560904983 /nfs/dbraw/zinc/90/49/83/560904983.db2.gz RYBTZRVBVIJBBR-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000470173358 560976092 /nfs/dbraw/zinc/97/60/92/560976092.db2.gz BJDVEOKPKJLAFR-QINSGFPZSA-N 1 0 361.442 2.209 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000470182506 560976283 /nfs/dbraw/zinc/97/62/83/560976283.db2.gz HTJXZRPNSCTGCE-KAMYIIQDSA-N 1 0 367.471 2.354 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000471544253 561006849 /nfs/dbraw/zinc/00/68/49/561006849.db2.gz YZPIZAJFEDSCTD-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000471575500 561007599 /nfs/dbraw/zinc/00/75/99/561007599.db2.gz XUTBGEJSNUMPAC-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472724367 561033836 /nfs/dbraw/zinc/03/38/36/561033836.db2.gz NYVCNBCVGZJKSM-UHFFFAOYSA-N 1 0 368.409 2.253 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000473285929 561046535 /nfs/dbraw/zinc/04/65/35/561046535.db2.gz ZOJAJAIQHOPHIC-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473353260 561048151 /nfs/dbraw/zinc/04/81/51/561048151.db2.gz VGPNEIDORUEYMJ-UHFFFAOYSA-N 1 0 373.388 2.280 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000473997903 561063258 /nfs/dbraw/zinc/06/32/58/561063258.db2.gz YEWKXPCAZPLSKE-CYBMUJFWSA-N 1 0 352.387 2.194 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000476389238 561118266 /nfs/dbraw/zinc/11/82/66/561118266.db2.gz WKTBXXJQIPCZIY-UHFFFAOYSA-N 1 0 357.414 2.065 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000476587334 561123564 /nfs/dbraw/zinc/12/35/64/561123564.db2.gz IJVAKIPDHGXSLG-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000531190371 562437672 /nfs/dbraw/zinc/43/76/72/562437672.db2.gz RGJHCTIMSJJPLP-KGLIPLIRSA-N 1 0 351.451 2.267 20 5 FEBDRO NS(=O)(=O)c1c(NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000531381126 562444037 /nfs/dbraw/zinc/44/40/37/562444037.db2.gz PFUWNNPHESGILG-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000531768990 562456055 /nfs/dbraw/zinc/45/60/55/562456055.db2.gz COXQJSAGBADKAY-KBPBESRZSA-N 1 0 361.398 2.346 20 5 FEBDRO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000532574673 562482023 /nfs/dbraw/zinc/48/20/23/562482023.db2.gz IDSAWFIQHPOIFY-CYBMUJFWSA-N 1 0 352.822 2.355 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535701514 562564585 /nfs/dbraw/zinc/56/45/85/562564585.db2.gz PMXAQSSPFWLOPS-CYBMUJFWSA-N 1 0 360.414 2.259 20 5 FEBDRO CN1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602873863 568009741 /nfs/dbraw/zinc/00/97/41/568009741.db2.gz MOQPQHPBFMUFDW-INIZCTEOSA-N 1 0 369.487 2.031 20 5 FEBDRO CC[N@H+]1[C@H](C)CN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874054 568009776 /nfs/dbraw/zinc/00/97/76/568009776.db2.gz NQZQDLAUUWXIQT-HZSPNIEDSA-N 1 0 364.446 2.345 20 5 FEBDRO CCC[C@@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568685790 568122587 /nfs/dbraw/zinc/12/25/87/568122587.db2.gz FQKMWKKVBIXHAA-GFCCVEGCSA-N 1 0 364.183 2.450 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000568903666 568250872 /nfs/dbraw/zinc/25/08/72/568250872.db2.gz PONVRFNRBCIPDG-OAHLLOKOSA-N 1 0 365.430 2.080 20 5 FEBDRO CS(=O)(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000569072306 568270613 /nfs/dbraw/zinc/27/06/13/568270613.db2.gz CJEXEXFKOXEWTB-NEXFUWMNSA-N 1 0 370.475 2.220 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(O)Cc3ccccc3C2)n1 ZINC000569542724 568406743 /nfs/dbraw/zinc/40/67/43/568406743.db2.gz AUTIRLBXBKFEHR-SJORKVTESA-N 1 0 356.426 2.395 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@H]1C ZINC000584716727 568511442 /nfs/dbraw/zinc/51/14/42/568511442.db2.gz MMKCTMATEDLMDQ-KGLIPLIRSA-N 1 0 362.430 2.303 20 5 FEBDRO C[C@@H]1CC[C@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000557727243 674462889 /nfs/dbraw/zinc/46/28/89/674462889.db2.gz GXQCWCUHHUDHIH-TZMCWYRMSA-N 1 0 370.475 2.035 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000809860344 674517760 /nfs/dbraw/zinc/51/77/60/674517760.db2.gz LUMHHECXGWFQRJ-GFCCVEGCSA-N 1 0 361.439 2.441 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810180554 674535685 /nfs/dbraw/zinc/53/56/85/674535685.db2.gz BCHIXGXOTHAGSC-QGZVFWFLSA-N 1 0 353.394 2.432 20 5 FEBDRO CC1CC[NH+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820722815 607168694 /nfs/dbraw/zinc/16/86/94/607168694.db2.gz PFIFDLPQADSEMT-UHFFFAOYSA-N 1 0 360.422 2.094 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283500 608554154 /nfs/dbraw/zinc/55/41/54/608554154.db2.gz SJGMMOBDJOMSPU-YVEFUNNKSA-N 1 0 368.397 2.468 20 5 FEBDRO Cc1c(Br)c(=O)n(CCCc2cncn2C)cc1[N+](=O)[O-] ZINC000563438864 674889019 /nfs/dbraw/zinc/88/90/19/674889019.db2.gz HSOOYWNNWMVVMM-UHFFFAOYSA-N 1 0 355.192 2.194 20 5 FEBDRO C[C@@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000564845607 675067392 /nfs/dbraw/zinc/06/73/92/675067392.db2.gz UYMNZRJCGVSVNR-HNNXBMFYSA-N 1 0 369.487 2.080 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816928868 675087279 /nfs/dbraw/zinc/08/72/79/675087279.db2.gz UCJYRYIFDSIPBX-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047144456 670235095 /nfs/dbraw/zinc/23/50/95/670235095.db2.gz BHSQVGUGDDOJBT-NSHDSACASA-N 1 0 350.375 2.416 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000816950191 675089830 /nfs/dbraw/zinc/08/98/30/675089830.db2.gz MZKFCBOCARPTIF-UFBFGSQYSA-N 1 0 372.194 2.273 20 5 FEBDRO CC(C)Oc1nc(N2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000565225024 675103758 /nfs/dbraw/zinc/10/37/58/675103758.db2.gz QFIQAFQMQMMMMH-AWEZNQCLSA-N 1 0 350.419 2.078 20 5 FEBDRO COc1ccc(C(=O)NCC2(SC)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000570208662 670678967 /nfs/dbraw/zinc/67/89/67/670678967.db2.gz BBHRSAGGNOXVOT-UHFFFAOYSA-N 1 0 353.444 2.161 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1Cl)C2=O ZINC000571082430 670813610 /nfs/dbraw/zinc/81/36/10/670813610.db2.gz PDRRRNMUWMPTCK-BZNIZROVSA-N 1 0 366.805 2.188 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000572182547 670970730 /nfs/dbraw/zinc/97/07/30/670970730.db2.gz DUGGYLBGFUUXKT-CQSZACIVSA-N 1 0 359.473 2.071 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000572356814 670992158 /nfs/dbraw/zinc/99/21/58/670992158.db2.gz WZSCZOHBHUITKI-LSDHHAIUSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(C)cc1[N+](=O)[O-] ZINC000573863503 671174592 /nfs/dbraw/zinc/17/45/92/671174592.db2.gz RVOULAHHQLBMOC-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000574323221 671226845 /nfs/dbraw/zinc/22/68/45/671226845.db2.gz ZJQLWKKQLDNEIU-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000566224689 675195865 /nfs/dbraw/zinc/19/58/65/675195865.db2.gz YSATYLQJFMQOHX-UHFFFAOYSA-N 1 0 359.423 2.264 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000576744188 671391238 /nfs/dbraw/zinc/39/12/38/671391238.db2.gz CBUBDOKPLNAYFD-ZDUSSCGKSA-N 1 0 353.444 2.056 20 5 FEBDRO CS(=O)(=O)c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000608909214 675906864 /nfs/dbraw/zinc/90/68/64/675906864.db2.gz BNYPHERHMHVUNH-UHFFFAOYSA-N 1 0 359.367 2.323 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000609135401 675911600 /nfs/dbraw/zinc/91/16/00/675911600.db2.gz ILXOGTIFYWXJNN-LBPRGKRZSA-N 1 0 351.403 2.215 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1O ZINC000578636813 671679133 /nfs/dbraw/zinc/67/91/33/671679133.db2.gz GKBAXOHWIBRLNW-CYBMUJFWSA-N 1 0 352.387 2.127 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC[N@H+](C)CC2)c1 ZINC000609623988 675929574 /nfs/dbraw/zinc/92/95/74/675929574.db2.gz KSQIHHZFLKIOCE-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848337 675939002 /nfs/dbraw/zinc/93/90/02/675939002.db2.gz BOWRMHJMBPWCSI-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H](C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000579946889 671772079 /nfs/dbraw/zinc/77/20/79/671772079.db2.gz DPEQWIDHQSFISU-VIFPVBQESA-N 1 0 369.365 2.048 20 5 FEBDRO CS[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000580209940 671790537 /nfs/dbraw/zinc/79/05/37/671790537.db2.gz SEAKJKSHVPUGET-CVEARBPZSA-N 1 0 366.487 2.209 20 5 FEBDRO CC1(C)C[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000580423043 671806195 /nfs/dbraw/zinc/80/61/95/671806195.db2.gz CHZKKQFUUJUSJI-ZDUSSCGKSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000123935084 671987711 /nfs/dbraw/zinc/98/77/11/671987711.db2.gz CFHBQOPNPNGMPB-JTQLQIEISA-N 1 0 361.851 2.318 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000130078638 672070568 /nfs/dbraw/zinc/07/05/68/672070568.db2.gz BWFSDPQQUFQOJN-UHFFFAOYSA-N 1 0 353.394 2.273 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610577004 675982549 /nfs/dbraw/zinc/98/25/49/675982549.db2.gz STMQAPGZKPJGIK-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175087594 672365357 /nfs/dbraw/zinc/36/53/57/672365357.db2.gz UOEBDBOXJZTASD-GFCCVEGCSA-N 1 0 355.822 2.335 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611205177 676024816 /nfs/dbraw/zinc/02/48/16/676024816.db2.gz LECINOVIYUEPMP-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1ccncc1CCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000589174637 672512062 /nfs/dbraw/zinc/51/20/62/672512062.db2.gz FBKTZGVODAURAC-UHFFFAOYSA-N 1 0 363.439 2.294 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939061 672549416 /nfs/dbraw/zinc/54/94/16/672549416.db2.gz NPVKHZYLZVEJLZ-IINYFYTJSA-N 1 0 362.304 2.302 20 5 FEBDRO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012806 672554638 /nfs/dbraw/zinc/55/46/38/672554638.db2.gz YURUNEINACZSCT-GWCFXTLKSA-N 1 0 357.357 2.341 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000590165379 672562930 /nfs/dbraw/zinc/56/29/30/672562930.db2.gz MWLMOHOMARCUPC-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000590447668 672583411 /nfs/dbraw/zinc/58/34/11/672583411.db2.gz ZCRQIEAYFWQJBQ-ZANVPECISA-N 1 0 354.204 2.133 20 5 FEBDRO COc1cc(CN[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591278442 672664480 /nfs/dbraw/zinc/66/44/80/672664480.db2.gz BUXXSGLYMLEZEG-LBPRGKRZSA-N 1 0 359.373 2.479 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591356396 672675793 /nfs/dbraw/zinc/67/57/93/672675793.db2.gz PVJKIAAKTPYAJI-FZMZJTMJSA-N 1 0 352.822 2.184 20 5 FEBDRO COc1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000591448455 672681984 /nfs/dbraw/zinc/68/19/84/672681984.db2.gz ICXQBVGVFPVGFK-CMPLNLGQSA-N 1 0 357.357 2.389 20 5 FEBDRO CC1(C)C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000591678061 672701109 /nfs/dbraw/zinc/70/11/09/672701109.db2.gz HQCJICFEFPSXGQ-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000194345783 672756994 /nfs/dbraw/zinc/75/69/94/672756994.db2.gz QHQVBARMSKTBLP-NEPJUHHUSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000246298721 672834676 /nfs/dbraw/zinc/83/46/76/672834676.db2.gz BVFTWMBHHUUIEB-UPJWGTAASA-N 1 0 373.450 2.379 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593067240 672871140 /nfs/dbraw/zinc/87/11/40/672871140.db2.gz IIVZUNUKDUAKBP-CYBMUJFWSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[N@H+](CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000593626621 672962182 /nfs/dbraw/zinc/96/21/82/672962182.db2.gz BUZAWOWBIBGMCS-UHFFFAOYSA-N 1 0 370.475 2.313 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027709 673022234 /nfs/dbraw/zinc/02/22/34/673022234.db2.gz YPWOIYUAUNUGIT-MAUKXSAKSA-N 1 0 350.415 2.368 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594102681 673031663 /nfs/dbraw/zinc/03/16/63/673031663.db2.gz PLEITBHCRNSHJI-XBXGTLAGSA-N 1 0 367.471 2.403 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594484360 673088727 /nfs/dbraw/zinc/08/87/27/673088727.db2.gz QJUOVQVGWIICJW-KBPBESRZSA-N 1 0 357.407 2.029 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000595051734 673189524 /nfs/dbraw/zinc/18/95/24/673189524.db2.gz WBZQCEXZBVFENG-JSGCOSHPSA-N 1 0 371.459 2.068 20 5 FEBDRO CS(=O)(=O)CC1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595061619 673190177 /nfs/dbraw/zinc/19/01/77/673190177.db2.gz SORFEPPFDAAJOS-KGLIPLIRSA-N 1 0 370.475 2.080 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595116664 673196183 /nfs/dbraw/zinc/19/61/83/673196183.db2.gz XHDDZNWAMPJNAZ-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294903 673218082 /nfs/dbraw/zinc/21/80/82/673218082.db2.gz UHYSGJZAAUYCJR-OCCSQVGLSA-N 1 0 353.394 2.097 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410397 673245727 /nfs/dbraw/zinc/24/57/27/673245727.db2.gz LMOJGDRMCCOGLD-OAHLLOKOSA-N 1 0 367.471 2.136 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000462504610 673255919 /nfs/dbraw/zinc/25/59/19/673255919.db2.gz UMFBLQQHAVAZOF-MWLCHTKSSA-N 1 0 361.851 2.318 20 5 FEBDRO COC(=O)C1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000730107652 673262520 /nfs/dbraw/zinc/26/25/20/673262520.db2.gz RAOZJOWZFOPCCR-UHFFFAOYSA-N 1 0 350.371 2.187 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462584263 673266106 /nfs/dbraw/zinc/26/61/06/673266106.db2.gz ZUMFFSFDCJRWGX-HNNXBMFYSA-N 1 0 367.471 2.446 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595597761 673271557 /nfs/dbraw/zinc/27/15/57/673271557.db2.gz UWXDIGFPVGYCCU-QGZVFWFLSA-N 1 0 350.415 2.261 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595618293 673273888 /nfs/dbraw/zinc/27/38/88/673273888.db2.gz XDQRTMGHAAJNQR-GFCCVEGCSA-N 1 0 360.357 2.498 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1N1CCOCC1 ZINC000596091090 673357899 /nfs/dbraw/zinc/35/78/99/673357899.db2.gz HLIKLHBGNDOXHA-LBPRGKRZSA-N 1 0 350.394 2.219 20 5 FEBDRO COc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596103254 673358984 /nfs/dbraw/zinc/35/89/84/673358984.db2.gz BIXUITAPYYRWFG-NSHDSACASA-N 1 0 370.837 2.256 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@H](C)CN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596123791 673361253 /nfs/dbraw/zinc/36/12/53/673361253.db2.gz QCSIBSAIZPUEDN-LLVKDONJSA-N 1 0 370.837 2.083 20 5 FEBDRO C[NH+]1CCC(CNc2c(Cl)cncc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000596138532 673362635 /nfs/dbraw/zinc/36/26/35/673362635.db2.gz LJRUJGXHNGBSRF-UHFFFAOYSA-N 1 0 367.881 2.427 20 5 FEBDRO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000596178490 673365467 /nfs/dbraw/zinc/36/54/67/673365467.db2.gz JIFSGLCJUFTPRZ-JSGCOSHPSA-N 1 0 353.854 2.105 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@@H]2CCCC[N@@H+]2CCO)ccc1[N+](=O)[O-] ZINC000596250508 673371725 /nfs/dbraw/zinc/37/17/25/673371725.db2.gz RTVIKOSRCOFSLC-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596359690 673379592 /nfs/dbraw/zinc/37/95/92/673379592.db2.gz BZWMCSXGEBRPHE-NSHDSACASA-N 1 0 352.464 2.283 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000596422117 673384089 /nfs/dbraw/zinc/38/40/89/673384089.db2.gz AHRHGUWQHOLNBP-CQSZACIVSA-N 1 0 362.817 2.244 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000596565801 673394114 /nfs/dbraw/zinc/39/41/14/673394114.db2.gz GDSLBJVSCOZPJT-LBPRGKRZSA-N 1 0 373.251 2.299 20 5 FEBDRO C[C@@H](Cc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000537970290 673415801 /nfs/dbraw/zinc/41/58/01/673415801.db2.gz OZBBFVHGQAEWDA-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)C1 ZINC000734484955 673464650 /nfs/dbraw/zinc/46/46/50/673464650.db2.gz OCMPKZDVQXBKPT-CQSZACIVSA-N 1 0 361.471 2.421 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274957 673481960 /nfs/dbraw/zinc/48/19/60/673481960.db2.gz BRDIZTIFLNYWLU-KGLIPLIRSA-N 1 0 358.320 2.436 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000597926037 673518529 /nfs/dbraw/zinc/51/85/29/673518529.db2.gz ZUJJFJCJSABFHX-LBPRGKRZSA-N 1 0 367.471 2.282 20 5 FEBDRO CC1(C)CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000540142854 673525574 /nfs/dbraw/zinc/52/55/74/673525574.db2.gz ABAOLDWYJXXESS-HNNXBMFYSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000737252177 673557268 /nfs/dbraw/zinc/55/72/68/673557268.db2.gz QYISUVDXWUSPRR-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1SC ZINC000598572858 673584914 /nfs/dbraw/zinc/58/49/14/673584914.db2.gz LXFVEHXUUVYFJT-LBPRGKRZSA-N 1 0 353.444 2.395 20 5 FEBDRO COC(=O)c1ccnc(NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598591181 673587243 /nfs/dbraw/zinc/58/72/43/673587243.db2.gz VGFYELPURRKEEP-UHFFFAOYSA-N 1 0 350.419 2.700 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598600453 673588127 /nfs/dbraw/zinc/58/81/27/673588127.db2.gz FKKOEMKMTHBRHR-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668480 673596481 /nfs/dbraw/zinc/59/64/81/673596481.db2.gz UOIWKXQABJHWPL-LKFCYVNXSA-N 1 0 354.204 2.311 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714912 673602607 /nfs/dbraw/zinc/60/26/07/673602607.db2.gz KFYCLMXEORKFTN-RISCZKNCSA-N 1 0 355.460 2.350 20 5 FEBDRO COc1ccc(F)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000598730474 673604031 /nfs/dbraw/zinc/60/40/31/673604031.db2.gz WBDVWNSRMXYCNK-CYBMUJFWSA-N 1 0 350.346 2.272 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855285 673610634 /nfs/dbraw/zinc/61/06/34/673610634.db2.gz COWWBDOGJUDUAM-BXKDBHETSA-N 1 0 355.341 2.409 20 5 FEBDRO COc1cc(C[NH2+]CC2CCN(CC(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000598918412 673621080 /nfs/dbraw/zinc/62/10/80/673621080.db2.gz BAJXIWFCSNHIOC-UHFFFAOYSA-N 1 0 359.373 2.376 20 5 FEBDRO NS(=O)(=O)c1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000599127997 673635279 /nfs/dbraw/zinc/63/52/79/673635279.db2.gz UAQIEGQDYRQUKC-AWEZNQCLSA-N 1 0 368.459 2.061 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000740894708 673660073 /nfs/dbraw/zinc/66/00/73/673660073.db2.gz VSHLHQCEXPCIAZ-NWDGAFQWSA-N 1 0 359.423 2.227 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599390510 673668297 /nfs/dbraw/zinc/66/82/97/673668297.db2.gz JAPXEHCRNKRTBY-INIZCTEOSA-N 1 0 367.471 2.421 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1C ZINC000599414246 673672315 /nfs/dbraw/zinc/67/23/15/673672315.db2.gz BTWXUTCMQQNZLD-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1cc(CN2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000599472723 673680445 /nfs/dbraw/zinc/68/04/45/673680445.db2.gz NMZLDKIGOGYORQ-UHFFFAOYSA-N 1 0 353.394 2.039 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1 ZINC000599545402 673690145 /nfs/dbraw/zinc/69/01/45/673690145.db2.gz REKKTDBCTJKYFS-TZMCWYRMSA-N 1 0 356.304 2.316 20 5 FEBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599918918 673727975 /nfs/dbraw/zinc/72/79/75/673727975.db2.gz SZWVETYJRWUUIT-HNNXBMFYSA-N 1 0 354.838 2.430 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000599989555 673732296 /nfs/dbraw/zinc/73/22/96/673732296.db2.gz QHKJZHSSPRRTOY-SKDRFNHKSA-N 1 0 354.204 2.133 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000600212850 673749570 /nfs/dbraw/zinc/74/95/70/673749570.db2.gz IJKMZFWDZWXOEQ-MBSJSRAVSA-N 1 0 367.471 2.259 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2CC(F)(F)F)c1 ZINC000600761529 673797281 /nfs/dbraw/zinc/79/72/81/673797281.db2.gz RPOJIKWZKUTPMS-AWEZNQCLSA-N 1 0 358.320 2.047 20 5 FEBDRO COc1cc(CN[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600777457 673798207 /nfs/dbraw/zinc/79/82/07/673798207.db2.gz UJODETCHLNNXFY-JQWIXIFHSA-N 1 0 359.373 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000601337670 673844640 /nfs/dbraw/zinc/84/46/40/673844640.db2.gz HHBHWEDNVINGDV-JSGCOSHPSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])s1 ZINC000601341492 673845195 /nfs/dbraw/zinc/84/51/95/673845195.db2.gz CYMKZHIBVJQCHK-NWDGAFQWSA-N 1 0 359.473 2.260 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601351787 673846600 /nfs/dbraw/zinc/84/66/00/673846600.db2.gz OWCQJIIZZNTDIJ-PWSUYJOCSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372459 673850412 /nfs/dbraw/zinc/85/04/12/673850412.db2.gz YTWQAANKXQWOMY-NWDGAFQWSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])s1 ZINC000601414966 673858528 /nfs/dbraw/zinc/85/85/28/673858528.db2.gz NNAJXADLQCLGFZ-NWDGAFQWSA-N 1 0 359.473 2.212 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000746571167 673884307 /nfs/dbraw/zinc/88/43/07/673884307.db2.gz SYUDUUVPYILLJZ-CQSZACIVSA-N 1 0 353.394 2.307 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000601968746 673900483 /nfs/dbraw/zinc/90/04/83/673900483.db2.gz GPQJDHUQUZWZDC-GASCZTMLSA-N 1 0 368.231 2.429 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000602169835 673902871 /nfs/dbraw/zinc/90/28/71/673902871.db2.gz HWLHFIUBCGGXNG-GJZGRUSLSA-N 1 0 351.403 2.071 20 5 FEBDRO CNC(=O)[C@H](C)CN(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602482077 673906693 /nfs/dbraw/zinc/90/66/93/673906693.db2.gz FHWLOCQSGDEYQT-SSDOTTSWSA-N 1 0 350.238 2.233 20 5 FEBDRO C[C@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602508999 673907042 /nfs/dbraw/zinc/90/70/42/673907042.db2.gz FFWMOKFVYKZNRD-VHSXEESVSA-N 1 0 356.220 2.414 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(F)F ZINC000602497231 673907098 /nfs/dbraw/zinc/90/70/98/673907098.db2.gz ZXUKYVRKUJUUPI-ZETCQYMHSA-N 1 0 352.135 2.070 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541486 673907672 /nfs/dbraw/zinc/90/76/72/673907672.db2.gz PKJAUZOUZCCBJS-QWHCGFSZSA-N 1 0 359.348 2.431 20 5 FEBDRO C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602569382 673907916 /nfs/dbraw/zinc/90/79/16/673907916.db2.gz QWVFKHFBJLEDJY-SSDOTTSWSA-N 1 0 371.278 2.332 20 5 FEBDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602572744 673908188 /nfs/dbraw/zinc/90/81/88/673908188.db2.gz LZSWCXUBUYNBGV-LLVKDONJSA-N 1 0 353.238 2.296 20 5 FEBDRO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OCCO ZINC000602665156 673908922 /nfs/dbraw/zinc/90/89/22/673908922.db2.gz RIPBGAZOTGBBOD-UHFFFAOYSA-N 1 0 353.238 2.296 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602891173 673913188 /nfs/dbraw/zinc/91/31/88/673913188.db2.gz LPZVTMKTIKHNHF-IRXDYDNUSA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1 ZINC000603231371 673918900 /nfs/dbraw/zinc/91/89/00/673918900.db2.gz OANCUQGRYSCDJQ-JTQLQIEISA-N 1 0 355.320 2.405 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c(C)c1[N+](=O)[O-] ZINC000603383571 673928024 /nfs/dbraw/zinc/92/80/24/673928024.db2.gz OZWFTGWPWUFQGH-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000822486743 675487865 /nfs/dbraw/zinc/48/78/65/675487865.db2.gz CHMABGIQAXNGDS-UHFFFAOYSA-N 1 0 354.382 2.152 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823311053 675544067 /nfs/dbraw/zinc/54/40/67/675544067.db2.gz XHNJYJCNHOZIHX-SNVBAGLBSA-N 1 0 354.382 2.152 20 5 FEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000825197389 675640960 /nfs/dbraw/zinc/64/09/60/675640960.db2.gz WPXZSWRHJIYXFB-IONNQARKSA-N 1 0 360.183 2.354 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1SC ZINC000827318247 675747606 /nfs/dbraw/zinc/74/76/06/675747606.db2.gz FSRJJYVXJOZLIU-WCQYABFASA-N 1 0 365.455 2.492 20 5 FEBDRO CCOC1CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000616131870 676240323 /nfs/dbraw/zinc/24/03/23/676240323.db2.gz BRMIFLSNMJSMKE-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000618583545 676345339 /nfs/dbraw/zinc/34/53/39/676345339.db2.gz VJLATTJQPAIXBJ-HTQZYQBOSA-N 1 0 352.263 2.300 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830452062 677040512 /nfs/dbraw/zinc/04/05/12/677040512.db2.gz XGFVQBVHSZPHEB-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO O=C(CC[N@H+]1CCCC[C@H]1C1(O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839145167 680741493 /nfs/dbraw/zinc/74/14/93/680741493.db2.gz ZKVNKNZQUSHDGZ-HNNXBMFYSA-N 1 0 351.378 2.442 20 5 FEBDRO C[C@@H]1OCC[C@@H]1N(CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589466 680764179 /nfs/dbraw/zinc/76/41/79/680764179.db2.gz MBWLVRONOVMPIH-JQWIXIFHSA-N 1 0 359.220 2.329 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)C1CC1 ZINC000840878444 680848768 /nfs/dbraw/zinc/84/87/68/680848768.db2.gz IBUZZNZYRYQWGF-CJNGLKHVSA-N 1 0 352.456 2.473 20 5 FEBDRO C[NH+](C)CCN(C1CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840952262 680856599 /nfs/dbraw/zinc/85/65/99/680856599.db2.gz JZWORUAUFWEPEE-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272587 679947767 /nfs/dbraw/zinc/94/77/67/679947767.db2.gz OSQATNHQHOAFLR-AWEZNQCLSA-N 1 0 350.375 2.194 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N(CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000911942172 685286330 /nfs/dbraw/zinc/28/63/30/685286330.db2.gz LZAVYGAJLOBPHG-UHFFFAOYSA-N 1 0 355.822 2.085 20 5 FEBDRO CCO[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+](C)C ZINC000831730328 680033899 /nfs/dbraw/zinc/03/38/99/680033899.db2.gz BYSNNJIEXRIEJA-CYBMUJFWSA-N 1 0 355.410 2.094 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000832496390 680140168 /nfs/dbraw/zinc/14/01/68/680140168.db2.gz RVQHFYIKVKECDH-CHWSQXEVSA-N 1 0 350.375 2.332 20 5 FEBDRO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)sn1 ZINC001034817156 680440181 /nfs/dbraw/zinc/44/01/81/680440181.db2.gz ZKAQLZTUVQUPDC-HZPDHXFCSA-N 1 0 360.439 2.023 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1Cl ZINC000836782887 680513312 /nfs/dbraw/zinc/51/33/12/680513312.db2.gz LIRZAVZFZAOUAT-ZDUSSCGKSA-N 1 0 368.865 2.312 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)CCC(F)(F)F ZINC000757611689 680528155 /nfs/dbraw/zinc/52/81/55/680528155.db2.gz HRIWZAJFIMPLAV-UHFFFAOYSA-N 1 0 362.352 2.490 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000838150935 680676243 /nfs/dbraw/zinc/67/62/43/680676243.db2.gz YZTYVLHKTKQJIC-JTQLQIEISA-N 1 0 371.235 2.214 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC000841196499 680868574 /nfs/dbraw/zinc/86/85/74/680868574.db2.gz RLIKKHCZXUUERV-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842486146 680950558 /nfs/dbraw/zinc/95/05/58/680950558.db2.gz SXWMAXSGMVWVOU-KOLCDFICSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000842486293 680950712 /nfs/dbraw/zinc/95/07/12/680950712.db2.gz WZZHSZXFMGQXCN-MNOVXSKESA-N 1 0 361.851 2.162 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC[C@H]1[NH3+] ZINC000842798265 680967776 /nfs/dbraw/zinc/96/77/76/680967776.db2.gz OULCKDSTJQUTFC-WDEREUQCSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000842860006 680971682 /nfs/dbraw/zinc/97/16/82/680971682.db2.gz OUMFMQPYJCVGIA-LLVKDONJSA-N 1 0 361.851 2.449 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000842895712 680974159 /nfs/dbraw/zinc/97/41/59/680974159.db2.gz PIRIDZWKRMWIJV-LLVKDONJSA-N 1 0 361.851 2.367 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843352641 680999224 /nfs/dbraw/zinc/99/92/24/680999224.db2.gz QIBXAQPISDMTEN-TUAOUCFPSA-N 1 0 352.822 2.402 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843352642 680999403 /nfs/dbraw/zinc/99/94/03/680999403.db2.gz QIBXAQPISDMTEN-UTUOFQBUSA-N 1 0 352.822 2.402 20 5 FEBDRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843388063 681000788 /nfs/dbraw/zinc/00/07/88/681000788.db2.gz XEPOUNXRUYWYKJ-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844640211 681069850 /nfs/dbraw/zinc/06/98/50/681069850.db2.gz HFQHXNSXGWAKMO-JLLWLGSASA-N 1 0 350.375 2.365 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845500096 681133083 /nfs/dbraw/zinc/13/30/83/681133083.db2.gz IJOZMHKILKLXHB-CYBMUJFWSA-N 1 0 370.812 2.130 20 5 FEBDRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000846226348 681204294 /nfs/dbraw/zinc/20/42/94/681204294.db2.gz XRUCVUWKZPSAKC-ZBEGNZNMSA-N 1 0 352.822 2.248 20 5 FEBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928617 681330265 /nfs/dbraw/zinc/33/02/65/681330265.db2.gz PRSCDATVXWBKLG-GOEBONIOSA-N 1 0 350.444 2.311 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)n1 ZINC000933711166 681456022 /nfs/dbraw/zinc/45/60/22/681456022.db2.gz BKIGRBRYUGDMSF-SNVBAGLBSA-N 1 0 356.308 2.090 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933872236 681477436 /nfs/dbraw/zinc/47/74/36/681477436.db2.gz MDUSGIFGUMRUPN-RHSMWYFYSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000912812778 685445970 /nfs/dbraw/zinc/44/59/70/685445970.db2.gz AVALEBCVLLPMBS-UKRRQHHQSA-N 1 0 351.451 2.069 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848583434 681583677 /nfs/dbraw/zinc/58/36/77/681583677.db2.gz ZOVMOSBUFZHUEV-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000848601372 681588484 /nfs/dbraw/zinc/58/84/84/681588484.db2.gz BHMIOJCYGHXIJO-UHFFFAOYSA-N 1 0 373.862 2.449 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000848601109 681588770 /nfs/dbraw/zinc/58/87/70/681588770.db2.gz QDNFBOLOHKLGSX-UHFFFAOYSA-N 1 0 352.822 2.390 20 5 FEBDRO Cc1c(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000849112588 681656644 /nfs/dbraw/zinc/65/66/44/681656644.db2.gz WXEBTXCAUQGZSQ-UHFFFAOYSA-N 1 0 351.407 2.042 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849275717 681675129 /nfs/dbraw/zinc/67/51/29/681675129.db2.gz VVYFEFLSNICOIG-ZDUSSCGKSA-N 1 0 353.492 2.153 20 5 FEBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000913535950 685479482 /nfs/dbraw/zinc/47/94/82/685479482.db2.gz AZQWGLKKZJEOAH-BETUJISGSA-N 1 0 368.231 2.205 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000935679654 681799381 /nfs/dbraw/zinc/79/93/81/681799381.db2.gz KYSJZWPLOWQLTP-QGZVFWFLSA-N 1 0 369.849 2.096 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850507608 681909700 /nfs/dbraw/zinc/90/97/00/681909700.db2.gz OXUUPABESYKMJI-SNVBAGLBSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000783921463 682187088 /nfs/dbraw/zinc/18/70/88/682187088.db2.gz SFPRPHVINAKAMV-JTQLQIEISA-N 1 0 350.375 2.334 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1F ZINC000918360000 685538720 /nfs/dbraw/zinc/53/87/20/685538720.db2.gz PDJBRMYMDJTQQD-HOTGVXAUSA-N 1 0 371.434 2.005 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C(F)(F)F ZINC000852762002 682338549 /nfs/dbraw/zinc/33/85/49/682338549.db2.gz FJIOHJWFTVSQLX-JTQLQIEISA-N 1 0 354.716 2.008 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1F ZINC000918368076 685538817 /nfs/dbraw/zinc/53/88/17/685538817.db2.gz CZDPNEWLKUEKPG-HZPDHXFCSA-N 1 0 371.434 2.005 20 5 FEBDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000789557547 682616254 /nfs/dbraw/zinc/61/62/54/682616254.db2.gz KEFXAQLJTFORAE-LBPRGKRZSA-N 1 0 360.395 2.043 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000790448805 682678420 /nfs/dbraw/zinc/67/84/20/682678420.db2.gz CZKLPKHUHLNQBW-HNNXBMFYSA-N 1 0 373.450 2.441 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791063895 682721489 /nfs/dbraw/zinc/72/14/89/682721489.db2.gz ZAJNTVOPLKNDDV-AWEZNQCLSA-N 1 0 350.375 2.353 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791328821 682734998 /nfs/dbraw/zinc/73/49/98/682734998.db2.gz XIXHSCAWJGCEAT-RYUDHWBXSA-N 1 0 352.410 2.414 20 5 FEBDRO Cc1sc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181761 683089862 /nfs/dbraw/zinc/08/98/62/683089862.db2.gz CPOLKCRINCOWQR-ZAUVIXRXSA-N 1 0 367.471 2.174 20 5 FEBDRO CCO[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000921419470 683463401 /nfs/dbraw/zinc/46/34/01/683463401.db2.gz DWVNSLXJVZPWAU-CYBMUJFWSA-N 1 0 358.826 2.014 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823657 683480271 /nfs/dbraw/zinc/48/02/71/683480271.db2.gz AFYPYLFMZOHZRC-JSGCOSHPSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2C1 ZINC000929837001 683645681 /nfs/dbraw/zinc/64/56/81/683645681.db2.gz ZGFHGPQPHRDCKE-AOOOYVTPSA-N 1 0 356.329 2.222 20 5 FEBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000863563978 683742542 /nfs/dbraw/zinc/74/25/42/683742542.db2.gz SAFFSKKCKMYCMC-IYBDPMFKSA-N 1 0 352.822 2.118 20 5 FEBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643423 683760358 /nfs/dbraw/zinc/76/03/58/683760358.db2.gz YDQHAYNXICRMGR-PELKAZGASA-N 1 0 362.167 2.324 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)CN1CCOCC1 ZINC000930863519 683794002 /nfs/dbraw/zinc/79/40/02/683794002.db2.gz OUYVCLZDUXSWAR-AWEZNQCLSA-N 1 0 350.419 2.396 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866229565 684084861 /nfs/dbraw/zinc/08/48/61/684084861.db2.gz LSDSWNRJEZICEV-GFCCVEGCSA-N 1 0 373.450 2.069 20 5 FEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866305695 684090717 /nfs/dbraw/zinc/09/07/17/684090717.db2.gz KDGFGYFHKNWVSD-RISCZKNCSA-N 1 0 373.450 2.396 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000866388072 684097017 /nfs/dbraw/zinc/09/70/17/684097017.db2.gz AQFSHIDZPGRTKM-VIFPVBQESA-N 1 0 372.340 2.232 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000866699792 684136252 /nfs/dbraw/zinc/13/62/52/684136252.db2.gz MXQCZKSBINPLPU-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866827536 684162552 /nfs/dbraw/zinc/16/25/52/684162552.db2.gz ONLSCHDGHBSBCG-VXGBXAGGSA-N 1 0 359.835 2.072 20 5 FEBDRO CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)[C@](C)(C[NH3+])C1 ZINC000923413151 684277940 /nfs/dbraw/zinc/27/79/40/684277940.db2.gz UCTRLCJZSKOZAG-JSGCOSHPSA-N 1 0 358.236 2.295 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518995 684296980 /nfs/dbraw/zinc/29/69/80/684296980.db2.gz ADCOXENSCCETGG-GRYCIOLGSA-N 1 0 352.822 2.117 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518998 684296990 /nfs/dbraw/zinc/29/69/90/684296990.db2.gz ADCOXENSCCETGG-SDDRHHMPSA-N 1 0 352.822 2.117 20 5 FEBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000868002923 684437847 /nfs/dbraw/zinc/43/78/47/684437847.db2.gz ISHZCBJWVBOMMI-SECBINFHSA-N 1 0 356.220 2.475 20 5 FEBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1(C)C ZINC000871156738 684791754 /nfs/dbraw/zinc/79/17/54/684791754.db2.gz LAZUKJPVUMFWCY-UHFFFAOYSA-N 1 0 371.235 2.309 20 5 FEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872062562 684917776 /nfs/dbraw/zinc/91/77/76/684917776.db2.gz NFXJMTOVKHRHQM-CJNGLKHVSA-N 1 0 356.444 2.163 20 5 FEBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[NH2+]1 ZINC000877050251 686318679 /nfs/dbraw/zinc/31/86/79/686318679.db2.gz GWIRYFBJTXSGLK-VXNVDRBHSA-N 1 0 360.183 2.367 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000877334999 686355998 /nfs/dbraw/zinc/35/59/98/686355998.db2.gz GMZIHOHKJQQFGD-GFCCVEGCSA-N 1 0 365.455 2.205 20 5 FEBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000882590766 687404466 /nfs/dbraw/zinc/40/44/66/687404466.db2.gz VESAFMGOOMLZNT-UHFFFAOYSA-N 1 0 353.394 2.282 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882767430 687478856 /nfs/dbraw/zinc/47/88/56/687478856.db2.gz NNSDCLASUARRMK-UHFFFAOYSA-N 1 0 367.471 2.406 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000882767372 687478996 /nfs/dbraw/zinc/47/89/96/687478996.db2.gz LMIBPCGKDSVKMK-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000882769734 687481439 /nfs/dbraw/zinc/48/14/39/687481439.db2.gz KCUGMBSXFQUHFF-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000882814156 687500586 /nfs/dbraw/zinc/50/05/86/687500586.db2.gz DYBHGQWLQRFBJE-UHFFFAOYSA-N 1 0 350.394 2.044 20 5 FEBDRO C[N@H+](CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000883399429 687621965 /nfs/dbraw/zinc/62/19/65/687621965.db2.gz MIVJYUXYKJQPRS-UHFFFAOYSA-N 1 0 371.235 2.251 20 5 FEBDRO CC1(C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH3+] ZINC000884357281 687855950 /nfs/dbraw/zinc/85/59/50/687855950.db2.gz VIZJSMAYNNXLJX-NWDGAFQWSA-N 1 0 356.220 2.142 20 5 FEBDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000884357280 687855955 /nfs/dbraw/zinc/85/59/55/687855955.db2.gz VIZJSMAYNNXLJX-NEPJUHHUSA-N 1 0 356.220 2.142 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1 ZINC000885861322 688171044 /nfs/dbraw/zinc/17/10/44/688171044.db2.gz RVGFULIHRQZQHR-CYBMUJFWSA-N 1 0 365.455 2.300 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885895602 688180872 /nfs/dbraw/zinc/18/08/72/688180872.db2.gz IESGXUKQCJRQTK-CQSZACIVSA-N 1 0 365.455 2.300 20 5 FEBDRO C[C@H](CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000889716279 688810573 /nfs/dbraw/zinc/81/05/73/688810573.db2.gz QSMVRPHVZLGLNX-SNVBAGLBSA-N 1 0 373.251 2.497 20 5 FEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000890882346 688978761 /nfs/dbraw/zinc/97/87/61/688978761.db2.gz LIGNLVGKVPAQKR-UHFFFAOYSA-N 1 0 351.432 2.259 20 5 FEBDRO CO[C@H](C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000895611161 689744043 /nfs/dbraw/zinc/74/40/43/689744043.db2.gz SAUODJNHIRLUBL-BXUZGUMPSA-N 1 0 359.220 2.498 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526367 689885416 /nfs/dbraw/zinc/88/54/16/689885416.db2.gz WKFVSCZWDROEMS-JTQLQIEISA-N 1 0 363.340 2.012 20 5 FEBDRO CN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@H+](C)CC1 ZINC000897094922 689974089 /nfs/dbraw/zinc/97/40/89/689974089.db2.gz OGDPLNWRLJZPIU-UHFFFAOYSA-N 1 0 350.463 2.456 20 5 FEBDRO COc1cc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1 ZINC000903200760 690865502 /nfs/dbraw/zinc/86/55/02/690865502.db2.gz TYVSJTGFPBHUPX-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO CO[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364072 690886373 /nfs/dbraw/zinc/88/63/73/690886373.db2.gz UAWKYAVMIBNVDN-IAGOWNOFSA-N 1 0 368.455 2.156 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905333570 691102310 /nfs/dbraw/zinc/10/23/10/691102310.db2.gz GQVKRDMTRSOHPB-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000905598159 691149042 /nfs/dbraw/zinc/14/90/42/691149042.db2.gz UQVOTYUXUBSGGR-WBVHZDCISA-N 1 0 350.415 2.416 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851768 691182827 /nfs/dbraw/zinc/18/28/27/691182827.db2.gz CXAFETVJXCGZMJ-RCBQFDQVSA-N 1 0 364.471 2.091 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906676774 691300647 /nfs/dbraw/zinc/30/06/47/691300647.db2.gz OKTKCBFVUKZQDP-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626976 719053871 /nfs/dbraw/zinc/05/38/71/719053871.db2.gz SSRHCYMPRRFRHS-AEFFLSMTSA-N 1 0 354.410 2.329 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813104 720073638 /nfs/dbraw/zinc/07/36/38/720073638.db2.gz SMSVRQULBPSWCP-VQIMIIECSA-N 1 0 360.458 2.483 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724901 720359297 /nfs/dbraw/zinc/35/92/97/720359297.db2.gz LNVFPSOCAITKQN-LSDHHAIUSA-N 1 0 370.369 2.146 20 5 FEBDRO Nc1nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164909331 721541346 /nfs/dbraw/zinc/54/13/46/721541346.db2.gz RMJSKYNZDCGVNW-UKRRQHHQSA-N 1 0 373.388 2.053 20 5 FEBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926899 721871388 /nfs/dbraw/zinc/87/13/88/721871388.db2.gz SPIFUNOOEJXMIV-IAGOWNOFSA-N 1 0 355.442 2.358 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926054 721875610 /nfs/dbraw/zinc/87/56/10/721875610.db2.gz QOUADRJXVAWUQK-ZWKOTPCHSA-N 1 0 355.442 2.358 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC000521367171 821238002 /nfs/dbraw/zinc/23/80/02/821238002.db2.gz VCTIFSJFKGXPTA-UHFFFAOYSA-N 1 0 357.414 2.413 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486154754 887225680 /nfs/dbraw/zinc/22/56/80/887225680.db2.gz HIORHALSVXUJBT-UHFFFAOYSA-N 1 0 360.418 2.083 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549407909 674039757 /nfs/dbraw/zinc/03/97/57/674039757.db2.gz HEMYRJLFSGEYFM-NSHDSACASA-N 1 0 357.313 2.206 20 5 FEBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198129 539780367 /nfs/dbraw/zinc/78/03/67/539780367.db2.gz FABFULOAQBMFGP-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000027145005 539801345 /nfs/dbraw/zinc/80/13/45/539801345.db2.gz UCNYNUXKPJHDQS-UHFFFAOYSA-N 1 0 351.403 2.230 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000027970904 539822387 /nfs/dbraw/zinc/82/23/87/539822387.db2.gz MHOWAZPISCAMMO-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO C[N@H+](CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000029526812 539856000 /nfs/dbraw/zinc/85/60/00/539856000.db2.gz KCQOGTYRPVFEDO-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029931539 539868886 /nfs/dbraw/zinc/86/88/86/539868886.db2.gz MEFSJIHKYOAMMR-UHFFFAOYSA-N 1 0 370.409 2.415 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000032732348 539950233 /nfs/dbraw/zinc/95/02/33/539950233.db2.gz USFVDQUIQVHMJL-QWHCGFSZSA-N 1 0 363.414 2.374 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000800827876 674079894 /nfs/dbraw/zinc/07/98/94/674079894.db2.gz DRJRAPPALWKGEC-MRXNPFEDSA-N 1 0 350.488 2.428 20 5 FEBDRO C[NH+]1CCN(c2cc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)ccn2)CC1 ZINC000045845964 540231089 /nfs/dbraw/zinc/23/10/89/540231089.db2.gz CJZNRCWHAKKEJJ-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047105311 540289925 /nfs/dbraw/zinc/28/99/25/540289925.db2.gz RQKFTEQGICJLGN-QZTJIDSGSA-N 1 0 373.457 2.053 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047148630 540292788 /nfs/dbraw/zinc/29/27/88/540292788.db2.gz RVGBCMCXSPFEOD-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1[N+](=O)[O-] ZINC000047523310 540316072 /nfs/dbraw/zinc/31/60/72/540316072.db2.gz GWOVGBWULHPWRA-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000047553043 540317988 /nfs/dbraw/zinc/31/79/88/540317988.db2.gz ZAYZDHSITITGFE-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000055280959 540642758 /nfs/dbraw/zinc/64/27/58/540642758.db2.gz MIPCESSMDSYHMV-LBPRGKRZSA-N 1 0 359.423 2.134 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000056055800 540697058 /nfs/dbraw/zinc/69/70/58/540697058.db2.gz GCGRBOLMGUJWQW-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000056140994 540706466 /nfs/dbraw/zinc/70/64/66/540706466.db2.gz IATAQDIPNKNFTI-AGUYFDCRSA-N 1 0 353.444 2.054 20 5 FEBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC(=O)NCC(F)(F)F ZINC000056195826 540710959 /nfs/dbraw/zinc/71/09/59/540710959.db2.gz GANMACOUKWVZEV-RKDXNWHRSA-N 1 0 362.308 2.022 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000063756305 541183596 /nfs/dbraw/zinc/18/35/96/541183596.db2.gz CXNFDUNTVYWELB-STQMWFEESA-N 1 0 365.430 2.462 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000066396052 541313393 /nfs/dbraw/zinc/31/33/93/541313393.db2.gz VDARQUOMSJOFGW-NFAHFFEMSA-N 1 0 359.426 2.320 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067138597 541423272 /nfs/dbraw/zinc/42/32/72/541423272.db2.gz CUZDOVVIMJUWIH-CQSZACIVSA-N 1 0 374.445 2.416 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000067265313 541437165 /nfs/dbraw/zinc/43/71/65/541437165.db2.gz QPITWNSRSTUBNI-UHFFFAOYSA-N 1 0 372.429 2.026 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000068346329 541580095 /nfs/dbraw/zinc/58/00/95/541580095.db2.gz DBYAQIREPIPEAV-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@@H+](C(C)C)CC1 ZINC000069084095 541654982 /nfs/dbraw/zinc/65/49/82/541654982.db2.gz UHBZIAAJJHBTBT-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1c(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000070745876 541739958 /nfs/dbraw/zinc/73/99/58/541739958.db2.gz NOIQFROMOHJHFN-UHFFFAOYSA-N 1 0 350.375 2.225 20 5 FEBDRO CN(C(=O)CN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000072718766 541856432 /nfs/dbraw/zinc/85/64/32/541856432.db2.gz ZNRQSNLKOIGKTH-MRXNPFEDSA-N 1 0 360.458 2.365 20 5 FEBDRO COCCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796544 541865961 /nfs/dbraw/zinc/86/59/61/541865961.db2.gz ZMASOWQBIFZISJ-CABCVRRESA-N 1 0 365.430 2.215 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072796986 541866418 /nfs/dbraw/zinc/86/64/18/541866418.db2.gz XJHWDZNLAQRAKC-CYBMUJFWSA-N 1 0 362.386 2.130 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053808190 205196789 /nfs/dbraw/zinc/19/67/89/205196789.db2.gz LOWLPOTXBYVEDV-CYBMUJFWSA-N 1 0 359.430 2.455 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000073997214 542024333 /nfs/dbraw/zinc/02/43/33/542024333.db2.gz FYRNGHUFYBMLGY-QWHCGFSZSA-N 1 0 362.386 2.429 20 5 FEBDRO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000074042850 542028805 /nfs/dbraw/zinc/02/88/05/542028805.db2.gz MYQRKTNBIGQHER-UHFFFAOYSA-N 1 0 369.425 2.480 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119532579 206336868 /nfs/dbraw/zinc/33/68/68/206336868.db2.gz JKYHPNWNOUPREJ-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO C[C@@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000075749167 542202349 /nfs/dbraw/zinc/20/23/49/542202349.db2.gz AIUQNMWDVLXJOP-RRQGHBQHSA-N 1 0 362.455 2.331 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000075924258 542215510 /nfs/dbraw/zinc/21/55/10/542215510.db2.gz AXNHIQRLIYIYAY-OLZOCXBDSA-N 1 0 371.459 2.145 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078804644 542481903 /nfs/dbraw/zinc/48/19/03/542481903.db2.gz WFRQSKNFSDKVPN-KRWDZBQOSA-N 1 0 351.447 2.139 20 5 FEBDRO COC1CC[NH+](CCNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000080249751 542578524 /nfs/dbraw/zinc/57/85/24/542578524.db2.gz QGPZLEZMVRKTKC-UHFFFAOYSA-N 1 0 364.446 2.256 20 5 FEBDRO CN(CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080630311 542598830 /nfs/dbraw/zinc/59/88/30/542598830.db2.gz SNLUURPQGWNGSW-MRXNPFEDSA-N 1 0 360.458 2.365 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)c1 ZINC000090537803 542785950 /nfs/dbraw/zinc/78/59/50/542785950.db2.gz OGVBNVKLRJKZRH-UHFFFAOYSA-N 1 0 361.421 2.227 20 5 FEBDRO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000092015025 542838102 /nfs/dbraw/zinc/83/81/02/542838102.db2.gz VTRDSUPVJHTIMH-KRWDZBQOSA-N 1 0 350.415 2.464 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000093001672 542901023 /nfs/dbraw/zinc/90/10/23/542901023.db2.gz TZEQKRVTKSVUDA-WCQYABFASA-N 1 0 359.423 2.003 20 5 FEBDRO CC(=O)c1ccc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000101540009 543030021 /nfs/dbraw/zinc/03/00/21/543030021.db2.gz YCRSGTCPDMQEFO-INIZCTEOSA-N 1 0 362.430 2.152 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000104079793 543123026 /nfs/dbraw/zinc/12/30/26/543123026.db2.gz RDOAQTLAXCYNNC-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO CC(=O)N[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674656 543137124 /nfs/dbraw/zinc/13/71/24/543137124.db2.gz GBFBGKXBSYTZQM-OAHLLOKOSA-N 1 0 358.398 2.393 20 5 FEBDRO Cc1c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000107685366 543275228 /nfs/dbraw/zinc/27/52/28/543275228.db2.gz XEWHKFYDEPPHKD-UHFFFAOYSA-N 1 0 361.442 2.410 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108341963 543287078 /nfs/dbraw/zinc/28/70/78/543287078.db2.gz PMGUUJQUDAUIOW-RYUDHWBXSA-N 1 0 355.822 2.474 20 5 FEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000108376696 543288383 /nfs/dbraw/zinc/28/83/83/543288383.db2.gz IAJFXZFJXLBQEQ-GOSISDBHSA-N 1 0 372.469 2.434 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755338 543336676 /nfs/dbraw/zinc/33/66/76/543336676.db2.gz DBHVAVLQPHGZDZ-SFHVURJKSA-N 1 0 362.474 2.076 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000110355922 543355910 /nfs/dbraw/zinc/35/59/10/543355910.db2.gz DIXKJZFAWNCOOF-AWEZNQCLSA-N 1 0 359.430 2.127 20 5 FEBDRO NS(=O)(=O)c1cc(NCCCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000110599685 543362288 /nfs/dbraw/zinc/36/22/88/543362288.db2.gz RHCUDPFMHNJLRM-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO COc1cc(OCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000116125307 543599719 /nfs/dbraw/zinc/59/97/19/543599719.db2.gz BIEOFHPHYQSBKS-MRXNPFEDSA-N 1 0 367.446 2.465 20 5 FEBDRO CSc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000116451570 543608906 /nfs/dbraw/zinc/60/89/06/543608906.db2.gz AADCGZHFNCCJLK-CQSZACIVSA-N 1 0 367.471 2.139 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123139871 543745022 /nfs/dbraw/zinc/74/50/22/543745022.db2.gz YGXXNBNPKGBKKY-ZWNOBZJWSA-N 1 0 350.375 2.366 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1[N+](=O)[O-] ZINC000124602010 543831468 /nfs/dbraw/zinc/83/14/68/543831468.db2.gz MEFBWSJVZYAZBR-PHIMTYICSA-N 1 0 359.835 2.072 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000124667493 543836344 /nfs/dbraw/zinc/83/63/44/543836344.db2.gz CHYVQKBAHWVQJZ-GUYCJALGSA-N 1 0 357.414 2.335 20 5 FEBDRO CCOC(=O)c1cc(N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000126678573 543950242 /nfs/dbraw/zinc/95/02/42/543950242.db2.gz PMPQZUCPDYLTNZ-UHFFFAOYSA-N 1 0 365.430 2.055 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129076893 544089332 /nfs/dbraw/zinc/08/93/32/544089332.db2.gz RRAJWBLCTLMCBJ-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO COC(=O)C1([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 ZINC000129138933 544092646 /nfs/dbraw/zinc/09/26/46/544092646.db2.gz YNDRUNLPYIPGJC-UHFFFAOYSA-N 1 0 367.377 2.480 20 5 FEBDRO CSc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000133979629 544290228 /nfs/dbraw/zinc/29/02/28/544290228.db2.gz UTPIFIDQDSRTMK-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO CCOc1ccnc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000135765371 544360564 /nfs/dbraw/zinc/36/05/64/544360564.db2.gz FVGRDALTOJSKIJ-UHFFFAOYSA-N 1 0 357.414 2.496 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000136152001 544367889 /nfs/dbraw/zinc/36/78/89/544367889.db2.gz HYOWVOXIRTURBS-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000137566969 544391732 /nfs/dbraw/zinc/39/17/32/544391732.db2.gz BKICMUVXWBKUDV-GFCCVEGCSA-N 1 0 353.444 2.015 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000151161452 544511465 /nfs/dbraw/zinc/51/14/65/544511465.db2.gz WJUSPGUFMKPEKI-OAHLLOKOSA-N 1 0 369.425 2.447 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000152169897 544621025 /nfs/dbraw/zinc/62/10/25/544621025.db2.gz TXDWKJRDRCINOM-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235287 544749719 /nfs/dbraw/zinc/74/97/19/544749719.db2.gz RDXLSWSGZAQYNL-QAPCUYQASA-N 1 0 363.458 2.283 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153652112 544803617 /nfs/dbraw/zinc/80/36/17/544803617.db2.gz JZVBKDHYYVKCOH-AWEZNQCLSA-N 1 0 363.462 2.298 20 5 FEBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000153775970 544822199 /nfs/dbraw/zinc/82/21/99/544822199.db2.gz JFTYSUBUCHXPEC-LTDCPUDJSA-N 1 0 363.458 2.202 20 5 FEBDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153798900 544824680 /nfs/dbraw/zinc/82/46/80/544824680.db2.gz AROPXGPXOHGBEV-CQSZACIVSA-N 1 0 364.446 2.144 20 5 FEBDRO C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153798806 544825199 /nfs/dbraw/zinc/82/51/99/544825199.db2.gz AROPXGPXOHGBEV-AWEZNQCLSA-N 1 0 364.446 2.144 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000153590918 544795244 /nfs/dbraw/zinc/79/52/44/544795244.db2.gz OQCVMDJGAVKLFK-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000154146883 544870471 /nfs/dbraw/zinc/87/04/71/544870471.db2.gz VCRPPZUZZLBRLC-DGCLKSJQSA-N 1 0 353.444 2.175 20 5 FEBDRO COc1ccc(CSCC(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000154296437 544887188 /nfs/dbraw/zinc/88/71/88/544887188.db2.gz MARYWJHXWGTDRB-UHFFFAOYSA-N 1 0 353.444 2.224 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OCCCO)CC1 ZINC000154998626 544975069 /nfs/dbraw/zinc/97/50/69/544975069.db2.gz DXRDDBFKDYMVSX-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](C(C)C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000552906250 674229430 /nfs/dbraw/zinc/22/94/30/674229430.db2.gz SXJOIVMQKSJRDF-CQSZACIVSA-N 1 0 350.419 2.617 20 5 FEBDRO CC(C)COC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181566580 327736415 /nfs/dbraw/zinc/73/64/15/327736415.db2.gz DDJINWYUGZCCCZ-HNNXBMFYSA-N 1 0 352.431 2.472 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000182451900 327776009 /nfs/dbraw/zinc/77/60/09/327776009.db2.gz GXOJQDQNQKUSRB-LBPRGKRZSA-N 1 0 351.403 2.012 20 5 FEBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000183181257 327806037 /nfs/dbraw/zinc/80/60/37/327806037.db2.gz UIGBMVROFBJRJT-KSSFIOAISA-N 1 0 372.425 2.032 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000804343819 674281631 /nfs/dbraw/zinc/28/16/31/674281631.db2.gz FPPFXYFJWLGOKT-CYBMUJFWSA-N 1 0 350.375 2.194 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184587338 327874194 /nfs/dbraw/zinc/87/41/94/327874194.db2.gz QWQKHLGHDCMMON-HNNXBMFYSA-N 1 0 367.471 2.232 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185093050 327899138 /nfs/dbraw/zinc/89/91/38/327899138.db2.gz QFZHLNGWYHVOAA-UHFFFAOYSA-N 1 0 361.423 2.425 20 5 FEBDRO O=C(CCN1CC[NH+](CC2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185192635 327904759 /nfs/dbraw/zinc/90/47/59/327904759.db2.gz TYEWFWKRXHHSCY-UHFFFAOYSA-N 1 0 350.394 2.090 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000187060130 327999907 /nfs/dbraw/zinc/99/99/07/327999907.db2.gz HRIMSNUCQCGSIW-AWEZNQCLSA-N 1 0 360.370 2.164 20 5 FEBDRO CC[C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187525210 328031577 /nfs/dbraw/zinc/03/15/77/328031577.db2.gz FESCGQZJXUKAEU-GOSISDBHSA-N 1 0 365.430 2.417 20 5 FEBDRO CSc1cccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000188018862 328060689 /nfs/dbraw/zinc/06/06/89/328060689.db2.gz PUPMHEDACOMRIJ-ZDUSSCGKSA-N 1 0 367.471 2.403 20 5 FEBDRO CSc1cccc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000188171262 328070996 /nfs/dbraw/zinc/07/09/96/328070996.db2.gz JQAMMJSACWCZAZ-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO CSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188687212 328104260 /nfs/dbraw/zinc/10/42/60/328104260.db2.gz XHKUJYZPFXIKSV-LBPRGKRZSA-N 1 0 367.471 2.234 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000189270639 328138149 /nfs/dbraw/zinc/13/81/49/328138149.db2.gz KAIZWKNVDCXZSQ-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189694197 328162654 /nfs/dbraw/zinc/16/26/54/328162654.db2.gz NXEWQUVHWBECEI-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000189969710 328179477 /nfs/dbraw/zinc/17/94/77/328179477.db2.gz CMNOCDFFNSYAKA-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000190031441 328183757 /nfs/dbraw/zinc/18/37/57/328183757.db2.gz NOSVVJCCBVGNNN-CYBMUJFWSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191889067 328286936 /nfs/dbraw/zinc/28/69/36/328286936.db2.gz MAPVLEUBGVPMGR-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000193037868 328353406 /nfs/dbraw/zinc/35/34/06/328353406.db2.gz VZFUEACQLPAYCN-QMTHXVAHSA-N 1 0 361.851 2.434 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCc2occc21 ZINC000192999700 328351300 /nfs/dbraw/zinc/35/13/00/328351300.db2.gz MTDWALZFUUOQFN-CYBMUJFWSA-N 1 0 365.411 2.133 20 5 FEBDRO O=C(c1ccoc1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194199747 328415174 /nfs/dbraw/zinc/41/51/74/328415174.db2.gz FXINDVLSBRPECA-UHFFFAOYSA-N 1 0 374.353 2.490 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000195509720 328481135 /nfs/dbraw/zinc/48/11/35/328481135.db2.gz WUFBBBOYDWSTSF-UHFFFAOYSA-N 1 0 360.414 2.042 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000236872332 328496807 /nfs/dbraw/zinc/49/68/07/328496807.db2.gz XBBIBLXPAWTIGD-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1c(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000077182074 324980664 /nfs/dbraw/zinc/98/06/64/324980664.db2.gz SGXTXQOVVHMLMP-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000237216318 328508730 /nfs/dbraw/zinc/50/87/30/328508730.db2.gz ZBVNTHCSKNVXSR-MRXNPFEDSA-N 1 0 353.444 2.080 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237373168 328514259 /nfs/dbraw/zinc/51/42/59/328514259.db2.gz YUQXCYOGBOQTAU-OCCSQVGLSA-N 1 0 355.398 2.336 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000078827462 325064811 /nfs/dbraw/zinc/06/48/11/325064811.db2.gz FDVNYUUFZKXTPH-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088463688 325294982 /nfs/dbraw/zinc/29/49/82/325294982.db2.gz ZMRDZSYRROUEML-SFHVURJKSA-N 1 0 361.442 2.273 20 5 FEBDRO Cn1cc(C[NH2+]CCNC(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237916843 328534196 /nfs/dbraw/zinc/53/41/96/328534196.db2.gz NMWRYMBVPRSGHR-UHFFFAOYSA-N 1 0 369.381 2.108 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000092421694 325415154 /nfs/dbraw/zinc/41/51/54/325415154.db2.gz DYNHRPGYFRMOJV-MRXNPFEDSA-N 1 0 361.442 2.314 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000094000869 325451653 /nfs/dbraw/zinc/45/16/53/325451653.db2.gz HMQIWLBTZZSRKY-HZPDHXFCSA-N 1 0 360.458 2.410 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000103864612 325528215 /nfs/dbraw/zinc/52/82/15/325528215.db2.gz DYLNZMQBPMAOGH-UHFFFAOYSA-N 1 0 371.397 2.030 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107873950 325636703 /nfs/dbraw/zinc/63/67/03/325636703.db2.gz SAILJAQHDBGXBC-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000116248258 326002097 /nfs/dbraw/zinc/00/20/97/326002097.db2.gz QMGYDZRUBOTKSB-DYVFJYSZSA-N 1 0 369.425 2.212 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000116663710 326029118 /nfs/dbraw/zinc/02/91/18/326029118.db2.gz UUQPENLKOKFZMI-UHFFFAOYSA-N 1 0 351.451 2.036 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116732579 326031562 /nfs/dbraw/zinc/03/15/62/326031562.db2.gz OCAPQYNSOCWJTH-LBPRGKRZSA-N 1 0 355.822 2.475 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000118828339 326105546 /nfs/dbraw/zinc/10/55/46/326105546.db2.gz WFMQCOSXBXGWDN-CQSZACIVSA-N 1 0 362.430 2.102 20 5 FEBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000118859900 326109272 /nfs/dbraw/zinc/10/92/72/326109272.db2.gz MIEDGACNLRQITE-HNNXBMFYSA-N 1 0 372.429 2.246 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000118999009 326117111 /nfs/dbraw/zinc/11/71/11/326117111.db2.gz VPRYIPKTLMXFLJ-AWEZNQCLSA-N 1 0 352.866 2.460 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119468834 326166336 /nfs/dbraw/zinc/16/63/36/326166336.db2.gz LJDIRKYIRBSVET-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000119629467 326182558 /nfs/dbraw/zinc/18/25/58/326182558.db2.gz ZIKQNZHHJZOYIB-UHFFFAOYSA-N 1 0 357.414 2.065 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120073986 326227562 /nfs/dbraw/zinc/22/75/62/326227562.db2.gz WIHHHAQWLMASHY-WMLDXEAASA-N 1 0 371.441 2.127 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000120724946 326282440 /nfs/dbraw/zinc/28/24/40/326282440.db2.gz ZYZUKISSEVZGQE-QWRGUYRKSA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000121324294 326329632 /nfs/dbraw/zinc/32/96/32/326329632.db2.gz TUMZWZWXJCHNSO-UHFFFAOYSA-N 1 0 362.430 2.093 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000122352466 326393560 /nfs/dbraw/zinc/39/35/60/326393560.db2.gz JHTBPTUYQPPIEZ-RISCZKNCSA-N 1 0 373.862 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCn2cnnc2C2CC2)c1 ZINC000124317242 326451555 /nfs/dbraw/zinc/45/15/55/326451555.db2.gz DCWYUAUUJJNYBY-UHFFFAOYSA-N 1 0 353.329 2.455 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126896631 326496842 /nfs/dbraw/zinc/49/68/42/326496842.db2.gz RFRZRTWQDXJWAX-OAHLLOKOSA-N 1 0 369.425 2.338 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127652488 326510338 /nfs/dbraw/zinc/51/03/38/326510338.db2.gz UYRCXIVRVIYNQH-HNNXBMFYSA-N 1 0 369.425 2.338 20 5 FEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000134987454 326634565 /nfs/dbraw/zinc/63/45/65/326634565.db2.gz VCGUGJOUGVIUAJ-ZIAGYGMSSA-N 1 0 360.458 2.463 20 5 FEBDRO C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000153190111 326726430 /nfs/dbraw/zinc/72/64/30/326726430.db2.gz DVSPZIDKMDPZST-GFCCVEGCSA-N 1 0 372.491 2.233 20 5 FEBDRO COc1cc(CN2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000154409365 326759282 /nfs/dbraw/zinc/75/92/82/326759282.db2.gz DNJDKRXTNRKZDD-UHFFFAOYSA-N 1 0 363.336 2.292 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161610081 327004242 /nfs/dbraw/zinc/00/42/42/327004242.db2.gz KXHFURQZUSXFJE-AWEZNQCLSA-N 1 0 373.413 2.150 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000171680558 327154574 /nfs/dbraw/zinc/15/45/74/327154574.db2.gz BZNUPFCCCMNXNI-CQSZACIVSA-N 1 0 363.462 2.464 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172242898 327189511 /nfs/dbraw/zinc/18/95/11/327189511.db2.gz MJYIAWKJOJZFQN-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO Nc1c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000172421611 327200885 /nfs/dbraw/zinc/20/08/85/327200885.db2.gz RURUBBVBENXQPW-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000173176764 327239371 /nfs/dbraw/zinc/23/93/71/327239371.db2.gz YXUSCFOOAFHPMP-HNNXBMFYSA-N 1 0 361.442 2.287 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173278240 327246116 /nfs/dbraw/zinc/24/61/16/327246116.db2.gz CCVPOKAXVGFORK-MNOVXSKESA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000173279749 327246169 /nfs/dbraw/zinc/24/61/69/327246169.db2.gz CBAHLYXTDDYCPJ-CVEARBPZSA-N 1 0 374.441 2.315 20 5 FEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173277685 327246180 /nfs/dbraw/zinc/24/61/80/327246180.db2.gz PZYIRHAYDQFOOP-CMPLNLGQSA-N 1 0 361.851 2.351 20 5 FEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173278225 327246233 /nfs/dbraw/zinc/24/62/33/327246233.db2.gz CCVPOKAXVGFORK-WDEREUQCSA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173666553 327275110 /nfs/dbraw/zinc/27/51/10/327275110.db2.gz UGEWDTJAHWJUJW-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173922162 327294627 /nfs/dbraw/zinc/29/46/27/327294627.db2.gz XDCRCTMADXKQKS-GFCCVEGCSA-N 1 0 359.423 2.086 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000173923357 327294834 /nfs/dbraw/zinc/29/48/34/327294834.db2.gz OSWXDQYUUAYLFT-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO COc1cccc([C@@H](C)[NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000174847007 327354968 /nfs/dbraw/zinc/35/49/68/327354968.db2.gz NQVRLSOOABJALK-OAHLLOKOSA-N 1 0 359.430 2.179 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170963 327378177 /nfs/dbraw/zinc/37/81/77/327378177.db2.gz SDWHPMUURSUMMK-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175290717 327384765 /nfs/dbraw/zinc/38/47/65/327384765.db2.gz GHTQYUPWASJAMH-QGZVFWFLSA-N 1 0 371.441 2.162 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175395655 327390435 /nfs/dbraw/zinc/39/04/35/327390435.db2.gz AGKRJIKYTSTEDC-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176709643 327471350 /nfs/dbraw/zinc/47/13/50/327471350.db2.gz MWVOGASPHZHCJH-LLVKDONJSA-N 1 0 361.851 2.129 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC000177628949 327534124 /nfs/dbraw/zinc/53/41/24/327534124.db2.gz XSADTHUUFWJIOF-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1csc([N+](=O)[O-])c1 ZINC000178132655 327567204 /nfs/dbraw/zinc/56/72/04/327567204.db2.gz JIQZTURSFHBOHJ-KBPBESRZSA-N 1 0 353.444 2.154 20 5 FEBDRO COCCCNC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255612576 328801978 /nfs/dbraw/zinc/80/19/78/328801978.db2.gz FBPXHLLSDPQQRQ-DAXSKMNVSA-N 1 0 361.442 2.473 20 5 FEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262096119 328842058 /nfs/dbraw/zinc/84/20/58/328842058.db2.gz YYJXNWLGEBIYJM-VHSXEESVSA-N 1 0 361.320 2.345 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264616427 329041329 /nfs/dbraw/zinc/04/13/29/329041329.db2.gz RHOUWGMETDFGNL-UHFFFAOYSA-N 1 0 371.441 2.449 20 5 FEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000264627599 329042283 /nfs/dbraw/zinc/04/22/83/329042283.db2.gz BMULNAOLNICIGO-VIFPVBQESA-N 1 0 351.375 2.343 20 5 FEBDRO COc1cc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000265938739 329174826 /nfs/dbraw/zinc/17/48/26/329174826.db2.gz IFQDFOIKVXVHRG-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986805 329179371 /nfs/dbraw/zinc/17/93/71/329179371.db2.gz KVRHHJQCCWMCBM-DGCLKSJQSA-N 1 0 351.403 2.024 20 5 FEBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266013859 329181945 /nfs/dbraw/zinc/18/19/45/329181945.db2.gz OGBOKUBWHZQXNS-UHFFFAOYSA-N 1 0 361.377 2.281 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000266194621 329199260 /nfs/dbraw/zinc/19/92/60/329199260.db2.gz CDLHDFPFWVLPLE-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO COCCCOC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266555499 329235784 /nfs/dbraw/zinc/23/57/84/329235784.db2.gz VTWHQBXDZCXBTA-UHFFFAOYSA-N 1 0 368.430 2.500 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000266877617 329268446 /nfs/dbraw/zinc/26/84/46/329268446.db2.gz VYFFEBVPOUZERU-HNNXBMFYSA-N 1 0 362.430 2.231 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000267115192 329293514 /nfs/dbraw/zinc/29/35/14/329293514.db2.gz YQAAIZYZYROBQL-UHFFFAOYSA-N 1 0 367.413 2.456 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000267946699 329370692 /nfs/dbraw/zinc/37/06/92/329370692.db2.gz IGXIDFPYQXBLJY-KRWDZBQOSA-N 1 0 366.462 2.260 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000268035797 329379282 /nfs/dbraw/zinc/37/92/82/329379282.db2.gz ZNCJGFFTUTTWOC-UHFFFAOYSA-N 1 0 362.342 2.300 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270062309 329571827 /nfs/dbraw/zinc/57/18/27/329571827.db2.gz FSXVNMXNWPLTQT-AWEZNQCLSA-N 1 0 362.430 2.335 20 5 FEBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000271697764 329716611 /nfs/dbraw/zinc/71/66/11/329716611.db2.gz MXWUDJKZZHWDKF-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272384985 329776632 /nfs/dbraw/zinc/77/66/32/329776632.db2.gz HHOVRGNNMHVORS-KBPBESRZSA-N 1 0 371.441 2.215 20 5 FEBDRO COc1cc(C(=O)NCC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000272952533 329825914 /nfs/dbraw/zinc/82/59/14/329825914.db2.gz DTTORIZRJUGXNJ-UHFFFAOYSA-N 1 0 373.356 2.324 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000273185722 329843846 /nfs/dbraw/zinc/84/38/46/329843846.db2.gz BTZAISTXDOUKQU-JTQLQIEISA-N 1 0 361.489 2.226 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CC(C)(C)O ZINC000275471320 330052603 /nfs/dbraw/zinc/05/26/03/330052603.db2.gz IKXXKBXTXSWCQN-NSHDSACASA-N 1 0 354.382 2.043 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276290651 330137607 /nfs/dbraw/zinc/13/76/07/330137607.db2.gz YMUAWFSYUOEVDH-UHFFFAOYSA-N 1 0 355.460 2.311 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821021 330208005 /nfs/dbraw/zinc/20/80/05/330208005.db2.gz SLDRKOSWJANOFC-CRAIPNDOSA-N 1 0 371.441 2.160 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000369334229 330240737 /nfs/dbraw/zinc/24/07/37/330240737.db2.gz JHYFZCKVMGLGQE-AWEZNQCLSA-N 1 0 365.821 2.080 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000554679815 674329838 /nfs/dbraw/zinc/32/98/38/674329838.db2.gz WUGOHQWAGOYCBK-UHFFFAOYSA-N 1 0 351.451 2.201 20 5 FEBDRO C[C@H]1CCCN(Cc2csc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)C1 ZINC000555723871 674373733 /nfs/dbraw/zinc/37/37/33/674373733.db2.gz YPHYORHNKCMDTL-VIFPVBQESA-N 1 0 350.404 2.259 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000155312294 545510176 /nfs/dbraw/zinc/51/01/76/545510176.db2.gz ODQUMWXRJMLTDZ-DOMZBBRYSA-N 1 0 351.378 2.055 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000155579937 545544520 /nfs/dbraw/zinc/54/45/20/545544520.db2.gz WCYXEARCJYNDDT-IBGZPJMESA-N 1 0 358.442 2.023 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160420254 546040171 /nfs/dbraw/zinc/04/01/71/546040171.db2.gz BWTQKSBXVGJVJY-QZTJIDSGSA-N 1 0 361.442 2.021 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160420120 546040235 /nfs/dbraw/zinc/04/02/35/546040235.db2.gz BWTQKSBXVGJVJY-ROUUACIJSA-N 1 0 361.442 2.021 20 5 FEBDRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CCCCCC1 ZINC000173683528 546285470 /nfs/dbraw/zinc/28/54/70/546285470.db2.gz YGYMLBXZSLVTKL-LSDHHAIUSA-N 1 0 361.446 2.267 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000176085083 546404015 /nfs/dbraw/zinc/40/40/15/546404015.db2.gz IUPILJBKQJCNIL-LBPRGKRZSA-N 1 0 350.375 2.225 20 5 FEBDRO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000480461476 561209795 /nfs/dbraw/zinc/20/97/95/561209795.db2.gz PYXTVNQDVLSXLD-GFCCVEGCSA-N 1 0 357.414 2.454 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000480672515 561214115 /nfs/dbraw/zinc/21/41/15/561214115.db2.gz UIFSNWVQHVZHTP-AWEZNQCLSA-N 1 0 374.441 2.370 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000480756569 561216176 /nfs/dbraw/zinc/21/61/76/561216176.db2.gz KDLXHKHEBKVKJY-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000177347453 546597434 /nfs/dbraw/zinc/59/74/34/546597434.db2.gz SQTSIGJZXLDVJL-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481047324 561223788 /nfs/dbraw/zinc/22/37/88/561223788.db2.gz SEBSRPVRJSUXKB-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177958488 546712739 /nfs/dbraw/zinc/71/27/39/546712739.db2.gz WVFZPTOCOZOZFZ-LLVKDONJSA-N 1 0 359.835 2.025 20 5 FEBDRO CCc1ccc([C@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000178006895 546721685 /nfs/dbraw/zinc/72/16/85/546721685.db2.gz CNAPKGODWHCIDN-LBPRGKRZSA-N 1 0 367.427 2.379 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000481449528 561233098 /nfs/dbraw/zinc/23/30/98/561233098.db2.gz XBTOQEBSTDWLKP-MRXNPFEDSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000481695685 561238800 /nfs/dbraw/zinc/23/88/00/561238800.db2.gz OROYSAHQUIDMSN-UHFFFAOYSA-N 1 0 371.445 2.103 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000481977388 561246591 /nfs/dbraw/zinc/24/65/91/561246591.db2.gz NMDUINNDRMGWLN-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000179643750 546990699 /nfs/dbraw/zinc/99/06/99/546990699.db2.gz YGWGDBSBYQSYPS-ZBFHGGJFSA-N 1 0 363.458 2.437 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000179839080 547019935 /nfs/dbraw/zinc/01/99/35/547019935.db2.gz OFZFJHUWQYDHOG-LBPRGKRZSA-N 1 0 351.403 2.337 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180163201 547061204 /nfs/dbraw/zinc/06/12/04/547061204.db2.gz WRMVCACAYVZOOC-CRAIPNDOSA-N 1 0 357.414 2.051 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180570780 547132933 /nfs/dbraw/zinc/13/29/33/547132933.db2.gz WLQJTBWPASTHBK-CQSZACIVSA-N 1 0 369.425 2.309 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000483218971 561271014 /nfs/dbraw/zinc/27/10/14/561271014.db2.gz IYRTYZFXQYFWJZ-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000181349645 547298273 /nfs/dbraw/zinc/29/82/73/547298273.db2.gz ZBNNRJIMPBSJKM-WFASDCNBSA-N 1 0 373.409 2.412 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181483217 547322491 /nfs/dbraw/zinc/32/24/91/547322491.db2.gz IOWWPAVPKHHNLP-XEZPLFJOSA-N 1 0 365.430 2.413 20 5 FEBDRO Cc1ccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)nc1 ZINC000181552193 547333520 /nfs/dbraw/zinc/33/35/20/547333520.db2.gz JFAAGEQPCSMCOU-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO CS(=O)(=O)C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181767228 547377038 /nfs/dbraw/zinc/37/70/38/547377038.db2.gz QOLUUVXHSHSJBF-KRWDZBQOSA-N 1 0 364.423 2.349 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000181825957 547387329 /nfs/dbraw/zinc/38/73/29/547387329.db2.gz YYJFSKSQANAWKE-GFCCVEGCSA-N 1 0 360.370 2.173 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181880065 547397308 /nfs/dbraw/zinc/39/73/08/547397308.db2.gz LHTDYRQHWIEJOX-UHFFFAOYSA-N 1 0 361.398 2.272 20 5 FEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182335752 547475276 /nfs/dbraw/zinc/47/52/76/547475276.db2.gz ZPVVXPPDAMAYKU-DETPVDSQSA-N 1 0 351.403 2.478 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183288312 547632404 /nfs/dbraw/zinc/63/24/04/547632404.db2.gz MJZRGPMJHMBBDD-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000484670062 561303058 /nfs/dbraw/zinc/30/30/58/561303058.db2.gz NHOBBTKAYJSKCW-AAEUAGOBSA-N 1 0 353.444 2.032 20 5 FEBDRO C[NH+](C)CC1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000185098005 547933023 /nfs/dbraw/zinc/93/30/23/547933023.db2.gz ZGSFHHGCIUKXRA-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185364184 547975051 /nfs/dbraw/zinc/97/50/51/547975051.db2.gz FVIWWWJFMJOSLU-CYBMUJFWSA-N 1 0 353.419 2.271 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(CO)CC1 ZINC000186973147 548232151 /nfs/dbraw/zinc/23/21/51/548232151.db2.gz YDUZJSVXBXUTOH-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO [NH3+][C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000194281331 548459682 /nfs/dbraw/zinc/45/96/82/548459682.db2.gz JSUMACOTNORWLV-SFHVURJKSA-N 1 0 354.410 2.334 20 5 FEBDRO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194397192 548475030 /nfs/dbraw/zinc/47/50/30/548475030.db2.gz HSPZYWITNLSVGS-GFCCVEGCSA-N 1 0 360.374 2.323 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000194707886 548518390 /nfs/dbraw/zinc/51/83/90/548518390.db2.gz ARTJCYZBCSSBAP-UHFFFAOYSA-N 1 0 371.397 2.441 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[N@H+](C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486878242 561358741 /nfs/dbraw/zinc/35/87/41/561358741.db2.gz HMJJXWLMDCTVTF-UHFFFAOYSA-N 1 0 352.391 2.152 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876076 561358756 /nfs/dbraw/zinc/35/87/56/561358756.db2.gz BLKBPLFXSIHDLR-GXFFZTMASA-N 1 0 364.402 2.294 20 5 FEBDRO CC[C@@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000236991257 548792511 /nfs/dbraw/zinc/79/25/11/548792511.db2.gz MXEIBNMAVNPAKA-MRXNPFEDSA-N 1 0 372.429 2.300 20 5 FEBDRO O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237978487 548868584 /nfs/dbraw/zinc/86/85/84/548868584.db2.gz VDFCQGRVTVWAIB-PMPSAXMXSA-N 1 0 358.442 2.164 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000245546817 548943381 /nfs/dbraw/zinc/94/33/81/548943381.db2.gz WTCJZBAIHSMYPP-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245542970 548943426 /nfs/dbraw/zinc/94/34/26/548943426.db2.gz KMXPSOVTJNELBM-CXAGYDPISA-N 1 0 365.430 2.415 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245657380 548967133 /nfs/dbraw/zinc/96/71/33/548967133.db2.gz DXPYOIMAQNUIGH-XJKSGUPXSA-N 1 0 369.425 2.212 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246127133 549058356 /nfs/dbraw/zinc/05/83/56/549058356.db2.gz JJHDEDZOXVDWHV-ZBFHGGJFSA-N 1 0 367.471 2.405 20 5 FEBDRO CCOc1cc(N2CC[N@H+](CCC(=O)OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000246181669 549070655 /nfs/dbraw/zinc/07/06/55/549070655.db2.gz WHLGSHCATFPSHT-CYBMUJFWSA-N 1 0 351.403 2.067 20 5 FEBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246250539 549088436 /nfs/dbraw/zinc/08/84/36/549088436.db2.gz JFTYSUBUCHXPEC-QGWWYQLQSA-N 1 0 363.458 2.202 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246392252 549122858 /nfs/dbraw/zinc/12/28/58/549122858.db2.gz PKONERWFIYQWLE-AAEUAGOBSA-N 1 0 371.484 2.294 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246394839 549122869 /nfs/dbraw/zinc/12/28/69/549122869.db2.gz DWMDVDRXJIJNSH-ZFWWWQNUSA-N 1 0 364.446 2.044 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246460114 549138236 /nfs/dbraw/zinc/13/82/36/549138236.db2.gz JDXYOXVWOWMLEP-YWPYICTPSA-N 1 0 351.403 2.023 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246464075 549139704 /nfs/dbraw/zinc/13/97/04/549139704.db2.gz NJORPOSYNYVOLY-XJKSGUPXSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246782793 549211383 /nfs/dbraw/zinc/21/13/83/549211383.db2.gz BFWXHMQXSJPWCF-ZYHUDNBSSA-N 1 0 373.862 2.414 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247016815 549265495 /nfs/dbraw/zinc/26/54/95/549265495.db2.gz QFVROIGVUOQNTJ-HZPDHXFCSA-N 1 0 363.462 2.294 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000247076151 549278781 /nfs/dbraw/zinc/27/87/81/549278781.db2.gz YVARICPIZZZAMI-GJZGRUSLSA-N 1 0 361.398 2.080 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000247261759 549308473 /nfs/dbraw/zinc/30/84/73/549308473.db2.gz QMGYDZRUBOTKSB-SUMWQHHRSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000248358844 549421794 /nfs/dbraw/zinc/42/17/94/549421794.db2.gz RGTNADHUIYQESY-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000248448368 549440172 /nfs/dbraw/zinc/44/01/72/549440172.db2.gz HSMCAPJDWXURBG-QZTJIDSGSA-N 1 0 372.421 2.278 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000248891755 549523516 /nfs/dbraw/zinc/52/35/16/549523516.db2.gz FWZRDEIXBOMNPG-MFKMUULPSA-N 1 0 360.357 2.450 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000248958612 549532347 /nfs/dbraw/zinc/53/23/47/549532347.db2.gz BVXCYSAEDJQOAO-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@H](O)CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249117584 549554325 /nfs/dbraw/zinc/55/43/25/549554325.db2.gz SPUGMEAAEIUZLW-KGLIPLIRSA-N 1 0 363.458 2.419 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000249137580 549559266 /nfs/dbraw/zinc/55/92/66/549559266.db2.gz YYJUGOISSFARBA-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000261659910 549739943 /nfs/dbraw/zinc/73/99/43/549739943.db2.gz KOXGOSCRBVOCGG-AWEZNQCLSA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000261741278 549749442 /nfs/dbraw/zinc/74/94/42/549749442.db2.gz PEPANJTZYWHWDP-WCQYABFASA-N 1 0 364.427 2.033 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2CN1 ZINC000262126375 549790823 /nfs/dbraw/zinc/79/08/23/549790823.db2.gz CMIYOSJIBQPFGW-ZDUSSCGKSA-N 1 0 361.423 2.423 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)CC1 ZINC000269134164 550159344 /nfs/dbraw/zinc/15/93/44/550159344.db2.gz CIQOCNQOTWRGGE-UHFFFAOYSA-N 1 0 370.409 2.300 20 5 FEBDRO CN(CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000270232765 550255282 /nfs/dbraw/zinc/25/52/82/550255282.db2.gz OAVVJLRSRNTQCX-MRXNPFEDSA-N 1 0 360.458 2.221 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000270388963 550268021 /nfs/dbraw/zinc/26/80/21/550268021.db2.gz ROZGNJGPNJHBRC-UHFFFAOYSA-N 1 0 361.398 2.260 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797179 550307833 /nfs/dbraw/zinc/30/78/33/550307833.db2.gz FJJFPMKIRFGPPQ-PKOBYXMFSA-N 1 0 369.421 2.208 20 5 FEBDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668277 550393689 /nfs/dbraw/zinc/39/36/89/550393689.db2.gz MPCAWHXPHKVLAI-GUYCJALGSA-N 1 0 374.393 2.472 20 5 FEBDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668273 550393927 /nfs/dbraw/zinc/39/39/27/550393927.db2.gz MPCAWHXPHKVLAI-CXAGYDPISA-N 1 0 374.393 2.472 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000272298045 550435931 /nfs/dbraw/zinc/43/59/31/550435931.db2.gz IGKVPHSMDTUHOV-KBPBESRZSA-N 1 0 355.460 2.225 20 5 FEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000272580316 550458758 /nfs/dbraw/zinc/45/87/58/550458758.db2.gz YDEXXARKHYCCPG-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1=CC[N@H+](C)CC1 ZINC000272651722 550463247 /nfs/dbraw/zinc/46/32/47/550463247.db2.gz ARNZJHNONOBCGL-ZDUSSCGKSA-N 1 0 355.398 2.161 20 5 FEBDRO C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CC[N@H+](C)CC1 ZINC000272969752 550479064 /nfs/dbraw/zinc/47/90/64/550479064.db2.gz OHPHFWUTIWMPEK-OAHLLOKOSA-N 1 0 373.457 2.077 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273343501 550494950 /nfs/dbraw/zinc/49/49/50/550494950.db2.gz AZGXNJJLJZFAGQ-CYBMUJFWSA-N 1 0 367.425 2.129 20 5 FEBDRO Nc1c(F)c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000274638813 550547297 /nfs/dbraw/zinc/54/72/97/550547297.db2.gz DVYUKUAFTJGKJE-CQSZACIVSA-N 1 0 360.389 2.147 20 5 FEBDRO COC(=O)c1cnc(NCc2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000276688659 550585471 /nfs/dbraw/zinc/58/54/71/550585471.db2.gz GRXBLOGJWFXURQ-UHFFFAOYSA-N 1 0 358.398 2.493 20 5 FEBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H]1C ZINC000277490389 550677035 /nfs/dbraw/zinc/67/70/35/550677035.db2.gz NSZNMWAGBBOYDA-YUMQZZPRSA-N 1 0 360.183 2.319 20 5 FEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H]1C ZINC000277490386 550677081 /nfs/dbraw/zinc/67/70/81/550677081.db2.gz NSZNMWAGBBOYDA-SFYZADRCSA-N 1 0 360.183 2.319 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000277853908 550721685 /nfs/dbraw/zinc/72/16/85/550721685.db2.gz CQJKVGBALLSRMH-INIZCTEOSA-N 1 0 357.414 2.494 20 5 FEBDRO COC[C@](C)([NH3+])CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278492047 550791929 /nfs/dbraw/zinc/79/19/29/550791929.db2.gz PTNGXMLJUUUWOF-SNVBAGLBSA-N 1 0 358.267 2.420 20 5 FEBDRO Cc1cc(=O)n(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278544871 550797893 /nfs/dbraw/zinc/79/78/93/550797893.db2.gz KMTHGBKUOZNQAH-QGZVFWFLSA-N 1 0 357.410 2.356 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000278956347 550840101 /nfs/dbraw/zinc/84/01/01/550840101.db2.gz ZNSGTFLHUGDRND-LLVKDONJSA-N 1 0 369.368 2.198 20 5 FEBDRO CN(C(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000279225225 550866865 /nfs/dbraw/zinc/86/68/65/550866865.db2.gz IOFJLJAKPRNADY-NXHRZFHOSA-N 1 0 359.426 2.495 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270485 550871909 /nfs/dbraw/zinc/87/19/09/550871909.db2.gz NHLCZVWDMUUDTD-ATZDWAIDSA-N 1 0 371.437 2.421 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1(CCO)CCOCC1 ZINC000495460935 561488474 /nfs/dbraw/zinc/48/84/74/561488474.db2.gz OBCKZQUJRBCMFQ-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355263 550984204 /nfs/dbraw/zinc/98/42/04/550984204.db2.gz JJPZAFVWYWDYEC-SCLBCKFNSA-N 1 0 363.414 2.112 20 5 FEBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280604837 551012560 /nfs/dbraw/zinc/01/25/60/551012560.db2.gz VKAHKCXBVXROAV-GOSISDBHSA-N 1 0 363.414 2.193 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000280841240 551037963 /nfs/dbraw/zinc/03/79/63/551037963.db2.gz BWFUQTGCLVEREY-MRXNPFEDSA-N 1 0 361.442 2.472 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000281242988 551077254 /nfs/dbraw/zinc/07/72/54/551077254.db2.gz UPKBMPHOGFMGLM-INIZCTEOSA-N 1 0 373.356 2.163 20 5 FEBDRO CN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281684050 551130409 /nfs/dbraw/zinc/13/04/09/551130409.db2.gz YMNRNCGGYSSQPO-UHFFFAOYSA-N 1 0 361.851 2.355 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410464 561500338 /nfs/dbraw/zinc/50/03/38/561500338.db2.gz HGRZOOAQUXZFJR-KGLIPLIRSA-N 1 0 357.414 2.269 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+]C(CC)(CC)CCO)c([N+](=O)[O-])c1 ZINC000282490468 551236817 /nfs/dbraw/zinc/23/68/17/551236817.db2.gz PTURYBCVNVMWCL-UHFFFAOYSA-N 1 0 353.419 2.463 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282965893 551290934 /nfs/dbraw/zinc/29/09/34/551290934.db2.gz YSCGHVIWLYOXFM-RHSMWYFYSA-N 1 0 350.415 2.261 20 5 FEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283020493 551298611 /nfs/dbraw/zinc/29/86/11/551298611.db2.gz MGRYYRPSKBNLNZ-SFHVURJKSA-N 1 0 363.458 2.389 20 5 FEBDRO Cc1c(CC(=O)Nc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000497696265 561506661 /nfs/dbraw/zinc/50/66/61/561506661.db2.gz LYUCJXSTKYWOPY-UHFFFAOYSA-N 1 0 358.398 2.420 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295485 551343225 /nfs/dbraw/zinc/34/32/25/551343225.db2.gz MZKUTHMEIBOVKS-HUUCEWRRSA-N 1 0 351.428 2.130 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000284316903 551522371 /nfs/dbraw/zinc/52/23/71/551522371.db2.gz LOXICDYWGBERHG-XNRPHZJLSA-N 1 0 367.446 2.060 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284650633 551598699 /nfs/dbraw/zinc/59/86/99/551598699.db2.gz WTMHZEXPPBLHKE-KBPBESRZSA-N 1 0 356.220 2.267 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1SC ZINC000498711009 561532525 /nfs/dbraw/zinc/53/25/25/561532525.db2.gz RXZQUWWDBYEPSB-NSHDSACASA-N 1 0 353.444 2.492 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285165476 551714055 /nfs/dbraw/zinc/71/40/55/551714055.db2.gz ATCPQXFBELHSDJ-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000285507773 551766907 /nfs/dbraw/zinc/76/69/07/551766907.db2.gz FTLHZGQBWQEEMU-PBWFPOADSA-N 1 0 353.444 2.149 20 5 FEBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714593 551799766 /nfs/dbraw/zinc/79/97/66/551799766.db2.gz UCMOAUGJPZQIJM-HZPDHXFCSA-N 1 0 351.403 2.229 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286903610 551938392 /nfs/dbraw/zinc/93/83/92/551938392.db2.gz LWGXQUFYUNYHKD-WMLDXEAASA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000287117781 551965683 /nfs/dbraw/zinc/96/56/83/551965683.db2.gz MBNLOWPSFXPFKB-ZBFHGGJFSA-N 1 0 369.425 2.479 20 5 FEBDRO COc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287239312 551980088 /nfs/dbraw/zinc/98/00/88/551980088.db2.gz RBISREJVMZMRHL-HIFRSBDPSA-N 1 0 363.414 2.067 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000288750943 552206053 /nfs/dbraw/zinc/20/60/53/552206053.db2.gz QUFMDLOJANMPHD-UHFFFAOYSA-N 1 0 372.425 2.179 20 5 FEBDRO COc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000288979743 552247600 /nfs/dbraw/zinc/24/76/00/552247600.db2.gz ZHNCJAPVDOTRFV-MRXNPFEDSA-N 1 0 362.430 2.462 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000289294023 552296349 /nfs/dbraw/zinc/29/63/49/552296349.db2.gz RJNJSETWCOWROK-HDJSIYSDSA-N 1 0 357.414 2.275 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000289313757 552299914 /nfs/dbraw/zinc/29/99/14/552299914.db2.gz TZKLXXKMBZXFRT-VIFPVBQESA-N 1 0 361.427 2.186 20 5 FEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000289899269 552396413 /nfs/dbraw/zinc/39/64/13/552396413.db2.gz MZSYKZDWNAHKFR-LLVKDONJSA-N 1 0 362.167 2.420 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290018456 552414641 /nfs/dbraw/zinc/41/46/41/552414641.db2.gz JTPOFNYHQZSGCA-LLVKDONJSA-N 1 0 370.837 2.423 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290190270 552440673 /nfs/dbraw/zinc/44/06/73/552440673.db2.gz QHGGCKXYXNFWHY-IUCAKERBSA-N 1 0 372.194 2.178 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000500936239 561585999 /nfs/dbraw/zinc/58/59/99/561585999.db2.gz PSPITJIJRSTUBK-ZBFHGGJFSA-N 1 0 369.487 2.272 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291911099 552673921 /nfs/dbraw/zinc/67/39/21/552673921.db2.gz QQMIYHLMSLOEAK-UKRRQHHQSA-N 1 0 357.414 2.030 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292370622 552720470 /nfs/dbraw/zinc/72/04/70/552720470.db2.gz RZGGACVTARYTNJ-ZDUSSCGKSA-N 1 0 362.430 2.477 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293158590 552794460 /nfs/dbraw/zinc/79/44/60/552794460.db2.gz OPOAUPFBPALXFK-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162441 552794612 /nfs/dbraw/zinc/79/46/12/552794612.db2.gz UYEWGBAHZIGBHM-SJLPKXTDSA-N 1 0 352.431 2.065 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000293499242 552829980 /nfs/dbraw/zinc/82/99/80/552829980.db2.gz VWPCOBICIQXKRM-CYBMUJFWSA-N 1 0 374.441 2.175 20 5 FEBDRO Cc1c(C(=O)NCCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000294759896 552932463 /nfs/dbraw/zinc/93/24/63/552932463.db2.gz DWLPNLIQOOQCEU-GFCCVEGCSA-N 1 0 350.375 2.382 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294860188 552939381 /nfs/dbraw/zinc/93/93/81/552939381.db2.gz SXLQZNOUSSGZQZ-SKDRFNHKSA-N 1 0 360.336 2.381 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000501883777 561607348 /nfs/dbraw/zinc/60/73/48/561607348.db2.gz BJZBWABSLJNWTC-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO Cc1ccncc1N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501928063 561608130 /nfs/dbraw/zinc/60/81/30/561608130.db2.gz MVMOQQXKUSVYNB-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501977023 561609154 /nfs/dbraw/zinc/60/91/54/561609154.db2.gz QKEDYCPMCFYZSS-GFCCVEGCSA-N 1 0 350.419 2.158 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000295862958 553069142 /nfs/dbraw/zinc/06/91/42/553069142.db2.gz DYUOKLHZHSGEML-MAUKXSAKSA-N 1 0 362.426 2.226 20 5 FEBDRO Cc1cc(F)c(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000296044141 553094883 /nfs/dbraw/zinc/09/48/83/553094883.db2.gz PELAHUTUVVIXKZ-UHFFFAOYSA-N 1 0 368.409 2.216 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000296364074 553148087 /nfs/dbraw/zinc/14/80/87/553148087.db2.gz RCOIDRAXEAOVGN-HNNXBMFYSA-N 1 0 370.837 2.279 20 5 FEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000297176603 553259814 /nfs/dbraw/zinc/25/98/14/553259814.db2.gz NRGBFNMKEYYUMX-GOSISDBHSA-N 1 0 372.425 2.221 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000297721256 553329968 /nfs/dbraw/zinc/32/99/68/553329968.db2.gz BKEUKMJYPFJROV-ZDUSSCGKSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000297820045 553342890 /nfs/dbraw/zinc/34/28/90/553342890.db2.gz JCHSVNXFDSNREN-UHFFFAOYSA-N 1 0 362.430 2.267 20 5 FEBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923488 553358086 /nfs/dbraw/zinc/35/80/86/553358086.db2.gz QPKGJAWMTGDPBB-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)C1CCCC1 ZINC000298103956 553384577 /nfs/dbraw/zinc/38/45/77/553384577.db2.gz JBAOHYCGDOFFMR-OAHLLOKOSA-N 1 0 351.403 2.073 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000298276691 553407122 /nfs/dbraw/zinc/40/71/22/553407122.db2.gz WXBSPYIBMPLYET-INIZCTEOSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298337815 553413799 /nfs/dbraw/zinc/41/37/99/553413799.db2.gz AFIKMJLJHVWPRT-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000298596720 553446693 /nfs/dbraw/zinc/44/66/93/553446693.db2.gz SAZBKPGJCBMLSQ-CRAIPNDOSA-N 1 0 365.430 2.079 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298734568 553465907 /nfs/dbraw/zinc/46/59/07/553465907.db2.gz VMVPBFKMEBUWOB-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000298908688 553488026 /nfs/dbraw/zinc/48/80/26/553488026.db2.gz BUKNKOXDESLLNA-UHFFFAOYSA-N 1 0 350.419 2.087 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000299469351 553567538 /nfs/dbraw/zinc/56/75/38/553567538.db2.gz YJCPTAROJSNTHF-UHFFFAOYSA-N 1 0 374.441 2.283 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000299628319 553591761 /nfs/dbraw/zinc/59/17/61/553591761.db2.gz JUPMLVUACFBHNA-HOCLYGCPSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299733877 553609766 /nfs/dbraw/zinc/60/97/66/553609766.db2.gz ZCLDXQUXLFHZOD-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO Cc1cc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1[N+](=O)[O-] ZINC000301410327 553649697 /nfs/dbraw/zinc/64/96/97/553649697.db2.gz ORMSYUGGPMFZKU-GOSISDBHSA-N 1 0 362.474 2.134 20 5 FEBDRO C[C@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301444604 553652017 /nfs/dbraw/zinc/65/20/17/553652017.db2.gz VEXYYXPCXGUPCG-DZGCQCFKSA-N 1 0 371.441 2.478 20 5 FEBDRO C[NH+](C)CCn1cc(Nc2ncc([N+](=O)[O-])cc2Br)cn1 ZINC000301539065 553658910 /nfs/dbraw/zinc/65/89/10/553658910.db2.gz NMRBIKAXXJAZBM-UHFFFAOYSA-N 1 0 355.196 2.254 20 5 FEBDRO Cc1nc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301689996 553672048 /nfs/dbraw/zinc/67/20/48/553672048.db2.gz YFXKEJACOFIHQB-UHFFFAOYSA-N 1 0 363.462 2.337 20 5 FEBDRO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302386681 553715783 /nfs/dbraw/zinc/71/57/83/553715783.db2.gz ATFYTKJDAKVNMZ-ZDUSSCGKSA-N 1 0 364.475 2.360 20 5 FEBDRO Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437110 553716693 /nfs/dbraw/zinc/71/66/93/553716693.db2.gz MMABKGSWFIOKBT-GJZGRUSLSA-N 1 0 371.441 2.252 20 5 FEBDRO COc1cc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(OC)c1 ZINC000507242528 561722249 /nfs/dbraw/zinc/72/22/49/561722249.db2.gz GNPXKBULTDTQOH-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO C[C@@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507875444 561744250 /nfs/dbraw/zinc/74/42/50/561744250.db2.gz PXPIWGHWCQZYLA-ZIAGYGMSSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000330422138 554119814 /nfs/dbraw/zinc/11/98/14/554119814.db2.gz SBWMZNMQBDODDN-UHFFFAOYSA-N 1 0 355.460 2.444 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454967 554123897 /nfs/dbraw/zinc/12/38/97/554123897.db2.gz WODSLLDHCPGQLP-MJBXVCDLSA-N 1 0 351.451 2.009 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000330491589 554128331 /nfs/dbraw/zinc/12/83/31/554128331.db2.gz PIURGLHEQFNKJR-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508184974 561754426 /nfs/dbraw/zinc/75/44/26/561754426.db2.gz KHOATIAXKQXZMX-UHFFFAOYSA-N 1 0 356.430 2.455 20 5 FEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508154561 561753568 /nfs/dbraw/zinc/75/35/68/561753568.db2.gz KOPUAHBIWOCMKK-MRXNPFEDSA-N 1 0 356.430 2.455 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000330828506 554176098 /nfs/dbraw/zinc/17/60/98/554176098.db2.gz SVUMDBZTYIZIDS-UHFFFAOYSA-N 1 0 355.460 2.229 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000331013576 554201344 /nfs/dbraw/zinc/20/13/44/554201344.db2.gz WQGKVAPCILGKPP-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331892484 554340421 /nfs/dbraw/zinc/34/04/21/554340421.db2.gz FSSAEWGLOBIFCP-LBPRGKRZSA-N 1 0 371.434 2.338 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000331912273 554345346 /nfs/dbraw/zinc/34/53/46/554345346.db2.gz NCIUPJGGKCBNRW-RISCZKNCSA-N 1 0 373.862 2.401 20 5 FEBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021949 554365259 /nfs/dbraw/zinc/36/52/59/554365259.db2.gz RCCSOYLWEISQLW-LRDDRELGSA-N 1 0 367.471 2.331 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332246679 554409110 /nfs/dbraw/zinc/40/91/10/554409110.db2.gz ATUWWGUHSOSBHT-RYUDHWBXSA-N 1 0 359.835 2.153 20 5 FEBDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000510013249 561821922 /nfs/dbraw/zinc/82/19/22/561821922.db2.gz KCLYOKIAXWVATR-MRXNPFEDSA-N 1 0 374.372 2.092 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000332631217 554487413 /nfs/dbraw/zinc/48/74/13/554487413.db2.gz UZTQIRGNXPOBMC-BDJLRTHQSA-N 1 0 353.369 2.358 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000511030883 561854414 /nfs/dbraw/zinc/85/44/14/561854414.db2.gz NQIOKPHBHXABFN-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000360324617 554870958 /nfs/dbraw/zinc/87/09/58/554870958.db2.gz WVXKPWWRUZFJEW-ZBFHGGJFSA-N 1 0 360.414 2.214 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388287 554968511 /nfs/dbraw/zinc/96/85/11/554968511.db2.gz CXAQLACZSHKJMA-GJZGRUSLSA-N 1 0 361.398 2.128 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256147 555065741 /nfs/dbraw/zinc/06/57/41/555065741.db2.gz HKTKMMICEROVGL-RCBQFDQVSA-N 1 0 360.370 2.059 20 5 FEBDRO CN(C(=O)CN1CCCC[C@H]1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000363675747 555161546 /nfs/dbraw/zinc/16/15/46/555161546.db2.gz BVKKWPHJBIOKEQ-KRWDZBQOSA-N 1 0 374.441 2.035 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000363695445 555166347 /nfs/dbraw/zinc/16/63/47/555166347.db2.gz BBFUEXDYJRGZNQ-IAGOWNOFSA-N 1 0 372.400 2.367 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000363922570 555214867 /nfs/dbraw/zinc/21/48/67/555214867.db2.gz QURUXDGZIMLEHR-HNNXBMFYSA-N 1 0 363.418 2.108 20 5 FEBDRO COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000364062238 555243012 /nfs/dbraw/zinc/24/30/12/555243012.db2.gz GGSGJYUBKFCUNJ-JCKWVBRZSA-N 1 0 367.421 2.426 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000512556811 561908911 /nfs/dbraw/zinc/90/89/11/561908911.db2.gz HFDQJWIOJMYYAV-UHFFFAOYSA-N 1 0 362.474 2.015 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000365057905 555475321 /nfs/dbraw/zinc/47/53/21/555475321.db2.gz CTIVIZRVKLSZQX-JSGCOSHPSA-N 1 0 359.835 2.140 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000365402192 555565556 /nfs/dbraw/zinc/56/55/56/555565556.db2.gz ITDGRBNQHMCEBC-UHFFFAOYSA-N 1 0 371.434 2.371 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365542944 555604531 /nfs/dbraw/zinc/60/45/31/555604531.db2.gz ANADFKZESLUIBX-SOUVJXGZSA-N 1 0 374.397 2.368 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365859411 555685312 /nfs/dbraw/zinc/68/53/12/555685312.db2.gz GCZFUKAFCQJSHK-BBRMVZONSA-N 1 0 364.471 2.045 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366030477 555731517 /nfs/dbraw/zinc/73/15/17/555731517.db2.gz FMFFYTSPLHLDNT-KRWDZBQOSA-N 1 0 361.446 2.227 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000366202309 555780478 /nfs/dbraw/zinc/78/04/78/555780478.db2.gz OAVFZMASJUCBHR-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c1C ZINC000366474101 555854182 /nfs/dbraw/zinc/85/41/82/555854182.db2.gz MAZIPFAVZSTEKC-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366744283 555923629 /nfs/dbraw/zinc/92/36/29/555923629.db2.gz ICZDEBIWNLVIQA-RBSFLKMASA-N 1 0 363.462 2.321 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367586677 556090536 /nfs/dbraw/zinc/09/05/36/556090536.db2.gz PMSIBNGCCKOAIL-IBGZPJMESA-N 1 0 355.442 2.426 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651926 556105796 /nfs/dbraw/zinc/10/57/96/556105796.db2.gz YDEAFMHIPPKOAK-YOEHRIQHSA-N 1 0 369.425 2.479 20 5 FEBDRO CCC[C@@]1(CO)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000367983293 556187418 /nfs/dbraw/zinc/18/74/18/556187418.db2.gz OILXOFXEEBNHAY-GOSISDBHSA-N 1 0 365.430 2.417 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000368446734 556312286 /nfs/dbraw/zinc/31/22/86/556312286.db2.gz MFHDPCPKCTUYHG-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N(C1CC1)C1CC[NH2+]CC1 ZINC000368554439 556343819 /nfs/dbraw/zinc/34/38/19/556343819.db2.gz DIFZMEARRZEOHW-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368561417 556346192 /nfs/dbraw/zinc/34/61/92/556346192.db2.gz KHDWWVKTNLNWKZ-CYBMUJFWSA-N 1 0 353.854 2.107 20 5 FEBDRO O=C(C[N@@H+]1CC[C@H](Cc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368633755 556370091 /nfs/dbraw/zinc/37/00/91/556370091.db2.gz SOVHXFQIANWYBY-MRXNPFEDSA-N 1 0 366.421 2.444 20 5 FEBDRO COC[C@H]1CCCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000368657274 556376009 /nfs/dbraw/zinc/37/60/09/556376009.db2.gz AUBQQZCDHPRZGR-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662680 556378022 /nfs/dbraw/zinc/37/80/22/556378022.db2.gz JZSYPRCXTNZOPP-QZTJIDSGSA-N 1 0 374.441 2.399 20 5 FEBDRO CC[C@@H]1CCCCN1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467797 562011652 /nfs/dbraw/zinc/01/16/52/562011652.db2.gz OXGDXPYGAJGNAZ-HZPDHXFCSA-N 1 0 351.447 2.189 20 5 FEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000368810685 556419739 /nfs/dbraw/zinc/41/97/39/556419739.db2.gz OWGIMXWVOHAWDZ-ILWJIGKKSA-N 1 0 354.204 2.452 20 5 FEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000368810687 556419743 /nfs/dbraw/zinc/41/97/43/556419743.db2.gz OWGIMXWVOHAWDZ-OWUUHHOZSA-N 1 0 354.204 2.452 20 5 FEBDRO CCOc1cccc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000368871303 556434401 /nfs/dbraw/zinc/43/44/01/556434401.db2.gz XQNJJQISAWPGAR-HZPDHXFCSA-N 1 0 362.474 2.456 20 5 FEBDRO COC(=O)c1cnc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000368974096 556464690 /nfs/dbraw/zinc/46/46/90/556464690.db2.gz NVEJZVCFIATMDD-CQSZACIVSA-N 1 0 374.441 2.477 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnc2n1CCOC2 ZINC000368989722 556469259 /nfs/dbraw/zinc/46/92/59/556469259.db2.gz KDZUOBVZGZRALV-UKRRQHHQSA-N 1 0 357.414 2.218 20 5 FEBDRO Cn1c(Cl)cnc1CN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000369205739 556535694 /nfs/dbraw/zinc/53/56/94/556535694.db2.gz KUBOSRCUODBULP-UHFFFAOYSA-N 1 0 364.837 2.276 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266384 556555953 /nfs/dbraw/zinc/55/59/53/556555953.db2.gz LRRDUFSHFFGFBY-AWEZNQCLSA-N 1 0 373.457 2.060 20 5 FEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369316148 556572911 /nfs/dbraw/zinc/57/29/11/556572911.db2.gz YPENJEOKDVEJGZ-CQSZACIVSA-N 1 0 363.414 2.193 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000369698225 556671900 /nfs/dbraw/zinc/67/19/00/556671900.db2.gz VAFMLOVADHEAGT-NFAHFFEMSA-N 1 0 359.426 2.320 20 5 FEBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516866703 562061541 /nfs/dbraw/zinc/06/15/41/562061541.db2.gz LWKGIWZNOKXOHY-SNVBAGLBSA-N 1 0 369.365 2.409 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](CCc4ccc([N+](=O)[O-])cc4)C[C@H]3C2)no1 ZINC000370744650 556956022 /nfs/dbraw/zinc/95/60/22/556956022.db2.gz IAALXMVFXUDTBP-HOTGVXAUSA-N 1 0 371.441 2.147 20 5 FEBDRO Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000370819168 556978677 /nfs/dbraw/zinc/97/86/77/556978677.db2.gz JHCARHHVTLFGRP-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827259 556981148 /nfs/dbraw/zinc/98/11/48/556981148.db2.gz RIEQAXZKDWYYBR-OCCSQVGLSA-N 1 0 373.331 2.207 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370930373 557020259 /nfs/dbraw/zinc/02/02/59/557020259.db2.gz ZZEGLYNTAKSRLJ-BEFAXECRSA-N 1 0 371.441 2.070 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227268 557112752 /nfs/dbraw/zinc/11/27/52/557112752.db2.gz CIQQXWVPVXUXBJ-ABAIWWIYSA-N 1 0 363.805 2.394 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371334866 557150644 /nfs/dbraw/zinc/15/06/44/557150644.db2.gz HKGORJASVHJGPK-HNNXBMFYSA-N 1 0 352.398 2.348 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371356065 557158619 /nfs/dbraw/zinc/15/86/19/557158619.db2.gz VAZNUKOUYODDQD-RUEXWFJESA-N 1 0 372.469 2.092 20 5 FEBDRO COc1cc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000518082454 562104083 /nfs/dbraw/zinc/10/40/83/562104083.db2.gz QYLKPNQLLVDPJH-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517867690 562099521 /nfs/dbraw/zinc/09/95/21/562099521.db2.gz XASAQUIPHSLIBD-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518796735 562118843 /nfs/dbraw/zinc/11/88/43/562118843.db2.gz WLJHGMRYUIWMPY-UHFFFAOYSA-N 1 0 369.393 2.079 20 5 FEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518977288 562122378 /nfs/dbraw/zinc/12/23/78/562122378.db2.gz IEESXSBQOYQDBD-FUHWJXTLSA-N 1 0 361.442 2.272 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373065602 557620441 /nfs/dbraw/zinc/62/04/41/557620441.db2.gz IWJCOZDQEOBZQS-ZANVPECISA-N 1 0 354.204 2.181 20 5 FEBDRO COC(=O)c1ccccc1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240827 557656697 /nfs/dbraw/zinc/65/66/97/557656697.db2.gz IICGXCXYXKGLKL-UHFFFAOYSA-N 1 0 374.397 2.294 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000373394689 557686118 /nfs/dbraw/zinc/68/61/18/557686118.db2.gz VEUQETKMNGDLBB-UHFFFAOYSA-N 1 0 367.471 2.373 20 5 FEBDRO CN(C)c1ccc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000373584282 557723253 /nfs/dbraw/zinc/72/32/53/557723253.db2.gz SRJKSGNQCDWRIH-IBGZPJMESA-N 1 0 373.457 2.098 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000373804152 557762637 /nfs/dbraw/zinc/76/26/37/557762637.db2.gz GQXCWSOMYCJFES-SJLPKXTDSA-N 1 0 363.414 2.193 20 5 FEBDRO CC[NH+]1CCC(N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000373980099 557800301 /nfs/dbraw/zinc/80/03/01/557800301.db2.gz BZXRYDQPMBYZDX-UHFFFAOYSA-N 1 0 363.462 2.274 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374403034 557879664 /nfs/dbraw/zinc/87/96/64/557879664.db2.gz ULDIDPNDQYEAHI-KRWDZBQOSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000374433382 557883525 /nfs/dbraw/zinc/88/35/25/557883525.db2.gz ATJIOUIGXZKDMY-CYBMUJFWSA-N 1 0 364.427 2.264 20 5 FEBDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850214 557940594 /nfs/dbraw/zinc/94/05/94/557940594.db2.gz KVBGPXUPSKFCFU-SJLPKXTDSA-N 1 0 371.441 2.405 20 5 FEBDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967339 557957409 /nfs/dbraw/zinc/95/74/09/557957409.db2.gz AXXRAPNIRRJKJQ-HRCADAONSA-N 1 0 369.425 2.348 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375038734 557968102 /nfs/dbraw/zinc/96/81/02/557968102.db2.gz LVOPSONJDKXPAF-NHYWBVRUSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@@H]21 ZINC000375050317 557970001 /nfs/dbraw/zinc/97/00/01/557970001.db2.gz QIGUPNDMKMDDNF-KDOFPFPSSA-N 1 0 358.442 2.361 20 5 FEBDRO COc1cc(OCC(=O)N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000375207722 557992159 /nfs/dbraw/zinc/99/21/59/557992159.db2.gz MXKQIQUJIOODPT-UHFFFAOYSA-N 1 0 363.414 2.069 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1(C2CC2)CCOCC1 ZINC000375700592 558069731 /nfs/dbraw/zinc/06/97/31/558069731.db2.gz HCNQNGSKXPIUAS-LBPRGKRZSA-N 1 0 363.414 2.479 20 5 FEBDRO CCc1cc(N[C@H]2CC[N@H+](CCOC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521667046 562181729 /nfs/dbraw/zinc/18/17/29/562181729.db2.gz PHKJNXYAXWNDDO-INIZCTEOSA-N 1 0 371.441 2.169 20 5 FEBDRO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000376216341 558142712 /nfs/dbraw/zinc/14/27/12/558142712.db2.gz ACMPCYRGAFRMCZ-AEGPPILISA-N 1 0 360.414 2.005 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000376493796 558180812 /nfs/dbraw/zinc/18/08/12/558180812.db2.gz BJZLCHQJKXQXEU-UHFFFAOYSA-N 1 0 360.418 2.098 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569793 558191996 /nfs/dbraw/zinc/19/19/96/558191996.db2.gz PXSXQGCPZYQMOT-KSSFIOAISA-N 1 0 369.425 2.479 20 5 FEBDRO CN1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376827314 558226531 /nfs/dbraw/zinc/22/65/31/558226531.db2.gz HUPCXXBULSDLAX-PBHICJAKSA-N 1 0 358.373 2.491 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c1 ZINC000377725900 558406095 /nfs/dbraw/zinc/40/60/95/558406095.db2.gz RJEHCUAMCQRYFN-BBRMVZONSA-N 1 0 350.806 2.153 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377763842 558415179 /nfs/dbraw/zinc/41/51/79/558415179.db2.gz QJCBRMGTTHHKLJ-OLZOCXBDSA-N 1 0 365.434 2.017 20 5 FEBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000522852139 562204911 /nfs/dbraw/zinc/20/49/11/562204911.db2.gz HQQJJNXLUYFYRB-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000378007701 558462259 /nfs/dbraw/zinc/46/22/59/558462259.db2.gz QGZRNKWZDUCVOZ-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCn2cncc2C1 ZINC000378112311 558483792 /nfs/dbraw/zinc/48/37/92/558483792.db2.gz UUEVVYHUYNDSAA-UHFFFAOYSA-N 1 0 351.160 2.210 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378233047 558507555 /nfs/dbraw/zinc/50/75/55/558507555.db2.gz UJIANPCNINGHCR-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000523381593 562212157 /nfs/dbraw/zinc/21/21/57/562212157.db2.gz HQBPVECLEYIWMK-UHFFFAOYSA-N 1 0 369.425 2.014 20 5 FEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000389757891 558610063 /nfs/dbraw/zinc/61/00/63/558610063.db2.gz XIEGEUWAVNTRKL-LBPRGKRZSA-N 1 0 356.220 2.475 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000397254810 558623960 /nfs/dbraw/zinc/62/39/60/558623960.db2.gz HUEXEBAWTZMYTE-MXWKQRLJSA-N 1 0 361.851 2.242 20 5 FEBDRO C[N@@H+]1CCCC12CCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000408103532 558646502 /nfs/dbraw/zinc/64/65/02/558646502.db2.gz IBYJNVKFRZPKEY-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105926 562240634 /nfs/dbraw/zinc/24/06/34/562240634.db2.gz BYPVXSXDDJIIMZ-UWVGGRQHSA-N 1 0 373.356 2.417 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411258983 558862320 /nfs/dbraw/zinc/86/23/20/558862320.db2.gz AEVKJNMCAUSEJH-INIZCTEOSA-N 1 0 374.441 2.222 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000411395839 558887479 /nfs/dbraw/zinc/88/74/79/558887479.db2.gz DYBHBASTCWVQDF-HNNXBMFYSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411401367 558888092 /nfs/dbraw/zinc/88/80/92/558888092.db2.gz XHYDFKMEGQXKRA-WBMJQRKESA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC2([NH+](C)C)CCCC2)c1F ZINC000411409633 558889937 /nfs/dbraw/zinc/88/99/37/558889937.db2.gz UCGQOCVTMKUBCD-UHFFFAOYSA-N 1 0 353.394 2.276 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411885793 558983101 /nfs/dbraw/zinc/98/31/01/558983101.db2.gz JQXCZRUMMAHCIJ-LZQZEXGQSA-N 1 0 358.394 2.237 20 5 FEBDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000412041392 559005423 /nfs/dbraw/zinc/00/54/23/559005423.db2.gz MROKHECDRWFGIG-ZDUSSCGKSA-N 1 0 358.402 2.148 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412090363 559012123 /nfs/dbraw/zinc/01/21/23/559012123.db2.gz UGMRCEYPRIRVDV-CQSZACIVSA-N 1 0 362.430 2.221 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412119814 559015510 /nfs/dbraw/zinc/01/55/10/559015510.db2.gz CZLQVXJLHYOROF-FGTMMUONSA-N 1 0 361.442 2.268 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289771 559025263 /nfs/dbraw/zinc/02/52/63/559025263.db2.gz NWFLNAHJRSIUOL-ZOCIIQOWSA-N 1 0 373.453 2.410 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1F ZINC000412414064 559034075 /nfs/dbraw/zinc/03/40/75/559034075.db2.gz FZJPLOYXHPIRIM-GFCCVEGCSA-N 1 0 353.394 2.133 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1F ZINC000413630160 559121397 /nfs/dbraw/zinc/12/13/97/559121397.db2.gz KIRGPNWCEHBMDH-GXTWGEPZSA-N 1 0 365.405 2.228 20 5 FEBDRO CCOc1cc(NC(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC ZINC000414755958 559185434 /nfs/dbraw/zinc/18/54/34/559185434.db2.gz ILUWYURYCKTRRY-UHFFFAOYSA-N 1 0 352.391 2.266 20 5 FEBDRO C[NH2+]Cc1cccc(NCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1 ZINC000414871189 559191878 /nfs/dbraw/zinc/19/18/78/559191878.db2.gz STXYHTNKJVBXRQ-UHFFFAOYSA-N 1 0 359.382 2.478 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N[C@@H]1C[NH2+]CCC1(F)F ZINC000414947700 559196643 /nfs/dbraw/zinc/19/66/43/559196643.db2.gz LDDCEBSQGVMKBR-SNVBAGLBSA-N 1 0 366.271 2.315 20 5 FEBDRO [NH3+]C1(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCCC1 ZINC000415318819 559223802 /nfs/dbraw/zinc/22/38/02/559223802.db2.gz REYTVLPXNPLEOX-UHFFFAOYSA-N 1 0 368.821 2.355 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415635856 559257106 /nfs/dbraw/zinc/25/71/06/559257106.db2.gz FAQXOAIBRHMELV-UHFFFAOYSA-N 1 0 368.393 2.015 20 5 FEBDRO Cc1c(NC(=O)N2CC[NH2+][C@H](C)C2)cc(Br)cc1[N+](=O)[O-] ZINC000415650171 559258163 /nfs/dbraw/zinc/25/81/63/559258163.db2.gz FJYGJCIWOSXTFR-MRVPVSSYSA-N 1 0 357.208 2.491 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415715669 559264589 /nfs/dbraw/zinc/26/45/89/559264589.db2.gz XQHDFKMYQASGHV-UHFFFAOYSA-N 1 0 366.393 2.040 20 5 FEBDRO [NH3+]CCOc1ccc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000415944328 559283696 /nfs/dbraw/zinc/28/36/96/559283696.db2.gz ICYUZHDQVBFQBF-UHFFFAOYSA-N 1 0 372.381 2.359 20 5 FEBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)(C)C[NH+]1CCCC1 ZINC000416097777 559291881 /nfs/dbraw/zinc/29/18/81/559291881.db2.gz GCJOCENYKQIJSU-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307768 559356779 /nfs/dbraw/zinc/35/67/79/559356779.db2.gz HGNSSBISLWQVJY-MSOLQXFVSA-N 1 0 360.458 2.292 20 5 FEBDRO CC(C)NS(=O)(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313982 559357140 /nfs/dbraw/zinc/35/71/40/559357140.db2.gz XQZYQAVKLLGCAA-INIZCTEOSA-N 1 0 355.460 2.280 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712199 559373666 /nfs/dbraw/zinc/37/36/66/559373666.db2.gz FVONAJZCPIMTSH-HUUCEWRRSA-N 1 0 363.462 2.474 20 5 FEBDRO COCC1(CNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000417822258 559377771 /nfs/dbraw/zinc/37/77/71/559377771.db2.gz FJJMBOBFJZAERI-CQSZACIVSA-N 1 0 364.446 2.280 20 5 FEBDRO COC[C@@]1(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000417858934 559379686 /nfs/dbraw/zinc/37/96/86/559379686.db2.gz VONKGXFGHWQBIE-GUYCJALGSA-N 1 0 350.419 2.032 20 5 FEBDRO C[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000418002622 559386064 /nfs/dbraw/zinc/38/60/64/559386064.db2.gz YYGFLSVYAPGWEF-DGCLKSJQSA-N 1 0 354.838 2.478 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088099 559389734 /nfs/dbraw/zinc/38/97/34/559389734.db2.gz JIYMEAUOLVZGDR-JTQLQIEISA-N 1 0 360.336 2.412 20 5 FEBDRO COc1cc(CNCC2([NH+](C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000418116563 559390608 /nfs/dbraw/zinc/39/06/08/559390608.db2.gz QYBSDANDYMVBBY-UHFFFAOYSA-N 1 0 359.373 2.431 20 5 FEBDRO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001115 559425152 /nfs/dbraw/zinc/42/51/52/559425152.db2.gz LHNHHSKGJLVVFA-CABCVRRESA-N 1 0 371.441 2.252 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000420317299 559480086 /nfs/dbraw/zinc/48/00/86/559480086.db2.gz ZIIZUFNZFHVAGL-VHRBIJSZSA-N 1 0 352.822 2.246 20 5 FEBDRO CCOc1ccc(NC(=O)CN[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])c1 ZINC000420368364 559483492 /nfs/dbraw/zinc/48/34/92/559483492.db2.gz WQUMLBCOPLFUPQ-MRXNPFEDSA-N 1 0 364.446 2.429 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420384772 559484437 /nfs/dbraw/zinc/48/44/37/559484437.db2.gz GTSZJWQXNATXEX-UYHISHBKSA-N 1 0 372.400 2.488 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420615058 559493950 /nfs/dbraw/zinc/49/39/50/559493950.db2.gz ZIURJKYQUWJKBH-YOEHRIQHSA-N 1 0 369.425 2.218 20 5 FEBDRO C[N@@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000420620423 559494195 /nfs/dbraw/zinc/49/41/95/559494195.db2.gz DICAYUYPMIPOMC-HNNXBMFYSA-N 1 0 354.410 2.057 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421355546 559540105 /nfs/dbraw/zinc/54/01/05/559540105.db2.gz ZQSCZMACKXQJEM-MGPQQGTHSA-N 1 0 362.430 2.193 20 5 FEBDRO COC1([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421397948 559541228 /nfs/dbraw/zinc/54/12/28/559541228.db2.gz FHMQBBVXLDUDOY-ZIAGYGMSSA-N 1 0 365.430 2.486 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCc4nnnn4CC3)cs2)c1 ZINC000421399056 559541256 /nfs/dbraw/zinc/54/12/56/559541256.db2.gz PJNYYGDNAVRFJS-LBPRGKRZSA-N 1 0 371.426 2.200 20 5 FEBDRO CC(C)(NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000423274253 559624228 /nfs/dbraw/zinc/62/42/28/559624228.db2.gz LQIQTIBLNWOMOF-MRXNPFEDSA-N 1 0 357.414 2.381 20 5 FEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000424035500 559652012 /nfs/dbraw/zinc/65/20/12/559652012.db2.gz CSUTVLUIIUSWPP-HNNXBMFYSA-N 1 0 350.394 2.166 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000424055697 559652834 /nfs/dbraw/zinc/65/28/34/559652834.db2.gz RKDWKTGWJIJNAK-UHFFFAOYSA-N 1 0 353.806 2.372 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC000424075661 559653911 /nfs/dbraw/zinc/65/39/11/559653911.db2.gz PMCBVJWEZVIVAY-WOPDTQHZSA-N 1 0 358.398 2.294 20 5 FEBDRO C[C@@H]1CC2(CN1C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CC[NH2+]CC2 ZINC000424251416 559659294 /nfs/dbraw/zinc/65/92/94/559659294.db2.gz ZQJPJCGOESUZEY-CQSZACIVSA-N 1 0 369.425 2.385 20 5 FEBDRO CCOC(=O)c1cc(N2CC[NH+](C(C)(C)COC)CC2)ccc1[N+](=O)[O-] ZINC000425276936 559694484 /nfs/dbraw/zinc/69/44/84/559694484.db2.gz HOCMWUKFOPEXBX-UHFFFAOYSA-N 1 0 365.430 2.319 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000425357643 559697960 /nfs/dbraw/zinc/69/79/60/559697960.db2.gz YPBFQYFSNVRVNJ-UHFFFAOYSA-N 1 0 367.446 2.155 20 5 FEBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000425446056 559702699 /nfs/dbraw/zinc/70/26/99/559702699.db2.gz OMHQZZHJJSQGEV-UHFFFAOYSA-N 1 0 359.220 2.331 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425473751 559704136 /nfs/dbraw/zinc/70/41/36/559704136.db2.gz ISSQZUMBCAYZNC-KRWDZBQOSA-N 1 0 364.446 2.204 20 5 FEBDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425516164 559707262 /nfs/dbraw/zinc/70/72/62/559707262.db2.gz UJWYYPDQXOYFJC-ZDUSSCGKSA-N 1 0 368.821 2.339 20 5 FEBDRO COCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000426530269 559736950 /nfs/dbraw/zinc/73/69/50/559736950.db2.gz OKAFVCYFFDRMNS-KRWDZBQOSA-N 1 0 360.414 2.233 20 5 FEBDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000427130383 559748779 /nfs/dbraw/zinc/74/87/79/559748779.db2.gz HWUUMIJHIFZVKS-ZYHUDNBSSA-N 1 0 357.357 2.389 20 5 FEBDRO CC[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000427201330 559750316 /nfs/dbraw/zinc/75/03/16/559750316.db2.gz ZHKOUEPTAHHVAH-MRXNPFEDSA-N 1 0 371.441 2.378 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C[C@H]2C1 ZINC000427789968 559762582 /nfs/dbraw/zinc/76/25/82/559762582.db2.gz PSPVYXGJYLCBCO-BETUJISGSA-N 1 0 365.408 2.454 20 5 FEBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000427958221 559766222 /nfs/dbraw/zinc/76/62/22/559766222.db2.gz MQBVLNRTPBJDAH-VIFPVBQESA-N 1 0 369.365 2.409 20 5 FEBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428913937 559785805 /nfs/dbraw/zinc/78/58/05/559785805.db2.gz XGYPOADWYULYNH-LBPRGKRZSA-N 1 0 357.414 2.195 20 5 FEBDRO O=C1[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000429226498 559793256 /nfs/dbraw/zinc/79/32/56/559793256.db2.gz KUHYNZYOHGYBOC-GUYCJALGSA-N 1 0 353.378 2.163 20 5 FEBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1C ZINC000431953817 559849255 /nfs/dbraw/zinc/84/92/55/559849255.db2.gz VWKXCINWUHDSKY-FUHWJXTLSA-N 1 0 373.413 2.003 20 5 FEBDRO C[NH+](C)C1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000432495234 559859769 /nfs/dbraw/zinc/85/97/69/559859769.db2.gz HGVLCOUQGXAHPN-UHFFFAOYSA-N 1 0 358.398 2.074 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433017083 559870110 /nfs/dbraw/zinc/87/01/10/559870110.db2.gz XDKBEDIZCDMVIC-UHOFOFEASA-N 1 0 351.403 2.096 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000435431671 559922947 /nfs/dbraw/zinc/92/29/47/559922947.db2.gz JWIROADIWCRIQX-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO Cn1ccnc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC12CC[NH2+]CC2 ZINC000435684913 559928108 /nfs/dbraw/zinc/92/81/08/559928108.db2.gz WYYGIARPGLVHCR-KRWDZBQOSA-N 1 0 355.442 2.473 20 5 FEBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000436057121 559934390 /nfs/dbraw/zinc/93/43/90/559934390.db2.gz UXROEKTWIOPRNR-CQSZACIVSA-N 1 0 354.838 2.068 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1CCO ZINC000438642869 559981641 /nfs/dbraw/zinc/98/16/41/559981641.db2.gz CGTZLYAFGRHBTE-CQSZACIVSA-N 1 0 353.444 2.032 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1CCO ZINC000438642868 559981678 /nfs/dbraw/zinc/98/16/78/559981678.db2.gz CGTZLYAFGRHBTE-AWEZNQCLSA-N 1 0 353.444 2.032 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@@H]1CCCSC1 ZINC000439008804 559987120 /nfs/dbraw/zinc/98/71/20/559987120.db2.gz UKHQISLFUYWFQZ-OAHLLOKOSA-N 1 0 367.471 2.422 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000440094464 560004661 /nfs/dbraw/zinc/00/46/61/560004661.db2.gz VRAFDVLMKJOUER-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000440592515 560014761 /nfs/dbraw/zinc/01/47/61/560014761.db2.gz GUVDRYACNRNEJE-UHFFFAOYSA-N 1 0 356.373 2.228 20 5 FEBDRO CC(C)C[N@@H+](Cc1ccccc1F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441549290 560035448 /nfs/dbraw/zinc/03/54/48/560035448.db2.gz XCYIHLRRMQJMKJ-INIZCTEOSA-N 1 0 350.394 2.450 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443765910 560092118 /nfs/dbraw/zinc/09/21/18/560092118.db2.gz TZYLUFWWPMNYPF-UKRRQHHQSA-N 1 0 355.460 2.229 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443772567 560092289 /nfs/dbraw/zinc/09/22/89/560092289.db2.gz OHMKKUNVRSUKTI-UHFFFAOYSA-N 1 0 369.487 2.478 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c1[N+](=O)[O-] ZINC000444277127 560107882 /nfs/dbraw/zinc/10/78/82/560107882.db2.gz PPPMJLXDJOUVPY-UHFFFAOYSA-N 1 0 373.413 2.089 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444290826 560108250 /nfs/dbraw/zinc/10/82/50/560108250.db2.gz PGIYLAMFBHORNC-UHFFFAOYSA-N 1 0 371.412 2.128 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444652818 560117686 /nfs/dbraw/zinc/11/76/86/560117686.db2.gz UMOJZGBOKUATSC-UHFFFAOYSA-N 1 0 358.401 2.340 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191889 560130583 /nfs/dbraw/zinc/13/05/83/560130583.db2.gz YCEOWBWCAAKWLQ-WFASDCNBSA-N 1 0 356.382 2.261 20 5 FEBDRO COCC[C@@]1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000447397269 560161500 /nfs/dbraw/zinc/16/15/00/560161500.db2.gz NKDBSOCRAUMPCM-QGZVFWFLSA-N 1 0 351.403 2.017 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCN1CC[NH+](C)CC1 ZINC000447802313 560169437 /nfs/dbraw/zinc/16/94/37/560169437.db2.gz JOCCSDBHANPEPS-UHFFFAOYSA-N 1 0 370.837 2.084 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000447807450 560169554 /nfs/dbraw/zinc/16/95/54/560169554.db2.gz ROBVXLRIEMPJGV-SJORKVTESA-N 1 0 360.458 2.466 20 5 FEBDRO CC1=CC[N@H+](CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447819336 560170006 /nfs/dbraw/zinc/17/00/06/560170006.db2.gz ZIMDLEGSBBMCRE-UHFFFAOYSA-N 1 0 360.458 2.491 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447945023 560174377 /nfs/dbraw/zinc/17/43/77/560174377.db2.gz UVECMPGPHMIKDP-HNNXBMFYSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000449467639 560231376 /nfs/dbraw/zinc/23/13/76/560231376.db2.gz BISUPLKKUKCYHM-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1(C[NH3+])CCC1 ZINC000449684051 560236745 /nfs/dbraw/zinc/23/67/45/560236745.db2.gz KMNQFXDPSKUTAY-UHFFFAOYSA-N 1 0 356.220 2.240 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710912 560237789 /nfs/dbraw/zinc/23/77/89/560237789.db2.gz CBFMYGIOFVFQEN-YPMHNXCESA-N 1 0 353.444 2.080 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449914501 560245175 /nfs/dbraw/zinc/24/51/75/560245175.db2.gz VHADCFSAXBDMBA-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985941 560247340 /nfs/dbraw/zinc/24/73/40/560247340.db2.gz NPPFVLDMXPESEW-SJKOYZFVSA-N 1 0 357.414 2.397 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@]1([NH+](C)C)CCSC1 ZINC000450365281 560259969 /nfs/dbraw/zinc/25/99/69/560259969.db2.gz NNQVLXZLOZJZGD-QGZVFWFLSA-N 1 0 362.455 2.423 20 5 FEBDRO COc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000450374457 560260472 /nfs/dbraw/zinc/26/04/72/560260472.db2.gz BWKROCWLPNRUJF-UHFFFAOYSA-N 1 0 351.378 2.443 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451292903 560298548 /nfs/dbraw/zinc/29/85/48/560298548.db2.gz BZYMPTPZZMEACB-UHTWSYAYSA-N 1 0 350.341 2.253 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341105 560301418 /nfs/dbraw/zinc/30/14/18/560301418.db2.gz KRVNRUWYDRBXKH-YQVWRLOYSA-N 1 0 373.453 2.499 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451475782 560309228 /nfs/dbraw/zinc/30/92/28/560309228.db2.gz DELBVUMHRZAPGS-CLROSIBMSA-N 1 0 350.415 2.128 20 5 FEBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](Cc2ccccc2)C1 ZINC000451707581 560323589 /nfs/dbraw/zinc/32/35/89/560323589.db2.gz LPFYZOSRHZFMRQ-QGZVFWFLSA-N 1 0 370.453 2.210 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451782416 560328293 /nfs/dbraw/zinc/32/82/93/560328293.db2.gz QSPALMZCSRBXOH-ZDUSSCGKSA-N 1 0 353.419 2.271 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000451882964 560334376 /nfs/dbraw/zinc/33/43/76/560334376.db2.gz DJEJZLGOXPWPFH-UHFFFAOYSA-N 1 0 357.476 2.177 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c1C ZINC000452090199 560350487 /nfs/dbraw/zinc/35/04/87/560350487.db2.gz URFMHXYHTNPYNR-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452386276 560362504 /nfs/dbraw/zinc/36/25/04/560362504.db2.gz WQCKOJGTWWMTSS-IAGOWNOFSA-N 1 0 363.458 2.127 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000452712894 560372024 /nfs/dbraw/zinc/37/20/24/560372024.db2.gz AMJATYZSHJWUNZ-UHFFFAOYSA-N 1 0 370.409 2.480 20 5 FEBDRO CON1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000453613080 560391168 /nfs/dbraw/zinc/39/11/68/560391168.db2.gz BFOHNTLKAFLZFQ-UHFFFAOYSA-N 1 0 359.430 2.453 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454391188 560442684 /nfs/dbraw/zinc/44/26/84/560442684.db2.gz UVCFKGFBOJPERU-AWEZNQCLSA-N 1 0 355.398 2.036 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457095117 560548334 /nfs/dbraw/zinc/54/83/34/560548334.db2.gz PIYOEPVHNUYPHL-AWEZNQCLSA-N 1 0 367.471 2.234 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[C@@H]1c1ccc(F)cc1 ZINC000457370956 560564118 /nfs/dbraw/zinc/56/41/18/560564118.db2.gz HNJNPTFQVYVZKE-QZTJIDSGSA-N 1 0 373.384 2.456 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000458178194 560607117 /nfs/dbraw/zinc/60/71/17/560607117.db2.gz WEHNYBKBUAKHQE-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO CSC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000460969719 560757771 /nfs/dbraw/zinc/75/77/71/560757771.db2.gz ONPLVCLKUKROAY-UHFFFAOYSA-N 1 0 355.435 2.220 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000461548250 560775164 /nfs/dbraw/zinc/77/51/64/560775164.db2.gz XCOZXBPYUWUAHP-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000464799632 560851561 /nfs/dbraw/zinc/85/15/61/560851561.db2.gz QTHCUZYJQODEOY-LJQANCHMSA-N 1 0 370.409 2.394 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713617 560915558 /nfs/dbraw/zinc/91/55/58/560915558.db2.gz MVPPIATZXHFMAN-QFYYESIMSA-N 1 0 356.382 2.061 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469932574 560969310 /nfs/dbraw/zinc/96/93/10/560969310.db2.gz KUSHPVQZYKHBRQ-KRWDZBQOSA-N 1 0 361.442 2.241 20 5 FEBDRO C[C@H](C[NH3+])NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000470480874 560983158 /nfs/dbraw/zinc/98/31/58/560983158.db2.gz YNBUBBJVEZIJTN-SNVBAGLBSA-N 1 0 374.363 2.293 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000471170102 560999617 /nfs/dbraw/zinc/99/96/17/560999617.db2.gz SSEMKUIAVIZWRU-CYBMUJFWSA-N 1 0 371.397 2.496 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000472226874 561021515 /nfs/dbraw/zinc/02/15/15/561021515.db2.gz YQBVTOISAHEGRD-UHFFFAOYSA-N 1 0 359.430 2.457 20 5 FEBDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603152 561030794 /nfs/dbraw/zinc/03/07/94/561030794.db2.gz CDFYDYWQOPTZEY-HZPDHXFCSA-N 1 0 357.414 2.424 20 5 FEBDRO Cn1c(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1[N+](=O)[O-] ZINC000473518736 561051823 /nfs/dbraw/zinc/05/18/23/561051823.db2.gz APULETRSJDPODD-UHFFFAOYSA-N 1 0 374.363 2.468 20 5 FEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000473786400 561057688 /nfs/dbraw/zinc/05/76/88/561057688.db2.gz RYPBHRRLPWRNRV-IRXDYDNUSA-N 1 0 362.430 2.403 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000473940008 561061300 /nfs/dbraw/zinc/06/13/00/561061300.db2.gz LPBVSPRGFVSQQE-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000473990729 561063030 /nfs/dbraw/zinc/06/30/30/561063030.db2.gz AKPISTJTQIUOJJ-UKRRQHHQSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1[N+](=O)[O-] ZINC000473990727 561063051 /nfs/dbraw/zinc/06/30/51/561063051.db2.gz AKPISTJTQIUOJJ-DZGCQCFKSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474005738 561063268 /nfs/dbraw/zinc/06/32/68/561063268.db2.gz MTLZBNDIRQXFIG-WMLDXEAASA-N 1 0 364.398 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000474350211 561071883 /nfs/dbraw/zinc/07/18/83/561071883.db2.gz BOHRRDSKWQVFJT-UHFFFAOYSA-N 1 0 360.366 2.445 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475097277 561090395 /nfs/dbraw/zinc/09/03/95/561090395.db2.gz YUKSSYMNGBJKGQ-GDBMZVCRSA-N 1 0 366.414 2.130 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000475706400 561102803 /nfs/dbraw/zinc/10/28/03/561102803.db2.gz PBWDYBPYVHMAGH-HUUCEWRRSA-N 1 0 364.398 2.148 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476421569 561119078 /nfs/dbraw/zinc/11/90/78/561119078.db2.gz YSHCRFQASPGCCG-ZDUSSCGKSA-N 1 0 360.414 2.043 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000530710806 562421393 /nfs/dbraw/zinc/42/13/93/562421393.db2.gz SQJHOOISVBUZHM-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000531977006 562462998 /nfs/dbraw/zinc/46/29/98/562462998.db2.gz FXKVUUXSHNLYET-AWEZNQCLSA-N 1 0 369.421 2.431 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000532122259 562467662 /nfs/dbraw/zinc/46/76/62/562467662.db2.gz GLIIUYWYJWZJGF-UHFFFAOYSA-N 1 0 369.468 2.341 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCO)CC1 ZINC000532552898 562480955 /nfs/dbraw/zinc/48/09/55/562480955.db2.gz WSUXWIGFZAIPHA-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000532563331 562481522 /nfs/dbraw/zinc/48/15/22/562481522.db2.gz OPBZJWXGABVLFQ-IUODEOHRSA-N 1 0 373.409 2.412 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)cn1 ZINC000534336973 562532111 /nfs/dbraw/zinc/53/21/11/562532111.db2.gz MIIZOFGIXVGXJL-UHFFFAOYSA-N 1 0 364.409 2.498 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000535755634 562566866 /nfs/dbraw/zinc/56/68/66/562566866.db2.gz URZFWOOPPYOABL-UHFFFAOYSA-N 1 0 364.446 2.200 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536856633 562581596 /nfs/dbraw/zinc/58/15/96/562581596.db2.gz GVYXVXQQNGCCKT-CHWSQXEVSA-N 1 0 355.460 2.287 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000537013853 562584054 /nfs/dbraw/zinc/58/40/54/562584054.db2.gz SYPZOGCZIOGDRO-JKSUJKDBSA-N 1 0 353.444 2.041 20 5 FEBDRO CS[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000541843664 567951737 /nfs/dbraw/zinc/95/17/37/567951737.db2.gz HXOLGFAFJGXLOW-HOTGVXAUSA-N 1 0 364.471 2.045 20 5 FEBDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602574662 567996507 /nfs/dbraw/zinc/99/65/07/567996507.db2.gz LDYYNHQRTXYTDA-UHFFFAOYSA-N 1 0 350.238 2.281 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000568501661 568038516 /nfs/dbraw/zinc/03/85/16/568038516.db2.gz VXVNSFFXEBEMJN-QGZVFWFLSA-N 1 0 374.393 2.336 20 5 FEBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568812891 568229600 /nfs/dbraw/zinc/22/96/00/568229600.db2.gz WSYGIOLAHKKSQO-CYBMUJFWSA-N 1 0 350.419 2.228 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(CCO)CCCCC2)cc1 ZINC000570044322 568443209 /nfs/dbraw/zinc/44/32/09/568443209.db2.gz FBSUMKUFPXHYHH-UHFFFAOYSA-N 1 0 370.471 2.291 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000570626328 568492013 /nfs/dbraw/zinc/49/20/13/568492013.db2.gz HLVMIFCBQRAMBH-MISXGVKJSA-N 1 0 354.769 2.090 20 5 FEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000570749380 568510664 /nfs/dbraw/zinc/51/06/64/568510664.db2.gz SDBGXFSEORXEDR-SZMVWBNQSA-N 1 0 374.441 2.330 20 5 FEBDRO C[NH+]1CCC(NC(=S)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000809167224 674486139 /nfs/dbraw/zinc/48/61/39/674486139.db2.gz OILIDZUTUWPYOS-UHFFFAOYSA-N 1 0 361.471 2.177 20 5 FEBDRO Cc1cc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(C)o1 ZINC000809728136 674507473 /nfs/dbraw/zinc/50/74/73/674507473.db2.gz MBCSXPDHINTZMJ-UHFFFAOYSA-N 1 0 367.427 2.173 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809835603 674514880 /nfs/dbraw/zinc/51/48/80/674514880.db2.gz KZKXFZAJWHSGCY-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000809860242 674517741 /nfs/dbraw/zinc/51/77/41/674517741.db2.gz IWLQKVJMHUBXCW-GFCCVEGCSA-N 1 0 361.439 2.441 20 5 FEBDRO CC(=O)NCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCSCC1 ZINC000558863623 674518584 /nfs/dbraw/zinc/51/85/84/674518584.db2.gz BRDIOOHJRWTDOP-UHFFFAOYSA-N 1 0 367.471 2.307 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917926 674519495 /nfs/dbraw/zinc/51/94/95/674519495.db2.gz OQJODTZNLCXWES-NSHDSACASA-N 1 0 355.826 2.006 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809918681 674519601 /nfs/dbraw/zinc/51/96/01/674519601.db2.gz ZIQGZCHXPPKILO-UHFFFAOYSA-N 1 0 369.853 2.397 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180477 606451377 /nfs/dbraw/zinc/45/13/77/606451377.db2.gz DANXACIKOJQQIJ-LLVKDONJSA-N 1 0 370.417 2.465 20 5 FEBDRO O=[N+]([O-])c1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1-c1nn[nH]n1 ZINC000823635225 606645222 /nfs/dbraw/zinc/64/52/22/606645222.db2.gz UHUXGUJQZCACSR-UHFFFAOYSA-N 1 0 365.397 2.245 20 5 FEBDRO C[C@H]1CCC[C@](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000820699148 606700840 /nfs/dbraw/zinc/70/08/40/606700840.db2.gz XUBWLUCDSWOQND-ZBEGNZNMSA-N 1 0 360.422 2.092 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COCc2cccs2)cc1[N+](=O)[O-] ZINC000559603071 674549258 /nfs/dbraw/zinc/54/92/58/674549258.db2.gz AZNGBJJTUJNJRB-CYBMUJFWSA-N 1 0 352.412 2.332 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ccc(F)cc2)c1 ZINC000561075215 674634566 /nfs/dbraw/zinc/63/45/66/674634566.db2.gz GTOFJAURZLYVIZ-HNNXBMFYSA-N 1 0 350.346 2.142 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](O)C(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000562871113 674818104 /nfs/dbraw/zinc/81/81/04/674818104.db2.gz CXGCRQNQEHGMCK-VIFPVBQESA-N 1 0 374.262 2.260 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1c(F)cccc1F ZINC000562895236 674820501 /nfs/dbraw/zinc/82/05/01/674820501.db2.gz XBCFPXGIEPQANG-GFCCVEGCSA-N 1 0 352.337 2.445 20 5 FEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018451 674897946 /nfs/dbraw/zinc/89/79/46/674897946.db2.gz QBSFRIFGFXYWGN-DTWKUNHWSA-N 1 0 365.814 2.148 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000563754172 674935828 /nfs/dbraw/zinc/93/58/28/674935828.db2.gz KUPMZKUFNAKIHV-CZUORRHYSA-N 1 0 355.460 2.229 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000564145649 674977915 /nfs/dbraw/zinc/97/79/15/674977915.db2.gz ALIHWGQBESGGRH-UHFFFAOYSA-N 1 0 352.416 2.167 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3F)C[C@@H]2C1 ZINC001048814490 675015620 /nfs/dbraw/zinc/01/56/20/675015620.db2.gz OECYDBXNVMMVOU-QVHKTLOISA-N 1 0 367.808 2.035 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047147814 670235022 /nfs/dbraw/zinc/23/50/22/670235022.db2.gz VUKBCAQQVGSWEV-NSHDSACASA-N 1 0 350.375 2.273 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000565303755 675110035 /nfs/dbraw/zinc/11/00/35/675110035.db2.gz QZXXGEJDQIIACT-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000565598361 675135697 /nfs/dbraw/zinc/13/56/97/675135697.db2.gz WOFVPZXFVIGGHZ-WFASDCNBSA-N 1 0 362.407 2.480 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc([N+](=O)[O-])cc1Cl)C2=O ZINC000571082432 670813970 /nfs/dbraw/zinc/81/39/70/670813970.db2.gz PDRRRNMUWMPTCK-ZBEGNZNMSA-N 1 0 366.805 2.188 20 5 FEBDRO CC[N@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000110481034 670849566 /nfs/dbraw/zinc/84/95/66/670849566.db2.gz ZBOFWCRXVIFCGU-UHFFFAOYSA-N 1 0 363.386 2.487 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000114062328 670889198 /nfs/dbraw/zinc/88/91/98/670889198.db2.gz GLBSQPAJNAYYCG-UWVGGRQHSA-N 1 0 357.794 2.316 20 5 FEBDRO CCOC(=O)C1CCC(O)(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000572511534 671011291 /nfs/dbraw/zinc/01/12/91/671011291.db2.gz DEKVJWDRBNCWEA-UHFFFAOYSA-N 1 0 350.415 2.211 20 5 FEBDRO C[C@](C[NH3+])(NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000572833774 671049951 /nfs/dbraw/zinc/04/99/51/671049951.db2.gz KXEKSYSRGPKTCD-CQSZACIVSA-N 1 0 361.320 2.393 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566172096 675189245 /nfs/dbraw/zinc/18/92/45/675189245.db2.gz AFURMIFASXOSGK-INIZCTEOSA-N 1 0 351.428 2.131 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCC[C@@H]2C[NH+](C)C)c1F ZINC000575968720 671334258 /nfs/dbraw/zinc/33/42/58/671334258.db2.gz AEKRYGYXHDSEJD-GFCCVEGCSA-N 1 0 353.394 2.228 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000576744260 671391199 /nfs/dbraw/zinc/39/11/99/671391199.db2.gz JSLDUQKJQMPHRJ-GFCCVEGCSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609387863 675921085 /nfs/dbraw/zinc/92/10/85/675921085.db2.gz LNBWRQZHGRCKDO-LLVKDONJSA-N 1 0 359.835 2.011 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609387900 675921161 /nfs/dbraw/zinc/92/11/61/675921161.db2.gz NCKUESCOJYMGJQ-GFCCVEGCSA-N 1 0 359.835 2.011 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)CC(C)(C)C ZINC000609483509 675923253 /nfs/dbraw/zinc/92/32/53/675923253.db2.gz PZKCLEGQZUNCJX-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560585 675926251 /nfs/dbraw/zinc/92/62/51/675926251.db2.gz RGEYRSIUQQFYNX-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560588 675926279 /nfs/dbraw/zinc/92/62/79/675926279.db2.gz RGEYRSIUQQFYNX-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000609539655 675925046 /nfs/dbraw/zinc/92/50/46/675925046.db2.gz CMMIMRAAVREWBU-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578411811 671663055 /nfs/dbraw/zinc/66/30/55/671663055.db2.gz OJSKURZLENRLQK-LBPRGKRZSA-N 1 0 356.220 2.475 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000578988770 671704357 /nfs/dbraw/zinc/70/43/57/671704357.db2.gz NIVOQXJYUHRXMO-INIZCTEOSA-N 1 0 361.423 2.150 20 5 FEBDRO COc1ccc(F)cc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580306353 671796501 /nfs/dbraw/zinc/79/65/01/671796501.db2.gz MHSREXDRVGWWLR-HNNXBMFYSA-N 1 0 350.346 2.272 20 5 FEBDRO CCOC(=O)c1ccnc(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609962062 675945392 /nfs/dbraw/zinc/94/53/92/675945392.db2.gz YRPNLKPNEHAYQH-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000120740815 671934355 /nfs/dbraw/zinc/93/43/55/671934355.db2.gz FQRMSJSFDQHYMX-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000121744311 671956426 /nfs/dbraw/zinc/95/64/26/671956426.db2.gz LXRJPCICBBZEAK-GFCCVEGCSA-N 1 0 355.822 2.317 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000122481441 671967214 /nfs/dbraw/zinc/96/72/14/671967214.db2.gz VWCMMVSKIYYONT-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CCC(CC)[C@@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[NH+](C)C ZINC000582971216 672051103 /nfs/dbraw/zinc/05/11/03/672051103.db2.gz UTQPMMSCGRIHFT-CQSZACIVSA-N 1 0 352.435 2.863 20 5 FEBDRO CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000610538797 675978671 /nfs/dbraw/zinc/97/86/71/675978671.db2.gz LAXYNUXAFSNCCV-ZDUSSCGKSA-N 1 0 363.439 2.495 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610576955 675982569 /nfs/dbraw/zinc/98/25/69/675982569.db2.gz LJZTVCHNSQFHOX-GFCCVEGCSA-N 1 0 361.851 2.401 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(F)cc1F ZINC000583989498 672145303 /nfs/dbraw/zinc/14/53/03/672145303.db2.gz GEJCQCZMWMEAEY-AWEZNQCLSA-N 1 0 352.337 2.445 20 5 FEBDRO COCC1(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000584049071 672150532 /nfs/dbraw/zinc/15/05/32/672150532.db2.gz XNEDRBPBDVFLNX-UHFFFAOYSA-N 1 0 356.444 2.165 20 5 FEBDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225289 672374576 /nfs/dbraw/zinc/37/45/76/672374576.db2.gz ORFKFYJALLQPGX-ZDUSSCGKSA-N 1 0 353.423 2.123 20 5 FEBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000176902078 672377905 /nfs/dbraw/zinc/37/79/05/672377905.db2.gz HKKDHQJXECAZBC-AWEZNQCLSA-N 1 0 353.394 2.129 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000177958065 672387737 /nfs/dbraw/zinc/38/77/37/672387737.db2.gz ZRYZZZARORXSQK-UHFFFAOYSA-N 1 0 361.851 2.321 20 5 FEBDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000589162688 672510842 /nfs/dbraw/zinc/51/08/42/672510842.db2.gz SVCJMJWYVHTFIE-ICCXJUOJSA-N 1 0 363.336 2.459 20 5 FEBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](O)C(F)(F)F ZINC000589162163 672510915 /nfs/dbraw/zinc/51/09/15/672510915.db2.gz JYRVBSJFNVJONC-JSGCOSHPSA-N 1 0 364.320 2.499 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589307893 672521097 /nfs/dbraw/zinc/52/10/97/672521097.db2.gz OVPGIXCZEOFAOB-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411597 676036133 /nfs/dbraw/zinc/03/61/33/676036133.db2.gz NHPRIWATTLJPON-UHFFFAOYSA-N 1 0 366.487 2.475 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562498 672589767 /nfs/dbraw/zinc/58/97/67/672589767.db2.gz LYRXXSPLDLMLFG-HUUCEWRRSA-N 1 0 353.806 2.183 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590566412 672590440 /nfs/dbraw/zinc/59/04/40/672590440.db2.gz HLBUBQNXUYTNNB-YGRLFVJLSA-N 1 0 370.247 2.451 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)CCCCC1 ZINC000591018887 672641620 /nfs/dbraw/zinc/64/16/20/672641620.db2.gz GNEACYVGZLQFNN-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CC(C(F)(F)F)C2)cc1 ZINC000591767449 672709318 /nfs/dbraw/zinc/70/93/18/672709318.db2.gz PSDCUWRJHOHHCU-UHFFFAOYSA-N 1 0 352.334 2.299 20 5 FEBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592369300 672792721 /nfs/dbraw/zinc/79/27/21/672792721.db2.gz LSVNFGRTIQJUQF-JTQLQIEISA-N 1 0 369.365 2.265 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000592372058 672793597 /nfs/dbraw/zinc/79/35/97/672793597.db2.gz AEUZOKONMPEIJH-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO CC1([NH3+])CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000592378757 672794467 /nfs/dbraw/zinc/79/44/67/672794467.db2.gz BNCKEVZWIJGNMM-UHFFFAOYSA-N 1 0 367.349 2.116 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592390110 672796730 /nfs/dbraw/zinc/79/67/30/672796730.db2.gz AWHRAUCNBFQFQH-RYUDHWBXSA-N 1 0 359.473 2.057 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000249690163 672873678 /nfs/dbraw/zinc/87/36/78/672873678.db2.gz QHQVBARMSKTBLP-VXGBXAGGSA-N 1 0 359.423 2.133 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000593913903 673007778 /nfs/dbraw/zinc/00/77/78/673007778.db2.gz YLRFFBJZIKANMH-DJSGYFEHSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000593918832 673008283 /nfs/dbraw/zinc/00/82/83/673008283.db2.gz KIVSLXOIUMSABC-KBMXLJTQSA-N 1 0 351.378 2.235 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027232 673022160 /nfs/dbraw/zinc/02/21/60/673022160.db2.gz SSUYFQGKWYNEJL-ZBFHGGJFSA-N 1 0 350.415 2.368 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594789769 673142941 /nfs/dbraw/zinc/14/29/41/673142941.db2.gz KPXVFCPJENBWQO-GFCCVEGCSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594792391 673144642 /nfs/dbraw/zinc/14/46/42/673144642.db2.gz QFKBLOJRWIQPHY-OAHLLOKOSA-N 1 0 369.487 2.177 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594794234 673145753 /nfs/dbraw/zinc/14/57/53/673145753.db2.gz ZPNRLOLWSJJBRJ-GFCCVEGCSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000594800853 673147527 /nfs/dbraw/zinc/14/75/27/673147527.db2.gz IJTKMFKFEHULRV-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594800899 673147939 /nfs/dbraw/zinc/14/79/39/673147939.db2.gz JLQAYDGHEVKWOQ-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595112910 673195139 /nfs/dbraw/zinc/19/51/39/673195139.db2.gz FULAYSOJEIWALW-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)s1 ZINC000595119517 673196985 /nfs/dbraw/zinc/19/69/85/673196985.db2.gz DFOUGBUVVXOGCX-CHWSQXEVSA-N 1 0 367.452 2.080 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595121311 673197413 /nfs/dbraw/zinc/19/74/13/673197413.db2.gz VVLSKWMZXHUXHI-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595345890 673228759 /nfs/dbraw/zinc/22/87/59/673228759.db2.gz QNUQIUPZQYIAAN-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000595407674 673244610 /nfs/dbraw/zinc/24/46/10/673244610.db2.gz FJAKSEBBJDIIGF-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000595406323 673244737 /nfs/dbraw/zinc/24/47/37/673244737.db2.gz BWMNVUFHPPZNCQ-YOEHRIQHSA-N 1 0 350.438 2.192 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595409196 673245470 /nfs/dbraw/zinc/24/54/70/673245470.db2.gz BDRRZRMGHBPMMC-ZDUSSCGKSA-N 1 0 371.434 2.134 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595412193 673245896 /nfs/dbraw/zinc/24/58/96/673245896.db2.gz VWTPZAOZURVICH-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595413130 673246380 /nfs/dbraw/zinc/24/63/80/673246380.db2.gz XQFGJGLLZVIULO-UHFFFAOYSA-N 1 0 367.471 2.136 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000596145992 673363075 /nfs/dbraw/zinc/36/30/75/673363075.db2.gz JLPIZVJGQWXTKR-OLZOCXBDSA-N 1 0 370.475 2.178 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000596165642 673364524 /nfs/dbraw/zinc/36/45/24/673364524.db2.gz MCVUUMYNLPEPDX-UKRRQHHQSA-N 1 0 354.838 2.245 20 5 FEBDRO Nc1ccc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596210932 673368420 /nfs/dbraw/zinc/36/84/20/673368420.db2.gz RXKBEMSLYLVYES-AWEZNQCLSA-N 1 0 359.455 2.602 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC(F)F ZINC000596539692 673392577 /nfs/dbraw/zinc/39/25/77/673392577.db2.gz PVVYASQETMQXTG-ZDUSSCGKSA-N 1 0 357.357 2.232 20 5 FEBDRO COc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596540961 673392831 /nfs/dbraw/zinc/39/28/31/673392831.db2.gz XIIAHLSDRLLWRN-GFCCVEGCSA-N 1 0 355.822 2.292 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000733160768 673401109 /nfs/dbraw/zinc/40/11/09/673401109.db2.gz SNVIMDFHTLUXPD-CQSZACIVSA-N 1 0 351.378 2.107 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC000596787706 673412803 /nfs/dbraw/zinc/41/28/03/673412803.db2.gz KBAVWSFGTRGZOC-CHWSQXEVSA-N 1 0 350.419 2.442 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC000596787708 673412832 /nfs/dbraw/zinc/41/28/32/673412832.db2.gz KBAVWSFGTRGZOC-QWHCGFSZSA-N 1 0 350.419 2.442 20 5 FEBDRO CC[NH+](CC)CCOCCNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597100919 673448130 /nfs/dbraw/zinc/44/81/30/673448130.db2.gz MMQFAXRJKQWKBL-UHFFFAOYSA-N 1 0 373.841 2.310 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000597697210 673500363 /nfs/dbraw/zinc/50/03/63/673500363.db2.gz DSAZLXBDXSNOSH-SWLSCSKDSA-N 1 0 367.471 2.498 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](N2CCOCC2)C1 ZINC000597710561 673501493 /nfs/dbraw/zinc/50/14/93/673501493.db2.gz VNKLETBYOOSYRQ-OAHLLOKOSA-N 1 0 367.833 2.114 20 5 FEBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343372 673561513 /nfs/dbraw/zinc/56/15/13/673561513.db2.gz WHVXTYWIZZZHLX-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598600597 673588380 /nfs/dbraw/zinc/58/83/80/673588380.db2.gz VDDVPRIPIZFCIP-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c(C)c1[N+](=O)[O-] ZINC000598607814 673589481 /nfs/dbraw/zinc/58/94/81/673589481.db2.gz PNJASSPHAYIMRU-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668570 673596417 /nfs/dbraw/zinc/59/64/17/673596417.db2.gz ACZVYJDXVOTNAC-IAQYHMDHSA-N 1 0 368.231 2.240 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000543208298 673632618 /nfs/dbraw/zinc/63/26/18/673632618.db2.gz SJBJYCRBKXHCEI-GDBMZVCRSA-N 1 0 369.487 2.173 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000599107192 673633790 /nfs/dbraw/zinc/63/37/90/673633790.db2.gz KEXRLNLSMLBEDM-VHSXEESVSA-N 1 0 367.349 2.032 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599542822 673689774 /nfs/dbraw/zinc/68/97/74/673689774.db2.gz DOKTTXGSFHBNIB-HNNXBMFYSA-N 1 0 350.415 2.227 20 5 FEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000544122004 673691950 /nfs/dbraw/zinc/69/19/50/673691950.db2.gz PQSMFWKPZJGPCT-MRXNPFEDSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CCCF)CC1 ZINC000599671199 673704577 /nfs/dbraw/zinc/70/45/77/673704577.db2.gz OJDUHFZESFDFGO-UHFFFAOYSA-N 1 0 352.410 2.209 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000599673157 673705000 /nfs/dbraw/zinc/70/50/00/673705000.db2.gz LQIIWJQRUIYEPF-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Br ZINC000742169546 673709199 /nfs/dbraw/zinc/70/91/99/673709199.db2.gz SLJYWSPWSGTDOZ-LBPRGKRZSA-N 1 0 372.267 2.319 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000599810084 673719767 /nfs/dbraw/zinc/71/97/67/673719767.db2.gz XYVYIBOVHMUYLE-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000600213989 673749612 /nfs/dbraw/zinc/74/96/12/673749612.db2.gz SKUUIMCLIMSXCK-HNNXBMFYSA-N 1 0 369.487 2.479 20 5 FEBDRO CS[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000545332386 673760341 /nfs/dbraw/zinc/76/03/41/673760341.db2.gz IJWZGMBCDRYLLB-CVEARBPZSA-N 1 0 365.455 2.012 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000600469850 673772096 /nfs/dbraw/zinc/77/20/96/673772096.db2.gz LKKMKQYRKWSCCD-LBPRGKRZSA-N 1 0 351.378 2.489 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1 ZINC000743843966 673773773 /nfs/dbraw/zinc/77/37/73/673773773.db2.gz HTPUBDJBAVIDNW-UHFFFAOYSA-N 1 0 352.387 2.067 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000600957627 673813633 /nfs/dbraw/zinc/81/36/33/673813633.db2.gz QUUYJLISNWYUER-LBPRGKRZSA-N 1 0 363.443 2.194 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601108367 673826499 /nfs/dbraw/zinc/82/64/99/673826499.db2.gz FLHLFEHLAVGNPV-KBPBESRZSA-N 1 0 351.426 2.124 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601356441 673847344 /nfs/dbraw/zinc/84/73/44/673847344.db2.gz QMIOXXXLXNCXPW-KYOSRNDESA-N 1 0 351.378 2.058 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601358566 673847948 /nfs/dbraw/zinc/84/79/48/673847948.db2.gz LRXKKBLFUNBWHY-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601503563 673872201 /nfs/dbraw/zinc/87/22/01/673872201.db2.gz JWANFJFJNADZEZ-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000602169834 673902879 /nfs/dbraw/zinc/90/28/79/673902879.db2.gz HWLHFIUBCGGXNG-CABCVRRESA-N 1 0 351.403 2.071 20 5 FEBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000602535396 673907462 /nfs/dbraw/zinc/90/74/62/673907462.db2.gz YMWLUONGMHQROQ-GFCCVEGCSA-N 1 0 354.204 2.372 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000602519724 673907473 /nfs/dbraw/zinc/90/74/73/673907473.db2.gz IVUKQZHMGBNDKA-JMSVASOKSA-N 1 0 351.378 2.092 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541483 673907746 /nfs/dbraw/zinc/90/77/46/673907746.db2.gz PKJAUZOUZCCBJS-CHWSQXEVSA-N 1 0 359.348 2.431 20 5 FEBDRO C[C@H]1CN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602546527 673908027 /nfs/dbraw/zinc/90/80/27/673908027.db2.gz VGNZABHANIPFCB-VIFPVBQESA-N 1 0 364.265 2.229 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602888686 673912891 /nfs/dbraw/zinc/91/28/91/673912891.db2.gz ARFHIYJXJISLRU-IRXDYDNUSA-N 1 0 350.415 2.273 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000566646370 675231331 /nfs/dbraw/zinc/23/13/31/675231331.db2.gz JCINLOONLPTBLO-AJHXJQRKSA-N 1 0 367.471 2.211 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000615293336 676211027 /nfs/dbraw/zinc/21/10/27/676211027.db2.gz KTJRSHNKYQKQHZ-CHWSQXEVSA-N 1 0 361.851 2.318 20 5 FEBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000819096574 675259980 /nfs/dbraw/zinc/25/99/80/675259980.db2.gz QREFBVQKYOICNI-CYBMUJFWSA-N 1 0 351.403 2.302 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)c1 ZINC000819176700 675266724 /nfs/dbraw/zinc/26/67/24/675266724.db2.gz MJXVYNDKTKCGOR-CYBMUJFWSA-N 1 0 373.182 2.016 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225032 675271419 /nfs/dbraw/zinc/27/14/19/675271419.db2.gz SIHIOTIFNWCZNO-FOSCPCJNSA-N 1 0 351.403 2.299 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000819332510 675282046 /nfs/dbraw/zinc/28/20/46/675282046.db2.gz DHHAPFGNGIFVDS-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO Cc1cnc([C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000567709834 675315199 /nfs/dbraw/zinc/31/51/99/675315199.db2.gz AMTAXRFCIATWHV-RISCZKNCSA-N 1 0 351.428 2.493 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782961 675322030 /nfs/dbraw/zinc/32/20/30/675322030.db2.gz HQUYMEPXTAGXOE-DGCLKSJQSA-N 1 0 353.444 2.061 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000822128950 675470364 /nfs/dbraw/zinc/47/03/64/675470364.db2.gz WKAQWBRZDOVPKW-UHFFFAOYSA-N 1 0 368.821 2.373 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000822231327 675473715 /nfs/dbraw/zinc/47/37/15/675473715.db2.gz LPRARHXRMBCBLY-UHFFFAOYSA-N 1 0 354.794 2.031 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823025182 675524064 /nfs/dbraw/zinc/52/40/64/675524064.db2.gz MTNWEJNEGAYCKO-JTQLQIEISA-N 1 0 354.382 2.152 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CCN1 ZINC000825148288 675638884 /nfs/dbraw/zinc/63/88/84/675638884.db2.gz SIJNZGVNYOZHIS-AWEZNQCLSA-N 1 0 366.849 2.035 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000825480875 675655379 /nfs/dbraw/zinc/65/53/79/675655379.db2.gz AGADFVSELGCZKP-NEPJUHHUSA-N 1 0 350.394 2.157 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825708339 675665028 /nfs/dbraw/zinc/66/50/28/675665028.db2.gz FUBLMTJDHBKOTJ-LBPRGKRZSA-N 1 0 355.822 2.397 20 5 FEBDRO [NH3+][C@@H](CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000825978849 675676254 /nfs/dbraw/zinc/67/62/54/675676254.db2.gz BMRRCSPMPFGIPN-NSHDSACASA-N 1 0 360.336 2.269 20 5 FEBDRO Nc1c(C(=O)N2CCC([NH+]3CCC3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000826936829 675716858 /nfs/dbraw/zinc/71/68/58/675716858.db2.gz UNVBMJCIFMCDBG-UHFFFAOYSA-N 1 0 356.785 2.280 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000827580620 675766268 /nfs/dbraw/zinc/76/62/68/675766268.db2.gz UYGUYBBTRKZDSF-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1C ZINC000827660827 675771166 /nfs/dbraw/zinc/77/11/66/675771166.db2.gz BCRGUAQRJOEZOJ-CHWSQXEVSA-N 1 0 355.460 2.307 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@]2(CCSC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829261533 675872586 /nfs/dbraw/zinc/87/25/86/675872586.db2.gz MEDJMBSSDGMPDT-MRXNPFEDSA-N 1 0 369.418 2.270 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000829292376 675874520 /nfs/dbraw/zinc/87/45/20/675874520.db2.gz JHZZUIJOJUYAFP-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000829573135 675883772 /nfs/dbraw/zinc/88/37/72/675883772.db2.gz LFLBONUTZCMSNH-UHFFFAOYSA-N 1 0 351.451 2.320 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000619479250 676379571 /nfs/dbraw/zinc/37/95/71/676379571.db2.gz LIMCITWNJYGHIZ-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1Br ZINC000760811680 680701822 /nfs/dbraw/zinc/70/18/22/680701822.db2.gz BHMUYTDBJIVWQT-UHFFFAOYSA-N 1 0 365.187 2.016 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000761546243 680726576 /nfs/dbraw/zinc/72/65/76/680726576.db2.gz DESGUYOLJWLOOV-ZDUSSCGKSA-N 1 0 352.460 2.382 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839498442 680757044 /nfs/dbraw/zinc/75/70/44/680757044.db2.gz PGOIAKQQOMEKRS-CYBMUJFWSA-N 1 0 372.263 2.246 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839571258 680762784 /nfs/dbraw/zinc/76/27/84/680762784.db2.gz MUGQAMMZDLZSPR-LLVKDONJSA-N 1 0 368.821 2.128 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839592260 680764458 /nfs/dbraw/zinc/76/44/58/680764458.db2.gz PYZJKMCRZCTBRQ-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO COc1cc(OCC(=O)OCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000747758368 679901577 /nfs/dbraw/zinc/90/15/77/679901577.db2.gz GGTAPMBQGSFDRA-UHFFFAOYSA-N 1 0 352.387 2.401 20 5 FEBDRO CS[C@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@H]1[NH+](C)C ZINC000831299751 679963003 /nfs/dbraw/zinc/96/30/03/679963003.db2.gz MIDAKYKNJDVEDE-MNOVXSKESA-N 1 0 359.398 2.299 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000751390608 680171008 /nfs/dbraw/zinc/17/10/08/680171008.db2.gz JPFGNYHRIUJZHK-ZDUSSCGKSA-N 1 0 350.375 2.416 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCc1ccsc1)C2 ZINC000981765289 680250661 /nfs/dbraw/zinc/25/06/61/680250661.db2.gz YJJZUVOZFAGKLH-HZPDHXFCSA-N 1 0 363.483 2.270 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000997772630 680365861 /nfs/dbraw/zinc/36/58/61/680365861.db2.gz POEXPGRSVSLSMP-CZUORRHYSA-N 1 0 369.824 2.473 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912321889 685352583 /nfs/dbraw/zinc/35/25/83/685352583.db2.gz LWKTVVQYGCJKJL-UHFFFAOYSA-N 1 0 366.805 2.127 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CC=C(Cl)Cl)C2)CC1 ZINC001035186901 680443448 /nfs/dbraw/zinc/44/34/48/680443448.db2.gz KOKWEFNCPDNLDG-VXGBXAGGSA-N 1 0 362.257 2.285 20 5 FEBDRO C[N@H+](Cc1cc(O)ccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430235 680447155 /nfs/dbraw/zinc/44/71/55/680447155.db2.gz ASKYMJWSCYUVQI-GDBMZVCRSA-N 1 0 367.833 2.134 20 5 FEBDRO C[N@H+](CCc1ccccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433983 680447784 /nfs/dbraw/zinc/44/77/84/680447784.db2.gz OYYICMJFXUHLMZ-NVXWUHKLSA-N 1 0 365.861 2.471 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C[NH+](CCCc3ccsc3)C2)CC1 ZINC001035704233 680450965 /nfs/dbraw/zinc/45/09/65/680450965.db2.gz HAPWJSMSXDHWSW-HZPDHXFCSA-N 1 0 363.483 2.270 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836373835 680459913 /nfs/dbraw/zinc/45/99/13/680459913.db2.gz GTQNMZPRZUSLOF-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC=C(Cl)Cl)CC2 ZINC001040699201 680483545 /nfs/dbraw/zinc/48/35/45/680483545.db2.gz AEYAQTGYAQIZFM-VXGBXAGGSA-N 1 0 362.257 2.285 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767462277 680912737 /nfs/dbraw/zinc/91/27/37/680912737.db2.gz PNYPLSPXAXKOEL-INIZCTEOSA-N 1 0 366.849 2.162 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000843345351 680999189 /nfs/dbraw/zinc/99/91/89/680999189.db2.gz BXRUNKVNFRCCFT-ZDUSSCGKSA-N 1 0 350.375 2.449 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000932353183 681232955 /nfs/dbraw/zinc/23/29/55/681232955.db2.gz XIXHGNDFWRFFIX-UHFFFAOYSA-N 1 0 371.235 2.107 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000932679451 681285401 /nfs/dbraw/zinc/28/54/01/681285401.db2.gz YFTVELHMUBHYTA-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928616 681330069 /nfs/dbraw/zinc/33/00/69/681330069.db2.gz PRSCDATVXWBKLG-GDBMZVCRSA-N 1 0 350.444 2.311 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000775820936 681339451 /nfs/dbraw/zinc/33/94/51/681339451.db2.gz XXZAOGGPNPDUGH-KBPBESRZSA-N 1 0 351.403 2.430 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000933173699 681371665 /nfs/dbraw/zinc/37/16/65/681371665.db2.gz OVEVUTNRQUJJCU-CHWSQXEVSA-N 1 0 352.387 2.256 20 5 FEBDRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000933391276 681403421 /nfs/dbraw/zinc/40/34/21/681403421.db2.gz CLUOOPXJGAATDX-MGPLVRAMSA-N 1 0 351.790 2.488 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000776591550 681412658 /nfs/dbraw/zinc/41/26/58/681412658.db2.gz JSHCUWZMYXCTAB-QZTJIDSGSA-N 1 0 350.415 2.288 20 5 FEBDRO C[C@@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(F)F ZINC000934037704 681499428 /nfs/dbraw/zinc/49/94/28/681499428.db2.gz OUDWEKNRIZIRSR-SNVBAGLBSA-N 1 0 357.361 2.122 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCC(F)(F)F)c2)CC1 ZINC000934042458 681500116 /nfs/dbraw/zinc/50/01/16/681500116.db2.gz YUWDXJDZPBUKPA-UHFFFAOYSA-N 1 0 361.324 2.030 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914325498 685503992 /nfs/dbraw/zinc/50/39/92/685503992.db2.gz LSRBVQFOKJJBTN-CVEARBPZSA-N 1 0 364.471 2.016 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CCOCC2)ccc1Br ZINC000782388144 682036859 /nfs/dbraw/zinc/03/68/59/682036859.db2.gz XKEMHOGQYVWEKN-ZDUSSCGKSA-N 1 0 359.220 2.234 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000783325010 682135112 /nfs/dbraw/zinc/13/51/12/682135112.db2.gz YSPHVGSWMRICJP-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000787535649 682462922 /nfs/dbraw/zinc/46/29/22/682462922.db2.gz HPYCDAADWRXDKW-UHFFFAOYSA-N 1 0 352.391 2.236 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855345342 682659706 /nfs/dbraw/zinc/65/97/06/682659706.db2.gz QTYBZQJYICGYMB-LBPRGKRZSA-N 1 0 354.426 2.044 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857085156 682852897 /nfs/dbraw/zinc/85/28/97/682852897.db2.gz ABUVVGYNBAIVGQ-GLKRBJQHSA-N 1 0 352.822 2.388 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000926151467 683083500 /nfs/dbraw/zinc/08/35/00/683083500.db2.gz WFMBOFVLZDYAFC-RHSMWYFYSA-N 1 0 368.455 2.163 20 5 FEBDRO Cc1c(C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000926270483 683101503 /nfs/dbraw/zinc/10/15/03/683101503.db2.gz PZMVAOIOSPNWAZ-ZDUSSCGKSA-N 1 0 355.460 2.053 20 5 FEBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339749 683391086 /nfs/dbraw/zinc/39/10/86/683391086.db2.gz BYMCWVNKKMKPIP-CZUORRHYSA-N 1 0 354.428 2.339 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455801 683455376 /nfs/dbraw/zinc/45/53/76/683455376.db2.gz UKMFVGGJMKPOCH-PSASIEDQSA-N 1 0 359.329 2.027 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861909870 683498394 /nfs/dbraw/zinc/49/83/94/683498394.db2.gz RXRSTDSSGJQJCP-NYMYIZQJSA-N 1 0 353.806 2.034 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000863225605 683689098 /nfs/dbraw/zinc/68/90/98/683689098.db2.gz VELKDYHWPUAXNG-UHFFFAOYSA-N 1 0 364.471 2.478 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930716679 683775642 /nfs/dbraw/zinc/77/56/42/683775642.db2.gz PNDMYLBLKYFGSL-LSDHHAIUSA-N 1 0 357.451 2.047 20 5 FEBDRO COc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000930768802 683781849 /nfs/dbraw/zinc/78/18/49/683781849.db2.gz JYZPQANCYJFJIX-OCCSQVGLSA-N 1 0 366.443 2.305 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCCCO2)cc1[N+](=O)[O-] ZINC000922819018 683787729 /nfs/dbraw/zinc/78/77/29/683787729.db2.gz IGWDYWWIMDBDMZ-KRWDZBQOSA-N 1 0 352.387 2.195 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930863184 683794322 /nfs/dbraw/zinc/79/43/22/683794322.db2.gz GVWALXUGOVFFIE-RBSFLKMASA-N 1 0 357.451 2.190 20 5 FEBDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]2O1 ZINC000922874738 683795865 /nfs/dbraw/zinc/79/58/65/683795865.db2.gz AYKHOEIKQBZGHZ-XGHVKYEFSA-N 1 0 350.371 2.138 20 5 FEBDRO CC(C)(Cn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1)[N+](=O)[O-] ZINC000864641999 683876232 /nfs/dbraw/zinc/87/62/32/683876232.db2.gz GFLVCUAZSBHOPH-LBPRGKRZSA-N 1 0 354.208 2.144 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000865996672 684058322 /nfs/dbraw/zinc/05/83/22/684058322.db2.gz QRFTXUFLJLECHD-UHFFFAOYSA-N 1 0 365.459 2.394 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000866033843 684064321 /nfs/dbraw/zinc/06/43/21/684064321.db2.gz ZSNRUFZPJSSSHM-UHFFFAOYSA-N 1 0 350.419 2.417 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000866819182 684160201 /nfs/dbraw/zinc/16/02/01/684160201.db2.gz DAEXJDSUTPCGAL-WCQYABFASA-N 1 0 373.862 2.319 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309186 684244270 /nfs/dbraw/zinc/24/42/70/684244270.db2.gz RDRIZMKOVBQKIE-KCJUWKMLSA-N 1 0 365.814 2.100 20 5 FEBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000931251664 684249169 /nfs/dbraw/zinc/24/91/69/684249169.db2.gz WEQOZEYJMQDBNW-JTQLQIEISA-N 1 0 357.208 2.491 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC000923737147 684343261 /nfs/dbraw/zinc/34/32/61/684343261.db2.gz XCODEEXBVZPDOB-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1ccc(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000867785832 684385410 /nfs/dbraw/zinc/38/54/10/684385410.db2.gz XUIYMURFSDZSEA-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762121 684583276 /nfs/dbraw/zinc/58/32/76/684583276.db2.gz HPFMFHDDROEHLU-TVYUQYBPSA-N 1 0 358.236 2.199 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCN(C(C)=O)CC1 ZINC000872021319 684916001 /nfs/dbraw/zinc/91/60/01/684916001.db2.gz BJLIOLISNGRRCT-CYBMUJFWSA-N 1 0 366.487 2.131 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000872028962 684916229 /nfs/dbraw/zinc/91/62/29/684916229.db2.gz ODTIISUIEQLAIS-VXGBXAGGSA-N 1 0 373.500 2.391 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873010552 685048368 /nfs/dbraw/zinc/04/83/68/685048368.db2.gz LLIMZXDLGSRHDD-UHFFFAOYSA-N 1 0 355.460 2.115 20 5 FEBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877389538 686371272 /nfs/dbraw/zinc/37/12/72/686371272.db2.gz NCVWFJNSVPFBMT-TZMCWYRMSA-N 1 0 354.204 2.372 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877396381 686371728 /nfs/dbraw/zinc/37/17/28/686371728.db2.gz WGNCNUSEDOPTHN-NVXWUHKLSA-N 1 0 365.455 2.237 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000877514310 686396935 /nfs/dbraw/zinc/39/69/35/686396935.db2.gz JEISYLARYRXEFH-HNNXBMFYSA-N 1 0 369.487 2.315 20 5 FEBDRO CS[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH+](C)C ZINC000878320060 686563956 /nfs/dbraw/zinc/56/39/56/686563956.db2.gz ICBJTBBBVJGJEY-ZIAGYGMSSA-N 1 0 363.443 2.122 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)n1 ZINC000878524037 686601441 /nfs/dbraw/zinc/60/14/41/686601441.db2.gz MGAPKGYHSYJIBQ-OAHLLOKOSA-N 1 0 350.419 2.014 20 5 FEBDRO C[C@](CO)([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000879272984 686784781 /nfs/dbraw/zinc/78/47/81/686784781.db2.gz FWQHPHJDSFJOEI-NVXWUHKLSA-N 1 0 352.337 2.404 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879575950 686861452 /nfs/dbraw/zinc/86/14/52/686861452.db2.gz PCTPZLBCJBIURA-SMDDNHRTSA-N 1 0 352.822 2.213 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884953477 687973566 /nfs/dbraw/zinc/97/35/66/687973566.db2.gz ZJNODITXSJTOOC-RYUDHWBXSA-N 1 0 373.862 2.462 20 5 FEBDRO COC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000886908576 688338963 /nfs/dbraw/zinc/33/89/63/688338963.db2.gz VNMWDYYVVLTHRE-HIFRSBDPSA-N 1 0 354.403 2.013 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000888283670 688577244 /nfs/dbraw/zinc/57/72/44/688577244.db2.gz XBCIDGBZOSAYHZ-RYUDHWBXSA-N 1 0 370.837 2.475 20 5 FEBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@H+](C)CCN1C ZINC000895245009 689683214 /nfs/dbraw/zinc/68/32/14/689683214.db2.gz CEOGJAFPJWHCFT-HZMBPMFUSA-N 1 0 357.252 2.404 20 5 FEBDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000895669064 689752408 /nfs/dbraw/zinc/75/24/08/689752408.db2.gz YNGKTEWJNKWQHH-GFCCVEGCSA-N 1 0 359.373 2.431 20 5 FEBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000895797659 689773009 /nfs/dbraw/zinc/77/30/09/689773009.db2.gz NNJSHMJACCAGEY-VRKREXBASA-N 1 0 352.456 2.329 20 5 FEBDRO CC(C)Oc1nc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896523940 689885254 /nfs/dbraw/zinc/88/52/54/689885254.db2.gz CAVKBQUUTIZXLF-CQSZACIVSA-N 1 0 350.419 2.442 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000900693639 690549173 /nfs/dbraw/zinc/54/91/73/690549173.db2.gz YZXSKCGJSVEOLQ-NSHDSACASA-N 1 0 372.828 2.001 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901058706 690606526 /nfs/dbraw/zinc/60/65/26/690606526.db2.gz XJPIYYQAUZGUOS-LBPRGKRZSA-N 1 0 371.796 2.370 20 5 FEBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000902541572 690776582 /nfs/dbraw/zinc/77/65/82/690776582.db2.gz HAEAVVFLWBEKDI-LLVKDONJSA-N 1 0 360.256 2.173 20 5 FEBDRO CC(C)O[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000903357999 690884933 /nfs/dbraw/zinc/88/49/33/690884933.db2.gz QYNXEFRISQVZSL-INMHGKMJSA-N 1 0 352.435 2.449 20 5 FEBDRO CC[C@](O)(C[NH2+]CCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC000905892731 691189112 /nfs/dbraw/zinc/18/91/12/691189112.db2.gz RWHDYGVXURSTER-AWEZNQCLSA-N 1 0 366.336 2.448 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000906458559 691271722 /nfs/dbraw/zinc/27/17/22/691271722.db2.gz GQYUSJLTQICUNX-LSDHHAIUSA-N 1 0 367.833 2.160 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[NH+]1CCSCC1 ZINC000906661071 691298997 /nfs/dbraw/zinc/29/89/97/691298997.db2.gz VGKIMDHYOMRAJQ-UHFFFAOYSA-N 1 0 357.863 2.346 20 5 FEBDRO CC[N@H+](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(C)C ZINC000906682917 691301432 /nfs/dbraw/zinc/30/14/32/691301432.db2.gz WGVOMGUROGUBGJ-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000907074247 691387552 /nfs/dbraw/zinc/38/75/52/691387552.db2.gz OPJHUYQMCIJIHS-CQSZACIVSA-N 1 0 369.849 2.096 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@H+]1CCCO ZINC000908524718 691693331 /nfs/dbraw/zinc/69/33/31/691693331.db2.gz BORAMTVKDHTREK-HNNXBMFYSA-N 1 0 369.849 2.144 20 5 FEBDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164869242 721049314 /nfs/dbraw/zinc/04/93/14/721049314.db2.gz SRCUHQUYAKTOGJ-IRXDYDNUSA-N 1 0 369.425 2.173 20 5 FEBDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164869397 721049356 /nfs/dbraw/zinc/04/93/56/721049356.db2.gz SRCUHQUYAKTOGJ-SJORKVTESA-N 1 0 369.425 2.173 20 5 FEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911992 721529345 /nfs/dbraw/zinc/52/93/45/721529345.db2.gz XYRUOKZXGBTCGO-HOCLYGCPSA-N 1 0 373.388 2.174 20 5 FEBDRO CNc1nccc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000519831087 819080313 /nfs/dbraw/zinc/08/03/13/819080313.db2.gz BMXQLLSZYCMNJA-UHFFFAOYSA-N 1 0 361.402 2.219 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800542028 674061031 /nfs/dbraw/zinc/06/10/31/674061031.db2.gz YTUZSRYSFLKDMH-WCQYABFASA-N 1 0 361.851 2.056 20 5 FEBDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000024643483 539736004 /nfs/dbraw/zinc/73/60/04/539736004.db2.gz XALPYSCXCXCOMN-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198121 539780321 /nfs/dbraw/zinc/78/03/21/539780321.db2.gz FABFULOAQBMFGP-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000027971011 539822171 /nfs/dbraw/zinc/82/21/71/539822171.db2.gz OLSGBILFVNLTJM-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[NH+]1CCC(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000029608298 539858143 /nfs/dbraw/zinc/85/81/43/539858143.db2.gz AQBPIBXPBJPPAV-UHFFFAOYSA-N 1 0 373.356 2.419 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC000031337874 539905740 /nfs/dbraw/zinc/90/57/40/539905740.db2.gz WQEKSVBARBQEIC-UHFFFAOYSA-N 1 0 355.394 2.148 20 5 FEBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000031663618 539914953 /nfs/dbraw/zinc/91/49/53/539914953.db2.gz IBSPBWYMDRIFPI-GOSISDBHSA-N 1 0 370.409 2.136 20 5 FEBDRO CCOc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268422 539932308 /nfs/dbraw/zinc/93/23/08/539932308.db2.gz PJWSNPKABMOMIC-HNNXBMFYSA-N 1 0 365.430 2.080 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044572242 540130957 /nfs/dbraw/zinc/13/09/57/540130957.db2.gz QCBUZOVJXKLLOA-MRXNPFEDSA-N 1 0 360.458 2.412 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044572245 540131125 /nfs/dbraw/zinc/13/11/25/540131125.db2.gz QCBUZOVJXKLLOA-INIZCTEOSA-N 1 0 360.458 2.412 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000044960707 540146180 /nfs/dbraw/zinc/14/61/80/540146180.db2.gz CJRHQNPQQODEIR-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000045465113 540214585 /nfs/dbraw/zinc/21/45/85/540214585.db2.gz DUJCZOOEGKRUMU-ZDUSSCGKSA-N 1 0 354.410 2.475 20 5 FEBDRO Nc1c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000048321555 540357154 /nfs/dbraw/zinc/35/71/54/540357154.db2.gz BGTFOWIMCANWBO-UHFFFAOYSA-N 1 0 372.400 2.494 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052357540 540463807 /nfs/dbraw/zinc/46/38/07/540463807.db2.gz AJVBJWZWCVDRJQ-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000053187720 540516262 /nfs/dbraw/zinc/51/62/62/540516262.db2.gz UWORACMZYWXLAQ-OAHLLOKOSA-N 1 0 371.441 2.482 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053699296 540549888 /nfs/dbraw/zinc/54/98/88/540549888.db2.gz HFIMPOFGPUNHSM-ZDUSSCGKSA-N 1 0 355.460 2.384 20 5 FEBDRO Cc1noc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676256 540601779 /nfs/dbraw/zinc/60/17/79/540601779.db2.gz XXJBJYZCUCXBLH-ZDUSSCGKSA-N 1 0 359.386 2.494 20 5 FEBDRO CCNC(=O)C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000061015640 541124829 /nfs/dbraw/zinc/12/48/29/541124829.db2.gz VKXPDFNJARGFOS-UHFFFAOYSA-N 1 0 373.409 2.408 20 5 FEBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000065945404 541273916 /nfs/dbraw/zinc/27/39/16/541273916.db2.gz ALUXFRXHFPVFPT-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066483800 541325485 /nfs/dbraw/zinc/32/54/85/541325485.db2.gz ANRVSUBKIVAOQN-FCEWJHQRSA-N 1 0 365.474 2.275 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000067139909 541423132 /nfs/dbraw/zinc/42/31/32/541423132.db2.gz PSPOKRSOPQCMLW-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO CCOc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000071016618 541758550 /nfs/dbraw/zinc/75/85/50/541758550.db2.gz RUAPGEYYMPVFAS-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000072798239 541866985 /nfs/dbraw/zinc/86/69/85/541866985.db2.gz DHQQXIVUJBIAKI-MRXNPFEDSA-N 1 0 374.441 2.181 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000074772698 542120466 /nfs/dbraw/zinc/12/04/66/542120466.db2.gz PHQROJPXJVTRFQ-CQSZACIVSA-N 1 0 367.471 2.166 20 5 FEBDRO C[N@H+](CCc1cccc2ccccc21)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075679982 542197609 /nfs/dbraw/zinc/19/76/09/542197609.db2.gz JVOBSXRUVSPBNQ-SFHVURJKSA-N 1 0 354.410 2.480 20 5 FEBDRO Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000076329576 542261233 /nfs/dbraw/zinc/26/12/33/542261233.db2.gz XGHOROSHALVWRC-OAHLLOKOSA-N 1 0 350.419 2.262 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076387754 542271837 /nfs/dbraw/zinc/27/18/37/542271837.db2.gz URIDSAJLNPTBET-HNNXBMFYSA-N 1 0 371.441 2.223 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000076408255 542275461 /nfs/dbraw/zinc/27/54/61/542275461.db2.gz ATUWWGUHSOSBHT-NWDGAFQWSA-N 1 0 359.835 2.153 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000076480199 542283031 /nfs/dbraw/zinc/28/30/31/542283031.db2.gz CBNLUQDSGDXNQL-DOMZBBRYSA-N 1 0 353.394 2.301 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078208663 542448302 /nfs/dbraw/zinc/44/83/02/542448302.db2.gz AFYUJROKACDGMF-ARFHVFGLSA-N 1 0 359.426 2.306 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000079888862 542547547 /nfs/dbraw/zinc/54/75/47/542547547.db2.gz KHVPQOLCVJYTIY-YOEHRIQHSA-N 1 0 364.446 2.312 20 5 FEBDRO Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080621772 542597700 /nfs/dbraw/zinc/59/77/00/542597700.db2.gz YXVLTRARJGKTAP-UHFFFAOYSA-N 1 0 366.849 2.301 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000090467180 542785535 /nfs/dbraw/zinc/78/55/35/542785535.db2.gz SMKNLVCANQROQQ-CWRNSKLLSA-N 1 0 352.456 2.473 20 5 FEBDRO COc1ccccc1COC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000092422113 542862850 /nfs/dbraw/zinc/86/28/50/542862850.db2.gz CMJXZAKXOIIKDD-UHFFFAOYSA-N 1 0 360.414 2.481 20 5 FEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000092696265 542882444 /nfs/dbraw/zinc/88/24/44/542882444.db2.gz PRVDCRJLAIDNLI-UHFFFAOYSA-N 1 0 357.418 2.105 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCN(C(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000092754166 542884856 /nfs/dbraw/zinc/88/48/56/542884856.db2.gz SOEHEUQVFDKXCH-UHFFFAOYSA-N 1 0 374.397 2.450 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093063859 542907106 /nfs/dbraw/zinc/90/71/06/542907106.db2.gz ZGAIENXDDNWNFU-UHFFFAOYSA-N 1 0 370.409 2.401 20 5 FEBDRO C[N@H+](CCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)Cc1ccccc1 ZINC000104437466 543131407 /nfs/dbraw/zinc/13/14/07/543131407.db2.gz VLWFAJJPXNXKON-UHFFFAOYSA-N 1 0 372.425 2.078 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000109848812 543341788 /nfs/dbraw/zinc/34/17/88/543341788.db2.gz DJBIMYJGBQFRHP-NSHDSACASA-N 1 0 374.363 2.484 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000111301437 543394578 /nfs/dbraw/zinc/39/45/78/543394578.db2.gz YIUQKDPKYUPZDF-GOSISDBHSA-N 1 0 363.458 2.331 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292375 543392756 /nfs/dbraw/zinc/39/27/56/543392756.db2.gz WINOFJAFWBJZCI-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111614767 543408525 /nfs/dbraw/zinc/40/85/25/543408525.db2.gz ZTHKRPUFZUAUHG-GFCCVEGCSA-N 1 0 370.409 2.183 20 5 FEBDRO COCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000112353209 543443107 /nfs/dbraw/zinc/44/31/07/543443107.db2.gz AXQSIJONHKCGND-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2N1 ZINC000112200317 543433840 /nfs/dbraw/zinc/43/38/40/543433840.db2.gz VHPQPYRUVAFSHZ-CQSZACIVSA-N 1 0 374.441 2.028 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115273267 543557881 /nfs/dbraw/zinc/55/78/81/543557881.db2.gz KIUBCFPDLUNXBZ-NVXWUHKLSA-N 1 0 363.458 2.391 20 5 FEBDRO Cn1cc(C[NH2+]CCOC[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115625533 543578600 /nfs/dbraw/zinc/57/86/00/543578600.db2.gz QQVAKVGNSZMILZ-QGZVFWFLSA-N 1 0 360.414 2.281 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118113714 543645877 /nfs/dbraw/zinc/64/58/77/543645877.db2.gz OQBWTMBRQRSMCG-MRXNPFEDSA-N 1 0 362.430 2.304 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000119369371 543667223 /nfs/dbraw/zinc/66/72/23/543667223.db2.gz YVIARXXHKJMRRZ-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc2N1 ZINC000123058303 543740119 /nfs/dbraw/zinc/74/01/19/543740119.db2.gz GEIDVEWYEBLKFN-ZDUSSCGKSA-N 1 0 374.441 2.392 20 5 FEBDRO Cn1cc(C[N@H+](C)[C@H]2CCCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123826194 543785375 /nfs/dbraw/zinc/78/53/75/543785375.db2.gz CRMTVMMCCIFEFW-INIZCTEOSA-N 1 0 357.414 2.096 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000125631163 543893086 /nfs/dbraw/zinc/89/30/86/543893086.db2.gz GOBOPMAMEGICQG-NEPJUHHUSA-N 1 0 359.473 2.070 20 5 FEBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000127227688 543979934 /nfs/dbraw/zinc/97/99/34/543979934.db2.gz PIQFIJPDFBUBGT-CVEARBPZSA-N 1 0 373.384 2.099 20 5 FEBDRO COCC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000128690429 544067357 /nfs/dbraw/zinc/06/73/57/544067357.db2.gz IKAJOOJXMYTTKV-UHFFFAOYSA-N 1 0 359.382 2.145 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000129962020 544133283 /nfs/dbraw/zinc/13/32/83/544133283.db2.gz AHQDDULAWOOVJR-BLLLJJGKSA-N 1 0 363.443 2.052 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130255715 544144472 /nfs/dbraw/zinc/14/44/72/544144472.db2.gz JJOWTDBDLTWWIL-MRXNPFEDSA-N 1 0 374.441 2.188 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000130474522 544152576 /nfs/dbraw/zinc/15/25/76/544152576.db2.gz FQOZOKMDCZVHJN-SECBINFHSA-N 1 0 359.329 2.077 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000130673071 544160572 /nfs/dbraw/zinc/16/05/72/544160572.db2.gz GMGYRZFJWKAHOG-UHFFFAOYSA-N 1 0 357.414 2.099 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000133030560 544252893 /nfs/dbraw/zinc/25/28/93/544252893.db2.gz BFSAPRWYPLPNFN-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000136161797 544367805 /nfs/dbraw/zinc/36/78/05/544367805.db2.gz UOIMXQPJYMVQFD-UHFFFAOYSA-N 1 0 367.471 2.093 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865501 544380605 /nfs/dbraw/zinc/38/06/05/544380605.db2.gz XXKUAKIDZAGIBO-WOJBJXKFSA-N 1 0 371.437 2.291 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000146621471 544440438 /nfs/dbraw/zinc/44/04/38/544440438.db2.gz IQLFBZROOSRCJI-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000150876680 544481875 /nfs/dbraw/zinc/48/18/75/544481875.db2.gz DJZMFJKRPYZLMY-ZFWWWQNUSA-N 1 0 356.430 2.456 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c(C)c1[N+](=O)[O-] ZINC000152513634 544664283 /nfs/dbraw/zinc/66/42/83/544664283.db2.gz HOXYZIOUMPELKG-ZDUSSCGKSA-N 1 0 363.462 2.274 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1OC ZINC000152671919 544681941 /nfs/dbraw/zinc/68/19/41/544681941.db2.gz CPRHNWGYUAGZHP-GFCCVEGCSA-N 1 0 351.403 2.122 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153047839 544727385 /nfs/dbraw/zinc/72/73/85/544727385.db2.gz PCRFFJRSWLJBGQ-AVGNSLFASA-N 1 0 351.403 2.166 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000553415371 674259933 /nfs/dbraw/zinc/25/99/33/674259933.db2.gz GJZFWPKMDRLXDS-QWHCGFSZSA-N 1 0 350.419 2.394 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180415986 327685417 /nfs/dbraw/zinc/68/54/17/327685417.db2.gz TXBQZVDAMANKNZ-SJCJKPOMSA-N 1 0 364.423 2.383 20 5 FEBDRO NC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCCCC1 ZINC000180966669 327710343 /nfs/dbraw/zinc/71/03/43/327710343.db2.gz WQAXEAYIKGPTAA-INIZCTEOSA-N 1 0 363.414 2.375 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000181510176 327733780 /nfs/dbraw/zinc/73/37/80/327733780.db2.gz LGOHGJUVBAIDKK-AEFFLSMTSA-N 1 0 352.431 2.255 20 5 FEBDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000181685717 327741736 /nfs/dbraw/zinc/74/17/36/327741736.db2.gz UTWCJCARAPLVQW-AWEZNQCLSA-N 1 0 369.377 2.457 20 5 FEBDRO CC1CC[NH+](CCCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000183469194 327819721 /nfs/dbraw/zinc/81/97/21/327819721.db2.gz SYPFAFGQTAMQGS-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188044250 328062434 /nfs/dbraw/zinc/06/24/34/328062434.db2.gz DRWTVDUYPGREEF-UHFFFAOYSA-N 1 0 356.382 2.090 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000188176384 328071314 /nfs/dbraw/zinc/07/13/14/328071314.db2.gz CQTSCKZNQVRPNS-HXUWFJFHSA-N 1 0 369.421 2.304 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000188217307 328074057 /nfs/dbraw/zinc/07/40/57/328074057.db2.gz LFCNGKBXKJHWAC-NSHDSACASA-N 1 0 359.423 2.195 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000188464419 328088646 /nfs/dbraw/zinc/08/86/46/328088646.db2.gz MRSJQTHWENFYQK-UHFFFAOYSA-N 1 0 362.430 2.240 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188919253 328117898 /nfs/dbraw/zinc/11/78/98/328117898.db2.gz WITOYCHQKFMGAI-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H](O)C(F)(F)F ZINC000189536127 328153483 /nfs/dbraw/zinc/15/34/83/328153483.db2.gz STFHFGXEMPLKEH-CYBMUJFWSA-N 1 0 363.336 2.477 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190663829 328223192 /nfs/dbraw/zinc/22/31/92/328223192.db2.gz LEPIAODPOFMOKF-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000191783541 328281677 /nfs/dbraw/zinc/28/16/77/328281677.db2.gz CWSCIDOLBUHJBY-BETUJISGSA-N 1 0 351.451 2.298 20 5 FEBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000191991410 328292275 /nfs/dbraw/zinc/29/22/75/328292275.db2.gz CJNBFTQRXNLUDD-GHMZBOCLSA-N 1 0 374.363 2.246 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1C ZINC000191928328 328289143 /nfs/dbraw/zinc/28/91/43/328289143.db2.gz FZVVKPHIAMHAIT-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]2C1 ZINC000192477374 328321211 /nfs/dbraw/zinc/32/12/11/328321211.db2.gz OFNIQJQKIPNGCI-GASCZTMLSA-N 1 0 358.442 2.219 20 5 FEBDRO COc1cccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000192676980 328332673 /nfs/dbraw/zinc/33/26/73/328332673.db2.gz XMIZCGLIDSPFDE-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO O=C(OCc1ccccc1)N1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000192886633 328344904 /nfs/dbraw/zinc/34/49/04/328344904.db2.gz UTDWRBZDIGQYST-UHFFFAOYSA-N 1 0 373.413 2.182 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c1[N+](=O)[O-] ZINC000193435407 328375425 /nfs/dbraw/zinc/37/54/25/328375425.db2.gz VZTUTMBBOOVQPL-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193640413 328387057 /nfs/dbraw/zinc/38/70/57/328387057.db2.gz MDQHPWFJSLBVOY-UTUOFQBUSA-N 1 0 352.822 2.069 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000193794179 328395673 /nfs/dbraw/zinc/39/56/73/328395673.db2.gz OAZGRSUPGNNWND-HNNXBMFYSA-N 1 0 357.414 2.063 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000195225989 328462976 /nfs/dbraw/zinc/46/29/76/328462976.db2.gz KJGZMQYBJWCGJZ-IBGZPJMESA-N 1 0 370.409 2.222 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000078470858 325047264 /nfs/dbraw/zinc/04/72/64/325047264.db2.gz MTOSEWKBCZSLOC-UHFFFAOYSA-N 1 0 359.430 2.138 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078983279 325069849 /nfs/dbraw/zinc/06/98/49/325069849.db2.gz IJQGYDYFCYRPIX-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO C[C@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC[NH2+]CC1 ZINC000237578944 328520950 /nfs/dbraw/zinc/52/09/50/328520950.db2.gz RAGIFLPYDIPZOT-HIFRSBDPSA-N 1 0 361.446 2.028 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000081360886 325171193 /nfs/dbraw/zinc/17/11/93/325171193.db2.gz WAECEOCYGCKIHB-CYBMUJFWSA-N 1 0 363.414 2.185 20 5 FEBDRO Cc1cc(F)ccc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000237628588 328522840 /nfs/dbraw/zinc/52/28/40/328522840.db2.gz YLTIGTDKHDZBSB-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000237803831 328529330 /nfs/dbraw/zinc/52/93/30/328529330.db2.gz ZFOWARGSPBQEEF-QGZVFWFLSA-N 1 0 357.414 2.418 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000097025190 325457141 /nfs/dbraw/zinc/45/71/41/325457141.db2.gz OTTWVRPRKMUXQO-UHFFFAOYSA-N 1 0 359.430 2.457 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000109794937 325677778 /nfs/dbraw/zinc/67/77/78/325677778.db2.gz MESHFEIUIOZPIB-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116589521 326026252 /nfs/dbraw/zinc/02/62/52/326026252.db2.gz RXFCEPFLYQJVIC-HNNXBMFYSA-N 1 0 364.446 2.324 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118117333 326082958 /nfs/dbraw/zinc/08/29/58/326082958.db2.gz HHXCOILQKLFMIS-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119785100 326197887 /nfs/dbraw/zinc/19/78/87/326197887.db2.gz FKBZKQZKFSUGDD-GFCCVEGCSA-N 1 0 355.822 2.317 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120380910 326254286 /nfs/dbraw/zinc/25/42/86/326254286.db2.gz FUYIDDVCXORCQY-OLMNPRSZSA-N 1 0 359.426 2.229 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000121679576 326357695 /nfs/dbraw/zinc/35/76/95/326357695.db2.gz WEWVSGKSDZGNDX-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO C[NH+](C)CCOc1cc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000124328213 326451919 /nfs/dbraw/zinc/45/19/19/326451919.db2.gz XCYVSHFNDGOOQL-UHFFFAOYSA-N 1 0 372.425 2.179 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124461395 326454329 /nfs/dbraw/zinc/45/43/29/326454329.db2.gz FIJKOTKVCNRQAK-LBPRGKRZSA-N 1 0 359.473 2.071 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153527756 326735132 /nfs/dbraw/zinc/73/51/32/326735132.db2.gz LVSAWOXWCBINMT-DTORHVGOSA-N 1 0 359.329 2.027 20 5 FEBDRO COc1cc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000157803255 326875767 /nfs/dbraw/zinc/87/57/67/326875767.db2.gz JNQSAEHGICVJTB-QGZVFWFLSA-N 1 0 350.346 2.445 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CCCCC1 ZINC000161886664 327011393 /nfs/dbraw/zinc/01/13/93/327011393.db2.gz QIFPAMLVKDUDLU-OAHLLOKOSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000163686789 327056709 /nfs/dbraw/zinc/05/67/09/327056709.db2.gz TULRGNOZXQLDQY-KOLCDFICSA-N 1 0 356.220 2.414 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163961747 327061802 /nfs/dbraw/zinc/06/18/02/327061802.db2.gz CZEKAOYMEGSLCS-OAHLLOKOSA-N 1 0 369.487 2.131 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000165502395 327078387 /nfs/dbraw/zinc/07/83/87/327078387.db2.gz AWHGWZIUXFFMFD-LBPRGKRZSA-N 1 0 363.443 2.032 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)c2)CC1 ZINC000171271990 327128960 /nfs/dbraw/zinc/12/89/60/327128960.db2.gz HUBJXLXPZOUWCR-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO CCc1cc(N2CCC[N@H+](CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171681852 327154489 /nfs/dbraw/zinc/15/44/89/327154489.db2.gz PIGXJWKQEZNGOL-UHFFFAOYSA-N 1 0 371.441 2.119 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171774813 327160809 /nfs/dbraw/zinc/16/08/09/327160809.db2.gz NQIPHLNQFKAHKF-GFCCVEGCSA-N 1 0 357.414 2.057 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172017827 327176390 /nfs/dbraw/zinc/17/63/90/327176390.db2.gz AWVJIPYLZITQQN-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172461560 327202614 /nfs/dbraw/zinc/20/26/14/327202614.db2.gz WMJVTYOOKMDPNZ-AATRIKPKSA-N 1 0 359.426 2.179 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544427 327207346 /nfs/dbraw/zinc/20/73/46/327207346.db2.gz ISIZJDKDCNVWIW-CYBMUJFWSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172583650 327209878 /nfs/dbraw/zinc/20/98/78/327209878.db2.gz FRUHFRYXFSWDDH-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172648534 327213303 /nfs/dbraw/zinc/21/33/03/327213303.db2.gz UBNJPXLHRRKTNP-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173238456 327243428 /nfs/dbraw/zinc/24/34/28/327243428.db2.gz IWENRHNRMHNGFS-JQWIXIFHSA-N 1 0 361.851 2.209 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173514260 327262704 /nfs/dbraw/zinc/26/27/04/327262704.db2.gz VTYFYVAYKGARNQ-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000173512500 327262780 /nfs/dbraw/zinc/26/27/80/327262780.db2.gz OZUGUODVXJLAPK-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO COc1ccc(NC(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173644032 327272992 /nfs/dbraw/zinc/27/29/92/327272992.db2.gz IBDRGUQDDNAHPD-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173670619 327275463 /nfs/dbraw/zinc/27/54/63/327275463.db2.gz WXIOGQMAPNYOHY-CYBMUJFWSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173669269 327275501 /nfs/dbraw/zinc/27/55/01/327275501.db2.gz DQRFIPBBYSHHSH-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173669854 327275570 /nfs/dbraw/zinc/27/55/70/327275570.db2.gz GPYRLWGROOCCFE-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000173792381 327284394 /nfs/dbraw/zinc/28/43/94/327284394.db2.gz HFHXWTLZSXTJQJ-CQSZACIVSA-N 1 0 365.430 2.173 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173952779 327297031 /nfs/dbraw/zinc/29/70/31/327297031.db2.gz ZGKLMPMXYAEECH-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000174320208 327319580 /nfs/dbraw/zinc/31/95/80/327319580.db2.gz LBWSLJUBHOPITL-CYBMUJFWSA-N 1 0 362.386 2.369 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718320 327345337 /nfs/dbraw/zinc/34/53/37/327345337.db2.gz UFDOBDYYTPUNDW-GWCFXTLKSA-N 1 0 356.329 2.104 20 5 FEBDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715886 327345537 /nfs/dbraw/zinc/34/55/37/327345537.db2.gz AKAZAJLJBZTWKO-ZDUSSCGKSA-N 1 0 358.320 2.303 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000174793467 327351549 /nfs/dbraw/zinc/35/15/49/327351549.db2.gz SADIUTSJIAQEOA-SFHVURJKSA-N 1 0 365.430 2.463 20 5 FEBDRO CC[C@@H](C)N(CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866522 327356274 /nfs/dbraw/zinc/35/62/74/327356274.db2.gz OFMAKHHVZGHSRE-CYBMUJFWSA-N 1 0 370.413 2.329 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000175080987 327372773 /nfs/dbraw/zinc/37/27/73/327372773.db2.gz OALHPBJMTUNKAZ-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000175089595 327373553 /nfs/dbraw/zinc/37/35/53/327373553.db2.gz YZROREHJYZATOV-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000175115441 327375170 /nfs/dbraw/zinc/37/51/70/327375170.db2.gz RGTNADHUIYQESY-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175208946 327380059 /nfs/dbraw/zinc/38/00/59/327380059.db2.gz PHXSZQAHEIKMCM-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000175279849 327383979 /nfs/dbraw/zinc/38/39/79/327383979.db2.gz LUJZUNZEQOAVCO-CQSZACIVSA-N 1 0 364.446 2.460 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177470080 327524894 /nfs/dbraw/zinc/52/48/94/327524894.db2.gz BZEZOLJWYXMAQF-KGLIPLIRSA-N 1 0 372.429 2.087 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000177540285 327529331 /nfs/dbraw/zinc/52/93/31/327529331.db2.gz ZEMMABGOQVPBID-NWDGAFQWSA-N 1 0 351.403 2.215 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2N)[NH+](C)C)c1 ZINC000178151006 327568655 /nfs/dbraw/zinc/56/86/55/327568655.db2.gz DSVUBFOKMJPARC-MRXNPFEDSA-N 1 0 358.398 2.218 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178620762 327596304 /nfs/dbraw/zinc/59/63/04/327596304.db2.gz XXOSPDJRAKUOEQ-LBPRGKRZSA-N 1 0 368.821 2.434 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000261741475 328815836 /nfs/dbraw/zinc/81/58/36/328815836.db2.gz PGQYEOAUJAHWHD-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])c1OC ZINC000261863025 328825107 /nfs/dbraw/zinc/82/51/07/328825107.db2.gz WQDFNDFHIVNVIY-LSDHHAIUSA-N 1 0 371.393 2.179 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1SC ZINC000261880343 328826543 /nfs/dbraw/zinc/82/65/43/328826543.db2.gz TZEWWRZFYOQDDP-TXEJJXNPSA-N 1 0 365.455 2.397 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000262465952 328867644 /nfs/dbraw/zinc/86/76/44/328867644.db2.gz NRJLFCZVBWGKNM-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000262466111 328867652 /nfs/dbraw/zinc/86/76/52/328867652.db2.gz XTACTMVYLMVPCP-OAHLLOKOSA-N 1 0 371.393 2.229 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263824000 328965904 /nfs/dbraw/zinc/96/59/04/328965904.db2.gz RDCXOMILRQSWNP-KRWDZBQOSA-N 1 0 373.457 2.087 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264522416 329032532 /nfs/dbraw/zinc/03/25/32/329032532.db2.gz MSGYVFPASYQZKF-VQFGERMISA-N 1 0 372.469 2.237 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264616065 329041272 /nfs/dbraw/zinc/04/12/72/329041272.db2.gz QQFQWIFMYAJCGU-OAHLLOKOSA-N 1 0 362.430 2.373 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000264636401 329043192 /nfs/dbraw/zinc/04/31/92/329043192.db2.gz UZKVTSNGTGDDPD-CQSZACIVSA-N 1 0 367.471 2.453 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000265024544 329084074 /nfs/dbraw/zinc/08/40/74/329084074.db2.gz JGDJAASWZWKBAE-UHFFFAOYSA-N 1 0 373.457 2.080 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986807 329179342 /nfs/dbraw/zinc/17/93/42/329179342.db2.gz KVRHHJQCCWMCBM-WCQYABFASA-N 1 0 351.403 2.024 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266207026 329200602 /nfs/dbraw/zinc/20/06/02/329200602.db2.gz PMTFKOATKGDHED-DGCLKSJQSA-N 1 0 359.423 2.085 20 5 FEBDRO COc1ccc(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1[N+](=O)[O-] ZINC000266635460 329244129 /nfs/dbraw/zinc/24/41/29/329244129.db2.gz XNOZHZGSQGZUQJ-QGZVFWFLSA-N 1 0 365.430 2.013 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266813385 329262013 /nfs/dbraw/zinc/26/20/13/329262013.db2.gz WOTRUXPPCHFPRM-AWEZNQCLSA-N 1 0 364.446 2.488 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000267074284 329289139 /nfs/dbraw/zinc/28/91/39/329289139.db2.gz FDPXLMVJNOKKAB-OAHLLOKOSA-N 1 0 355.485 2.484 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCSC1 ZINC000267097040 329291673 /nfs/dbraw/zinc/29/16/73/329291673.db2.gz JXGCTZAQMWIINQ-KRWDZBQOSA-N 1 0 362.455 2.103 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267287609 329310827 /nfs/dbraw/zinc/31/08/27/329310827.db2.gz WWHOUAMAGXRVBV-UHFFFAOYSA-N 1 0 373.251 2.035 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369639 329320114 /nfs/dbraw/zinc/32/01/14/329320114.db2.gz FUJMOPOLINRSLX-QAPCUYQASA-N 1 0 371.441 2.208 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000267437877 329327429 /nfs/dbraw/zinc/32/74/29/329327429.db2.gz NXUJMMFVZKACDL-WMLDXEAASA-N 1 0 371.441 2.127 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267947096 329370724 /nfs/dbraw/zinc/37/07/24/329370724.db2.gz USZOBLLVBCGFEI-SECBINFHSA-N 1 0 360.183 2.320 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000273185723 329843942 /nfs/dbraw/zinc/84/39/42/329843942.db2.gz BTZAISTXDOUKQU-SNVBAGLBSA-N 1 0 361.489 2.226 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000273968479 329906228 /nfs/dbraw/zinc/90/62/28/329906228.db2.gz HHSKAJRQVSJSLS-WCQYABFASA-N 1 0 351.403 2.409 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275131090 330013588 /nfs/dbraw/zinc/01/35/88/330013588.db2.gz OOGXDPHZBXPBHV-GJZGRUSLSA-N 1 0 353.419 2.386 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275290440 330031256 /nfs/dbraw/zinc/03/12/56/330031256.db2.gz OOZGNOLBHTXFPT-LSDHHAIUSA-N 1 0 353.419 2.386 20 5 FEBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CCOCC2)ccc1Br ZINC000275960514 330106847 /nfs/dbraw/zinc/10/68/47/330106847.db2.gz KMWXNVVNODNLHL-UHFFFAOYSA-N 1 0 359.220 2.331 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000281805023 330175593 /nfs/dbraw/zinc/17/55/93/330175593.db2.gz UCQIDHLFZIUWFC-UHFFFAOYSA-N 1 0 363.414 2.329 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000367090871 330215753 /nfs/dbraw/zinc/21/57/53/330215753.db2.gz DMSYAXRXAZNCET-GJZGRUSLSA-N 1 0 366.393 2.105 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369327426 330239645 /nfs/dbraw/zinc/23/96/45/330239645.db2.gz RTZGLAGAUATRRI-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000369339620 330241763 /nfs/dbraw/zinc/24/17/63/330241763.db2.gz OZFCIOWHXQCKDM-AAEUAGOBSA-N 1 0 353.806 2.228 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000554720493 674332240 /nfs/dbraw/zinc/33/22/40/674332240.db2.gz YMQUPJWCHFMBCU-GOEBONIOSA-N 1 0 365.455 2.289 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247558322 549356154 /nfs/dbraw/zinc/35/61/54/549356154.db2.gz RPDLCFHFOMIBDF-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO CC(=O)N1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000157805757 545786272 /nfs/dbraw/zinc/78/62/72/545786272.db2.gz SSRYJSLPIGGRKR-UHFFFAOYSA-N 1 0 356.220 2.412 20 5 FEBDRO COC(=O)c1cnc(NC[C@H](c2ccccc2OC)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000478288676 561163652 /nfs/dbraw/zinc/16/36/52/561163652.db2.gz KQYYSNXFMRHHGU-OAHLLOKOSA-N 1 0 374.397 2.500 20 5 FEBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160642997 546059045 /nfs/dbraw/zinc/05/90/45/546059045.db2.gz VRJWSNUPQXQUFR-HZPDHXFCSA-N 1 0 373.384 2.099 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161313802 546119273 /nfs/dbraw/zinc/11/92/73/546119273.db2.gz XKVRRQLPVMJGLN-UHFFFAOYSA-N 1 0 366.381 2.362 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000171445847 546208941 /nfs/dbraw/zinc/20/89/41/546208941.db2.gz FPYFXXLNPSHWGR-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000479585361 561192501 /nfs/dbraw/zinc/19/25/01/561192501.db2.gz AWEAGYGHKQKZML-UHFFFAOYSA-N 1 0 366.805 2.202 20 5 FEBDRO CN(CC[NH+]1CCCC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000480518191 561210972 /nfs/dbraw/zinc/21/09/72/561210972.db2.gz JYKLZOBWLFUOSC-UHFFFAOYSA-N 1 0 357.414 2.091 20 5 FEBDRO Cc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000177065218 546536948 /nfs/dbraw/zinc/53/69/48/546536948.db2.gz XQNGDSAJWHBPBB-UHFFFAOYSA-N 1 0 364.446 2.058 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)nc1 ZINC000177199373 546568870 /nfs/dbraw/zinc/56/88/70/546568870.db2.gz VDQMYDHQRUKQIR-HNNXBMFYSA-N 1 0 365.397 2.257 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000481068437 561224365 /nfs/dbraw/zinc/22/43/65/561224365.db2.gz GVWYIRGFFYOWTP-UHFFFAOYSA-N 1 0 350.400 2.473 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000481539379 561235641 /nfs/dbraw/zinc/23/56/41/561235641.db2.gz GKEKTWGVZNYZIS-MRXNPFEDSA-N 1 0 351.403 2.289 20 5 FEBDRO CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000178800456 546851879 /nfs/dbraw/zinc/85/18/79/546851879.db2.gz HSZJVMXHUCBDMV-RUZDIDTESA-N 1 0 361.423 2.063 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179219698 546916787 /nfs/dbraw/zinc/91/67/87/546916787.db2.gz GPCOQNOESPHETL-OAHLLOKOSA-N 1 0 369.425 2.481 20 5 FEBDRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338942 546934506 /nfs/dbraw/zinc/93/45/06/546934506.db2.gz HYTRFVQVAJKOLQ-MRXNPFEDSA-N 1 0 351.403 2.051 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000481984056 561246829 /nfs/dbraw/zinc/24/68/29/561246829.db2.gz UVMUGAIXSVIBHF-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180554006 547129529 /nfs/dbraw/zinc/12/95/29/547129529.db2.gz XEPVCNVXCKOZHC-UHFFFAOYSA-N 1 0 373.438 2.373 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000180582713 547135884 /nfs/dbraw/zinc/13/58/84/547135884.db2.gz SWMKGGBHGAPCJF-ZFWWWQNUSA-N 1 0 369.425 2.355 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180993586 547225659 /nfs/dbraw/zinc/22/56/59/547225659.db2.gz GBIAUOPEGAMAEB-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277042 561272718 /nfs/dbraw/zinc/27/27/18/561272718.db2.gz IMHLIZNBIYTTFS-CZUORRHYSA-N 1 0 361.398 2.264 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000181725734 547368062 /nfs/dbraw/zinc/36/80/62/547368062.db2.gz FUXAYRBZFSTTPX-INIZCTEOSA-N 1 0 355.460 2.138 20 5 FEBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292793 547468699 /nfs/dbraw/zinc/46/86/99/547468699.db2.gz QTCIURUHDLSIER-HOTGVXAUSA-N 1 0 374.441 2.023 20 5 FEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000182382815 547482161 /nfs/dbraw/zinc/48/21/61/547482161.db2.gz AZCRCCRGLNDHJU-DETPVDSQSA-N 1 0 351.403 2.478 20 5 FEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000182384384 547482755 /nfs/dbraw/zinc/48/27/55/547482755.db2.gz PITHCRHCAXUOQN-CJNGLKHVSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183287898 547633128 /nfs/dbraw/zinc/63/31/28/547633128.db2.gz XDLSCHLLBPZGFZ-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@H](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183297298 547635261 /nfs/dbraw/zinc/63/52/61/547635261.db2.gz ZMWLFIVVKLTVIX-OAHLLOKOSA-N 1 0 369.487 2.321 20 5 FEBDRO CS[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000484615984 561301340 /nfs/dbraw/zinc/30/13/40/561301340.db2.gz ISDDOEHJMZGIQM-IAGOWNOFSA-N 1 0 351.472 2.485 20 5 FEBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000484647319 561302255 /nfs/dbraw/zinc/30/22/55/561302255.db2.gz BVCMFMZOUBNRAE-JENIJYKNSA-N 1 0 374.441 2.440 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184067842 547764529 /nfs/dbraw/zinc/76/45/29/547764529.db2.gz JUKWKVBZLMSCRC-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000184450013 547828576 /nfs/dbraw/zinc/82/85/76/547828576.db2.gz JAUKUPKMBOWNAV-ZYHUDNBSSA-N 1 0 353.448 2.257 20 5 FEBDRO C[NH+](C)CC1(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000185096468 547932651 /nfs/dbraw/zinc/93/26/51/547932651.db2.gz WOGHNCIZAHOUFQ-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158681 547943971 /nfs/dbraw/zinc/94/39/71/547943971.db2.gz KAPMFRAAHZZARG-ZFWWWQNUSA-N 1 0 367.421 2.407 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179032 547946502 /nfs/dbraw/zinc/94/65/02/547946502.db2.gz NWKWMNUCDBMINL-JSGCOSHPSA-N 1 0 353.394 2.064 20 5 FEBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185911591 548058079 /nfs/dbraw/zinc/05/80/79/548058079.db2.gz QVVHVFYSIFNHAQ-UHFFFAOYSA-N 1 0 355.460 2.480 20 5 FEBDRO CC1CCN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])CC1 ZINC000186382256 548126999 /nfs/dbraw/zinc/12/69/99/548126999.db2.gz FRBIGLDHBZWOEQ-UHFFFAOYSA-N 1 0 358.442 2.481 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CC2)cc1OC ZINC000186706315 548178515 /nfs/dbraw/zinc/17/85/15/548178515.db2.gz HHEJUAVMVKJZCW-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nnc3n2CCCCC3)c([N+](=O)[O-])c1 ZINC000194196312 548447906 /nfs/dbraw/zinc/44/79/06/548447906.db2.gz WJDOFLBUEWCQAY-UHFFFAOYSA-N 1 0 360.374 2.153 20 5 FEBDRO C[NH+](C)CCOC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486969175 561360503 /nfs/dbraw/zinc/36/05/03/561360503.db2.gz PLGDYNDYOMRGTL-UHFFFAOYSA-N 1 0 361.402 2.192 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237214851 548809185 /nfs/dbraw/zinc/80/91/85/548809185.db2.gz OYSWGMNBVRRDAI-OCCSQVGLSA-N 1 0 367.471 2.422 20 5 FEBDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237233038 548811147 /nfs/dbraw/zinc/81/11/47/548811147.db2.gz LXGCIEQTDISWLU-GFCCVEGCSA-N 1 0 356.220 2.110 20 5 FEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000237667185 548843809 /nfs/dbraw/zinc/84/38/09/548843809.db2.gz XFMZUQDWTHVQQH-JTQLQIEISA-N 1 0 361.320 2.408 20 5 FEBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000237739265 548849186 /nfs/dbraw/zinc/84/91/86/548849186.db2.gz NZLVJIDFNYVIJC-UHFFFAOYSA-N 1 0 363.439 2.112 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245910217 549017022 /nfs/dbraw/zinc/01/70/22/549017022.db2.gz VLHZJRTWYZQBLX-HOCLYGCPSA-N 1 0 369.425 2.337 20 5 FEBDRO CCC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000245930629 549022487 /nfs/dbraw/zinc/02/24/87/549022487.db2.gz PFINSQCGGXGBSM-ZWKOTPCHSA-N 1 0 351.447 2.061 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000246322605 549105984 /nfs/dbraw/zinc/10/59/84/549105984.db2.gz RUSJSGHWRONSGN-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758531 561396280 /nfs/dbraw/zinc/39/62/80/561396280.db2.gz JLGFESKDUYYNCY-GHMZBOCLSA-N 1 0 360.357 2.450 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000247933331 549393091 /nfs/dbraw/zinc/39/30/91/549393091.db2.gz CGALQKCVWYYMPZ-RDTXWAMCSA-N 1 0 369.425 2.337 20 5 FEBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000248554923 549456435 /nfs/dbraw/zinc/45/64/35/549456435.db2.gz AZCRCCRGLNDHJU-PVXIVEMSSA-N 1 0 351.403 2.478 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC(COc3ccccc3)C2)c1 ZINC000489484600 561412614 /nfs/dbraw/zinc/41/26/14/561412614.db2.gz RDWSCEQAKXHJSM-KRWDZBQOSA-N 1 0 358.394 2.345 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000248891752 549523312 /nfs/dbraw/zinc/52/33/12/549523312.db2.gz FWZRDEIXBOMNPG-GWCFXTLKSA-N 1 0 360.357 2.450 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000249299470 549579160 /nfs/dbraw/zinc/57/91/60/549579160.db2.gz CMNOCDFFNSYAKA-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO COc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000252480757 549667645 /nfs/dbraw/zinc/66/76/45/549667645.db2.gz FRALGKSEIYXKNM-KBXCAEBGSA-N 1 0 374.441 2.462 20 5 FEBDRO COc1ccc(OCCN2CC[NH2+]C[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000261602951 549732883 /nfs/dbraw/zinc/73/28/83/549732883.db2.gz ASBAVCWYVWOMNY-KRWDZBQOSA-N 1 0 358.398 2.024 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261603031 549733232 /nfs/dbraw/zinc/73/32/32/549733232.db2.gz CEFOJGMTIPASCF-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261720029 549747020 /nfs/dbraw/zinc/74/70/20/549747020.db2.gz QPFMYYJVSJYFMJ-AWEZNQCLSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1SC ZINC000262595774 549831350 /nfs/dbraw/zinc/83/13/50/549831350.db2.gz JUEGJEAJOCERFQ-MNOVXSKESA-N 1 0 351.428 2.292 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262762938 549847035 /nfs/dbraw/zinc/84/70/35/549847035.db2.gz ANHJBOLCABLTAV-WCQYABFASA-N 1 0 353.444 2.093 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000269015763 550144440 /nfs/dbraw/zinc/14/44/40/550144440.db2.gz ODQUMWXRJMLTDZ-IUODEOHRSA-N 1 0 351.378 2.055 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000269049943 550149502 /nfs/dbraw/zinc/14/95/02/550149502.db2.gz XOFWPPBKBJETKT-WBVHZDCISA-N 1 0 356.426 2.492 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000269247546 550172429 /nfs/dbraw/zinc/17/24/29/550172429.db2.gz YRVBCKYBAVFKNW-NEPJUHHUSA-N 1 0 351.403 2.120 20 5 FEBDRO CC(C)c1nc(C2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)no1 ZINC000270571738 550284923 /nfs/dbraw/zinc/28/49/23/550284923.db2.gz NTJKYGOYVLKKNA-UHFFFAOYSA-N 1 0 361.402 2.143 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000270898580 550318626 /nfs/dbraw/zinc/31/86/26/550318626.db2.gz FBGQKOIWVGNLCF-MQVJKMGUSA-N 1 0 369.425 2.254 20 5 FEBDRO CCCC[N@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271797944 550402582 /nfs/dbraw/zinc/40/25/82/550402582.db2.gz WCMRAXVUYAYFFA-UHFFFAOYSA-N 1 0 353.419 2.417 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272474567 550451203 /nfs/dbraw/zinc/45/12/03/550451203.db2.gz IRHFXUWZTHIAFM-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272597571 550459755 /nfs/dbraw/zinc/45/97/55/550459755.db2.gz UTNMZWMUQHZGOB-GFCCVEGCSA-N 1 0 361.427 2.300 20 5 FEBDRO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1=CC[N@H+](C)CC1 ZINC000272651720 550463285 /nfs/dbraw/zinc/46/32/85/550463285.db2.gz ARNZJHNONOBCGL-CYBMUJFWSA-N 1 0 355.398 2.161 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000273035946 550481735 /nfs/dbraw/zinc/48/17/35/550481735.db2.gz NWZDTXWNQFSGCC-MRXNPFEDSA-N 1 0 351.447 2.139 20 5 FEBDRO Cc1nccn1CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274822055 550557412 /nfs/dbraw/zinc/55/74/12/550557412.db2.gz KDKUCOSIXRCTJB-UHFFFAOYSA-N 1 0 369.429 2.188 20 5 FEBDRO COC1(C[C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277154182 550637786 /nfs/dbraw/zinc/63/77/86/550637786.db2.gz QLESIMFEFHVVEJ-ZDUSSCGKSA-N 1 0 356.444 2.306 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494883873 561478448 /nfs/dbraw/zinc/47/84/48/561478448.db2.gz UJENUUAQUKLOAE-GMXVVIOVSA-N 1 0 353.806 2.226 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000277853912 550721646 /nfs/dbraw/zinc/72/16/46/550721646.db2.gz CQJKVGBALLSRMH-MRXNPFEDSA-N 1 0 357.414 2.494 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086359 550747617 /nfs/dbraw/zinc/74/76/17/550747617.db2.gz PQACPZJHHAWQFA-NWDGAFQWSA-N 1 0 360.418 2.143 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278173166 550757304 /nfs/dbraw/zinc/75/73/04/550757304.db2.gz CTOSUJJEVSRLDF-UHFFFAOYSA-N 1 0 362.352 2.292 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278493532 550792096 /nfs/dbraw/zinc/79/20/96/550792096.db2.gz WKUQMHTUOLDEHN-UHFFFAOYSA-N 1 0 362.337 2.272 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000278570813 550800125 /nfs/dbraw/zinc/80/01/25/550800125.db2.gz PMKVUPRFEYIJGN-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000278598057 550802812 /nfs/dbraw/zinc/80/28/12/550802812.db2.gz IFPTTWCBZOQRCW-GDBMZVCRSA-N 1 0 351.403 2.479 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000278718852 550814864 /nfs/dbraw/zinc/81/48/64/550814864.db2.gz PITHUWPWRQCIFT-CQSZACIVSA-N 1 0 372.429 2.241 20 5 FEBDRO O=C1C[C@]2(CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000278915034 550835373 /nfs/dbraw/zinc/83/53/73/550835373.db2.gz QUWXSEPRUUIRPF-GOSISDBHSA-N 1 0 356.382 2.004 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000279383532 550883789 /nfs/dbraw/zinc/88/37/89/550883789.db2.gz IEMLGZQTMIVGGB-GFCCVEGCSA-N 1 0 350.394 2.264 20 5 FEBDRO O=[N+]([O-])c1cnc2c(c1)CN(C[C@H](O)COc1cccc3[nH]ccc31)CC2 ZINC000495443603 561488021 /nfs/dbraw/zinc/48/80/21/561488021.db2.gz DLUWJLWZTRJYJN-HNNXBMFYSA-N 1 0 368.393 2.269 20 5 FEBDRO CC(C)CCSc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000495375369 561487269 /nfs/dbraw/zinc/48/72/69/561487269.db2.gz KEHQFIPMDKCJRM-UKRRQHHQSA-N 1 0 367.471 2.043 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658476 551018506 /nfs/dbraw/zinc/01/85/06/551018506.db2.gz DSUJMWUPJQAXSG-APPDUMDISA-N 1 0 359.386 2.164 20 5 FEBDRO C[C@@H]1C[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)O1 ZINC000281039554 551057053 /nfs/dbraw/zinc/05/70/53/551057053.db2.gz VIORKTSJIAPDEP-VXGBXAGGSA-N 1 0 361.402 2.155 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497459488 561501412 /nfs/dbraw/zinc/50/14/12/561501412.db2.gz JWXKGSITWDQYNP-WBVHZDCISA-N 1 0 360.458 2.001 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000282893336 551282859 /nfs/dbraw/zinc/28/28/59/551282859.db2.gz XLSSLITVTUGVCU-QGZVFWFLSA-N 1 0 366.487 2.216 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000282925904 551285735 /nfs/dbraw/zinc/28/57/35/551285735.db2.gz HTRUBUUDYYZNSQ-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000283121513 551314967 /nfs/dbraw/zinc/31/49/67/551314967.db2.gz MZMNBDAOLOCVIV-RYUDHWBXSA-N 1 0 367.402 2.109 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000497801935 561509179 /nfs/dbraw/zinc/50/91/79/561509179.db2.gz DZUDCVXMJGIVTM-RDJZCZTQSA-N 1 0 365.393 2.299 20 5 FEBDRO CC[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)[N@@H+]1CCc2ccccc2C1 ZINC000498039406 561514368 /nfs/dbraw/zinc/51/43/68/561514368.db2.gz VIOFOZXUKGRAQN-KRWDZBQOSA-N 1 0 371.441 2.053 20 5 FEBDRO CN1CC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000498132831 561516729 /nfs/dbraw/zinc/51/67/29/561516729.db2.gz SQVMEFPRBPMWNU-GOSISDBHSA-N 1 0 371.441 2.032 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284152756 551493452 /nfs/dbraw/zinc/49/34/52/551493452.db2.gz VYQLIXNWQSZHOJ-LBPRGKRZSA-N 1 0 369.853 2.396 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1c1ccccc1 ZINC000284375114 551535918 /nfs/dbraw/zinc/53/59/18/551535918.db2.gz LMMAGWPOSDGYRQ-RDJZCZTQSA-N 1 0 358.373 2.491 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313865 561521804 /nfs/dbraw/zinc/52/18/04/561521804.db2.gz ZXWYXNXHWYXKOG-CABCVRRESA-N 1 0 361.446 2.267 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284898279 551662120 /nfs/dbraw/zinc/66/21/20/551662120.db2.gz RRNOFBVWVNONRE-DLBZAZTESA-N 1 0 372.425 2.197 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917173 551827038 /nfs/dbraw/zinc/82/70/38/551827038.db2.gz SSKZBQYEZHRBHD-QWHCGFSZSA-N 1 0 351.378 2.198 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+](C)C)n1 ZINC000286180671 551858214 /nfs/dbraw/zinc/85/82/14/551858214.db2.gz JGPBRZLDZRZMQO-UHFFFAOYSA-N 1 0 374.397 2.329 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000499097775 561543313 /nfs/dbraw/zinc/54/33/13/561543313.db2.gz QTTKYERXEGBKBQ-LLVKDONJSA-N 1 0 361.851 2.319 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000286310814 551872527 /nfs/dbraw/zinc/87/25/27/551872527.db2.gz IOHUJSAORPQYTI-STQMWFEESA-N 1 0 353.444 2.290 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286319509 551873558 /nfs/dbraw/zinc/87/35/58/551873558.db2.gz JQOPVOLUUXVVKH-UHFFFAOYSA-N 1 0 355.410 2.298 20 5 FEBDRO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286324360 551874462 /nfs/dbraw/zinc/87/44/62/551874462.db2.gz JWWQVWUNRSOLNU-FUNVUKJBSA-N 1 0 353.444 2.060 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286930725 551941626 /nfs/dbraw/zinc/94/16/26/551941626.db2.gz NIYJMTWLDKDXNC-XJKSGUPXSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000499264250 561547135 /nfs/dbraw/zinc/54/71/35/561547135.db2.gz LQZRCBFIZFGCTR-HNNXBMFYSA-N 1 0 356.382 2.099 20 5 FEBDRO COCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000287192559 551974749 /nfs/dbraw/zinc/97/47/49/551974749.db2.gz CZQFINYHNUYCPQ-UHFFFAOYSA-N 1 0 374.397 2.086 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000499830254 561559423 /nfs/dbraw/zinc/55/94/23/561559423.db2.gz PNTDNPNMXNUDED-CQSZACIVSA-N 1 0 352.435 2.426 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC)C[C@H]2C)cc1OC ZINC000288638663 552189750 /nfs/dbraw/zinc/18/97/50/552189750.db2.gz YZFMJZNCZAKIRS-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000288823527 552219386 /nfs/dbraw/zinc/21/93/86/552219386.db2.gz IJERFZIRCGTCTO-SJORKVTESA-N 1 0 373.457 2.415 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000289333003 552302660 /nfs/dbraw/zinc/30/26/60/552302660.db2.gz VVQKSDKUFJJGNC-HAQNSBGRSA-N 1 0 358.398 2.344 20 5 FEBDRO COCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289900916 552396780 /nfs/dbraw/zinc/39/67/80/552396780.db2.gz NKMXBNJZRVIMDQ-UHFFFAOYSA-N 1 0 350.156 2.326 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000290598531 552504467 /nfs/dbraw/zinc/50/44/67/552504467.db2.gz JHIHHNKXGRCOLL-UHFFFAOYSA-N 1 0 362.430 2.297 20 5 FEBDRO C[C@@H](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000290731328 552527672 /nfs/dbraw/zinc/52/76/72/552527672.db2.gz GAXLBYOIXUEWNG-ZDUSSCGKSA-N 1 0 357.414 2.411 20 5 FEBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCc1ccncc1 ZINC000501071573 561589156 /nfs/dbraw/zinc/58/91/56/561589156.db2.gz XWAXMJPTDWYJCY-UHFFFAOYSA-N 1 0 356.382 2.462 20 5 FEBDRO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292354782 552718972 /nfs/dbraw/zinc/71/89/72/552718972.db2.gz PZGFDWVLFJNNDK-DOTOQJQBSA-N 1 0 363.458 2.141 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000292615560 552743210 /nfs/dbraw/zinc/74/32/10/552743210.db2.gz XKVFPTUZBVJCIW-AWEZNQCLSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295135695 552962404 /nfs/dbraw/zinc/96/24/04/552962404.db2.gz YTCXRMODKQXUTR-GFCCVEGCSA-N 1 0 355.460 2.165 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NCC(F)(F)F ZINC000295658490 553040576 /nfs/dbraw/zinc/04/05/76/553040576.db2.gz BLOZVSOSUOIHKR-IUCAKERBSA-N 1 0 362.308 2.022 20 5 FEBDRO CC(C)(CCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[N+](=O)[O-] ZINC000295668092 553042092 /nfs/dbraw/zinc/04/20/92/553042092.db2.gz JMXQXWCSFPNFRF-KRWDZBQOSA-N 1 0 363.458 2.095 20 5 FEBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502261510 561615227 /nfs/dbraw/zinc/61/52/27/561615227.db2.gz YTIXEKXMOMBIFH-KCXAZCMYSA-N 1 0 353.444 2.041 20 5 FEBDRO CCc1cc(NCC[NH+]2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295866679 553069515 /nfs/dbraw/zinc/06/95/15/553069515.db2.gz CHYSWYWULJWQLQ-UHFFFAOYSA-N 1 0 371.441 2.483 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000295998127 553087005 /nfs/dbraw/zinc/08/70/05/553087005.db2.gz PMMSAZCLBFOGCA-UHFFFAOYSA-N 1 0 352.410 2.356 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296482019 553167295 /nfs/dbraw/zinc/16/72/95/553167295.db2.gz YJLMUGLRPPOLCK-XOKHGSTOSA-N 1 0 350.415 2.272 20 5 FEBDRO COC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296539007 553176584 /nfs/dbraw/zinc/17/65/84/553176584.db2.gz BHQDYQMILZTKHA-KRWDZBQOSA-N 1 0 351.403 2.290 20 5 FEBDRO C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296643061 553192225 /nfs/dbraw/zinc/19/22/25/553192225.db2.gz CGOFLBONDSWDNY-DCBWTQNWSA-N 1 0 355.460 2.431 20 5 FEBDRO COc1cc(OCC(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000297290130 553274129 /nfs/dbraw/zinc/27/41/29/553274129.db2.gz XCXCLRINNKFGIU-UHFFFAOYSA-N 1 0 363.414 2.115 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000298921198 553490020 /nfs/dbraw/zinc/49/00/20/553490020.db2.gz NNEVWSIIQHDOBK-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000298955915 553494954 /nfs/dbraw/zinc/49/49/54/553494954.db2.gz DLGFSLCOBIXAJO-CVEARBPZSA-N 1 0 361.398 2.128 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000299200933 553529845 /nfs/dbraw/zinc/52/98/45/553529845.db2.gz GCEBSZWXONAXLL-GOOCMWNKSA-N 1 0 374.441 2.282 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302705 561656008 /nfs/dbraw/zinc/65/60/08/561656008.db2.gz OKLBDQWPCQFKJY-HZPDHXFCSA-N 1 0 373.457 2.053 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299699441 553602169 /nfs/dbraw/zinc/60/21/69/553602169.db2.gz OTJDOBHBLPOWBM-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000299729708 553608881 /nfs/dbraw/zinc/60/88/81/553608881.db2.gz WLSUFUIENZJADC-JSGCOSHPSA-N 1 0 351.403 2.167 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000301056751 553618106 /nfs/dbraw/zinc/61/81/06/553618106.db2.gz BSFWEZQJQLJINU-UHFFFAOYSA-N 1 0 373.388 2.304 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301126946 553623923 /nfs/dbraw/zinc/62/39/23/553623923.db2.gz WWQQZXSJBZCFAE-BETUJISGSA-N 1 0 364.446 2.254 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301149519 553626015 /nfs/dbraw/zinc/62/60/15/553626015.db2.gz LZIUNLXQRBEVLE-HNNXBMFYSA-N 1 0 369.425 2.234 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301215130 553631848 /nfs/dbraw/zinc/63/18/48/553631848.db2.gz XJPGBZYYDACIQV-UHFFFAOYSA-N 1 0 352.391 2.082 20 5 FEBDRO C[C@@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])c(N)n2)CCOCC1)c1ccccc1 ZINC000301256102 553636393 /nfs/dbraw/zinc/63/63/93/553636393.db2.gz FPWYHLWXXDJESC-CYBMUJFWSA-N 1 0 372.429 2.279 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301367344 553645421 /nfs/dbraw/zinc/64/54/21/553645421.db2.gz RKDLJXBFYXWWFD-XIRDDKMYSA-N 1 0 370.453 2.408 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CCS(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000504895422 561663687 /nfs/dbraw/zinc/66/36/87/561663687.db2.gz TYXHYLOHVITMDY-ZDUSSCGKSA-N 1 0 373.475 2.316 20 5 FEBDRO O=C1COc2cc([N+](=O)[O-])c(NCC[N@@H+]3CCc4ccccc4C3)cc2N1 ZINC000301612682 553665585 /nfs/dbraw/zinc/66/55/85/553665585.db2.gz GFJCLYUWAWQAAK-UHFFFAOYSA-N 1 0 368.393 2.396 20 5 FEBDRO CCOC(=O)c1cc(N2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000301638298 553667833 /nfs/dbraw/zinc/66/78/33/553667833.db2.gz XRNGGYXBNYJGLV-UHFFFAOYSA-N 1 0 356.382 2.493 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301860966 553686147 /nfs/dbraw/zinc/68/61/47/553686147.db2.gz DPXZDYTWPAQCPK-AWEZNQCLSA-N 1 0 367.471 2.311 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897471 553689553 /nfs/dbraw/zinc/68/95/53/553689553.db2.gz RHCHNYRQVIETAX-ZDUSSCGKSA-N 1 0 355.460 2.309 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000506363897 561696865 /nfs/dbraw/zinc/69/68/65/561696865.db2.gz PYQQARAIXLIVBI-AWEZNQCLSA-N 1 0 366.487 2.073 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000506363898 561696869 /nfs/dbraw/zinc/69/68/69/561696869.db2.gz PYQQARAIXLIVBI-CQSZACIVSA-N 1 0 366.487 2.073 20 5 FEBDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)NCCCO)CC2)cc1[N+](=O)[O-] ZINC000506910186 561711569 /nfs/dbraw/zinc/71/15/69/561711569.db2.gz SJHNRHNKFRGABM-UHFFFAOYSA-N 1 0 363.458 2.429 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000506994081 561713355 /nfs/dbraw/zinc/71/33/55/561713355.db2.gz DWGSFDNSMFPAQV-JSGCOSHPSA-N 1 0 355.398 2.336 20 5 FEBDRO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388696 561727750 /nfs/dbraw/zinc/72/77/50/561727750.db2.gz LKMVEYZVWRDQRO-ZBFHGGJFSA-N 1 0 369.425 2.352 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000330440855 554122204 /nfs/dbraw/zinc/12/22/04/554122204.db2.gz OVCNLDCCWQYZCH-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330583500 554141611 /nfs/dbraw/zinc/14/16/11/554141611.db2.gz KLUMPXPBFBEXDB-WDEREUQCSA-N 1 0 370.247 2.451 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000331161340 554223808 /nfs/dbraw/zinc/22/38/08/554223808.db2.gz RCFDNVFSZLKSHX-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CC[NH+](C)CC1 ZINC000509006074 561781156 /nfs/dbraw/zinc/78/11/56/561781156.db2.gz ILTRPJPSKMWBFY-CYBMUJFWSA-N 1 0 368.428 2.473 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000331824932 554326118 /nfs/dbraw/zinc/32/61/18/554326118.db2.gz WOOGGEIEKRWIJH-KFWWJZLASA-N 1 0 363.462 2.390 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000332072997 554374299 /nfs/dbraw/zinc/37/42/99/554374299.db2.gz DHHRKIOQFGWAQY-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1C ZINC000332083475 554376490 /nfs/dbraw/zinc/37/64/90/554376490.db2.gz PAXOLRUFMAPGBW-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332251770 554410340 /nfs/dbraw/zinc/41/03/40/554410340.db2.gz BUUJIZBXUYQWFQ-CABCVRRESA-N 1 0 353.444 2.062 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332436581 554445953 /nfs/dbraw/zinc/44/59/53/554445953.db2.gz YMZDLXVLHGPANP-DOMZBBRYSA-N 1 0 353.444 2.323 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332471485 554451831 /nfs/dbraw/zinc/45/18/31/554451831.db2.gz KFMGJXFIMIMQBN-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000510523273 561837681 /nfs/dbraw/zinc/83/76/81/561837681.db2.gz LLPSPFZUMUCXAA-UGSOOPFHSA-N 1 0 359.430 2.216 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000510665372 561842648 /nfs/dbraw/zinc/84/26/48/561842648.db2.gz NRYWVWBBZCZXRP-XJKSGUPXSA-N 1 0 373.450 2.381 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2CCCF)c1 ZINC000510680304 561843196 /nfs/dbraw/zinc/84/31/96/561843196.db2.gz HWMYRZBKKZZRGX-XJKSGUPXSA-N 1 0 373.450 2.381 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000511020419 561854184 /nfs/dbraw/zinc/85/41/84/561854184.db2.gz VIZKSYCJRLZNTK-KCXAZCMYSA-N 1 0 360.414 2.055 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000510978751 561852947 /nfs/dbraw/zinc/85/29/47/561852947.db2.gz NIKVXSIWJFNDRS-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000511240080 561862295 /nfs/dbraw/zinc/86/22/95/561862295.db2.gz JGSAGMYMAFRHTM-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000360324615 554871021 /nfs/dbraw/zinc/87/10/21/554871021.db2.gz WVXKPWWRUZFJEW-GOEBONIOSA-N 1 0 360.414 2.214 20 5 FEBDRO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1N1CCOCC1 ZINC000361680777 554928431 /nfs/dbraw/zinc/92/84/31/554928431.db2.gz GQAYUKGHLKWLDK-KJTGTQQJSA-N 1 0 359.426 2.177 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](N(C)Cc2noc(C)n2)C1 ZINC000361783672 554934693 /nfs/dbraw/zinc/93/46/93/554934693.db2.gz NEXLVBBRXXKMPS-HNNXBMFYSA-N 1 0 361.402 2.143 20 5 FEBDRO CNC(=O)c1ccc(N(C)C2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000361812312 554936230 /nfs/dbraw/zinc/93/62/30/554936230.db2.gz FTBMPGINTXIJJW-UHFFFAOYSA-N 1 0 369.425 2.455 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177393 554954137 /nfs/dbraw/zinc/95/41/37/554954137.db2.gz JVLPVTQMBCZFRR-HIFRSBDPSA-N 1 0 361.377 2.195 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc2N1 ZINC000362926333 554999744 /nfs/dbraw/zinc/99/97/44/554999744.db2.gz QAYCKFUYZSPKDN-DZKIICNBSA-N 1 0 356.426 2.400 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000363020785 555011918 /nfs/dbraw/zinc/01/19/18/555011918.db2.gz UPLUZQLSNMIELB-UONOGXRCSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363043092 555017290 /nfs/dbraw/zinc/01/72/90/555017290.db2.gz VOKVRMCKADQMIP-UONOGXRCSA-N 1 0 357.414 2.220 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363080663 555025566 /nfs/dbraw/zinc/02/55/66/555025566.db2.gz JKKQEGHQPCUKBL-LQDVMPOASA-N 1 0 362.430 2.275 20 5 FEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000364229189 555274622 /nfs/dbraw/zinc/27/46/22/555274622.db2.gz FVCGIYVKVCLCKC-UHFFFAOYSA-N 1 0 363.443 2.336 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322090 555290881 /nfs/dbraw/zinc/29/08/81/555290881.db2.gz DMDYZVXFFHDKCE-KGLIPLIRSA-N 1 0 352.387 2.016 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340107 555294329 /nfs/dbraw/zinc/29/43/29/555294329.db2.gz RKKGNFBGKROVCB-GJZGRUSLSA-N 1 0 352.387 2.146 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000512416026 561904052 /nfs/dbraw/zinc/90/40/52/561904052.db2.gz QGUZKFRBLRPVLF-UHFFFAOYSA-N 1 0 355.394 2.316 20 5 FEBDRO Cc1c([C@@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000364646627 555361589 /nfs/dbraw/zinc/36/15/89/555361589.db2.gz MZQREUNQLKNRND-ZBFHGGJFSA-N 1 0 360.414 2.214 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364871155 555421179 /nfs/dbraw/zinc/42/11/79/555421179.db2.gz QXNNSOGXIDNOTA-MRXNPFEDSA-N 1 0 374.485 2.418 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000512998046 561922033 /nfs/dbraw/zinc/92/20/33/561922033.db2.gz SMUHETPCZZKHAQ-XFXZXTDPSA-N 1 0 358.398 2.109 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000365289828 555533772 /nfs/dbraw/zinc/53/37/72/555533772.db2.gz XJRVUUYXNJGUCQ-KSSFIOAISA-N 1 0 370.409 2.421 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365477967 555586104 /nfs/dbraw/zinc/58/61/04/555586104.db2.gz PGFGYHCJNXYEHM-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000365497942 555591360 /nfs/dbraw/zinc/59/13/60/555591360.db2.gz YRAYTJXQZLFSFU-HNNXBMFYSA-N 1 0 370.409 2.476 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540003 555603028 /nfs/dbraw/zinc/60/30/28/555603028.db2.gz QIYLJPRKCHPRIH-OLMNPRSZSA-N 1 0 361.442 2.143 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000365915420 555700308 /nfs/dbraw/zinc/70/03/08/555700308.db2.gz KRPFHYPKOSFBDZ-UHFFFAOYSA-N 1 0 373.812 2.111 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000367373390 556031590 /nfs/dbraw/zinc/03/15/90/556031590.db2.gz XPLKOSICHSLWHW-UHFFFAOYSA-N 1 0 353.382 2.462 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446416 556051597 /nfs/dbraw/zinc/05/15/97/556051597.db2.gz DVXWYRRUEWYDSM-CVEARBPZSA-N 1 0 364.402 2.236 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000367548541 556079933 /nfs/dbraw/zinc/07/99/33/556079933.db2.gz CQAFNJXFRAAVQL-ABAIWWIYSA-N 1 0 363.443 2.203 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000367648240 556104509 /nfs/dbraw/zinc/10/45/09/556104509.db2.gz GQFAIHUNYZQEGQ-AEFFLSMTSA-N 1 0 355.398 2.124 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000368095510 556217889 /nfs/dbraw/zinc/21/78/89/556217889.db2.gz QOHZEDMINDWQSP-IBGZPJMESA-N 1 0 355.394 2.226 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368110327 556221753 /nfs/dbraw/zinc/22/17/53/556221753.db2.gz STUIVGKEHSZOGU-LBPRGKRZSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000368219827 556251866 /nfs/dbraw/zinc/25/18/66/556251866.db2.gz AWPDQRKPYXRRCN-HNNXBMFYSA-N 1 0 354.410 2.371 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000368261853 556261334 /nfs/dbraw/zinc/26/13/34/556261334.db2.gz DHDTVJQKGKYXFG-XOKHGSTOSA-N 1 0 358.442 2.394 20 5 FEBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368999 556289960 /nfs/dbraw/zinc/28/99/60/556289960.db2.gz GJPYICXUZZMAAF-XJKSGUPXSA-N 1 0 370.409 2.397 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000369079171 556499124 /nfs/dbraw/zinc/49/91/24/556499124.db2.gz RTWLYGVYNYMSLD-JKSUJKDBSA-N 1 0 353.444 2.104 20 5 FEBDRO Cn1ccnc1N1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000369241559 556546342 /nfs/dbraw/zinc/54/63/42/556546342.db2.gz XVCMDNLWYYBHQV-UHFFFAOYSA-N 1 0 357.414 2.046 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000516178306 562034032 /nfs/dbraw/zinc/03/40/32/562034032.db2.gz SLSUBZSJSIMYGL-OAHLLOKOSA-N 1 0 367.471 2.406 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1C ZINC000369533367 556622989 /nfs/dbraw/zinc/62/29/89/556622989.db2.gz SJBBTVFRBSFOQN-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679343 562054160 /nfs/dbraw/zinc/05/41/60/562054160.db2.gz QIJATOFKKHVSTR-DZGCQCFKSA-N 1 0 365.455 2.289 20 5 FEBDRO O=C(NCCCC[NH+]1CCCC1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000370379914 556855751 /nfs/dbraw/zinc/85/57/51/556855751.db2.gz GBKFUDDUGQSNGJ-HNNXBMFYSA-N 1 0 364.450 2.014 20 5 FEBDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000516875678 562062096 /nfs/dbraw/zinc/06/20/96/562062096.db2.gz VJZPXSWKXKLMLU-KRWDZBQOSA-N 1 0 374.441 2.160 20 5 FEBDRO Cc1c(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cccc1[N+](=O)[O-] ZINC000370602939 556919366 /nfs/dbraw/zinc/91/93/66/556919366.db2.gz REYWNIJQSHYGQS-UHFFFAOYSA-N 1 0 358.402 3.010 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c(Cl)c1 ZINC000370605605 556920189 /nfs/dbraw/zinc/92/01/89/556920189.db2.gz BDLSTYZLKZNLSY-BXUZGUMPSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370915898 557013970 /nfs/dbraw/zinc/01/39/70/557013970.db2.gz DYMAQALNMXFMBG-KDOFPFPSSA-N 1 0 371.441 2.450 20 5 FEBDRO CN1Cc2ccccc2[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000371091583 557072124 /nfs/dbraw/zinc/07/21/24/557072124.db2.gz ZYXUUEKBWNSMMQ-QGZVFWFLSA-N 1 0 361.423 2.201 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219101 557110393 /nfs/dbraw/zinc/11/03/93/557110393.db2.gz JVCCXGCNNBQCOD-QAPCUYQASA-N 1 0 360.458 2.001 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnn(C)c1C ZINC000517278586 562084060 /nfs/dbraw/zinc/08/40/60/562084060.db2.gz LCIWKZAEYBPCFR-UHFFFAOYSA-N 1 0 361.402 2.106 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371245952 557118345 /nfs/dbraw/zinc/11/83/45/557118345.db2.gz ZQLRVAFIPRKTNK-SFHVURJKSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000371254144 557120834 /nfs/dbraw/zinc/12/08/34/557120834.db2.gz SEFQTJFNPHXALH-YRWFTTLQSA-N 1 0 351.406 2.384 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415103 562089726 /nfs/dbraw/zinc/08/97/26/562089726.db2.gz NILMYAQQYAOCFN-KBPBESRZSA-N 1 0 355.460 2.277 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713801 557272447 /nfs/dbraw/zinc/27/24/47/557272447.db2.gz DRBOVXQIMPMDSF-ZWKOTPCHSA-N 1 0 363.414 2.479 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OC ZINC000518756476 562117750 /nfs/dbraw/zinc/11/77/50/562117750.db2.gz NKASZXQCBTVXDR-OHUAYANFSA-N 1 0 351.403 2.118 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372158195 557395488 /nfs/dbraw/zinc/39/54/88/557395488.db2.gz UAJZGXPARYXXKK-ZIAGYGMSSA-N 1 0 363.414 2.290 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000518814695 562119284 /nfs/dbraw/zinc/11/92/84/562119284.db2.gz HYCQWNAPMVMBFN-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000518847585 562119720 /nfs/dbraw/zinc/11/97/20/562119720.db2.gz UXQGSXSSLBXIBG-ZDUSSCGKSA-N 1 0 364.446 2.332 20 5 FEBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372353854 557448341 /nfs/dbraw/zinc/44/83/41/557448341.db2.gz BCXCKQPCZKBTBA-QFBILLFUSA-N 1 0 374.485 2.012 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000372387498 557456853 /nfs/dbraw/zinc/45/68/53/557456853.db2.gz QOGRWLWHBDRKSH-UVBSCNOISA-N 1 0 357.414 2.199 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](n4cncn4)C3)o2)c1 ZINC000372476530 557480724 /nfs/dbraw/zinc/48/07/24/557480724.db2.gz YUSHSZMXMBUGOE-HNNXBMFYSA-N 1 0 354.370 2.331 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000519658335 562138881 /nfs/dbraw/zinc/13/88/81/562138881.db2.gz WBQHXKBRFWGPNO-CYBMUJFWSA-N 1 0 369.437 2.221 20 5 FEBDRO CSC1(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC[NH+](C)CC1 ZINC000519731570 562141734 /nfs/dbraw/zinc/14/17/34/562141734.db2.gz ITSRYNJETTZSPU-UHFFFAOYSA-N 1 0 367.471 2.226 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000373039480 557614797 /nfs/dbraw/zinc/61/47/97/557614797.db2.gz GMAMMXHBRAYFGJ-DKSSEZFCSA-N 1 0 372.469 2.242 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373155703 557640382 /nfs/dbraw/zinc/64/03/82/557640382.db2.gz TUBQBWAECPDIDI-VQIMIIECSA-N 1 0 372.425 2.423 20 5 FEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000373206524 557650015 /nfs/dbraw/zinc/65/00/15/557650015.db2.gz NRKMJIQCPAJPAL-UHFFFAOYSA-N 1 0 372.385 2.394 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000373210648 557650596 /nfs/dbraw/zinc/65/05/96/557650596.db2.gz PQYRNLGWTJHPJL-CYBMUJFWSA-N 1 0 358.358 2.052 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281155 557664612 /nfs/dbraw/zinc/66/46/12/557664612.db2.gz ONQFPZHENBSXOJ-MEDUHNTESA-N 1 0 366.805 2.058 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000373320808 557671957 /nfs/dbraw/zinc/67/19/57/557671957.db2.gz WENAVXNLBZHWLY-GOOCMWNKSA-N 1 0 374.441 2.139 20 5 FEBDRO CN1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000520223440 562151109 /nfs/dbraw/zinc/15/11/09/562151109.db2.gz CUICIDJNVALKCB-UHFFFAOYSA-N 1 0 359.361 2.133 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000373723487 557745449 /nfs/dbraw/zinc/74/54/49/557745449.db2.gz JVUAZLZWRHZAED-HOTGVXAUSA-N 1 0 353.444 2.049 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928649 557789431 /nfs/dbraw/zinc/78/94/31/557789431.db2.gz GGLKQMABWHFHNR-YOEHRIQHSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374056097 557814711 /nfs/dbraw/zinc/81/47/11/557814711.db2.gz WVGBKTREZPXABU-ZDUSSCGKSA-N 1 0 358.402 2.230 20 5 FEBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2)CC1 ZINC000374109162 557824808 /nfs/dbraw/zinc/82/48/08/557824808.db2.gz QNMQZSIIUFQQJH-UHFFFAOYSA-N 1 0 361.398 2.272 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c1C ZINC000374296612 557860547 /nfs/dbraw/zinc/86/05/47/557860547.db2.gz QAKXVFQLXWDQPS-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cn1ccnc1[C@H](N[C@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717364 557920794 /nfs/dbraw/zinc/92/07/94/557920794.db2.gz MOBGDQZJPCKXPL-WMLDXEAASA-N 1 0 352.398 2.288 20 5 FEBDRO Nc1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000374884890 557945689 /nfs/dbraw/zinc/94/56/89/557945689.db2.gz XPEJJTQZOSQWJK-ZFWWWQNUSA-N 1 0 358.373 2.192 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015806 557964631 /nfs/dbraw/zinc/96/46/31/557964631.db2.gz DRSFMHBTUPANFD-XHDPSFHLSA-N 1 0 352.822 2.213 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1OC ZINC000375017021 557964998 /nfs/dbraw/zinc/96/49/98/557964998.db2.gz GFHODUGVZIGKEZ-DOMZBBRYSA-N 1 0 363.414 2.168 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000375049952 557969890 /nfs/dbraw/zinc/96/98/90/557969890.db2.gz PGDPITGYSFASTR-ZWKOTPCHSA-N 1 0 355.394 2.479 20 5 FEBDRO COc1cc(CN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121697 557980710 /nfs/dbraw/zinc/98/07/10/557980710.db2.gz UGDNKJIQEGSXOF-LSDHHAIUSA-N 1 0 367.421 2.164 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000521363389 562174923 /nfs/dbraw/zinc/17/49/23/562174923.db2.gz LTLYTOLWRPSLPH-ZDUSSCGKSA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2cncn2C)cc1[N+](=O)[O-] ZINC000375503064 558039026 /nfs/dbraw/zinc/03/90/26/558039026.db2.gz QBQRSDXZUWZSOE-RVZJWNSFSA-N 1 0 357.414 2.307 20 5 FEBDRO Cc1nc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375762155 558078857 /nfs/dbraw/zinc/07/88/57/558078857.db2.gz HNXFWGCBOXFRGD-CYBMUJFWSA-N 1 0 359.386 2.494 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1OC(F)F ZINC000375902041 558096285 /nfs/dbraw/zinc/09/62/85/558096285.db2.gz DZHPFZUHFWQCJI-JSGCOSHPSA-N 1 0 357.357 2.232 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000376296676 558154068 /nfs/dbraw/zinc/15/40/68/558154068.db2.gz RMIZBRYMEQTUOU-HIFRSBDPSA-N 1 0 369.425 2.212 20 5 FEBDRO C[C@@H](NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C[NH+](C)C ZINC000376311214 558156057 /nfs/dbraw/zinc/15/60/57/558156057.db2.gz MJORKZZUKYYZPX-ZIAGYGMSSA-N 1 0 366.466 2.114 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000376468316 558176961 /nfs/dbraw/zinc/17/69/61/558176961.db2.gz JZQASFZADKDXBQ-MAUKXSAKSA-N 1 0 350.415 2.370 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717122 562182740 /nfs/dbraw/zinc/18/27/40/562182740.db2.gz OYXMNULIYYQLGP-NWDGAFQWSA-N 1 0 355.822 2.474 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717121 562182747 /nfs/dbraw/zinc/18/27/47/562182747.db2.gz OYXMNULIYYQLGP-NEPJUHHUSA-N 1 0 355.822 2.474 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000521904565 562186211 /nfs/dbraw/zinc/18/62/11/562186211.db2.gz VTCUPTVOKRFACT-CHWSQXEVSA-N 1 0 351.451 2.368 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C1CC1)C1CC[NH2+]CC1 ZINC000377166482 558280406 /nfs/dbraw/zinc/28/04/06/558280406.db2.gz FHFVPMLMFOAKGD-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCOC(C)(C)C1 ZINC000377696868 558399567 /nfs/dbraw/zinc/39/95/67/558399567.db2.gz GUDFQRLDBZPVDI-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]([C@H]2CCCO2)N1 ZINC000377727191 558406304 /nfs/dbraw/zinc/40/63/04/558406304.db2.gz RGPBLFNLFCHCIM-JGGQBBKZSA-N 1 0 353.806 2.164 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000522596331 562200109 /nfs/dbraw/zinc/20/01/09/562200109.db2.gz BPVGENQFVRBZTE-HNNXBMFYSA-N 1 0 363.393 2.085 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378024519 558465539 /nfs/dbraw/zinc/46/55/39/558465539.db2.gz NRHAWPDRJNEZDX-GFCCVEGCSA-N 1 0 373.862 2.258 20 5 FEBDRO C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000378365114 558539879 /nfs/dbraw/zinc/53/98/79/558539879.db2.gz IBCOJIGFAWJPDG-INIZCTEOSA-N 1 0 374.485 2.154 20 5 FEBDRO Cc1nn(C)c(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000523540935 562214987 /nfs/dbraw/zinc/21/49/87/562214987.db2.gz UFDQGICEKAMYOP-UHFFFAOYSA-N 1 0 357.414 2.379 20 5 FEBDRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397525109 558624228 /nfs/dbraw/zinc/62/42/28/558624228.db2.gz XJVHLCPWGDPVLP-UHFFFAOYSA-N 1 0 369.421 2.352 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c1C ZINC000404754444 558631826 /nfs/dbraw/zinc/63/18/26/558631826.db2.gz NTUPGPBTCGHIJY-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000408371946 558671595 /nfs/dbraw/zinc/67/15/95/558671595.db2.gz GODUSSWQSKTECD-HOCLYGCPSA-N 1 0 367.471 2.262 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000524337672 562227101 /nfs/dbraw/zinc/22/71/01/562227101.db2.gz QSBCKVOELFXLHU-UHFFFAOYSA-N 1 0 364.446 2.283 20 5 FEBDRO Cc1ccc(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524394805 562228028 /nfs/dbraw/zinc/22/80/28/562228028.db2.gz MWTSBSOUFJOPMI-LJQANCHMSA-N 1 0 355.394 2.479 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000411169909 558848079 /nfs/dbraw/zinc/84/80/79/558848079.db2.gz FLWAYTLGROAKNR-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO C[C@](CO)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000411735146 558952933 /nfs/dbraw/zinc/95/29/33/558952933.db2.gz JIGIAUFOOIUKDE-GOSISDBHSA-N 1 0 359.382 2.126 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000412232162 559021585 /nfs/dbraw/zinc/02/15/85/559021585.db2.gz NLVVHPIUEWELSQ-NWDGAFQWSA-N 1 0 353.394 2.226 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000412297718 559025818 /nfs/dbraw/zinc/02/58/18/559025818.db2.gz FDEMHRXJMGKFKE-JCGIZDLHSA-N 1 0 361.442 2.315 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1F ZINC000412343910 559029318 /nfs/dbraw/zinc/02/93/18/559029318.db2.gz WPFUQEVICJDNBF-OLZOCXBDSA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1F ZINC000412371644 559031579 /nfs/dbraw/zinc/03/15/79/559031579.db2.gz SBHNHKGBJASFJW-LBPRGKRZSA-N 1 0 365.405 2.228 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414514689 559169617 /nfs/dbraw/zinc/16/96/17/559169617.db2.gz MDIAFRHRCDUWAM-OBJOEFQTSA-N 1 0 352.387 2.050 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415584652 559252589 /nfs/dbraw/zinc/25/25/89/559252589.db2.gz ABRKCOIFJBVVJN-UHFFFAOYSA-N 1 0 370.409 2.138 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000415704574 559263810 /nfs/dbraw/zinc/26/38/10/559263810.db2.gz SFYUFUDAIGPAPC-VIFPVBQESA-N 1 0 367.150 2.461 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000415705361 559263927 /nfs/dbraw/zinc/26/39/27/559263927.db2.gz TXLKEZDNKSZUKG-VIFPVBQESA-N 1 0 357.208 2.431 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000416034795 559290217 /nfs/dbraw/zinc/29/02/17/559290217.db2.gz UKZMERIHQMQFBV-NSHDSACASA-N 1 0 368.743 2.370 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410094 559310902 /nfs/dbraw/zinc/31/09/02/559310902.db2.gz WKYAWFDGLOXUNI-KGLIPLIRSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416474841 559315999 /nfs/dbraw/zinc/31/59/99/559315999.db2.gz ICNHDEAZQUMRAD-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416508468 559318611 /nfs/dbraw/zinc/31/86/11/559318611.db2.gz OJBVFRIHEDXZJR-UHFFFAOYSA-N 1 0 369.365 2.232 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416667097 559328707 /nfs/dbraw/zinc/32/87/07/559328707.db2.gz XVCPPTONWZMRTD-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000417201595 559352733 /nfs/dbraw/zinc/35/27/33/559352733.db2.gz WRYSVPFDBMMCSW-INIZCTEOSA-N 1 0 370.409 2.290 20 5 FEBDRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307771 559356838 /nfs/dbraw/zinc/35/68/38/559356838.db2.gz HGNSSBISLWQVJY-ZWKOTPCHSA-N 1 0 360.458 2.292 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417387358 559360292 /nfs/dbraw/zinc/36/02/92/559360292.db2.gz NJPGSVISGDCYOU-YPMHNXCESA-N 1 0 356.373 2.241 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417724848 559374140 /nfs/dbraw/zinc/37/41/40/559374140.db2.gz ZJXKBHSANTWZIF-HNNXBMFYSA-N 1 0 361.446 2.241 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417980968 559384815 /nfs/dbraw/zinc/38/48/15/559384815.db2.gz BXFHYRGLNJNDGM-AWEZNQCLSA-N 1 0 352.822 2.327 20 5 FEBDRO C[C@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000417986299 559385342 /nfs/dbraw/zinc/38/53/42/559385342.db2.gz ICMXHKXHMNTIOT-INIZCTEOSA-N 1 0 354.838 2.480 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098179 559389983 /nfs/dbraw/zinc/38/99/83/559389983.db2.gz ZJJLHPYEINAYGF-NOZJJQNGSA-N 1 0 360.336 2.411 20 5 FEBDRO [NH3+][C@@H](CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000418452720 559402181 /nfs/dbraw/zinc/40/21/81/559402181.db2.gz OGIABPGZCPXOLG-INIZCTEOSA-N 1 0 369.425 2.126 20 5 FEBDRO COC[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCC[NH2+]1 ZINC000418635768 559408827 /nfs/dbraw/zinc/40/88/27/559408827.db2.gz LCYMDMFVHSYWHQ-SFHVURJKSA-N 1 0 364.446 2.283 20 5 FEBDRO C[NH2+]C[C@H](C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420217840 559476862 /nfs/dbraw/zinc/47/68/62/559476862.db2.gz XQSAKOGATJNYRI-ZDUSSCGKSA-N 1 0 370.475 2.037 20 5 FEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420303665 559479378 /nfs/dbraw/zinc/47/93/78/559479378.db2.gz IBBIHUPBJZTHTN-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO COc1ccc(NC(=O)CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399775 559485482 /nfs/dbraw/zinc/48/54/82/559485482.db2.gz OHVTXAPJFIMBEJ-CZUORRHYSA-N 1 0 362.430 2.006 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000420887792 559509496 /nfs/dbraw/zinc/50/94/96/559509496.db2.gz FQXJSAOTJOQDBZ-UHFFFAOYSA-N 1 0 362.430 2.372 20 5 FEBDRO Cc1c(C(=O)NC2CCC([NH+](C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000421683127 559549354 /nfs/dbraw/zinc/54/93/54/559549354.db2.gz CQBIHMQOYVTEOQ-UHFFFAOYSA-N 1 0 372.429 2.087 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000421767453 559552706 /nfs/dbraw/zinc/55/27/06/559552706.db2.gz AQDNTXHLGAFBAL-OAHLLOKOSA-N 1 0 361.442 2.442 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422858643 559608736 /nfs/dbraw/zinc/60/87/36/559608736.db2.gz IMTWYKMLTFXFDG-HNNXBMFYSA-N 1 0 357.360 2.427 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000423516221 559630799 /nfs/dbraw/zinc/63/07/99/559630799.db2.gz SZGVVFKFFYAPDF-GFCCVEGCSA-N 1 0 356.382 2.457 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@]1(C)C[NH3+] ZINC000423985682 559649083 /nfs/dbraw/zinc/64/90/83/559649083.db2.gz RVBSSJJAIPTVLK-YMTOWFKASA-N 1 0 356.220 2.414 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000424050080 559652630 /nfs/dbraw/zinc/65/26/30/559652630.db2.gz BCMXNVOACPPFFS-UHFFFAOYSA-N 1 0 365.455 2.191 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429631 559702032 /nfs/dbraw/zinc/70/20/32/559702032.db2.gz AFABFWSCUYGBQZ-VXGBXAGGSA-N 1 0 356.220 2.491 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000425510461 559706868 /nfs/dbraw/zinc/70/68/68/559706868.db2.gz KEHCJTAZCXNFJA-UHFFFAOYSA-N 1 0 364.446 2.155 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000427373664 559754307 /nfs/dbraw/zinc/75/43/07/559754307.db2.gz BRBYUBIFYUBSTP-GDBMZVCRSA-N 1 0 371.441 2.452 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000427575492 559758211 /nfs/dbraw/zinc/75/82/11/559758211.db2.gz UZYWEPNXVRYNGS-PXAZEXFGSA-N 1 0 371.441 2.184 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000428152532 559770543 /nfs/dbraw/zinc/77/05/43/559770543.db2.gz FHAUDEHSKRGAHG-UHFFFAOYSA-N 1 0 371.441 2.267 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428253010 559772449 /nfs/dbraw/zinc/77/24/49/559772449.db2.gz NTIFBFXSSMNQTN-CQSZACIVSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428321446 559773376 /nfs/dbraw/zinc/77/33/76/559773376.db2.gz ARFHUIUOARHQOP-SFHVURJKSA-N 1 0 357.414 2.411 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)n1 ZINC000429009484 559788332 /nfs/dbraw/zinc/78/83/32/559788332.db2.gz ORPNVCSLBFZRRZ-LBPRGKRZSA-N 1 0 373.182 2.016 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@H]1[NH3+] ZINC000429195665 559792827 /nfs/dbraw/zinc/79/28/27/559792827.db2.gz XHBCAPQDIZXPRQ-NOZJJQNGSA-N 1 0 356.220 2.096 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429364064 559796879 /nfs/dbraw/zinc/79/68/79/559796879.db2.gz FHGSQERPORECKQ-GUYCJALGSA-N 1 0 363.414 2.443 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429908096 559808358 /nfs/dbraw/zinc/80/83/58/559808358.db2.gz IAQIDCKTSYBSJO-OAHLLOKOSA-N 1 0 363.458 2.345 20 5 FEBDRO CCOCCOC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064738 559870902 /nfs/dbraw/zinc/87/09/02/559870902.db2.gz CGWFGDQWERKLLT-WMLDXEAASA-N 1 0 352.431 2.321 20 5 FEBDRO Cc1c(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000433456677 559881877 /nfs/dbraw/zinc/88/18/77/559881877.db2.gz NDADHJVULBHPOA-CQSZACIVSA-N 1 0 364.446 2.203 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC000433888730 559889846 /nfs/dbraw/zinc/88/98/46/559889846.db2.gz STXFIDGSXUTWKU-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO COc1ccc(OCC[N@H+](C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000434709853 559907024 /nfs/dbraw/zinc/90/70/24/559907024.db2.gz WCEGBXXXHNIFCW-UHFFFAOYSA-N 1 0 367.446 2.025 20 5 FEBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000434772605 559908938 /nfs/dbraw/zinc/90/89/38/559908938.db2.gz GNHNCFBWYZYWHO-SWLSCSKDSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909752 559912164 /nfs/dbraw/zinc/91/21/64/559912164.db2.gz PXGKAULAPIMZIR-RTBURBONSA-N 1 0 358.442 2.497 20 5 FEBDRO COc1ccc(CSCC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000435245338 559918701 /nfs/dbraw/zinc/91/87/01/559918701.db2.gz BFYKCXWKTHLMII-AWEZNQCLSA-N 1 0 365.455 2.190 20 5 FEBDRO Cn1ccnc1CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC[NH2+]CC2 ZINC000435684914 559928053 /nfs/dbraw/zinc/92/80/53/559928053.db2.gz WYYGIARPGLVHCR-QGZVFWFLSA-N 1 0 355.442 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@H]1CCCSC1 ZINC000439008802 559987142 /nfs/dbraw/zinc/98/71/42/559987142.db2.gz UKHQISLFUYWFQZ-HNNXBMFYSA-N 1 0 367.471 2.422 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000440516644 560013390 /nfs/dbraw/zinc/01/33/90/560013390.db2.gz UHXRVZZALXDYIV-IBGZPJMESA-N 1 0 373.384 2.101 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442609471 560053474 /nfs/dbraw/zinc/05/34/74/560053474.db2.gz YNIBDOQTDUAILH-GFCCVEGCSA-N 1 0 351.403 2.203 20 5 FEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443799106 560093205 /nfs/dbraw/zinc/09/32/05/560093205.db2.gz HPSSMUMWBLZXOZ-OAHLLOKOSA-N 1 0 372.425 2.403 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000444636640 560117317 /nfs/dbraw/zinc/11/73/17/560117317.db2.gz OCHREFHZRQCUOS-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000447078670 560156081 /nfs/dbraw/zinc/15/60/81/560156081.db2.gz UYIBHQIRYAZMST-RKDMXIHUSA-N 1 0 364.442 2.344 20 5 FEBDRO NC(=O)c1cccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447575824 560164776 /nfs/dbraw/zinc/16/47/76/560164776.db2.gz VDKFELUWZZVGMH-JKSUJKDBSA-N 1 0 357.414 2.206 20 5 FEBDRO C[N@@H+]1CC[C@](O)(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447680505 560166775 /nfs/dbraw/zinc/16/67/75/560166775.db2.gz HLLVFKIRNCPQOH-NSHDSACASA-N 1 0 370.278 2.122 20 5 FEBDRO C[NH2+]CCc1ccccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448551029 560189647 /nfs/dbraw/zinc/18/96/47/560189647.db2.gz CERAVZKRJJDGQT-UHFFFAOYSA-N 1 0 368.437 2.319 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000448933041 560207629 /nfs/dbraw/zinc/20/76/29/560207629.db2.gz NMOBSPDADPSFLX-MRXNPFEDSA-N 1 0 369.425 2.481 20 5 FEBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000449392880 560228905 /nfs/dbraw/zinc/22/89/05/560228905.db2.gz LKGFQQLEOGBXCN-QGZVFWFLSA-N 1 0 352.387 2.005 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000449505749 560232311 /nfs/dbraw/zinc/23/23/11/560232311.db2.gz XNNMMAVSUYBTSX-MRXNPFEDSA-N 1 0 366.414 2.394 20 5 FEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449708523 560237693 /nfs/dbraw/zinc/23/76/93/560237693.db2.gz VLPMWSTZSDGZHR-ZDUSSCGKSA-N 1 0 370.247 2.404 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449721319 560238076 /nfs/dbraw/zinc/23/80/76/560238076.db2.gz OJSMQQYJEZWFBX-CPCISQLKSA-N 1 0 369.727 2.411 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449722142 560238190 /nfs/dbraw/zinc/23/81/90/560238190.db2.gz PJWDUAJDVCNEIM-KCJUWKMLSA-N 1 0 351.350 2.471 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449998767 560247713 /nfs/dbraw/zinc/24/77/13/560247713.db2.gz ZAWQVVHTDQAIBW-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO Cc1cccc(N2CC[NH+](CCCNc3ncc([N+](=O)[O-])c(C)n3)CC2)c1 ZINC000450245442 560255509 /nfs/dbraw/zinc/25/55/09/560255509.db2.gz XOUDDBIYHQDYII-UHFFFAOYSA-N 1 0 370.457 2.626 20 5 FEBDRO COc1ccc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000450283439 560256890 /nfs/dbraw/zinc/25/68/90/560256890.db2.gz JSQSCTQYLXWHBZ-UHFFFAOYSA-N 1 0 371.441 3.026 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)C1 ZINC000450336803 560258996 /nfs/dbraw/zinc/25/89/96/560258996.db2.gz BKZVCABAGJLTBO-DZGCQCFKSA-N 1 0 361.446 2.442 20 5 FEBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450594309 560267318 /nfs/dbraw/zinc/26/73/18/560267318.db2.gz KFQAYOVXTLXUPT-KRWDZBQOSA-N 1 0 371.441 2.041 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450627494 560268564 /nfs/dbraw/zinc/26/85/64/560268564.db2.gz UIABTQKNMUDFJL-UHFFFAOYSA-N 1 0 355.398 2.162 20 5 FEBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1=CC[N@H+](C)CC1 ZINC000450755959 560272439 /nfs/dbraw/zinc/27/24/39/560272439.db2.gz JTIVRXATOSJXMZ-ZDUSSCGKSA-N 1 0 355.398 2.161 20 5 FEBDRO CC1(C)OCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451237669 560295037 /nfs/dbraw/zinc/29/50/37/560295037.db2.gz CFQQFUHOMUDNRL-LBPRGKRZSA-N 1 0 372.219 2.453 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409266 560305240 /nfs/dbraw/zinc/30/52/40/560305240.db2.gz AESAEOUJQDVBCI-JFIYKMOQSA-N 1 0 359.426 2.109 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452126230 560352789 /nfs/dbraw/zinc/35/27/89/560352789.db2.gz YQAZWLFPRIQTHT-AWEZNQCLSA-N 1 0 364.446 2.347 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)C1 ZINC000452153201 560353905 /nfs/dbraw/zinc/35/39/05/560353905.db2.gz QUPZVMMORJAGIA-IBGZPJMESA-N 1 0 369.425 2.338 20 5 FEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000453078589 560382879 /nfs/dbraw/zinc/38/28/79/560382879.db2.gz GPOVQBMPKCYLDO-INIZCTEOSA-N 1 0 364.427 2.009 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000453086513 560382956 /nfs/dbraw/zinc/38/29/56/560382956.db2.gz LYAMEMJROUELTA-KRWDZBQOSA-N 1 0 367.471 2.432 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296487 560385450 /nfs/dbraw/zinc/38/54/50/560385450.db2.gz YYONZFJFVJVLOJ-NHYWBVRUSA-N 1 0 355.460 2.235 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000453417743 560386334 /nfs/dbraw/zinc/38/63/34/560386334.db2.gz CIJISGIQASYKGW-DAXOMENPSA-N 1 0 360.414 2.055 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000454929730 560463906 /nfs/dbraw/zinc/46/39/06/560463906.db2.gz QRQIJAYCRBUXET-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456034677 560505173 /nfs/dbraw/zinc/50/51/73/560505173.db2.gz WAJOLBVGVHCOMS-OAHLLOKOSA-N 1 0 369.425 2.283 20 5 FEBDRO COc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000456169968 560509566 /nfs/dbraw/zinc/50/95/66/560509566.db2.gz NEQIWRXMHQQHQW-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000456530656 560523556 /nfs/dbraw/zinc/52/35/56/560523556.db2.gz MZYYQDAIBWPNEX-CYBMUJFWSA-N 1 0 367.471 2.236 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092913 560548296 /nfs/dbraw/zinc/54/82/96/560548296.db2.gz XNUPLNDJKRCZFU-HNNXBMFYSA-N 1 0 363.414 2.326 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457128035 560551561 /nfs/dbraw/zinc/55/15/61/560551561.db2.gz RSTSEQXEZBSZSD-INIZCTEOSA-N 1 0 357.414 2.335 20 5 FEBDRO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000458887518 560654406 /nfs/dbraw/zinc/65/44/06/560654406.db2.gz JHEZPGVTODFWDI-HOCLYGCPSA-N 1 0 364.446 2.408 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000459516458 560691444 /nfs/dbraw/zinc/69/14/44/560691444.db2.gz VGLALSPYKRPYHB-UHFFFAOYSA-N 1 0 351.451 2.250 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000460665472 560748697 /nfs/dbraw/zinc/74/86/97/560748697.db2.gz ZECRLDLMTYJDHR-LBPRGKRZSA-N 1 0 362.434 2.391 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000460926600 560755858 /nfs/dbraw/zinc/75/58/58/560755858.db2.gz QKLJAOLCHAPAPB-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000465134815 560858709 /nfs/dbraw/zinc/85/87/09/560858709.db2.gz XMYWOXGKEKTUHT-AWEZNQCLSA-N 1 0 365.430 2.001 20 5 FEBDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000466739099 560894071 /nfs/dbraw/zinc/89/40/71/560894071.db2.gz GFEQBLVYCLZVNG-UHFFFAOYSA-N 1 0 369.468 2.239 20 5 FEBDRO CC(C)N(CC[NH+](C)C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000468429386 560929755 /nfs/dbraw/zinc/92/97/55/560929755.db2.gz MPEKYPHFTIJGQL-UHFFFAOYSA-N 1 0 359.430 2.336 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@](C)(OC)C1 ZINC000470912743 560993780 /nfs/dbraw/zinc/99/37/80/560993780.db2.gz IWJPRNDKIJHVQJ-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000470968446 560995488 /nfs/dbraw/zinc/99/54/88/560995488.db2.gz QWGNMOXVFLTRSJ-APWZRJJASA-N 1 0 372.469 2.364 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472618542 561031164 /nfs/dbraw/zinc/03/11/64/561031164.db2.gz NWEMLFGFXHTCEO-RYUDHWBXSA-N 1 0 366.393 2.052 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000472979569 561039428 /nfs/dbraw/zinc/03/94/28/561039428.db2.gz RWHQRUBVIHUHDS-UHFFFAOYSA-N 1 0 351.451 2.133 20 5 FEBDRO COc1ccc(CNC(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000474139397 561066560 /nfs/dbraw/zinc/06/65/60/561066560.db2.gz WBFCHEDPTXWLCE-UHFFFAOYSA-N 1 0 362.430 2.420 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000474310556 561070931 /nfs/dbraw/zinc/07/09/31/561070931.db2.gz KUFFZVBNENKWQG-YGRLFVJLSA-N 1 0 350.325 2.077 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000474352866 561071792 /nfs/dbraw/zinc/07/17/92/561071792.db2.gz IPZRJEDHJZQMTF-HIFRSBDPSA-N 1 0 352.387 2.194 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000475445098 561097299 /nfs/dbraw/zinc/09/72/99/561097299.db2.gz AZYKYSIOGYPUGB-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475584441 561100387 /nfs/dbraw/zinc/10/03/87/561100387.db2.gz YUZJHJWDHAKVKN-AWEZNQCLSA-N 1 0 350.419 2.444 20 5 FEBDRO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713744 561102998 /nfs/dbraw/zinc/10/29/98/561102998.db2.gz KEPXMCPNHMCSHP-DZGCQCFKSA-N 1 0 365.430 2.061 20 5 FEBDRO Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000476477396 561120488 /nfs/dbraw/zinc/12/04/88/561120488.db2.gz RXNNPWZNOXJQIN-UHFFFAOYSA-N 1 0 368.397 2.103 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025081 561134595 /nfs/dbraw/zinc/13/45/95/561134595.db2.gz MCIOGUXSFJKMCN-MRXNPFEDSA-N 1 0 371.441 2.313 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000531375558 562443831 /nfs/dbraw/zinc/44/38/31/562443831.db2.gz VLQHQBOVBWSFDJ-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531883192 562459857 /nfs/dbraw/zinc/45/98/57/562459857.db2.gz CKIDXPRXUHRXMN-KRWDZBQOSA-N 1 0 372.425 2.429 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)ccc1=O ZINC000536009366 562571622 /nfs/dbraw/zinc/57/16/22/562571622.db2.gz OSIIDRGEGRUZRK-UHFFFAOYSA-N 1 0 369.381 2.052 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000536826557 562581116 /nfs/dbraw/zinc/58/11/16/562581116.db2.gz LXHGDNQTTSHYGI-CYBMUJFWSA-N 1 0 355.460 2.225 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000541907839 562623023 /nfs/dbraw/zinc/62/30/23/562623023.db2.gz NZUWENWMOYMVTL-AWEZNQCLSA-N 1 0 363.805 2.490 20 5 FEBDRO COCCC[NH+]1CCC(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000542045905 562626025 /nfs/dbraw/zinc/62/60/25/562626025.db2.gz HDSUSKQXVIFYQK-UHFFFAOYSA-N 1 0 351.403 2.294 20 5 FEBDRO COc1ccc(NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000542072577 562626501 /nfs/dbraw/zinc/62/65/01/562626501.db2.gz JFZPWYGJNIWVML-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1cc(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)ccc1[N+](=O)[O-] ZINC000601808074 567852190 /nfs/dbraw/zinc/85/21/90/567852190.db2.gz UQEXMHLCPKHSFB-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H]1C ZINC000569000840 568266106 /nfs/dbraw/zinc/26/61/06/568266106.db2.gz NUQSXOBCDODRLM-ZIAGYGMSSA-N 1 0 366.437 2.489 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000541981281 568277777 /nfs/dbraw/zinc/27/77/77/568277777.db2.gz PZEUVFNPFBRVMB-INIZCTEOSA-N 1 0 359.382 2.174 20 5 FEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000569318462 568374950 /nfs/dbraw/zinc/37/49/50/568374950.db2.gz UBQQOBLYFBIRKW-UHFFFAOYSA-N 1 0 362.386 2.135 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@H]2C1 ZINC000569514445 568404544 /nfs/dbraw/zinc/40/45/44/568404544.db2.gz DCDXLQKWSCOWQS-BBRMVZONSA-N 1 0 364.421 2.101 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000570913998 568640535 /nfs/dbraw/zinc/64/05/35/568640535.db2.gz NENKCZYLMKRQQQ-GOEBONIOSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000810079988 674530138 /nfs/dbraw/zinc/53/01/38/674530138.db2.gz TZDLBKUOQKSPCL-UHFFFAOYSA-N 1 0 354.787 2.438 20 5 FEBDRO COc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810182565 674535774 /nfs/dbraw/zinc/53/57/74/674535774.db2.gz WHVDWCKSIBAWFE-KRWDZBQOSA-N 1 0 353.394 2.432 20 5 FEBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820710930 606705937 /nfs/dbraw/zinc/70/59/37/606705937.db2.gz SZETYOWSUJEZDB-NSHDSACASA-N 1 0 360.422 2.092 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1=CC[N@H+](C)CC1 ZINC000561359638 674660074 /nfs/dbraw/zinc/66/00/74/674660074.db2.gz BMPIMCWADSELJS-LLVKDONJSA-N 1 0 353.806 2.394 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812331619 674667450 /nfs/dbraw/zinc/66/74/50/674667450.db2.gz ROKFMHGLAOSUIA-NEPJUHHUSA-N 1 0 355.341 2.220 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000561552442 674678779 /nfs/dbraw/zinc/67/87/79/674678779.db2.gz QPYLMNSDTMWGDE-CJNGLKHVSA-N 1 0 367.471 2.405 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815012988 674895817 /nfs/dbraw/zinc/89/58/17/674895817.db2.gz PHNQDRABMPWGMN-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000564860688 675069560 /nfs/dbraw/zinc/06/95/60/675069560.db2.gz TZCFWWRRMQXSJC-LESCRADOSA-N 1 0 352.431 2.375 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCCc2ccc(F)c(F)c2)c1 ZINC000564873964 675071239 /nfs/dbraw/zinc/07/12/39/675071239.db2.gz WDUYUENOOOACLC-AWEZNQCLSA-N 1 0 354.357 2.043 20 5 FEBDRO C[N@H+](CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570487397 670721380 /nfs/dbraw/zinc/72/13/80/670721380.db2.gz AGPLVSOEXWNIJU-UHFFFAOYSA-N 1 0 350.156 2.014 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571154355 670824959 /nfs/dbraw/zinc/82/49/59/670824959.db2.gz KEPPLJKBTVZKCD-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO CCOc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000572511266 671011272 /nfs/dbraw/zinc/01/12/72/671011272.db2.gz HZUXVZUORMLELH-DGCLKSJQSA-N 1 0 351.403 2.344 20 5 FEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000573834080 671170369 /nfs/dbraw/zinc/17/03/69/671170369.db2.gz LOOXSUKKAOZZQN-HLLBOEOZSA-N 1 0 351.447 2.045 20 5 FEBDRO CN(CCC[NH3+])C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000574426116 671238841 /nfs/dbraw/zinc/23/88/41/671238841.db2.gz LYMNUOFBRMPWDT-UHFFFAOYSA-N 1 0 363.340 2.016 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608811996 675904248 /nfs/dbraw/zinc/90/42/48/675904248.db2.gz AENIQRGEWVSIGG-ZIAGYGMSSA-N 1 0 351.451 2.011 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608811994 675904301 /nfs/dbraw/zinc/90/43/01/675904301.db2.gz AENIQRGEWVSIGG-KBPBESRZSA-N 1 0 351.451 2.011 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609557356 675925876 /nfs/dbraw/zinc/92/58/76/675925876.db2.gz YFTSVAFYOBWEJJ-AWEZNQCLSA-N 1 0 350.419 2.146 20 5 FEBDRO NS(=O)(=O)c1c(NCCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000609517102 675924103 /nfs/dbraw/zinc/92/41/03/675924103.db2.gz OHQNJGICALFYPS-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578759941 671687922 /nfs/dbraw/zinc/68/79/22/671687922.db2.gz PZYRWPDDAIQMCB-RLCCDNCMSA-N 1 0 368.821 2.171 20 5 FEBDRO CSc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000580190866 671789138 /nfs/dbraw/zinc/78/91/38/671789138.db2.gz WLRIZTMUIMDTDT-CJNGLKHVSA-N 1 0 365.455 2.285 20 5 FEBDRO COc1ccc(F)cc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580306354 671796559 /nfs/dbraw/zinc/79/65/59/671796559.db2.gz MHSREXDRVGWWLR-OAHLLOKOSA-N 1 0 350.346 2.272 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCc2ccc(O)cc2)cc1 ZINC000580434756 671807233 /nfs/dbraw/zinc/80/72/33/671807233.db2.gz FBFPZCLKJRHUHH-UHFFFAOYSA-N 1 0 364.423 2.297 20 5 FEBDRO Cn1cc(C[NH2+]CC[C@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000581123971 671865990 /nfs/dbraw/zinc/86/59/90/671865990.db2.gz QSDMSFYVOCNXHW-ZDUSSCGKSA-N 1 0 358.320 2.398 20 5 FEBDRO CN(C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000581186701 671871466 /nfs/dbraw/zinc/87/14/66/671871466.db2.gz XBQRRWWZWFFSFK-MRXNPFEDSA-N 1 0 371.503 2.325 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cs1 ZINC000119706426 671906350 /nfs/dbraw/zinc/90/63/50/671906350.db2.gz YCWRKCISNBTJGL-GFCCVEGCSA-N 1 0 359.473 2.295 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120062757 671915617 /nfs/dbraw/zinc/91/56/17/671915617.db2.gz QGRIMRYTFAQVBW-GFCCVEGCSA-N 1 0 361.489 2.303 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000130016248 672069312 /nfs/dbraw/zinc/06/93/12/672069312.db2.gz AFPDCYBIWNHPEH-UHFFFAOYSA-N 1 0 353.394 2.349 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000130462288 672075347 /nfs/dbraw/zinc/07/53/47/672075347.db2.gz BVFTWMBHHUUIEB-FRRDWIJNSA-N 1 0 373.450 2.379 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000584082544 672153779 /nfs/dbraw/zinc/15/37/79/672153779.db2.gz XQSHMIDUGZJFJO-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000584783247 672215640 /nfs/dbraw/zinc/21/56/40/672215640.db2.gz CQCRTWBMWFYNSI-GFCCVEGCSA-N 1 0 365.821 2.057 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000587983938 672443678 /nfs/dbraw/zinc/44/36/78/672443678.db2.gz UEHASCWCYAWNTP-FZMZJTMJSA-N 1 0 350.419 2.251 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000588017272 672445748 /nfs/dbraw/zinc/44/57/48/672445748.db2.gz ICUIOAMULLWYDO-UHFFFAOYSA-N 1 0 350.419 2.619 20 5 FEBDRO C[C@@H](O)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589254469 672517584 /nfs/dbraw/zinc/51/75/84/672517584.db2.gz FPCDYVMVRONVNE-MRVPVSSYSA-N 1 0 350.156 2.012 20 5 FEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000589839008 672543008 /nfs/dbraw/zinc/54/30/08/672543008.db2.gz LGPNAHMGKQMLLG-GFCCVEGCSA-N 1 0 353.369 2.360 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000589930713 672548397 /nfs/dbraw/zinc/54/83/97/672548397.db2.gz JPQDMLOOSHVBQT-CYBMUJFWSA-N 1 0 367.471 2.398 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590043744 672555457 /nfs/dbraw/zinc/55/54/57/672555457.db2.gz FLFNMYFYBYJWPG-SWLSCSKDSA-N 1 0 358.423 2.494 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000590045724 672555981 /nfs/dbraw/zinc/55/59/81/672555981.db2.gz TYWBXCJSCOJPSQ-FZMZJTMJSA-N 1 0 368.231 2.062 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565746 672590412 /nfs/dbraw/zinc/59/04/12/672590412.db2.gz QERHDCXAAKDZRW-HOTGVXAUSA-N 1 0 367.833 2.112 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000591685491 672701700 /nfs/dbraw/zinc/70/17/00/672701700.db2.gz BWUZDVHMSUJKPU-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO COCCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131282 672762396 /nfs/dbraw/zinc/76/23/96/672762396.db2.gz WGOGYCDSVSBWLD-QAQDUYKDSA-N 1 0 352.431 2.363 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000592387358 672796124 /nfs/dbraw/zinc/79/61/24/672796124.db2.gz QETSGWSATKVQRA-UHFFFAOYSA-N 1 0 361.423 2.239 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390579 672796860 /nfs/dbraw/zinc/79/68/60/672796860.db2.gz KPULIPKEFAKRAF-GJZGRUSLSA-N 1 0 367.471 2.304 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000246298739 672834644 /nfs/dbraw/zinc/83/46/44/672834644.db2.gz BVFTWMBHHUUIEB-XQQFMLRXSA-N 1 0 373.450 2.379 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000593070350 672871717 /nfs/dbraw/zinc/87/17/17/672871717.db2.gz WQIHGHPPKJAFJK-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO C[NH+](C)C[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593699790 672980726 /nfs/dbraw/zinc/98/07/26/672980726.db2.gz AUHVBTIGUAKEFD-NSHDSACASA-N 1 0 351.794 2.047 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C[NH3+])cc1F ZINC000593730748 672984455 /nfs/dbraw/zinc/98/44/55/672984455.db2.gz ZNUXIKQQVHYTMX-UHFFFAOYSA-N 1 0 367.402 2.234 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000594198720 673043181 /nfs/dbraw/zinc/04/31/81/673043181.db2.gz VIZVKSPSZAUUCI-ZIAGYGMSSA-N 1 0 351.378 2.489 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000725825297 673092970 /nfs/dbraw/zinc/09/29/70/673092970.db2.gz WVRPYTBXBHDUNH-VXGBXAGGSA-N 1 0 359.835 2.153 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@](C)(CO)OC)o2)c([N+](=O)[O-])c1 ZINC000594508566 673094489 /nfs/dbraw/zinc/09/44/89/673094489.db2.gz DCLKXWPABBBORB-QGZVFWFLSA-N 1 0 350.371 2.350 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594792485 673144655 /nfs/dbraw/zinc/14/46/55/673144655.db2.gz RIEWCMUPTNOLEH-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793967 673145409 /nfs/dbraw/zinc/14/54/09/673145409.db2.gz XQAMCYMDARALNL-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959477 673180986 /nfs/dbraw/zinc/18/09/86/673180986.db2.gz DKPJEQGGWKLWEZ-TXNHMLTKSA-N 1 0 354.428 2.145 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595118484 673196930 /nfs/dbraw/zinc/19/69/30/673196930.db2.gz QUZJBMZNUOSBQI-TZMCWYRMSA-N 1 0 371.459 2.132 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033531 673203294 /nfs/dbraw/zinc/20/32/94/673203294.db2.gz YCSPVVZGRVYNGK-BDJLRTHQSA-N 1 0 353.806 2.370 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595979981 673345471 /nfs/dbraw/zinc/34/54/71/673345471.db2.gz BSINSMQDMLMDQZ-CYBMUJFWSA-N 1 0 355.460 2.326 20 5 FEBDRO [NH3+]CCC1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000596013247 673348431 /nfs/dbraw/zinc/34/84/31/673348431.db2.gz GEWGANDNQNFLGG-UHFFFAOYSA-N 1 0 352.410 2.136 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596055147 673354368 /nfs/dbraw/zinc/35/43/68/673354368.db2.gz FRJPVGMALFYGFD-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO C[NH+]1CCN(CCCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596063846 673354960 /nfs/dbraw/zinc/35/49/60/673354960.db2.gz YPHJZDNYUGSRRD-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cccc2c1CC[NH2+]C2 ZINC000596070381 673355811 /nfs/dbraw/zinc/35/58/11/673355811.db2.gz DLGPXMJYODZFNQ-UHFFFAOYSA-N 1 0 364.199 2.213 20 5 FEBDRO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596179827 673365816 /nfs/dbraw/zinc/36/58/16/673365816.db2.gz UFIBDBSZDGECOS-CQSZACIVSA-N 1 0 350.419 2.229 20 5 FEBDRO CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596454968 673386243 /nfs/dbraw/zinc/38/62/43/673386243.db2.gz XGUFXPIHHFFDHD-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000596566755 673394083 /nfs/dbraw/zinc/39/40/83/673394083.db2.gz KIJBPBSVWIXQRG-GFCCVEGCSA-N 1 0 373.251 2.299 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000537718095 673402726 /nfs/dbraw/zinc/40/27/26/673402726.db2.gz GBAHJEZNGJRAOT-GFCCVEGCSA-N 1 0 355.460 2.139 20 5 FEBDRO CC1(C)CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537968490 673415540 /nfs/dbraw/zinc/41/55/40/673415540.db2.gz JFASPOKRQHSQAB-OAHLLOKOSA-N 1 0 355.460 2.432 20 5 FEBDRO Nc1c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597104603 673448734 /nfs/dbraw/zinc/44/87/34/673448734.db2.gz RYRYIWYRZQXDCF-NSHDSACASA-N 1 0 351.794 2.308 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000734552830 673466560 /nfs/dbraw/zinc/46/65/60/673466560.db2.gz SMUSXVIPQFZEDN-LBPRGKRZSA-N 1 0 350.375 2.225 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000539920403 673513310 /nfs/dbraw/zinc/51/33/10/673513310.db2.gz LLDBYFBTPKOULF-OAHLLOKOSA-N 1 0 351.447 2.343 20 5 FEBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000597878797 673515418 /nfs/dbraw/zinc/51/54/18/673515418.db2.gz VDXBZBDIVAZXIL-UHFFFAOYSA-N 1 0 353.444 2.277 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992881 673527546 /nfs/dbraw/zinc/52/75/46/673527546.db2.gz OQVABESEYBGRIV-GFCCVEGCSA-N 1 0 355.460 2.403 20 5 FEBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000598535883 673579930 /nfs/dbraw/zinc/57/99/30/673579930.db2.gz KQCLOLBUKXKLHD-LBPRGKRZSA-N 1 0 353.444 2.372 20 5 FEBDRO CC(C)Oc1nc(N2CCC([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599102927 673633453 /nfs/dbraw/zinc/63/34/53/673633453.db2.gz GXHHQQXFXYMHLC-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000543588374 673655101 /nfs/dbraw/zinc/65/51/01/673655101.db2.gz PHRWYKCOCFBSMM-BDJLRTHQSA-N 1 0 355.435 2.391 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000543624006 673657359 /nfs/dbraw/zinc/65/73/59/673657359.db2.gz ILMGQUNDFIAUBB-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000599389867 673667985 /nfs/dbraw/zinc/66/79/85/673667985.db2.gz DXJFVTMUGWCASB-OAHLLOKOSA-N 1 0 353.444 2.280 20 5 FEBDRO CN(CCOCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599605188 673696609 /nfs/dbraw/zinc/69/66/09/673696609.db2.gz VGXIZJDYWIGMAX-UHFFFAOYSA-N 1 0 350.297 2.053 20 5 FEBDRO Cc1c(Br)c(N2CC[C@H](OCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000544396102 673710320 /nfs/dbraw/zinc/71/03/20/673710320.db2.gz VZVBCAVOTWMHAN-NSHDSACASA-N 1 0 373.251 2.218 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000544659434 673724088 /nfs/dbraw/zinc/72/40/88/673724088.db2.gz QOQJNXAAOZITGO-KBPBESRZSA-N 1 0 355.460 2.363 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000599965981 673730765 /nfs/dbraw/zinc/73/07/65/673730765.db2.gz JDUAJIIETCQYDS-BXKDBHETSA-N 1 0 354.204 2.133 20 5 FEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000545473772 673771589 /nfs/dbraw/zinc/77/15/89/673771589.db2.gz WMYHJMJWBCRFFX-MRXNPFEDSA-N 1 0 363.801 2.313 20 5 FEBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C1=O ZINC000601175763 673831040 /nfs/dbraw/zinc/83/10/40/673831040.db2.gz BPXGEQKWUJLQNW-HNNXBMFYSA-N 1 0 352.822 2.355 20 5 FEBDRO CCC1([NH+](C)C)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000601225971 673834050 /nfs/dbraw/zinc/83/40/50/673834050.db2.gz CEPLPBTUWLLLLX-UHFFFAOYSA-N 1 0 355.460 2.309 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601358757 673847895 /nfs/dbraw/zinc/84/78/95/673847895.db2.gz OGBFEVMSGJRPER-LBPRGKRZSA-N 1 0 361.489 2.317 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000746670435 673889148 /nfs/dbraw/zinc/88/91/48/673889148.db2.gz GXBFJOWCVTXZCT-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1Br ZINC000601969465 673900630 /nfs/dbraw/zinc/90/06/30/673900630.db2.gz DPEMVXOZRSMJRV-ZDUSSCGKSA-N 1 0 369.219 2.013 20 5 FEBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000602532829 673907337 /nfs/dbraw/zinc/90/73/37/673907337.db2.gz MHKZHHYSFMTTQO-GFCCVEGCSA-N 1 0 354.204 2.372 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602582610 673908353 /nfs/dbraw/zinc/90/83/53/673908353.db2.gz OLRDMDOVVKYSSV-CQSZACIVSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590181 673908379 /nfs/dbraw/zinc/90/83/79/673908379.db2.gz ISWDPJVOFGOCBN-AOOOYVTPSA-N 1 0 359.304 2.112 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000602694353 673909556 /nfs/dbraw/zinc/90/95/56/673909556.db2.gz LPFIQGKDLNYFMO-LLVKDONJSA-N 1 0 356.308 2.095 20 5 FEBDRO COc1cc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000602891738 673913157 /nfs/dbraw/zinc/91/31/57/673913157.db2.gz OKWJRODJJBOHEF-WBVHZDCISA-N 1 0 350.415 2.403 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1 ZINC000603231373 673919028 /nfs/dbraw/zinc/91/90/28/673919028.db2.gz OANCUQGRYSCDJQ-SNVBAGLBSA-N 1 0 355.320 2.405 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603383466 673928109 /nfs/dbraw/zinc/92/81/09/673928109.db2.gz OGSZEOWJOXYJJF-UHFFFAOYSA-N 1 0 353.444 2.010 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000615189555 676206672 /nfs/dbraw/zinc/20/66/72/676206672.db2.gz CIFUWBRQBRMWII-SNVBAGLBSA-N 1 0 368.821 2.033 20 5 FEBDRO Cc1c(Br)c(N[C@@H](C)CN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000566646387 675231346 /nfs/dbraw/zinc/23/13/46/675231346.db2.gz RXTSJOWMYIUYCF-JTQLQIEISA-N 1 0 372.267 2.109 20 5 FEBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCS(=O)(=O)CC1 ZINC000567037059 675261992 /nfs/dbraw/zinc/26/19/92/675261992.db2.gz RPJKJQMEMUQZKP-GFCCVEGCSA-N 1 0 365.455 2.422 20 5 FEBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567150627 675271045 /nfs/dbraw/zinc/27/10/45/675271045.db2.gz JZTABWLVDZNZRW-BDAKNGLRSA-N 1 0 364.183 2.448 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCN(CC(F)(F)F)CC2)c1 ZINC000819246366 675273849 /nfs/dbraw/zinc/27/38/49/675273849.db2.gz KKSFHIJDAVHYTQ-OAHLLOKOSA-N 1 0 361.364 2.492 20 5 FEBDRO CCCCN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000567691435 675313027 /nfs/dbraw/zinc/31/30/27/675313027.db2.gz XEYSRGCXIFMVIO-UHFFFAOYSA-N 1 0 369.487 2.223 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000822768647 675505353 /nfs/dbraw/zinc/50/53/53/675505353.db2.gz XGTMUSFFDFPPOM-JTQLQIEISA-N 1 0 366.805 2.173 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000823253735 675539751 /nfs/dbraw/zinc/53/97/51/675539751.db2.gz NRDKMRCCGZIRAL-LBPRGKRZSA-N 1 0 368.821 2.311 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCCC[NH+](C)C ZINC000823302449 675543424 /nfs/dbraw/zinc/54/34/24/675543424.db2.gz YVLKBXWGWCATJG-UHFFFAOYSA-N 1 0 356.810 2.278 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823311052 675544004 /nfs/dbraw/zinc/54/40/04/675544004.db2.gz XHNJYJCNHOZIHX-JTQLQIEISA-N 1 0 354.382 2.152 20 5 FEBDRO CSC1(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000823938756 675577512 /nfs/dbraw/zinc/57/75/12/675577512.db2.gz NFNBNTOHXUARRY-UHFFFAOYSA-N 1 0 353.448 2.126 20 5 FEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1(C)C ZINC000824087429 675583268 /nfs/dbraw/zinc/58/32/68/675583268.db2.gz RZWMWAZUERFADX-WDEREUQCSA-N 1 0 371.235 2.211 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825709528 675664894 /nfs/dbraw/zinc/66/48/94/675664894.db2.gz WYVPJGDMDNNRJF-UHFFFAOYSA-N 1 0 371.235 2.309 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000828498834 675824251 /nfs/dbraw/zinc/82/42/51/675824251.db2.gz FYBAOGOFOJCDFN-UHFFFAOYSA-N 1 0 350.394 2.182 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000829352325 675876854 /nfs/dbraw/zinc/87/68/54/675876854.db2.gz FREGXVUQDOVZLP-ZDUSSCGKSA-N 1 0 352.822 2.039 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000616091202 676239529 /nfs/dbraw/zinc/23/95/29/676239529.db2.gz RAAGDQOEWYJKJI-TZMCWYRMSA-N 1 0 352.387 2.051 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619496766 676381604 /nfs/dbraw/zinc/38/16/04/676381604.db2.gz LTDQALGOAYPKSM-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000619496668 676381607 /nfs/dbraw/zinc/38/16/07/676381607.db2.gz AJLDXEIUXSDZMI-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839590753 680764184 /nfs/dbraw/zinc/76/41/84/680764184.db2.gz CZWDAJRUTICMAM-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CS[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000832132254 680099575 /nfs/dbraw/zinc/09/95/75/680099575.db2.gz TXWXFWVEKFQUMX-GJZGRUSLSA-N 1 0 353.419 2.386 20 5 FEBDRO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983649141 680317539 /nfs/dbraw/zinc/31/75/39/680317539.db2.gz OILPKPCFJUKOOW-RAEVTNRLSA-N 1 0 351.834 2.298 20 5 FEBDRO C[N@@H+](Cc1ccc(Cl)nc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964755 680394565 /nfs/dbraw/zinc/39/45/65/680394565.db2.gz XYVYHXSETPSNAI-HUUCEWRRSA-N 1 0 366.849 2.071 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367919 680458964 /nfs/dbraw/zinc/45/89/64/680458964.db2.gz IRKUWJZEVQMYCV-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO O=C(NCC1CC[NH+](CC2CCC(F)(F)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400694 680460540 /nfs/dbraw/zinc/46/05/40/680460540.db2.gz VUOOMMWQODNHOH-HUUCEWRRSA-N 1 0 359.417 2.305 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc([N+](=O)[O-])c1F ZINC000842484443 680950417 /nfs/dbraw/zinc/95/04/17/680950417.db2.gz JDLNXXQAVKALTE-GFCCVEGCSA-N 1 0 365.386 2.121 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842689530 680959661 /nfs/dbraw/zinc/95/96/61/680959661.db2.gz ILJNTZPAAWAQHA-ZYHUDNBSSA-N 1 0 361.851 2.447 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842700162 680960338 /nfs/dbraw/zinc/96/03/38/680960338.db2.gz VPBFXJFNZGRURS-GHMZBOCLSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000842850640 680971285 /nfs/dbraw/zinc/97/12/85/680971285.db2.gz WDXLKHLKQUXHEC-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000843066481 680985511 /nfs/dbraw/zinc/98/55/11/680985511.db2.gz RJIGULNEBQQZKW-MLGOLLRUSA-N 1 0 366.801 2.311 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000843758684 681016918 /nfs/dbraw/zinc/01/69/18/681016918.db2.gz UTYDJOQECNRYGE-CYBMUJFWSA-N 1 0 353.394 2.129 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843785077 681018071 /nfs/dbraw/zinc/01/80/71/681018071.db2.gz DEXCAPVNYFAFAC-UHFFFAOYSA-N 1 0 350.375 2.368 20 5 FEBDRO CC[NH+](CC)CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000772130679 681087279 /nfs/dbraw/zinc/08/72/79/681087279.db2.gz ATZYGBOJUDVLGQ-GFCCVEGCSA-N 1 0 369.443 2.146 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC2CC[NH2+]CC2)c1 ZINC000846235179 681208085 /nfs/dbraw/zinc/20/80/85/681208085.db2.gz UQHGODICUOUKDB-UHFFFAOYSA-N 1 0 361.851 2.225 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000846292536 681221624 /nfs/dbraw/zinc/22/16/24/681221624.db2.gz WHXZLJGZYMGDTA-UHFFFAOYSA-N 1 0 373.251 2.460 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000775812947 681338023 /nfs/dbraw/zinc/33/80/23/681338023.db2.gz GVWBGYXVKUKUOO-INWMFGNUSA-N 1 0 351.403 2.085 20 5 FEBDRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776809535 681437969 /nfs/dbraw/zinc/43/79/69/681437969.db2.gz FBKHRINLJLJLST-MLGOLLRUSA-N 1 0 351.403 2.085 20 5 FEBDRO C[C@@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Br)c1 ZINC000934497339 681580050 /nfs/dbraw/zinc/58/00/50/681580050.db2.gz UNIPNBILUNOCSJ-AWEZNQCLSA-N 1 0 369.219 2.051 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580004 681581887 /nfs/dbraw/zinc/58/18/87/681581887.db2.gz FPLWNDAJHZXCTI-LLVKDONJSA-N 1 0 355.341 2.167 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000848601509 681588499 /nfs/dbraw/zinc/58/84/99/681588499.db2.gz ZQDKIXGJXMWMFQ-UHFFFAOYSA-N 1 0 350.394 2.266 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000778410265 681609221 /nfs/dbraw/zinc/60/92/21/681609221.db2.gz LLNOGCRNAPTKBN-NSHDSACASA-N 1 0 350.375 2.305 20 5 FEBDRO CN(C)[S@](C)(=O)=NCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000934758857 681625023 /nfs/dbraw/zinc/62/50/23/681625023.db2.gz HBZSKZACFSMVQA-RUZDIDTESA-N 1 0 368.503 2.424 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000935488811 681761685 /nfs/dbraw/zinc/76/16/85/681761685.db2.gz QRFBYDFWHVNBDI-UHFFFAOYSA-N 1 0 351.451 2.213 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000780601494 681848769 /nfs/dbraw/zinc/84/87/69/681848769.db2.gz WVZUGEXHIVFDHZ-NSHDSACASA-N 1 0 350.444 2.486 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781627185 681954146 /nfs/dbraw/zinc/95/41/46/681954146.db2.gz PWVIGEJDISNUJV-GFCCVEGCSA-N 1 0 352.391 2.282 20 5 FEBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782026258 681999538 /nfs/dbraw/zinc/99/95/38/681999538.db2.gz REQIZGHJTCAMOF-LBPRGKRZSA-N 1 0 350.375 2.036 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000783562605 682154051 /nfs/dbraw/zinc/15/40/51/682154051.db2.gz KPQQVPJFHOJTOJ-OAHLLOKOSA-N 1 0 352.866 2.460 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000917597546 685533190 /nfs/dbraw/zinc/53/31/90/685533190.db2.gz MSIADFIFEXYRBB-ZDUSSCGKSA-N 1 0 352.460 2.052 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852501429 682291405 /nfs/dbraw/zinc/29/14/05/682291405.db2.gz MGQRLNVMYXLPAI-QGZVFWFLSA-N 1 0 351.378 2.299 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000857008192 682843003 /nfs/dbraw/zinc/84/30/03/682843003.db2.gz DDGRYDPTGRVXCZ-XLKFXECMSA-N 1 0 372.194 2.450 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000857341970 682881188 /nfs/dbraw/zinc/88/11/88/682881188.db2.gz LMLWKBXHKLIGTG-NSHDSACASA-N 1 0 356.220 2.427 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000926150634 683083257 /nfs/dbraw/zinc/08/32/57/683083257.db2.gz MUHNHUIMTCXUEU-RHSMWYFYSA-N 1 0 368.455 2.163 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451747 683454146 /nfs/dbraw/zinc/45/41/46/683454146.db2.gz GNQUZPOTAVYHEN-YPMHNXCESA-N 1 0 353.444 2.045 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000929472570 683601090 /nfs/dbraw/zinc/60/10/90/683601090.db2.gz FJFONFHEKVHEJQ-ZDUSSCGKSA-N 1 0 363.443 2.115 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863033905 683668606 /nfs/dbraw/zinc/66/86/06/683668606.db2.gz YPXFPABFKKGSJW-GFCCVEGCSA-N 1 0 361.427 2.346 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863035065 683668847 /nfs/dbraw/zinc/66/88/47/683668847.db2.gz RMQZTHWCJVAIDU-ZDUSSCGKSA-N 1 0 351.378 2.246 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863035005 683669082 /nfs/dbraw/zinc/66/90/82/683669082.db2.gz RMQZTHWCJVAIDU-CYBMUJFWSA-N 1 0 351.378 2.246 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000866547101 684117960 /nfs/dbraw/zinc/11/79/60/684117960.db2.gz SJXGCBFIMBZYHE-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000867167561 684220478 /nfs/dbraw/zinc/22/04/78/684220478.db2.gz GQVFOFZPLBVLNO-UHFFFAOYSA-N 1 0 367.221 2.018 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923444075 684281917 /nfs/dbraw/zinc/28/19/17/684281917.db2.gz QXOZNCVCIDUUKA-FRRDWIJNSA-N 1 0 350.419 2.003 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931433706 684282272 /nfs/dbraw/zinc/28/22/72/684282272.db2.gz FOYWAYLYBGVPGU-NEPJUHHUSA-N 1 0 352.822 2.070 20 5 FEBDRO COc1cc(CN2CC[NH+](CCCCCO)CC2)c([N+](=O)[O-])cc1F ZINC000931495979 684291776 /nfs/dbraw/zinc/29/17/76/684291776.db2.gz HXLQJJSPPMCUBB-UHFFFAOYSA-N 1 0 355.410 2.023 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000931664513 684323267 /nfs/dbraw/zinc/32/32/67/684323267.db2.gz SQBGHBPMCOSGPE-JTQLQIEISA-N 1 0 371.235 2.106 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC2)CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000867620469 684334217 /nfs/dbraw/zinc/33/42/17/684334217.db2.gz QNVGCOYBUSTQRX-UHFFFAOYSA-N 1 0 373.500 2.461 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923737219 684342976 /nfs/dbraw/zinc/34/29/76/684342976.db2.gz XSBZINMBJZLVEW-HNNXBMFYSA-N 1 0 373.862 2.463 20 5 FEBDRO C[NH+]1CCC(ONC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000868090904 684450025 /nfs/dbraw/zinc/45/00/25/684450025.db2.gz RJMXFVFLGXBHEH-UHFFFAOYSA-N 1 0 372.219 2.042 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868926681 684558401 /nfs/dbraw/zinc/55/84/01/684558401.db2.gz DCENDRMRGFOOMA-LBPRGKRZSA-N 1 0 370.247 2.452 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869785650 684656201 /nfs/dbraw/zinc/65/62/01/684656201.db2.gz YSULDHAXBAGDOP-STQMWFEESA-N 1 0 367.471 2.037 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000872028961 684916243 /nfs/dbraw/zinc/91/62/43/684916243.db2.gz ODTIISUIEQLAIS-RYUDHWBXSA-N 1 0 373.500 2.391 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)cn1 ZINC000873203086 685094880 /nfs/dbraw/zinc/09/48/80/685094880.db2.gz OMUCUEICOXYVCV-UHFFFAOYSA-N 1 0 359.455 2.019 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C3(F)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000876228351 686160694 /nfs/dbraw/zinc/16/06/94/686160694.db2.gz NYZOYWVAXGKNDR-UHFFFAOYSA-N 1 0 350.394 2.202 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000876641580 686234866 /nfs/dbraw/zinc/23/48/66/686234866.db2.gz PPQYFXBJUFFKSK-UHFFFAOYSA-N 1 0 355.460 2.067 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877276870 686347107 /nfs/dbraw/zinc/34/71/07/686347107.db2.gz CXDFHPTYZLGGAJ-QWHCGFSZSA-N 1 0 354.204 2.324 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877371771 686368010 /nfs/dbraw/zinc/36/80/10/686368010.db2.gz VNPUWEQBSZOFHJ-XCBNKYQSSA-N 1 0 351.712 2.457 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000878867075 686677821 /nfs/dbraw/zinc/67/78/21/686677821.db2.gz ZXOCJPVZRHUQJD-OAHLLOKOSA-N 1 0 372.263 2.246 20 5 FEBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134436 687004072 /nfs/dbraw/zinc/00/40/72/687004072.db2.gz MVJXRFHZWZTOOH-CABCVRRESA-N 1 0 352.822 2.355 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000882769103 687480861 /nfs/dbraw/zinc/48/08/61/687480861.db2.gz IEWUKFKOOOJSLX-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[NH2+]CCC23CCC3)c1[N+](=O)[O-] ZINC000883478931 687643324 /nfs/dbraw/zinc/64/33/24/687643324.db2.gz GBFQTWCMJASCHI-UHFFFAOYSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884953478 687973058 /nfs/dbraw/zinc/97/30/58/687973058.db2.gz ZJNODITXSJTOOC-VXGBXAGGSA-N 1 0 373.862 2.462 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000885886060 688178326 /nfs/dbraw/zinc/17/83/26/688178326.db2.gz RACQFDYTCZNXNW-LBPRGKRZSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000888283668 688577098 /nfs/dbraw/zinc/57/70/98/688577098.db2.gz XBCIDGBZOSAYHZ-NEPJUHHUSA-N 1 0 370.837 2.475 20 5 FEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000889659341 688803777 /nfs/dbraw/zinc/80/37/77/688803777.db2.gz VOOSVOIXHDSHHM-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895244924 689683137 /nfs/dbraw/zinc/68/31/37/689683137.db2.gz ATKKDTRDWLNFDV-ZWNOBZJWSA-N 1 0 357.252 2.404 20 5 FEBDRO COc1c(O)ccc(C[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000896878555 689943021 /nfs/dbraw/zinc/94/30/21/689943021.db2.gz IRTSJISFVXRGAH-NSHDSACASA-N 1 0 351.325 2.281 20 5 FEBDRO CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897096217 689974579 /nfs/dbraw/zinc/97/45/79/689974579.db2.gz ACOKYVNCHCLSFJ-UHFFFAOYSA-N 1 0 357.252 2.041 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220390 689990030 /nfs/dbraw/zinc/99/00/30/689990030.db2.gz AHYOLOKMHZEZCQ-OLZOCXBDSA-N 1 0 370.247 2.393 20 5 FEBDRO CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC2(CC1)OCCO2 ZINC000897715543 690068841 /nfs/dbraw/zinc/06/88/41/690068841.db2.gz NRSFPUHACYLDOU-UHFFFAOYSA-N 1 0 350.419 2.408 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000900692687 690549202 /nfs/dbraw/zinc/54/92/02/690549202.db2.gz VXAMLTUEKLRCAZ-JTQLQIEISA-N 1 0 374.235 2.054 20 5 FEBDRO C[NH+]1CCC2(CCN2C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903034298 690836273 /nfs/dbraw/zinc/83/62/73/690836273.db2.gz RCRJOTWNRBYYTN-UHFFFAOYSA-N 1 0 355.341 2.263 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1C ZINC000903202857 690865860 /nfs/dbraw/zinc/86/58/60/690865860.db2.gz KILBJOOHPWYENT-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc([N+](=O)[O-])c1 ZINC000903225607 690869641 /nfs/dbraw/zinc/86/96/41/690869641.db2.gz HDJGMRCDTXXMHV-LSLWTWFVSA-N 1 0 354.428 2.362 20 5 FEBDRO CCOc1cc(N2CCN(C[C@@H]([NH3+])CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000903909538 690985452 /nfs/dbraw/zinc/98/54/52/690985452.db2.gz FKQXRYDKFKVTCA-LBPRGKRZSA-N 1 0 358.389 2.098 20 5 FEBDRO COc1cc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903982801 690992064 /nfs/dbraw/zinc/99/20/64/690992064.db2.gz VVMFDISZVAFTLU-WDEREUQCSA-N 1 0 363.336 2.324 20 5 FEBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905519613 691131127 /nfs/dbraw/zinc/13/11/27/691131127.db2.gz JMRHRMLYLTXDPB-CYBMUJFWSA-N 1 0 358.320 2.442 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906596201 691289424 /nfs/dbraw/zinc/28/94/24/691289424.db2.gz CRSREVFXDVEEES-CQSZACIVSA-N 1 0 369.849 2.408 20 5 FEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000907854291 691570886 /nfs/dbraw/zinc/57/08/86/691570886.db2.gz WRPZDJZTJPVQMX-UHFFFAOYSA-N 1 0 359.835 2.107 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908238650 691642498 /nfs/dbraw/zinc/64/24/98/691642498.db2.gz AORSWXQFCVHVPD-UHFFFAOYSA-N 1 0 360.817 2.001 20 5 FEBDRO COc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726504 720375693 /nfs/dbraw/zinc/37/56/93/720375693.db2.gz OZWOXXFMYQUEAU-HOTGVXAUSA-N 1 0 355.398 2.247 20 5 FEBDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001164732238 720506066 /nfs/dbraw/zinc/50/60/66/720506066.db2.gz UAHRAXKVUSLIRJ-LLVKDONJSA-N 1 0 350.810 2.038 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868325 721047749 /nfs/dbraw/zinc/04/77/49/721047749.db2.gz NTSWVYCIQFWWAO-IAGOWNOFSA-N 1 0 369.425 2.173 20 5 FEBDRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164869241 721049561 /nfs/dbraw/zinc/04/95/61/721049561.db2.gz SRCUHQUYAKTOGJ-IAGOWNOFSA-N 1 0 369.425 2.173 20 5 FEBDRO CN(C)/C=C\c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769843 721296036 /nfs/dbraw/zinc/29/60/36/721296036.db2.gz OPBKPNGLLJOKRM-ALCCZGGFSA-N 1 0 357.458 2.444 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979172 722100589 /nfs/dbraw/zinc/10/05/89/722100589.db2.gz HGASRGJUXSEYSE-SJLPKXTDSA-N 1 0 369.425 2.112 20 5 FEBDRO C[NH+](C)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)Cc2ccccc2C1 ZINC000502354364 887218313 /nfs/dbraw/zinc/21/83/13/887218313.db2.gz VHTQBLHDZNIOOV-UHFFFAOYSA-N 1 0 352.398 2.149 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CN3CCN2CC3)nc1-c1ccc(F)cc1 ZINC000485408414 888795193 /nfs/dbraw/zinc/79/51/93/888795193.db2.gz QGTQBOBENZEINU-OAHLLOKOSA-N 1 0 357.389 2.208 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000026885393 539796613 /nfs/dbraw/zinc/79/66/13/539796613.db2.gz AIMXFEZUDBMCFM-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)c(C)c2)CC1 ZINC000076267165 542251769 /nfs/dbraw/zinc/25/17/69/542251769.db2.gz RPAUNYBTSQOXKA-UHFFFAOYSA-N 1 0 357.418 2.161 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535766 539884097 /nfs/dbraw/zinc/88/40/97/539884097.db2.gz ZYSDEBDPBQMWEO-WFASDCNBSA-N 1 0 360.366 2.414 20 5 FEBDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000032065758 539927291 /nfs/dbraw/zinc/92/72/91/539927291.db2.gz ZZHJTKBHHJUSQW-UHFFFAOYSA-N 1 0 374.466 2.204 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000032664515 539947100 /nfs/dbraw/zinc/94/71/00/539947100.db2.gz HAYDCSGPOCJDTL-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000550229312 674085776 /nfs/dbraw/zinc/08/57/76/674085776.db2.gz IAUITABJRRXTAI-JKSUJKDBSA-N 1 0 353.394 2.038 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000041333344 540017325 /nfs/dbraw/zinc/01/73/25/540017325.db2.gz FFUTXGHKJVLSMR-MRXNPFEDSA-N 1 0 364.446 2.406 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043149277 540092283 /nfs/dbraw/zinc/09/22/83/540092283.db2.gz AZWSVSQOIVGNMK-UHFFFAOYSA-N 1 0 363.462 2.442 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000045802244 540228487 /nfs/dbraw/zinc/22/84/87/540228487.db2.gz PSTOTIGELDRMSM-UHFFFAOYSA-N 1 0 363.462 2.054 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000046036522 540238567 /nfs/dbraw/zinc/23/85/67/540238567.db2.gz LJAQDDOLCCSSBW-HUUCEWRRSA-N 1 0 353.444 2.117 20 5 FEBDRO CCC(CC)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000046341171 540252944 /nfs/dbraw/zinc/25/29/44/540252944.db2.gz CARYXMKGKIJVFD-UHFFFAOYSA-N 1 0 372.491 2.425 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000046934907 540277389 /nfs/dbraw/zinc/27/73/89/540277389.db2.gz ULNNSGYFQVBXAL-OAHLLOKOSA-N 1 0 371.441 2.482 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000046934908 540277426 /nfs/dbraw/zinc/27/74/26/540277426.db2.gz ULNNSGYFQVBXAL-HNNXBMFYSA-N 1 0 371.441 2.482 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046980836 540281691 /nfs/dbraw/zinc/28/16/91/540281691.db2.gz UGSVVFARBKRQHU-HNNXBMFYSA-N 1 0 371.441 2.482 20 5 FEBDRO C[C@H]1CN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000051764511 540443136 /nfs/dbraw/zinc/44/31/36/540443136.db2.gz MORYNYQCDSADQF-GJZGRUSLSA-N 1 0 361.442 2.443 20 5 FEBDRO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000053807335 540555426 /nfs/dbraw/zinc/55/54/26/540555426.db2.gz GRIONNURDLEZEA-CYBMUJFWSA-N 1 0 357.414 2.209 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000054780032 540609222 /nfs/dbraw/zinc/60/92/22/540609222.db2.gz DTQWVJCFFMWOGN-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000059748111 540865759 /nfs/dbraw/zinc/86/57/59/540865759.db2.gz KERYJQMAPXMLER-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)cc1C ZINC000060505553 541114856 /nfs/dbraw/zinc/11/48/56/541114856.db2.gz AUVWCOHTPOICQH-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000063724910 541181406 /nfs/dbraw/zinc/18/14/06/541181406.db2.gz UOFGKQUZLMSAKZ-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO COC(=O)CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000064558924 541210776 /nfs/dbraw/zinc/21/07/76/541210776.db2.gz ZIRXQYHWYUQROG-UHFFFAOYSA-N 1 0 363.414 2.005 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000065639505 541250773 /nfs/dbraw/zinc/25/07/73/541250773.db2.gz SJQQHCAFHDMCBC-LLVKDONJSA-N 1 0 368.821 2.033 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2Cl)cc1 ZINC000065977926 541276209 /nfs/dbraw/zinc/27/62/09/541276209.db2.gz ASVOAHHPFDNTTG-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000065877285 541267952 /nfs/dbraw/zinc/26/79/52/541267952.db2.gz JTJPHPRALLFDKA-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066106096 541282524 /nfs/dbraw/zinc/28/25/24/541282524.db2.gz DKDHOFZDCWAXJY-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067105514 541418471 /nfs/dbraw/zinc/41/84/71/541418471.db2.gz SEWZPXSVDRFQIO-CYBMUJFWSA-N 1 0 363.414 2.360 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000067137133 541422521 /nfs/dbraw/zinc/42/25/21/541422521.db2.gz WBMNLXQEQCKGID-KGLIPLIRSA-N 1 0 372.429 2.168 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000067294142 541441511 /nfs/dbraw/zinc/44/15/11/541441511.db2.gz WSHYCTVZDOJRTM-UHFFFAOYSA-N 1 0 363.462 2.296 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067487060 541470653 /nfs/dbraw/zinc/47/06/53/541470653.db2.gz VOVFURJYQIBUCX-OAHLLOKOSA-N 1 0 350.419 2.118 20 5 FEBDRO C[C@H]1CCC[C@@](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)([NH+](C)C)C1 ZINC000068110641 541550606 /nfs/dbraw/zinc/55/06/06/541550606.db2.gz CINIBZYDJPKWMM-SUMWQHHRSA-N 1 0 351.451 2.153 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000068130283 541552585 /nfs/dbraw/zinc/55/25/85/541552585.db2.gz HXZAZWXRLMLDPB-UHFFFAOYSA-N 1 0 372.425 2.264 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068257018 541568720 /nfs/dbraw/zinc/56/87/20/541568720.db2.gz VTHIAMPAOMPXFE-KRWDZBQOSA-N 1 0 371.441 2.128 20 5 FEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000068386522 541585642 /nfs/dbraw/zinc/58/56/42/541585642.db2.gz YCBLAQQANXASBC-AWEZNQCLSA-N 1 0 372.425 2.002 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000068574842 541611669 /nfs/dbraw/zinc/61/16/69/541611669.db2.gz SAYMOPLXNBOUBW-KRWDZBQOSA-N 1 0 371.441 2.443 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000068878758 541636563 /nfs/dbraw/zinc/63/65/63/541636563.db2.gz OXTPMKFCFDPVNQ-AWEZNQCLSA-N 1 0 365.430 2.220 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000068904237 541638969 /nfs/dbraw/zinc/63/89/69/541638969.db2.gz ZHWNSFLYISPEEY-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069064194 541653159 /nfs/dbraw/zinc/65/31/59/541653159.db2.gz YAPGHVQKXQRGGM-ZDUSSCGKSA-N 1 0 370.475 2.035 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069745961 541710618 /nfs/dbraw/zinc/71/06/18/541710618.db2.gz KZFUFWUCMOJUPC-DKRLNXSXSA-N 1 0 359.426 2.179 20 5 FEBDRO COc1cc(OCC(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000070782699 541743311 /nfs/dbraw/zinc/74/33/11/541743311.db2.gz WDVVYJRCNYNMCB-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000071898730 541774591 /nfs/dbraw/zinc/77/45/91/541774591.db2.gz UHJZIMYMRCOIJT-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072720106 541857524 /nfs/dbraw/zinc/85/75/24/541857524.db2.gz OGRYNDUUGUAYRR-MRXNPFEDSA-N 1 0 372.469 2.292 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072859027 541883240 /nfs/dbraw/zinc/88/32/40/541883240.db2.gz UFCSXYZGBVYYQV-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCCC1 ZINC000072903719 541891845 /nfs/dbraw/zinc/89/18/45/541891845.db2.gz IIEAZMWEQLDDRL-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000073251632 541935113 /nfs/dbraw/zinc/93/51/13/541935113.db2.gz WFTWQYXGUFBPNJ-UHFFFAOYSA-N 1 0 357.357 2.057 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000801572558 674137060 /nfs/dbraw/zinc/13/70/60/674137060.db2.gz JOVMFPDBJNRYNP-MRXNPFEDSA-N 1 0 353.423 2.028 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000043008358 208298514 /nfs/dbraw/zinc/29/85/14/208298514.db2.gz RXBXXYCXGWKXRN-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO CN(CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000079350662 542513522 /nfs/dbraw/zinc/51/35/22/542513522.db2.gz YWZFTFYCFUFMDE-KRWDZBQOSA-N 1 0 368.437 2.422 20 5 FEBDRO CN(CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079357058 542513969 /nfs/dbraw/zinc/51/39/69/542513969.db2.gz BRRGXYCAHCKBSO-KRWDZBQOSA-N 1 0 370.453 2.320 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000079998798 542557118 /nfs/dbraw/zinc/55/71/18/542557118.db2.gz RDNYYHKTYOIUDN-UHFFFAOYSA-N 1 0 355.822 2.018 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089927033 542774019 /nfs/dbraw/zinc/77/40/19/542774019.db2.gz UTQUIRRSTUDQQP-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1F ZINC000092995936 542900989 /nfs/dbraw/zinc/90/09/89/542900989.db2.gz AKFSXPLHCZFIJQ-CYBMUJFWSA-N 1 0 371.434 2.149 20 5 FEBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093813449 542941484 /nfs/dbraw/zinc/94/14/84/542941484.db2.gz LYJKPZRGZNHKPJ-GOSISDBHSA-N 1 0 358.398 2.380 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410351 543069212 /nfs/dbraw/zinc/06/92/12/543069212.db2.gz GIHMVEGLPBUAEN-HNNXBMFYSA-N 1 0 373.413 2.466 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102345964 543065197 /nfs/dbraw/zinc/06/51/97/543065197.db2.gz BRRJBYHKZOFOQI-CQSZACIVSA-N 1 0 351.451 2.297 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104664091 543136633 /nfs/dbraw/zinc/13/66/33/543136633.db2.gz MUZWZIXDMAKNMO-OAHLLOKOSA-N 1 0 358.398 2.345 20 5 FEBDRO CC(=O)N[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674659 543136964 /nfs/dbraw/zinc/13/69/64/543136964.db2.gz GBFBGKXBSYTZQM-HNNXBMFYSA-N 1 0 358.398 2.393 20 5 FEBDRO CC(C)(C(=O)NCCCCC[NH+]1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000110439876 543358144 /nfs/dbraw/zinc/35/81/44/543358144.db2.gz POTPNFNLZPKYRS-UHFFFAOYSA-N 1 0 351.451 2.299 20 5 FEBDRO CNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111267215 543390799 /nfs/dbraw/zinc/39/07/99/543390799.db2.gz IUWDCDGRTLMGIO-YPMHNXCESA-N 1 0 359.386 2.164 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000114378848 543511866 /nfs/dbraw/zinc/51/18/66/543511866.db2.gz CGBMNDPPDHWXKD-UHFFFAOYSA-N 1 0 354.476 2.112 20 5 FEBDRO CCC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000114463522 543517765 /nfs/dbraw/zinc/51/77/65/543517765.db2.gz MSNFCPGSUMHHCN-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114644930 543528008 /nfs/dbraw/zinc/52/80/08/543528008.db2.gz WGWHONQOYQLOEC-KRWDZBQOSA-N 1 0 371.441 2.271 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000115876323 543591881 /nfs/dbraw/zinc/59/18/81/543591881.db2.gz PPHMCCMRRGDDDS-SECBINFHSA-N 1 0 371.340 2.171 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000116372434 543607847 /nfs/dbraw/zinc/60/78/47/543607847.db2.gz YJEZFHHSSRSPNN-CQSZACIVSA-N 1 0 361.439 2.379 20 5 FEBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000123082200 543741297 /nfs/dbraw/zinc/74/12/97/543741297.db2.gz KCMLZGZLAAGATA-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000122419215 543707254 /nfs/dbraw/zinc/70/72/54/543707254.db2.gz ONSLHWDRQPCNMS-ZIAGYGMSSA-N 1 0 353.444 2.008 20 5 FEBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)CC1 ZINC000122673537 543716873 /nfs/dbraw/zinc/71/68/73/543716873.db2.gz FIXRIBFXPDPIBD-UHFFFAOYSA-N 1 0 362.430 2.468 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000126727042 543953413 /nfs/dbraw/zinc/95/34/13/543953413.db2.gz QTAATEQOSTVZMB-CQSZACIVSA-N 1 0 367.471 2.403 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@@H+]1C1CC1 ZINC000127570883 544000600 /nfs/dbraw/zinc/00/06/00/544000600.db2.gz XAECFSKCIYYATM-CABCVRRESA-N 1 0 373.457 2.052 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130714138 544161782 /nfs/dbraw/zinc/16/17/82/544161782.db2.gz WXGPSHKNHQIIFS-UHFFFAOYSA-N 1 0 373.251 2.035 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313475 544185061 /nfs/dbraw/zinc/18/50/61/544185061.db2.gz QYCMHZNKDAJQPT-SUZMYJTESA-N 1 0 368.821 2.209 20 5 FEBDRO CCC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000130933040 544171296 /nfs/dbraw/zinc/17/12/96/544171296.db2.gz BBWOMEMDVJIDNY-MRXNPFEDSA-N 1 0 367.421 2.236 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000132273275 544225078 /nfs/dbraw/zinc/22/50/78/544225078.db2.gz URUODEQLOLFBLO-WBVHZDCISA-N 1 0 371.441 2.303 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000142017076 544415508 /nfs/dbraw/zinc/41/55/08/544415508.db2.gz WHOWJPDUMRYHON-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151388497 544536347 /nfs/dbraw/zinc/53/63/47/544536347.db2.gz QLHGGQVKCCXZES-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000151172165 544513902 /nfs/dbraw/zinc/51/39/02/544513902.db2.gz BYHQTKOIGBXWHL-OAHLLOKOSA-N 1 0 357.414 2.162 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000151628009 544563546 /nfs/dbraw/zinc/56/35/46/544563546.db2.gz HXGZYDXSPYCEGU-AWEZNQCLSA-N 1 0 353.444 2.010 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000152178562 544621831 /nfs/dbraw/zinc/62/18/31/544621831.db2.gz HTSLSVYFYHOBTA-LBPRGKRZSA-N 1 0 351.403 2.167 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000152399213 544648175 /nfs/dbraw/zinc/64/81/75/544648175.db2.gz ADQJXQIRZWBYNS-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000152606568 544673397 /nfs/dbraw/zinc/67/33/97/544673397.db2.gz HVVXZLKYZHDZBA-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000152793843 544696543 /nfs/dbraw/zinc/69/65/43/544696543.db2.gz UUKZDKQQGCUKJZ-LBPRGKRZSA-N 1 0 371.459 2.068 20 5 FEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000153444121 544776742 /nfs/dbraw/zinc/77/67/42/544776742.db2.gz QQFRPTLHLLRWMR-MRXNPFEDSA-N 1 0 360.458 2.364 20 5 FEBDRO COC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000153770147 544820490 /nfs/dbraw/zinc/82/04/90/544820490.db2.gz AMERXZDSDFFGPN-GFCCVEGCSA-N 1 0 350.371 2.350 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000182160203 327763344 /nfs/dbraw/zinc/76/33/44/327763344.db2.gz ZBEJBBSTCKJPPM-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182200069 327765416 /nfs/dbraw/zinc/76/54/16/327765416.db2.gz WIRFBTDAVBOYPV-CYBMUJFWSA-N 1 0 361.398 2.272 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1-n1cccn1 ZINC000183137194 327803561 /nfs/dbraw/zinc/80/35/61/327803561.db2.gz KABJRGBBOQMJTM-CQSZACIVSA-N 1 0 353.382 2.293 20 5 FEBDRO C[C@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183291719 327810703 /nfs/dbraw/zinc/81/07/03/327810703.db2.gz NDJXJVVUTHLPTJ-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000185062697 327897545 /nfs/dbraw/zinc/89/75/45/327897545.db2.gz RBOLTYLEYXDFHO-NEPJUHHUSA-N 1 0 359.423 2.193 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CCO)c1ccco1 ZINC000185068124 327897775 /nfs/dbraw/zinc/89/77/75/327897775.db2.gz WQWWMCMLZDMRDH-CYBMUJFWSA-N 1 0 363.370 2.238 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000186313583 327956770 /nfs/dbraw/zinc/95/67/70/327956770.db2.gz QYOKBVHQAYAYCQ-UHFFFAOYSA-N 1 0 373.450 2.395 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000186313559 327956719 /nfs/dbraw/zinc/95/67/19/327956719.db2.gz HDSTZRLRAYLYQX-UHFFFAOYSA-N 1 0 369.487 2.131 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000187627655 328036789 /nfs/dbraw/zinc/03/67/89/328036789.db2.gz APWNDNUQTJIHSK-KGLIPLIRSA-N 1 0 364.446 2.142 20 5 FEBDRO CSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188687190 328104109 /nfs/dbraw/zinc/10/41/09/328104109.db2.gz XHKUJYZPFXIKSV-GFCCVEGCSA-N 1 0 367.471 2.234 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000189145599 328131134 /nfs/dbraw/zinc/13/11/34/328131134.db2.gz YWMRNZBJVUMNFA-LSDHHAIUSA-N 1 0 369.487 2.177 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000189260350 328137648 /nfs/dbraw/zinc/13/76/48/328137648.db2.gz PZSWEDPTPJDNKQ-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189276756 328138719 /nfs/dbraw/zinc/13/87/19/328138719.db2.gz JCWAGBWQBWIZIU-WBMJQRKESA-N 1 0 351.403 2.289 20 5 FEBDRO C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000189880844 328173173 /nfs/dbraw/zinc/17/31/73/328173173.db2.gz FLYXANVQEVOHCD-HNNXBMFYSA-N 1 0 351.447 2.141 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000189949371 328177957 /nfs/dbraw/zinc/17/79/57/328177957.db2.gz SOHYEBIWYTYGTP-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190655189 328222573 /nfs/dbraw/zinc/22/25/73/328222573.db2.gz VMNHWBWGYMJAMW-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190655396 328222591 /nfs/dbraw/zinc/22/25/91/328222591.db2.gz GDOOSKOHCXMMPB-UHFFFAOYSA-N 1 0 350.419 2.114 20 5 FEBDRO COc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000190672212 328223923 /nfs/dbraw/zinc/22/39/23/328223923.db2.gz ORGFCLULILNXAD-MRXNPFEDSA-N 1 0 358.394 2.401 20 5 FEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191639428 328275150 /nfs/dbraw/zinc/27/51/50/328275150.db2.gz JTZPXSCDFIPYLA-LJQANCHMSA-N 1 0 361.442 2.357 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000191791668 328282087 /nfs/dbraw/zinc/28/20/87/328282087.db2.gz VJVJKUYYIQZXGK-OAHLLOKOSA-N 1 0 363.462 2.395 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000191985992 328291933 /nfs/dbraw/zinc/29/19/33/328291933.db2.gz IJROCWAGYVOMSD-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000193228307 328363882 /nfs/dbraw/zinc/36/38/82/328363882.db2.gz NLVGCKNYSSZQEZ-LLVKDONJSA-N 1 0 361.851 2.177 20 5 FEBDRO C[C@@H]([NH3+])CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000193239418 328364444 /nfs/dbraw/zinc/36/44/44/328364444.db2.gz OXVGHJGONLQFJM-LLVKDONJSA-N 1 0 374.363 2.390 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193294732 328367249 /nfs/dbraw/zinc/36/72/49/328367249.db2.gz NISLTYBNYBJSFF-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193461425 328376725 /nfs/dbraw/zinc/37/67/25/328376725.db2.gz NGOGCGHCBKVYEU-KWQFWETISA-N 1 0 367.349 2.032 20 5 FEBDRO CNC(=O)c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000053573724 324743461 /nfs/dbraw/zinc/74/34/61/324743461.db2.gz ZZEMZRXDTHVNQO-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000065858301 324880804 /nfs/dbraw/zinc/88/08/04/324880804.db2.gz WDLVVVVGZNOPQZ-MRXNPFEDSA-N 1 0 356.426 2.296 20 5 FEBDRO COc1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237256058 328509939 /nfs/dbraw/zinc/50/99/39/328509939.db2.gz XQJVXFRXGFVAGW-SNVBAGLBSA-N 1 0 373.356 2.324 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237321375 328512466 /nfs/dbraw/zinc/51/24/66/328512466.db2.gz LIFSFWZBBBMLFS-UHFFFAOYSA-N 1 0 355.822 2.475 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000080504566 325134006 /nfs/dbraw/zinc/13/40/06/325134006.db2.gz BTNICGHZFWZNFF-KRWDZBQOSA-N 1 0 371.441 2.223 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081068155 325157598 /nfs/dbraw/zinc/15/75/98/325157598.db2.gz OUMRUSVSQCJKMQ-AWEZNQCLSA-N 1 0 361.320 2.231 20 5 FEBDRO CN1CC[NH+](CC2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000087338130 325280197 /nfs/dbraw/zinc/28/01/97/325280197.db2.gz DKQSCNPKUUMEBO-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO Cn1cc(C(=O)NCC[C@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237885323 328532937 /nfs/dbraw/zinc/53/29/37/328532937.db2.gz FRPHSNBTLYKZQZ-CYBMUJFWSA-N 1 0 357.414 2.115 20 5 FEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410443 325358276 /nfs/dbraw/zinc/35/82/76/325358276.db2.gz YHEJJCBUFWBSKI-GXTWGEPZSA-N 1 0 350.419 2.448 20 5 FEBDRO Cc1cccc(C)c1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000091060697 325371794 /nfs/dbraw/zinc/37/17/94/325371794.db2.gz KTFKVNUNCOLYKY-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824198 325394520 /nfs/dbraw/zinc/39/45/20/325394520.db2.gz RFWKREPBQUBBHO-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332809 325490515 /nfs/dbraw/zinc/49/05/15/325490515.db2.gz RCUGTIKQBPHAFQ-HUUCEWRRSA-N 1 0 365.478 2.401 20 5 FEBDRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102420573 325493043 /nfs/dbraw/zinc/49/30/43/325493043.db2.gz PVRCPDKVKLAGGU-UHFFFAOYSA-N 1 0 369.468 2.352 20 5 FEBDRO COc1cc(OCC(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000112916002 325812891 /nfs/dbraw/zinc/81/28/91/325812891.db2.gz VZNJEHJNUMHYKL-UHFFFAOYSA-N 1 0 365.430 2.315 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252610 326001795 /nfs/dbraw/zinc/00/17/95/326001795.db2.gz TZYRDPOQEQBJHN-SCLBCKFNSA-N 1 0 369.425 2.334 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116277394 326002903 /nfs/dbraw/zinc/00/29/03/326002903.db2.gz LUBYFSFYMIVBPP-UHFFFAOYSA-N 1 0 368.865 2.234 20 5 FEBDRO CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)OC ZINC000245848492 328574360 /nfs/dbraw/zinc/57/43/60/328574360.db2.gz FMCJXQYGHGEXCE-PPHDSNJXSA-N 1 0 365.430 2.258 20 5 FEBDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000118131751 326085010 /nfs/dbraw/zinc/08/50/10/326085010.db2.gz JGUPKZGVNLBGHD-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000119673995 326186881 /nfs/dbraw/zinc/18/68/81/326186881.db2.gz OOANDANJAQGHML-LBPRGKRZSA-N 1 0 350.375 2.211 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000120922908 326299227 /nfs/dbraw/zinc/29/92/27/326299227.db2.gz MPTNNNHZGMPQHD-CQSZACIVSA-N 1 0 364.446 2.243 20 5 FEBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120926913 326299679 /nfs/dbraw/zinc/29/96/79/326299679.db2.gz NJMURUOTQFRYON-UHFFFAOYSA-N 1 0 359.430 2.247 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000122905860 326413505 /nfs/dbraw/zinc/41/35/05/326413505.db2.gz NHBZHSISCMNZAI-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000125549164 326473662 /nfs/dbraw/zinc/47/36/62/326473662.db2.gz JMWDXTASIGRALR-UHFFFAOYSA-N 1 0 365.430 2.249 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131352001 326573221 /nfs/dbraw/zinc/57/32/21/326573221.db2.gz MSXFCZJIEDIFRD-MRXNPFEDSA-N 1 0 350.444 2.121 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000136898007 326656330 /nfs/dbraw/zinc/65/63/30/326656330.db2.gz SAQLRQAECIEPHQ-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150881407 326670161 /nfs/dbraw/zinc/67/01/61/326670161.db2.gz QFRNPHKTXLQLQO-AWEZNQCLSA-N 1 0 367.471 2.453 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151789368 326691042 /nfs/dbraw/zinc/69/10/42/326691042.db2.gz DJMLKDPCLXZKCC-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000152318384 326704137 /nfs/dbraw/zinc/70/41/37/326704137.db2.gz KYIJWFPAHQLIQE-LLVKDONJSA-N 1 0 355.822 2.474 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153527981 326735184 /nfs/dbraw/zinc/73/51/84/326735184.db2.gz LVSAWOXWCBINMT-RKDXNWHRSA-N 1 0 359.329 2.027 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000154527032 326762313 /nfs/dbraw/zinc/76/23/13/326762313.db2.gz SFPGOIXZXUMIRF-UHFFFAOYSA-N 1 0 351.432 2.364 20 5 FEBDRO O=C1CCCCN1CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154550941 326763055 /nfs/dbraw/zinc/76/30/55/326763055.db2.gz BQPRVOVJEPJOHL-GOSISDBHSA-N 1 0 361.442 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000158364966 326893623 /nfs/dbraw/zinc/89/36/23/326893623.db2.gz BREMTHPKOATJJH-UHFFFAOYSA-N 1 0 369.468 2.341 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160197420 326956925 /nfs/dbraw/zinc/95/69/25/326956925.db2.gz MGAWHKWTXPVURZ-ZWKOTPCHSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000160229955 326958030 /nfs/dbraw/zinc/95/80/30/326958030.db2.gz YZWFSAPQHTUJCR-ROUUACIJSA-N 1 0 361.442 2.401 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000164063658 327064213 /nfs/dbraw/zinc/06/42/13/327064213.db2.gz SIZQYWBHTZEUFA-AWEZNQCLSA-N 1 0 359.430 2.487 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[NH+](C)C ZINC000164063778 327064233 /nfs/dbraw/zinc/06/42/33/327064233.db2.gz SIZQYWBHTZEUFA-CQSZACIVSA-N 1 0 359.430 2.487 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CCN2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000164279005 327068033 /nfs/dbraw/zinc/06/80/33/327068033.db2.gz JGNUMBGJXMNZET-MRXNPFEDSA-N 1 0 370.457 2.166 20 5 FEBDRO Nc1c(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000172243171 327189421 /nfs/dbraw/zinc/18/94/21/327189421.db2.gz ZBEKAZYVOJWCOZ-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](CC4CCOCC4)CC3)cc2N1 ZINC000172411130 327200401 /nfs/dbraw/zinc/20/04/01/327200401.db2.gz DBJKOKJDBSMFAD-UHFFFAOYSA-N 1 0 374.441 2.028 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172461533 327202719 /nfs/dbraw/zinc/20/27/19/327202719.db2.gz LBBGQVWHESVLBT-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172586751 327209761 /nfs/dbraw/zinc/20/97/61/327209761.db2.gz OWLATOZJVAVLGK-OAHLLOKOSA-N 1 0 369.425 2.338 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000173338803 327250665 /nfs/dbraw/zinc/25/06/65/327250665.db2.gz NTADKALFXNLEJH-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO CCCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173590886 327269507 /nfs/dbraw/zinc/26/95/07/327269507.db2.gz PYXLCYUSCKGPCB-CQSZACIVSA-N 1 0 365.430 2.220 20 5 FEBDRO COc1ccc(CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000173599177 327269957 /nfs/dbraw/zinc/26/99/57/327269957.db2.gz OUHULYYHFMRFNJ-SFHVURJKSA-N 1 0 374.441 2.116 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173628036 327272296 /nfs/dbraw/zinc/27/22/96/327272296.db2.gz OHUKDRSLAFCOJM-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173669951 327275322 /nfs/dbraw/zinc/27/53/22/327275322.db2.gz KGRGERXCAWANCY-ZDUSSCGKSA-N 1 0 371.459 2.098 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1 ZINC000174167647 327310060 /nfs/dbraw/zinc/31/00/60/327310060.db2.gz GKFFGPYACMUSPK-INIZCTEOSA-N 1 0 372.429 2.040 20 5 FEBDRO CCc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174230825 327314546 /nfs/dbraw/zinc/31/45/46/327314546.db2.gz ZFEYTZLSKACHLS-OAHLLOKOSA-N 1 0 362.474 2.161 20 5 FEBDRO Cc1nn(CCC(=O)N2CC[N@@H+](C)CC23CCCCC3)c(C)c1[N+](=O)[O-] ZINC000174567382 327335483 /nfs/dbraw/zinc/33/54/83/327335483.db2.gz SPWXNIDNKYNOHI-UHFFFAOYSA-N 1 0 363.462 2.275 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)F)c1 ZINC000174732986 327346761 /nfs/dbraw/zinc/34/67/61/327346761.db2.gz RLQANRYEYCVARS-GXFFZTMASA-N 1 0 356.329 2.104 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000175059824 327371468 /nfs/dbraw/zinc/37/14/68/327371468.db2.gz NWPJHXLLUKDGEO-QWHCGFSZSA-N 1 0 350.394 2.403 20 5 FEBDRO CC(C)(NC(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000175382608 327389951 /nfs/dbraw/zinc/38/99/51/327389951.db2.gz GORHOSVNDKUJQP-UHFFFAOYSA-N 1 0 364.446 2.242 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000176891883 327482326 /nfs/dbraw/zinc/48/23/26/327482326.db2.gz GLZRNCTWRXNMRI-ZDUSSCGKSA-N 1 0 355.460 2.403 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000177138410 327500716 /nfs/dbraw/zinc/50/07/16/327500716.db2.gz SXGCCXZHQPMDRG-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO Nc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000177418796 327520909 /nfs/dbraw/zinc/52/09/09/327520909.db2.gz IZDMBYFZPIKBND-UHFFFAOYSA-N 1 0 350.394 2.453 20 5 FEBDRO Cc1nn(CCC(=O)NC2CC[NH+](C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000177451049 327522977 /nfs/dbraw/zinc/52/29/77/327522977.db2.gz JYXBACWCUGNEAK-UHFFFAOYSA-N 1 0 363.462 2.321 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178404264 327582797 /nfs/dbraw/zinc/58/27/97/327582797.db2.gz OKABGLOSCMXEQZ-SJORKVTESA-N 1 0 362.430 2.484 20 5 FEBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000248641997 328731499 /nfs/dbraw/zinc/73/14/99/328731499.db2.gz ZPVVXPPDAMAYKU-FFSVYQOJSA-N 1 0 351.403 2.478 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000261549084 328803304 /nfs/dbraw/zinc/80/33/04/328803304.db2.gz GRBZLJRUWYMIMW-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000261720366 328814336 /nfs/dbraw/zinc/81/43/36/328814336.db2.gz LLKGILCDFDXWOW-UHFFFAOYSA-N 1 0 361.373 2.143 20 5 FEBDRO COc1ccc(NC(=O)CN(CC[NH3+])CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000261807248 328821035 /nfs/dbraw/zinc/82/10/35/328821035.db2.gz SCGXLGOLLNTIQH-UHFFFAOYSA-N 1 0 372.425 2.045 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000261938496 328830511 /nfs/dbraw/zinc/83/05/11/328830511.db2.gz DLKYUGBXZVHJPC-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000262038611 328837481 /nfs/dbraw/zinc/83/74/81/328837481.db2.gz KWYKRUHCYGXSMK-UHFFFAOYSA-N 1 0 358.398 2.310 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000264263574 329005774 /nfs/dbraw/zinc/00/57/74/329005774.db2.gz FMVXYUYUEQTFEY-HNNXBMFYSA-N 1 0 362.430 2.373 20 5 FEBDRO C[N@H+](CCO)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264417616 329020578 /nfs/dbraw/zinc/02/05/78/329020578.db2.gz YWSFQQLUBWLBOH-UHFFFAOYSA-N 1 0 374.441 2.181 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000264666112 329046267 /nfs/dbraw/zinc/04/62/67/329046267.db2.gz ZNSHOUMYBOEFOE-QGZVFWFLSA-N 1 0 367.471 2.375 20 5 FEBDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000264789606 329061078 /nfs/dbraw/zinc/06/10/78/329061078.db2.gz SLMLRSSOBZGFHN-QPJJXVBHSA-N 1 0 372.469 2.094 20 5 FEBDRO CCc1cc(NC[C@H]2C[N@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802246 329062398 /nfs/dbraw/zinc/06/23/98/329062398.db2.gz UURPARBTXCEAHI-KRWDZBQOSA-N 1 0 370.457 2.272 20 5 FEBDRO COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000265220317 329103547 /nfs/dbraw/zinc/10/35/47/329103547.db2.gz KOEUWTXCBNOZLC-CQSZACIVSA-N 1 0 350.419 2.087 20 5 FEBDRO CC(C)n1c(Sc2c([N+](=O)[O-])ncn2C)nnc1C1CC[NH2+]CC1 ZINC000265500434 329133359 /nfs/dbraw/zinc/13/33/59/329133359.db2.gz XOEWQLSVIYNMNS-UHFFFAOYSA-N 1 0 351.436 2.119 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000265524840 329135921 /nfs/dbraw/zinc/13/59/21/329135921.db2.gz UHTMCAKJJSRXBP-JTQLQIEISA-N 1 0 374.344 2.038 20 5 FEBDRO COc1cc(NCc2cccnc2N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000266349956 329213999 /nfs/dbraw/zinc/21/39/99/329213999.db2.gz JIDVOGRNXMDXMO-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000266908274 329271577 /nfs/dbraw/zinc/27/15/77/329271577.db2.gz ILJHZTSFZMATQJ-HNNXBMFYSA-N 1 0 362.382 2.181 20 5 FEBDRO COc1cc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000267290704 329311168 /nfs/dbraw/zinc/31/11/68/329311168.db2.gz VLDIENXVMHRJIX-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267351271 329317597 /nfs/dbraw/zinc/31/75/97/329317597.db2.gz FODKSXFTCVJNMD-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267411657 329324636 /nfs/dbraw/zinc/32/46/36/329324636.db2.gz KOGCKRGXPPWGIV-DOMZBBRYSA-N 1 0 357.414 2.267 20 5 FEBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+](C)C ZINC000270340346 329592397 /nfs/dbraw/zinc/59/23/97/329592397.db2.gz DTYSLTAQGJHJCW-WDEREUQCSA-N 1 0 361.265 2.234 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000272346709 329772364 /nfs/dbraw/zinc/77/23/64/329772364.db2.gz XQKAJVSBTYSVSE-BDAKNGLRSA-N 1 0 359.329 2.014 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000273369560 329859289 /nfs/dbraw/zinc/85/92/89/329859289.db2.gz GRZMTLGENTXNKT-CVEARBPZSA-N 1 0 366.393 2.233 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000273437342 329864939 /nfs/dbraw/zinc/86/49/39/329864939.db2.gz MHPZDPCAJQHPLH-ZDUSSCGKSA-N 1 0 364.423 2.212 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273673114 329883286 /nfs/dbraw/zinc/88/32/86/329883286.db2.gz ZPOZIFMPRYNALA-GVDBMIGSSA-N 1 0 352.387 2.125 20 5 FEBDRO Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000275166884 330017504 /nfs/dbraw/zinc/01/75/04/330017504.db2.gz VULABQBHGBQMOI-UHFFFAOYSA-N 1 0 360.370 2.197 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)O1 ZINC000275517583 330058547 /nfs/dbraw/zinc/05/85/47/330058547.db2.gz YPDPYLPKDBGGQX-CQSZACIVSA-N 1 0 365.386 2.198 20 5 FEBDRO CCOCCOCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276212318 330129876 /nfs/dbraw/zinc/12/98/76/330129876.db2.gz HUPIKZIQWGGMDA-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(CC)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000276265394 330134918 /nfs/dbraw/zinc/13/49/18/330134918.db2.gz SJGCNMVAIZNUJS-UHFFFAOYSA-N 1 0 351.403 2.185 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000286419624 330183306 /nfs/dbraw/zinc/18/33/06/330183306.db2.gz PELUAIQQVDYSIO-UHFFFAOYSA-N 1 0 371.397 2.248 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000367202208 330229404 /nfs/dbraw/zinc/22/94/04/330229404.db2.gz SQCLLWFXKJAECN-AWEZNQCLSA-N 1 0 355.398 2.091 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000367234205 330233830 /nfs/dbraw/zinc/23/38/30/330233830.db2.gz LFLACMVGOXSTJE-AWEZNQCLSA-N 1 0 370.409 2.126 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000411390706 330257292 /nfs/dbraw/zinc/25/72/92/330257292.db2.gz ARCOFNQLPFOQIT-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000440840970 330276484 /nfs/dbraw/zinc/27/64/84/330276484.db2.gz HVHJOPOMVDUJPB-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000804818141 674302151 /nfs/dbraw/zinc/30/21/51/674302151.db2.gz BJLAXSAIFRCVJV-UHFFFAOYSA-N 1 0 355.410 2.298 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000156058488 545596353 /nfs/dbraw/zinc/59/63/53/545596353.db2.gz KHDIYEIQQOEBCK-HNNXBMFYSA-N 1 0 362.430 2.479 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156641175 545642172 /nfs/dbraw/zinc/64/21/72/545642172.db2.gz XUIWGSFLUGDNSF-CJNGLKHVSA-N 1 0 354.410 2.427 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)C2CC[NH+](CC)CC2)c([N+](=O)[O-])c1 ZINC000157518408 545750330 /nfs/dbraw/zinc/75/03/30/545750330.db2.gz BERJJEMJTFGOOF-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1ccc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000157624930 545763417 /nfs/dbraw/zinc/76/34/17/545763417.db2.gz FUHRAJBUCSFLJI-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO Cc1c(CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478374298 561165345 /nfs/dbraw/zinc/16/53/45/561165345.db2.gz ADGPETINSSXSDU-KBPBESRZSA-N 1 0 364.446 2.202 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160161471 546013480 /nfs/dbraw/zinc/01/34/80/546013480.db2.gz DDHJOIQMSLVTRX-AEFFLSMTSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160315739 546029087 /nfs/dbraw/zinc/02/90/87/546029087.db2.gz RFRUIOQZRZWIIQ-QZTJIDSGSA-N 1 0 361.442 2.401 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000161447995 546130433 /nfs/dbraw/zinc/13/04/33/546130433.db2.gz AMQMVKGEGPDNQN-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479288963 561186667 /nfs/dbraw/zinc/18/66/67/561186667.db2.gz PHHAVHQPQORSSZ-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO COc1ccc(NC(=O)CN(CCC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000479758553 561196515 /nfs/dbraw/zinc/19/65/15/561196515.db2.gz VKDOARAGKWRROZ-UHFFFAOYSA-N 1 0 372.425 2.393 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000175839407 546359504 /nfs/dbraw/zinc/35/95/04/546359504.db2.gz WWUWMSHQCVONAT-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175859942 546363886 /nfs/dbraw/zinc/36/38/86/546363886.db2.gz PJGLATFFRCRKPV-AWEZNQCLSA-N 1 0 352.435 2.232 20 5 FEBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000176045316 546395350 /nfs/dbraw/zinc/39/53/50/546395350.db2.gz LCNDHPCUKIFUMG-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO C[N@H+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000176374640 546437408 /nfs/dbraw/zinc/43/74/08/546437408.db2.gz KMOBXPZJEGXDBU-UHFFFAOYSA-N 1 0 363.439 2.395 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000176468379 546451317 /nfs/dbraw/zinc/45/13/17/546451317.db2.gz KYJWNYZVMIJUOH-AWEZNQCLSA-N 1 0 364.446 2.381 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000176872818 546499525 /nfs/dbraw/zinc/49/95/25/546499525.db2.gz UUDKYDGNMVDGJE-OAHLLOKOSA-N 1 0 363.462 2.284 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481056120 561223969 /nfs/dbraw/zinc/22/39/69/561223969.db2.gz IKVNJJWVTPXUKX-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177861069 546698178 /nfs/dbraw/zinc/69/81/78/546698178.db2.gz PODNJSQWVSXVFI-CYBMUJFWSA-N 1 0 350.419 2.087 20 5 FEBDRO CC(C)C[C@H](CO)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481402501 561232070 /nfs/dbraw/zinc/23/20/70/561232070.db2.gz JWVFJHFYUNRVCP-CQSZACIVSA-N 1 0 351.403 2.232 20 5 FEBDRO COC(=O)C[C@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000179131431 546903278 /nfs/dbraw/zinc/90/32/78/546903278.db2.gz NLMDEFPPXCINNV-SNVBAGLBSA-N 1 0 355.778 2.214 20 5 FEBDRO CC(=O)N1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179809998 547015717 /nfs/dbraw/zinc/01/57/17/547015717.db2.gz YZRVNYNWOBUHOH-UHFFFAOYSA-N 1 0 357.414 2.050 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000180177915 547064387 /nfs/dbraw/zinc/06/43/87/547064387.db2.gz WYIMCYLKOWKCMV-VQIMIIECSA-N 1 0 371.441 2.360 20 5 FEBDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831364 547387697 /nfs/dbraw/zinc/38/76/97/547387697.db2.gz KFWIHAQSYGSLTH-DZGCQCFKSA-N 1 0 365.430 2.258 20 5 FEBDRO NC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182022314 547423770 /nfs/dbraw/zinc/42/37/70/547423770.db2.gz YNZXRSSPXJUPGG-MRXNPFEDSA-N 1 0 362.430 2.337 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000183291316 547634254 /nfs/dbraw/zinc/63/42/54/547634254.db2.gz MZNBZVAORWGNSS-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO C[N@H+](CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000183749842 547712682 /nfs/dbraw/zinc/71/26/82/547712682.db2.gz OORIJOBYFDVHAH-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000183785326 547719467 /nfs/dbraw/zinc/71/94/67/547719467.db2.gz UZCJVMKWUPATGX-CYBMUJFWSA-N 1 0 370.475 2.166 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000183894264 547735389 /nfs/dbraw/zinc/73/53/89/547735389.db2.gz QBJDOGSCQZPBPH-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000184183576 547783381 /nfs/dbraw/zinc/78/33/81/547783381.db2.gz SRXZTBJYVGAIHC-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO COc1cc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184213884 547787508 /nfs/dbraw/zinc/78/75/08/547787508.db2.gz HCAYBNDNSAYJCJ-CQSZACIVSA-N 1 0 367.421 2.287 20 5 FEBDRO COc1cc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184213909 547787525 /nfs/dbraw/zinc/78/75/25/547787525.db2.gz HCAYBNDNSAYJCJ-AWEZNQCLSA-N 1 0 367.421 2.287 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000184316255 547806798 /nfs/dbraw/zinc/80/67/98/547806798.db2.gz ASDZQEZUJUDGJN-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000184620397 547855329 /nfs/dbraw/zinc/85/53/29/547855329.db2.gz QXXOBKHBUOUNFI-UHFFFAOYSA-N 1 0 364.324 2.049 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000485118799 561313060 /nfs/dbraw/zinc/31/30/60/561313060.db2.gz MHXQEWPMZCLXJO-UHFFFAOYSA-N 1 0 374.441 2.119 20 5 FEBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000485137039 561313725 /nfs/dbraw/zinc/31/37/25/561313725.db2.gz MYPXPRFAZWVWQO-UHFFFAOYSA-N 1 0 373.251 2.299 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185099051 547932671 /nfs/dbraw/zinc/93/26/71/547932671.db2.gz ROECMGFVTZOIIY-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000186163680 548093587 /nfs/dbraw/zinc/09/35/87/548093587.db2.gz JLGYHRAREGLEQY-JRJUITNWSA-N 1 0 372.469 2.237 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000186417945 548132386 /nfs/dbraw/zinc/13/23/86/548132386.db2.gz DUULUDRIIDBPSU-QGZVFWFLSA-N 1 0 369.425 2.411 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000485941607 561332911 /nfs/dbraw/zinc/33/29/11/561332911.db2.gz BKCSXPVSHUDZFG-LBPRGKRZSA-N 1 0 365.455 2.300 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000485939803 561332930 /nfs/dbraw/zinc/33/29/30/561332930.db2.gz JZNPRVFGVIYHQO-ZDUSSCGKSA-N 1 0 369.487 2.385 20 5 FEBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186754923 548185633 /nfs/dbraw/zinc/18/56/33/548185633.db2.gz ULBOPSVHMBEPIP-AWEZNQCLSA-N 1 0 360.370 2.245 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000186848736 548205651 /nfs/dbraw/zinc/20/56/51/548205651.db2.gz OEDUXJSKQSFTQW-TVQRCGJNSA-N 1 0 356.220 2.014 20 5 FEBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186916838 548218051 /nfs/dbraw/zinc/21/80/51/548218051.db2.gz QZYYLPLACIGQKF-OAHLLOKOSA-N 1 0 356.382 2.090 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000193947526 548411750 /nfs/dbraw/zinc/41/17/50/548411750.db2.gz BUSJWHSCWYBSIQ-CYBMUJFWSA-N 1 0 350.419 2.277 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000194146060 548440680 /nfs/dbraw/zinc/44/06/80/548440680.db2.gz JMPXEPRDGNGGPI-CQSZACIVSA-N 1 0 365.430 2.145 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH3+])Cc1ccccc1 ZINC000194749735 548526579 /nfs/dbraw/zinc/52/65/79/548526579.db2.gz UVRFEYFXWWBKBK-UHFFFAOYSA-N 1 0 363.439 2.307 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487072511 561362867 /nfs/dbraw/zinc/36/28/67/561362867.db2.gz CQSCXHJIWZOUCF-OAHLLOKOSA-N 1 0 350.419 2.085 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000236885639 548785336 /nfs/dbraw/zinc/78/53/36/548785336.db2.gz SGQNRSXDEDAJMM-NWDGAFQWSA-N 1 0 351.403 2.202 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237052173 548797135 /nfs/dbraw/zinc/79/71/35/548797135.db2.gz RCMNXMYCLWCUQL-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000237050164 548797142 /nfs/dbraw/zinc/79/71/42/548797142.db2.gz HEQFIILFCQEDMZ-RYUDHWBXSA-N 1 0 351.403 2.202 20 5 FEBDRO C[NH2+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237074945 548799303 /nfs/dbraw/zinc/79/93/03/548799303.db2.gz QSJVQFDFRNBNOV-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000237214998 548809002 /nfs/dbraw/zinc/80/90/02/548809002.db2.gz JILQLAKZTQCVJP-NEPJUHHUSA-N 1 0 353.444 2.045 20 5 FEBDRO O=C([C@H]1CCC[NH2+]1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237894799 548861914 /nfs/dbraw/zinc/86/19/14/548861914.db2.gz NYTZSOMJVKBFSN-GFCCVEGCSA-N 1 0 372.347 2.014 20 5 FEBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000245463608 548927393 /nfs/dbraw/zinc/92/73/93/548927393.db2.gz HGEWRRHFWOFNOM-OWCLPIDISA-N 1 0 354.451 2.068 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245540778 548942163 /nfs/dbraw/zinc/94/21/63/548942163.db2.gz IOWWPAVPKHHNLP-WOSRLPQWSA-N 1 0 365.430 2.413 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246040420 549039807 /nfs/dbraw/zinc/03/98/07/549039807.db2.gz BEYHNCIJTFMTJK-GXTWGEPZSA-N 1 0 355.460 2.260 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246065319 549044732 /nfs/dbraw/zinc/04/47/32/549044732.db2.gz DPKORCGBQZHCGC-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000246155862 549064900 /nfs/dbraw/zinc/06/49/00/549064900.db2.gz LGKKFYTUJMGATM-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000246315532 549103113 /nfs/dbraw/zinc/10/31/13/549103113.db2.gz RDTHLMPPGDIVHE-GOEBONIOSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000246458098 549137572 /nfs/dbraw/zinc/13/75/72/549137572.db2.gz ABUDMRGVSUMBSF-CZUORRHYSA-N 1 0 353.444 2.008 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488712917 561395125 /nfs/dbraw/zinc/39/51/25/561395125.db2.gz KHKQPVARPZXGSY-GFCCVEGCSA-N 1 0 362.430 2.395 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488724856 561395445 /nfs/dbraw/zinc/39/54/45/561395445.db2.gz ZQCOVAQKPRRWNH-UMVBOHGHSA-N 1 0 362.430 2.333 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000246716538 549194334 /nfs/dbraw/zinc/19/43/34/549194334.db2.gz KAAFBOIETJKBFS-HOCLYGCPSA-N 1 0 374.441 2.175 20 5 FEBDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805528 561397401 /nfs/dbraw/zinc/39/74/01/561397401.db2.gz XTPLLVJRHHCTFG-CRAIPNDOSA-N 1 0 360.414 2.170 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000246824023 549221852 /nfs/dbraw/zinc/22/18/52/549221852.db2.gz BIBNLXLYNYYQCM-OCCSQVGLSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247324558 549318658 /nfs/dbraw/zinc/31/86/58/549318658.db2.gz IIAVQJLWRMOHTP-MFKMUULPSA-N 1 0 350.375 2.224 20 5 FEBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000248292269 549418712 /nfs/dbraw/zinc/41/87/12/549418712.db2.gz WVVFGPBTSMKMKC-OCCSQVGLSA-N 1 0 365.459 2.181 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248372459 549423628 /nfs/dbraw/zinc/42/36/28/549423628.db2.gz ZZGGNBJNVKALFN-KBPBESRZSA-N 1 0 355.460 2.315 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000248678550 549483234 /nfs/dbraw/zinc/48/32/34/549483234.db2.gz UXODXLKRVJRREQ-HIFRSBDPSA-N 1 0 357.414 2.062 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000248930884 549527734 /nfs/dbraw/zinc/52/77/34/549527734.db2.gz XUIWGSFLUGDNSF-XJKSGUPXSA-N 1 0 354.410 2.427 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248964928 549532396 /nfs/dbraw/zinc/53/23/96/549532396.db2.gz BOFLMXSIBVZFSL-NEPJUHHUSA-N 1 0 359.423 2.133 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000249144749 549560627 /nfs/dbraw/zinc/56/06/27/549560627.db2.gz ZWYSJLWFCFYQME-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000249151151 549561060 /nfs/dbraw/zinc/56/10/60/549561060.db2.gz HGJGFCKTYBRWGI-KBPBESRZSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249160136 549563125 /nfs/dbraw/zinc/56/31/25/549563125.db2.gz ZOYXHHVRZOJCHP-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000252222047 549663348 /nfs/dbraw/zinc/66/33/48/549663348.db2.gz ZHPORMUHSNDKGG-UONOGXRCSA-N 1 0 372.429 2.026 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261948674 549772606 /nfs/dbraw/zinc/77/26/06/549772606.db2.gz YRVANMXIWMXNQP-VKJFTORMSA-N 1 0 360.458 2.236 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262619399 549832759 /nfs/dbraw/zinc/83/27/59/549832759.db2.gz HPNSKWKQUKSDDY-OLZOCXBDSA-N 1 0 353.806 2.370 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)o2)cc1 ZINC000491137122 561443315 /nfs/dbraw/zinc/44/33/15/561443315.db2.gz PVNGMSXATVDHNH-KRWDZBQOSA-N 1 0 356.426 2.334 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCN([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000491143464 561443381 /nfs/dbraw/zinc/44/33/81/561443381.db2.gz YQZDRRLJLITQIC-QGZVFWFLSA-N 1 0 356.426 2.334 20 5 FEBDRO CC[NH+]1CCN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268466479 550070591 /nfs/dbraw/zinc/07/05/91/550070591.db2.gz GPHDAVUFIOVQNE-UHFFFAOYSA-N 1 0 372.267 2.192 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268477310 550072879 /nfs/dbraw/zinc/07/28/79/550072879.db2.gz NWYYJYKHKNHZQF-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO CS[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270637732 550291696 /nfs/dbraw/zinc/29/16/96/550291696.db2.gz IFRPFJXFYYHMTH-JKSUJKDBSA-N 1 0 366.487 2.209 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000494005733 561460741 /nfs/dbraw/zinc/46/07/41/561460741.db2.gz CGQCXFHXIGIFNP-HIFRSBDPSA-N 1 0 357.414 2.204 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000270973279 550327205 /nfs/dbraw/zinc/32/72/05/550327205.db2.gz UFJWCUZTDJEDLX-HIFRSBDPSA-N 1 0 357.414 2.111 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000271337672 550366374 /nfs/dbraw/zinc/36/63/74/550366374.db2.gz ZVODZRARDBJFLQ-IBGZPJMESA-N 1 0 367.453 2.386 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000271337673 550366415 /nfs/dbraw/zinc/36/64/15/550366415.db2.gz ZVODZRARDBJFLQ-LJQANCHMSA-N 1 0 367.453 2.386 20 5 FEBDRO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000271435664 550375114 /nfs/dbraw/zinc/37/51/14/550375114.db2.gz SJQSVTGYTGGKOG-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272262675 550432179 /nfs/dbraw/zinc/43/21/79/550432179.db2.gz AVIMHEJZYXSGQR-ZBEGNZNMSA-N 1 0 356.382 2.015 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324370 550437890 /nfs/dbraw/zinc/43/78/90/550437890.db2.gz MIJWYXFLTDCPNT-YOEHRIQHSA-N 1 0 371.441 2.127 20 5 FEBDRO COc1cc(CN2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272337638 550439030 /nfs/dbraw/zinc/43/90/30/550439030.db2.gz XYEWDBPOPIAULU-UHFFFAOYSA-N 1 0 359.373 2.385 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC([NH+]2CCCCC2)CC1 ZINC000272367565 550441547 /nfs/dbraw/zinc/44/15/47/550441547.db2.gz GEONPZUPHVFLQF-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO Cc1nc(CN2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)no1 ZINC000272797542 550471409 /nfs/dbraw/zinc/47/14/09/550471409.db2.gz DEIPZNYUMHQATH-UHFFFAOYSA-N 1 0 368.397 2.465 20 5 FEBDRO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000272891307 550475607 /nfs/dbraw/zinc/47/56/07/550475607.db2.gz AQGWFQPJXVQKGX-INIZCTEOSA-N 1 0 374.393 2.253 20 5 FEBDRO COc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000273092526 550484694 /nfs/dbraw/zinc/48/46/94/550484694.db2.gz BJARRIOMSMOGKX-AWEZNQCLSA-N 1 0 362.382 2.181 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273374915 550496178 /nfs/dbraw/zinc/49/61/78/550496178.db2.gz HMRMGHSTICEIFR-TXEJJXNPSA-N 1 0 354.382 2.355 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379404 550496348 /nfs/dbraw/zinc/49/63/48/550496348.db2.gz HGTKZWXJHMBNDG-JQWIXIFHSA-N 1 0 356.220 2.491 20 5 FEBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)N1 ZINC000273800715 550511940 /nfs/dbraw/zinc/51/19/40/550511940.db2.gz WYSFFUJJOCSKMN-UHFFFAOYSA-N 1 0 370.365 2.029 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000273917091 550515788 /nfs/dbraw/zinc/51/57/88/550515788.db2.gz JHTIKUIHSWQJMJ-UHFFFAOYSA-N 1 0 359.835 2.097 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277021698 550622893 /nfs/dbraw/zinc/62/28/93/550622893.db2.gz ANKDJCSZEAGWGN-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000277040558 550625015 /nfs/dbraw/zinc/62/50/15/550625015.db2.gz PBEVCDUPCWPFSS-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277433135 550669852 /nfs/dbraw/zinc/66/98/52/550669852.db2.gz GMWIIMVDMYVOJD-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277492547 550676952 /nfs/dbraw/zinc/67/69/52/550676952.db2.gz NVFUBVHTAWGPNW-OAHLLOKOSA-N 1 0 353.444 2.031 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277760723 550711041 /nfs/dbraw/zinc/71/10/41/550711041.db2.gz KGGCYRZGJUDKPJ-UHFFFAOYSA-N 1 0 374.445 2.391 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277824940 550718594 /nfs/dbraw/zinc/71/85/94/550718594.db2.gz YQCPIRSDTIAJSO-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+]1CCN(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000277864401 550723041 /nfs/dbraw/zinc/72/30/41/550723041.db2.gz KADCUHSOXWBWFT-UHFFFAOYSA-N 1 0 364.449 2.071 20 5 FEBDRO COc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278014176 550739133 /nfs/dbraw/zinc/73/91/33/550739133.db2.gz YTBROPOOECNHJL-UHFFFAOYSA-N 1 0 362.430 2.277 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000278632095 550806128 /nfs/dbraw/zinc/80/61/28/550806128.db2.gz OGTYKEJZQQXTJH-QWRGUYRKSA-N 1 0 356.810 2.167 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000278632092 550806196 /nfs/dbraw/zinc/80/61/96/550806196.db2.gz OGTYKEJZQQXTJH-MNOVXSKESA-N 1 0 356.810 2.167 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1 ZINC000278633381 550806402 /nfs/dbraw/zinc/80/64/02/550806402.db2.gz FQSJNNKUHMKCLH-ONERCXAPSA-N 1 0 371.821 2.359 20 5 FEBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251537 561485625 /nfs/dbraw/zinc/48/56/25/561485625.db2.gz WKCZGMUXPRNYPS-ACJLOTCBSA-N 1 0 363.414 2.376 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCN1CCc2sccc2C1 ZINC000279199438 550864065 /nfs/dbraw/zinc/86/40/65/550864065.db2.gz KTYBLFWRRUOEPH-UHFFFAOYSA-N 1 0 364.402 2.166 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@@H+]1C1CC1 ZINC000279367793 550882121 /nfs/dbraw/zinc/88/21/21/550882121.db2.gz GQNPVIXWTSRQPC-MNOVXSKESA-N 1 0 350.394 2.155 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251004 550974389 /nfs/dbraw/zinc/97/43/89/550974389.db2.gz BXXDEGBXXNAZIM-IYOUNJFTSA-N 1 0 363.414 2.110 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280649995 551017382 /nfs/dbraw/zinc/01/73/82/551017382.db2.gz SKAUGSIOZAIBKL-IYBDPMFKSA-N 1 0 366.421 2.381 20 5 FEBDRO CCC(=O)c1ccc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)c([N+](=O)[O-])c1 ZINC000280743219 551027501 /nfs/dbraw/zinc/02/75/01/551027501.db2.gz OPMYZMWCQQJQBN-INIZCTEOSA-N 1 0 360.458 2.404 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281075441 551060941 /nfs/dbraw/zinc/06/09/41/551060941.db2.gz UBKZRJRZDATZPK-IAGOWNOFSA-N 1 0 373.409 2.021 20 5 FEBDRO NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000281316310 551084039 /nfs/dbraw/zinc/08/40/39/551084039.db2.gz ZLQFMEGENWRBHE-SJKOYZFVSA-N 1 0 369.425 2.120 20 5 FEBDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000281889448 551153495 /nfs/dbraw/zinc/15/34/95/551153495.db2.gz STDVAYSDRLLBSD-AWEZNQCLSA-N 1 0 360.418 2.460 20 5 FEBDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894510 551154630 /nfs/dbraw/zinc/15/46/30/551154630.db2.gz BDHFHVFOSKPTNH-DCGLDWPTSA-N 1 0 361.398 2.197 20 5 FEBDRO COc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000282370272 551218777 /nfs/dbraw/zinc/21/87/77/551218777.db2.gz YCHPRVHFQAHSQL-CYBMUJFWSA-N 1 0 353.394 2.291 20 5 FEBDRO C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284139859 551491034 /nfs/dbraw/zinc/49/10/34/551491034.db2.gz ORMBFVUKJXLJBF-CYBMUJFWSA-N 1 0 357.414 2.259 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000284548500 551575282 /nfs/dbraw/zinc/57/52/82/551575282.db2.gz PKLMXJHWIZZDRX-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000284780167 551631400 /nfs/dbraw/zinc/63/14/00/551631400.db2.gz UMFAUBCCBWQICX-PHIMTYICSA-N 1 0 368.231 2.299 20 5 FEBDRO O=c1cc(C[N@H+]2CC[C@](O)(c3cn[nH]n3)C2)c2c(ccc3ccccc32)o1 ZINC000284889167 551659299 /nfs/dbraw/zinc/65/92/99/551659299.db2.gz SYASCDSKXSGOTO-HXUWFJFHSA-N 1 0 362.389 2.158 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285165481 551714060 /nfs/dbraw/zinc/71/40/60/551714060.db2.gz ATCPQXFBELHSDJ-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285347114 551741725 /nfs/dbraw/zinc/74/17/25/551741725.db2.gz PGPYIBBMSJZKOW-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285347107 551741754 /nfs/dbraw/zinc/74/17/54/551741754.db2.gz PGPYIBBMSJZKOW-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359174 551743650 /nfs/dbraw/zinc/74/36/50/551743650.db2.gz QDPDKKPJYGPAQK-PBHICJAKSA-N 1 0 367.471 2.026 20 5 FEBDRO CCOC1CC2(C1)CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285560399 551774744 /nfs/dbraw/zinc/77/47/44/551774744.db2.gz SMZIIYJGWGCNSH-ZLPCBKJTSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285578437 551777642 /nfs/dbraw/zinc/77/76/42/551777642.db2.gz OFEPLZYPBCZZMA-PBHICJAKSA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888046 551823577 /nfs/dbraw/zinc/82/35/77/551823577.db2.gz JVSLXEFWAMOBBU-ZMSDIMECSA-N 1 0 352.431 2.350 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000285917175 551827067 /nfs/dbraw/zinc/82/70/67/551827067.db2.gz SSKZBQYEZHRBHD-STQMWFEESA-N 1 0 351.378 2.198 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)([NH3+])Cc2ccc(OC)cc2)n1 ZINC000286122850 551851112 /nfs/dbraw/zinc/85/11/12/551851112.db2.gz GVCAMCXUBFEAQN-GOSISDBHSA-N 1 0 374.397 2.157 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000286255562 551866186 /nfs/dbraw/zinc/86/61/86/551866186.db2.gz FDQUSTJXEVKECV-UHFFFAOYSA-N 1 0 372.853 2.207 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616926 551906460 /nfs/dbraw/zinc/90/64/60/551906460.db2.gz RVEALCTVWJEQCQ-JQWIXIFHSA-N 1 0 363.292 2.496 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1F ZINC000286720369 551918460 /nfs/dbraw/zinc/91/84/60/551918460.db2.gz NGCUHBHBKRZJMG-OCCSQVGLSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286828950 551930463 /nfs/dbraw/zinc/93/04/63/551930463.db2.gz LBSCHTHQRQIJPC-XJKSGUPXSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286828948 551930552 /nfs/dbraw/zinc/93/05/52/551930552.db2.gz LBSCHTHQRQIJPC-CJNGLKHVSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286878416 551935644 /nfs/dbraw/zinc/93/56/44/551935644.db2.gz ZDQWZEZACGBUGT-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343664 552137372 /nfs/dbraw/zinc/13/73/72/552137372.db2.gz JYHYPHYAGVDPSI-CHWSQXEVSA-N 1 0 364.421 2.499 20 5 FEBDRO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC[NH+]2CCCCC2)C1=O ZINC000288601123 552182771 /nfs/dbraw/zinc/18/27/71/552182771.db2.gz MQJSNBJLWUZUDO-GOSISDBHSA-N 1 0 360.414 2.238 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000500155192 561566919 /nfs/dbraw/zinc/56/69/19/561566919.db2.gz JHMOEGSINZKQKH-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000289104985 552267195 /nfs/dbraw/zinc/26/71/95/552267195.db2.gz CKMWNHZGPXRBEO-JOCQHMNTSA-N 1 0 365.430 2.497 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000289648879 552355704 /nfs/dbraw/zinc/35/57/04/552355704.db2.gz DGKITUSVBNVVDL-AWEZNQCLSA-N 1 0 362.430 2.343 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290190268 552440834 /nfs/dbraw/zinc/44/08/34/552440834.db2.gz QHGGCKXYXNFWHY-DTWKUNHWSA-N 1 0 372.194 2.178 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290315568 552459060 /nfs/dbraw/zinc/45/90/60/552459060.db2.gz GKJFGJOZNYIBFQ-GFCCVEGCSA-N 1 0 350.419 2.078 20 5 FEBDRO NC(=O)c1ccnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000290492532 552487920 /nfs/dbraw/zinc/48/79/20/552487920.db2.gz JLFJDICPMGSWHJ-HNNXBMFYSA-N 1 0 355.398 2.338 20 5 FEBDRO C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000290539490 552495261 /nfs/dbraw/zinc/49/52/61/552495261.db2.gz DYRYQYCZHSHPBG-JSGCOSHPSA-N 1 0 355.398 2.164 20 5 FEBDRO CC(=O)NC1CCC([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501008788 561587659 /nfs/dbraw/zinc/58/76/59/561587659.db2.gz VPGNOUPHYNZVNZ-UHFFFAOYSA-N 1 0 362.430 2.303 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291028482 552577798 /nfs/dbraw/zinc/57/77/98/552577798.db2.gz BCMZRJLEJROQSM-AWEZNQCLSA-N 1 0 366.368 2.445 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291085022 552585313 /nfs/dbraw/zinc/58/53/13/552585313.db2.gz HBCSRJBXHBQBBG-AWEZNQCLSA-N 1 0 353.423 2.026 20 5 FEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262850 552607605 /nfs/dbraw/zinc/60/76/05/552607605.db2.gz XEQGBSCIYUSLAF-UBDQQSCGSA-N 1 0 363.458 2.408 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292060335 552689301 /nfs/dbraw/zinc/68/93/01/552689301.db2.gz OPJGGSYYVGGMDZ-AWEZNQCLSA-N 1 0 367.471 2.231 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292097332 552693538 /nfs/dbraw/zinc/69/35/38/552693538.db2.gz TZUOIGOOILZVCG-LBPRGKRZSA-N 1 0 371.434 2.229 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000292148419 552698615 /nfs/dbraw/zinc/69/86/15/552698615.db2.gz UBHZLZOEMDQGCR-VIFPVBQESA-N 1 0 361.345 2.452 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501481323 561598452 /nfs/dbraw/zinc/59/84/52/561598452.db2.gz BEBOUOAZUZXPRW-UHFFFAOYSA-N 1 0 365.356 2.065 20 5 FEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000501486806 561598532 /nfs/dbraw/zinc/59/85/32/561598532.db2.gz VESOKULBKTXKAR-CYBMUJFWSA-N 1 0 373.413 2.301 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000501359766 561595940 /nfs/dbraw/zinc/59/59/40/561595940.db2.gz IZARWXZYUODZGH-JTQLQIEISA-N 1 0 373.356 2.229 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000292843514 552763920 /nfs/dbraw/zinc/76/39/20/552763920.db2.gz CKBQORMWHQBIOX-KOLCDFICSA-N 1 0 371.340 2.029 20 5 FEBDRO CC(C)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCC1 ZINC000293032126 552782415 /nfs/dbraw/zinc/78/24/15/552782415.db2.gz LJFNKHYKHSNFGQ-SFHVURJKSA-N 1 0 361.442 2.261 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000294014927 552875409 /nfs/dbraw/zinc/87/54/09/552875409.db2.gz YRDPUQCKEFENMY-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000296012659 553089402 /nfs/dbraw/zinc/08/94/02/553089402.db2.gz LHGXYFKSMSUMPE-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC(C)(C)[C@H]2c2nccn2C)c1[N+](=O)[O-] ZINC000296384711 553151061 /nfs/dbraw/zinc/15/10/61/553151061.db2.gz ULECGMDYQKASDW-CYBMUJFWSA-N 1 0 359.386 2.406 20 5 FEBDRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296451437 553161933 /nfs/dbraw/zinc/16/19/33/553161933.db2.gz VKLBEWOMUNOCOZ-AWEZNQCLSA-N 1 0 350.419 2.067 20 5 FEBDRO COC(=O)C1(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000296771567 553209430 /nfs/dbraw/zinc/20/94/30/553209430.db2.gz RKYGDKOJCLZSFX-ZDUSSCGKSA-N 1 0 363.414 2.238 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000296795671 553212925 /nfs/dbraw/zinc/21/29/25/553212925.db2.gz DQXFHDVEEOZDOF-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297288902 553274220 /nfs/dbraw/zinc/27/42/20/553274220.db2.gz XWFCWMXZZKNECZ-QGZVFWFLSA-N 1 0 355.442 2.359 20 5 FEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000297379758 553285179 /nfs/dbraw/zinc/28/51/79/553285179.db2.gz MTXBQTMEPHOCPC-QMMMGPOBSA-N 1 0 360.183 2.307 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000297768950 553336602 /nfs/dbraw/zinc/33/66/02/553336602.db2.gz LWEMOEKDNCUAMO-RISCZKNCSA-N 1 0 351.378 2.299 20 5 FEBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297776002 553337419 /nfs/dbraw/zinc/33/74/19/553337419.db2.gz GKTGOOYTMQPEMB-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000297923805 553358167 /nfs/dbraw/zinc/35/81/67/553358167.db2.gz QSAARPPZMVPUDA-CQSZACIVSA-N 1 0 362.430 2.141 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000298098712 553383663 /nfs/dbraw/zinc/38/36/63/553383663.db2.gz LFQVLAWBLCNLBN-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000503452815 561641882 /nfs/dbraw/zinc/64/18/82/561641882.db2.gz IDUGWWWTAFKXAM-YOEHRIQHSA-N 1 0 369.487 2.272 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000298435627 553424659 /nfs/dbraw/zinc/42/46/59/553424659.db2.gz XLXLMXUTNJBPSG-UHFFFAOYSA-N 1 0 371.459 2.097 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000298790659 553473465 /nfs/dbraw/zinc/47/34/65/553473465.db2.gz RXERTQHGRYMSMO-UHFFFAOYSA-N 1 0 371.409 2.173 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000298828548 553478393 /nfs/dbraw/zinc/47/83/93/553478393.db2.gz GUIRTWUZKAUHHO-LSDHHAIUSA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000299374876 553554740 /nfs/dbraw/zinc/55/47/40/553554740.db2.gz SDMUGGUBLRVRAJ-UONOGXRCSA-N 1 0 362.430 2.139 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427812 553561713 /nfs/dbraw/zinc/56/17/13/553561713.db2.gz XJPSPZFMWKIITI-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000299583293 553584385 /nfs/dbraw/zinc/58/43/85/553584385.db2.gz RKPMQQGUFGHBLC-CQSZACIVSA-N 1 0 361.446 2.037 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302884 561655991 /nfs/dbraw/zinc/65/59/91/561655991.db2.gz PXLWLGQYSTXSDP-CVEARBPZSA-N 1 0 373.457 2.053 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000301062561 553618346 /nfs/dbraw/zinc/61/83/46/553618346.db2.gz ALAGFAZCRWXKOZ-UHFFFAOYSA-N 1 0 368.437 2.319 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301230291 553633202 /nfs/dbraw/zinc/63/32/02/553633202.db2.gz FBQRGIPPTMFOGD-JTQLQIEISA-N 1 0 363.386 2.345 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000301346635 553643837 /nfs/dbraw/zinc/64/38/37/553643837.db2.gz JZALEGNQSMPPJN-GFCCVEGCSA-N 1 0 352.391 2.082 20 5 FEBDRO C[C@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301444607 553652192 /nfs/dbraw/zinc/65/21/92/553652192.db2.gz VEXYYXPCXGUPCG-ZFWWWQNUSA-N 1 0 371.441 2.478 20 5 FEBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000505067912 561665750 /nfs/dbraw/zinc/66/57/50/561665750.db2.gz HHBZOJBZLBBRGA-MRXNPFEDSA-N 1 0 374.441 2.373 20 5 FEBDRO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@@H+]1CCc2ccccc2C1 ZINC000301922558 553691918 /nfs/dbraw/zinc/69/19/18/553691918.db2.gz LJMHEWYCGYYGAV-ZDUSSCGKSA-N 1 0 352.398 2.496 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302136064 553706271 /nfs/dbraw/zinc/70/62/71/553706271.db2.gz MKWYKDAKHBCZOM-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO COc1cc(C(=O)NCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000505357756 561669947 /nfs/dbraw/zinc/66/99/47/561669947.db2.gz OWUKJFYSKGLGJZ-UHFFFAOYSA-N 1 0 373.356 2.276 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000324971903 553774490 /nfs/dbraw/zinc/77/44/90/553774490.db2.gz OCNOWNISEBIKAX-DZGCQCFKSA-N 1 0 353.444 2.198 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000330440853 554122315 /nfs/dbraw/zinc/12/23/15/554122315.db2.gz OVCNLDCCWQYZCH-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000330925454 554189585 /nfs/dbraw/zinc/18/95/85/554189585.db2.gz UUCWCDSGQNQPTJ-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000331589176 554290329 /nfs/dbraw/zinc/29/03/29/554290329.db2.gz XQFZYQFGFYIYDU-SECBINFHSA-N 1 0 354.204 2.324 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331877367 554336785 /nfs/dbraw/zinc/33/67/85/554336785.db2.gz HWWAUELJMBXNTI-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000331941920 554349685 /nfs/dbraw/zinc/34/96/85/554349685.db2.gz OEVHKUDRNKYIHT-OLZOCXBDSA-N 1 0 357.414 2.160 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1C ZINC000331942790 554349784 /nfs/dbraw/zinc/34/97/84/554349784.db2.gz OJCBCNBSECCISL-BETUJISGSA-N 1 0 357.414 2.160 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C ZINC000332099725 554380233 /nfs/dbraw/zinc/38/02/33/554380233.db2.gz YDKJFQYBODWYRA-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000332107837 554381935 /nfs/dbraw/zinc/38/19/35/554381935.db2.gz ZYDHARYODNMEIT-GOEBONIOSA-N 1 0 365.455 2.255 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000332243477 554408278 /nfs/dbraw/zinc/40/82/78/554408278.db2.gz AGJBHKOPODDUFR-STQMWFEESA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253768 554411079 /nfs/dbraw/zinc/41/10/79/554411079.db2.gz YNXTWCCIRPGQOQ-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332472569 554452576 /nfs/dbraw/zinc/45/25/76/554452576.db2.gz KLDDFOQOLJVKQF-KGLIPLIRSA-N 1 0 362.430 2.101 20 5 FEBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000510467031 561835547 /nfs/dbraw/zinc/83/55/47/561835547.db2.gz FNRJOLBMOPWIQV-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000511253428 561862794 /nfs/dbraw/zinc/86/27/94/561862794.db2.gz SMJRXSXHHLLRRT-UHFFFAOYSA-N 1 0 369.487 2.275 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956432 554857215 /nfs/dbraw/zinc/85/72/15/554857215.db2.gz KSYVRFDCKIDOLT-KGLIPLIRSA-N 1 0 361.423 2.403 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956430 554857491 /nfs/dbraw/zinc/85/74/91/554857491.db2.gz KSYVRFDCKIDOLT-KBPBESRZSA-N 1 0 361.423 2.403 20 5 FEBDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)c1 ZINC000359975311 554858399 /nfs/dbraw/zinc/85/83/99/554858399.db2.gz QTZHEMCVOFELJN-UHFFFAOYSA-N 1 0 369.425 2.275 20 5 FEBDRO C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000362165976 554953504 /nfs/dbraw/zinc/95/35/04/554953504.db2.gz YZBZXAMKSAIWJA-AWEZNQCLSA-N 1 0 370.409 2.363 20 5 FEBDRO Cc1cc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1 ZINC000362282545 554960498 /nfs/dbraw/zinc/96/04/98/554960498.db2.gz PPRVZXCLFUEZHE-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363219411 555056711 /nfs/dbraw/zinc/05/67/11/555056711.db2.gz RPLSUGIGXCDKRD-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363259328 555066507 /nfs/dbraw/zinc/06/65/07/555066507.db2.gz NCHXNLKKUPHLNY-SQWLQELKSA-N 1 0 365.455 2.008 20 5 FEBDRO Cc1cnn(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000363667529 555159268 /nfs/dbraw/zinc/15/92/68/555159268.db2.gz WZYBYLMFWDFNHE-QGZVFWFLSA-N 1 0 360.414 2.177 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000363871215 555203604 /nfs/dbraw/zinc/20/36/04/555203604.db2.gz AHPYMJAACARRTB-UHFFFAOYSA-N 1 0 369.425 2.164 20 5 FEBDRO Cc1c(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364181181 555264520 /nfs/dbraw/zinc/26/45/20/555264520.db2.gz KKQCKEAOEXIPHM-WMLDXEAASA-N 1 0 362.386 2.463 20 5 FEBDRO C[C@@H]1C[NH+](CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1 ZINC000364229617 555274668 /nfs/dbraw/zinc/27/46/68/555274668.db2.gz NSYODBQLBYBQIH-HUUCEWRRSA-N 1 0 365.478 2.040 20 5 FEBDRO C[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000364251979 555278798 /nfs/dbraw/zinc/27/87/98/555278798.db2.gz BPBATFIWMVIMJZ-UHFFFAOYSA-N 1 0 361.320 2.117 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000364956819 555449785 /nfs/dbraw/zinc/44/97/85/555449785.db2.gz QBECPTZCPUPANC-OAHLLOKOSA-N 1 0 369.425 2.214 20 5 FEBDRO O=C(N[C@H]1CCc2nc[nH]c2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205698 555510667 /nfs/dbraw/zinc/51/06/67/555510667.db2.gz SYAIHFHEWBSYQG-LURJTMIESA-N 1 0 371.216 2.429 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365207160 555510999 /nfs/dbraw/zinc/51/09/99/555510999.db2.gz KNUDSVLLHYSFSA-AWEZNQCLSA-N 1 0 366.487 2.064 20 5 FEBDRO CN(CCC[NH+]1CCCC1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000513051231 561923527 /nfs/dbraw/zinc/92/35/27/561923527.db2.gz KBUFZIHRDUBJRW-UHFFFAOYSA-N 1 0 362.474 2.349 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365540090 555603301 /nfs/dbraw/zinc/60/33/01/555603301.db2.gz QQHGUUIZXSUSGI-XCRHUMRWSA-N 1 0 358.442 2.217 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000365696148 555642937 /nfs/dbraw/zinc/64/29/37/555642937.db2.gz REBWPLPDKVEMBL-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365753225 555659950 /nfs/dbraw/zinc/65/99/50/555659950.db2.gz KFWJHQNOFBHWKY-GJZGRUSLSA-N 1 0 366.466 2.258 20 5 FEBDRO COc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc2c1OCCO2 ZINC000365979086 555716104 /nfs/dbraw/zinc/71/61/04/555716104.db2.gz BQSQAGFWDKXAIG-UHFFFAOYSA-N 1 0 374.397 2.408 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000513568072 561943288 /nfs/dbraw/zinc/94/32/88/561943288.db2.gz KBYAFBAUUXWPOT-UHFFFAOYSA-N 1 0 359.373 2.085 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366507530 555862493 /nfs/dbraw/zinc/86/24/93/555862493.db2.gz JIZOPVLGQLSPSL-IINYFYTJSA-N 1 0 372.347 2.236 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000366989232 555990223 /nfs/dbraw/zinc/99/02/23/555990223.db2.gz OETWFSINXHEWLC-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000367331802 556020394 /nfs/dbraw/zinc/02/03/94/556020394.db2.gz HFGSROQIXFSHIH-IBGZPJMESA-N 1 0 356.426 2.250 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000367652114 556105857 /nfs/dbraw/zinc/10/58/57/556105857.db2.gz AJDRTCNZLCETGK-HOCLYGCPSA-N 1 0 369.425 2.385 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674193 556110963 /nfs/dbraw/zinc/11/09/63/556110963.db2.gz UNWUHVWETUYCHG-OAHLLOKOSA-N 1 0 373.457 2.195 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000515013773 561992147 /nfs/dbraw/zinc/99/21/47/561992147.db2.gz IDYKTPIWRSDZHH-OKILXGFUSA-N 1 0 357.414 2.335 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072115 556210409 /nfs/dbraw/zinc/21/04/09/556210409.db2.gz IEFBYUVAKAXAIE-LJQANCHMSA-N 1 0 357.410 2.130 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000368359595 556287729 /nfs/dbraw/zinc/28/77/29/556287729.db2.gz CPFFNBXVCYRNSZ-XVTHAXPKSA-N 1 0 358.442 2.025 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000368446157 556311408 /nfs/dbraw/zinc/31/14/08/556311408.db2.gz JIXOFXCCMKBPEZ-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368536260 556338735 /nfs/dbraw/zinc/33/87/35/556338735.db2.gz DWIHNZCPWPKKBS-UHFFFAOYSA-N 1 0 370.409 2.398 20 5 FEBDRO C[N@@H+]1CCCC12CCN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000368611124 556361575 /nfs/dbraw/zinc/36/15/75/556361575.db2.gz HBDUBNCUEBWAGC-QGZVFWFLSA-N 1 0 358.442 2.260 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000515737648 562020752 /nfs/dbraw/zinc/02/07/52/562020752.db2.gz ZUFZWABVJZRHAF-CHWSQXEVSA-N 1 0 355.460 2.302 20 5 FEBDRO CN(C(=O)COc1cccc([N+](=O)[O-])c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368931344 556451491 /nfs/dbraw/zinc/45/14/91/556451491.db2.gz NZYVLXQWNDGDPH-UHFFFAOYSA-N 1 0 370.409 2.496 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000369002178 556473020 /nfs/dbraw/zinc/47/30/20/556473020.db2.gz MRBXVCBGXQKJJY-RYUDHWBXSA-N 1 0 351.432 2.217 20 5 FEBDRO CN(C(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369008232 556474810 /nfs/dbraw/zinc/47/48/10/556474810.db2.gz HQPUFSZVXNECSM-INIZCTEOSA-N 1 0 357.414 2.481 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369069007 556496433 /nfs/dbraw/zinc/49/64/33/556496433.db2.gz YCLWCANHCOPYKN-OAHLLOKOSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000369311409 556571867 /nfs/dbraw/zinc/57/18/67/556571867.db2.gz WBFITPLJPLSULN-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC000369353775 556577704 /nfs/dbraw/zinc/57/77/04/556577704.db2.gz IYSCDLXUBUUEPP-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369531002 556622697 /nfs/dbraw/zinc/62/26/97/556622697.db2.gz JETBDOONRHTCHX-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO CN(C(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000369683369 556667690 /nfs/dbraw/zinc/66/76/90/556667690.db2.gz WZQCOBLEKCRLKS-UHFFFAOYSA-N 1 0 357.414 2.481 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000369715048 556676336 /nfs/dbraw/zinc/67/63/36/556676336.db2.gz OKEKIWAUKKKRMJ-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000369845070 556710880 /nfs/dbraw/zinc/71/08/80/556710880.db2.gz HKSZWCNLYKTFLW-ZXYWRSMDSA-N 1 0 374.441 2.226 20 5 FEBDRO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369994789 556751831 /nfs/dbraw/zinc/75/18/31/556751831.db2.gz IUFIBEYKYCPGBE-KRWDZBQOSA-N 1 0 355.398 2.239 20 5 FEBDRO CC(C)NC(=O)CN1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370192377 556806696 /nfs/dbraw/zinc/80/66/96/556806696.db2.gz HPYHQXAXTSSOFG-UHFFFAOYSA-N 1 0 368.865 2.281 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1F ZINC000370231425 556817277 /nfs/dbraw/zinc/81/72/77/556817277.db2.gz DDJZXJDAFRBLDF-TZMCWYRMSA-N 1 0 371.434 2.195 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c(Cl)c1 ZINC000370605608 556920317 /nfs/dbraw/zinc/92/03/17/556920317.db2.gz BDLSTYZLKZNLSY-SMDDNHRTSA-N 1 0 373.862 2.401 20 5 FEBDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516938186 562066161 /nfs/dbraw/zinc/06/61/61/562066161.db2.gz UAJIPUVXMSWAKY-FUHWJXTLSA-N 1 0 360.458 2.114 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370920150 557015590 /nfs/dbraw/zinc/01/55/90/557015590.db2.gz ZGZSPSCWPRCPOU-KXBFYZLASA-N 1 0 371.441 2.070 20 5 FEBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052990 557058968 /nfs/dbraw/zinc/05/89/68/557058968.db2.gz JUFBBVGYMNENFI-GRDNDAEWSA-N 1 0 369.425 2.255 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000371083581 557069551 /nfs/dbraw/zinc/06/95/51/557069551.db2.gz CQWWGETXCCICAF-BZNIZROVSA-N 1 0 366.805 2.058 20 5 FEBDRO CN1CCC([NH+]2CCC(CCNC(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000371092003 557072794 /nfs/dbraw/zinc/07/27/94/557072794.db2.gz YIPWTURMEALIOG-UHFFFAOYSA-N 1 0 364.446 2.114 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227273 557112339 /nfs/dbraw/zinc/11/23/39/557112339.db2.gz CIQQXWVPVXUXBJ-IAQYHMDHSA-N 1 0 363.805 2.394 20 5 FEBDRO Cc1c(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000371292242 557133948 /nfs/dbraw/zinc/13/39/48/557133948.db2.gz BHDPWKNCMMGCLV-BPQIPLTHSA-N 1 0 361.442 2.156 20 5 FEBDRO C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517853331 562099094 /nfs/dbraw/zinc/09/90/94/562099094.db2.gz OSGQXCRJQXUDPV-CRAIPNDOSA-N 1 0 356.426 2.276 20 5 FEBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000372353599 557448096 /nfs/dbraw/zinc/44/80/96/557448096.db2.gz ANWPTHJVBCYKOH-NVXWUHKLSA-N 1 0 360.458 2.001 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCN1Cc1ccccn1 ZINC000372671694 557534237 /nfs/dbraw/zinc/53/42/37/557534237.db2.gz AJTDRGOZXZNRIK-QGZVFWFLSA-N 1 0 370.409 2.279 20 5 FEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000519596345 562136417 /nfs/dbraw/zinc/13/64/17/562136417.db2.gz CHKVIPORNDEEJH-UHFFFAOYSA-N 1 0 363.414 2.408 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372958064 557597231 /nfs/dbraw/zinc/59/72/31/557597231.db2.gz BPPYEFSJIQHXQW-ZBFHGGJFSA-N 1 0 358.442 2.022 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777568 562143651 /nfs/dbraw/zinc/14/36/51/562143651.db2.gz VWENNSURUXWWBR-DGCLKSJQSA-N 1 0 371.384 2.289 20 5 FEBDRO CC1CCC([NH+]2CCC(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000373103491 557629390 /nfs/dbraw/zinc/62/93/90/557629390.db2.gz GXNKWOHRYQJVNZ-UHFFFAOYSA-N 1 0 362.430 2.468 20 5 FEBDRO CCC(=O)c1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000373546642 557715973 /nfs/dbraw/zinc/71/59/73/557715973.db2.gz IIKAKDWMZQKXAB-MRXNPFEDSA-N 1 0 374.441 2.106 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000373607486 557728411 /nfs/dbraw/zinc/72/84/11/557728411.db2.gz AOKPKUINOPYECP-WMZOPIPTSA-N 1 0 355.398 2.124 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928648 557789387 /nfs/dbraw/zinc/78/93/87/557789387.db2.gz GGLKQMABWHFHNR-WMLDXEAASA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000374182009 557839414 /nfs/dbraw/zinc/83/94/14/557839414.db2.gz FXYXAISJJYFGPU-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@@H+](C4CCOCC4)CC3)cc2N1 ZINC000374247710 557850001 /nfs/dbraw/zinc/85/00/01/557850001.db2.gz OELJUAYLDUPVFW-UHFFFAOYSA-N 1 0 374.441 2.171 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000374293189 557860032 /nfs/dbraw/zinc/86/00/32/557860032.db2.gz GXTXFMAUPAFEAQ-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374368427 557873095 /nfs/dbraw/zinc/87/30/95/557873095.db2.gz TUQFRPOQHPGVDB-NVXWUHKLSA-N 1 0 350.415 2.083 20 5 FEBDRO O=C(NCC1CCOCC1)[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000374392911 557877836 /nfs/dbraw/zinc/87/78/36/557877836.db2.gz UTWYKTVNNVLWMY-QGZVFWFLSA-N 1 0 365.405 2.241 20 5 FEBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc([N+](=O)[O-])cc3c1OCOC3)C2 ZINC000374644218 557911201 /nfs/dbraw/zinc/91/12/01/557911201.db2.gz GSUIDJBXPWDUMQ-KDOFPFPSSA-N 1 0 362.382 2.236 20 5 FEBDRO Cc1nccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000374809073 557934619 /nfs/dbraw/zinc/93/46/19/557934619.db2.gz HFNHYAOJRNWZBW-UHFFFAOYSA-N 1 0 356.317 2.458 20 5 FEBDRO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375027073 557966563 /nfs/dbraw/zinc/96/65/63/557966563.db2.gz JDMDECWNPWURME-UHFFFAOYSA-N 1 0 370.409 2.352 20 5 FEBDRO O=C1CC[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C2CC2)N1 ZINC000375295544 558005765 /nfs/dbraw/zinc/00/57/65/558005765.db2.gz JASRQCKSVUZHDS-DNVCBOLYSA-N 1 0 370.409 2.439 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466931 558032046 /nfs/dbraw/zinc/03/20/46/558032046.db2.gz XGRBEJDNICYJNE-DZGCQCFKSA-N 1 0 374.397 2.084 20 5 FEBDRO O=C(c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556449 558048133 /nfs/dbraw/zinc/04/81/33/558048133.db2.gz GWTHREZWGCYTHZ-HOTGVXAUSA-N 1 0 374.441 2.106 20 5 FEBDRO Cn1nccc1C1=CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375692247 558068302 /nfs/dbraw/zinc/06/83/02/558068302.db2.gz WIQIYHNRJGQKJA-UHFFFAOYSA-N 1 0 355.398 2.446 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000521583218 562179310 /nfs/dbraw/zinc/17/93/10/562179310.db2.gz OBZRLMALGNECLE-GFCCVEGCSA-N 1 0 368.393 2.138 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000521597322 562179835 /nfs/dbraw/zinc/17/98/35/562179835.db2.gz XXMBNDGNFMHLLB-IEBWSBKVSA-N 1 0 359.426 2.227 20 5 FEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c([N+](=O)[O-])cc1OC ZINC000521611671 562180076 /nfs/dbraw/zinc/18/00/76/562180076.db2.gz SYIJXZWYDFQCFA-NSHDSACASA-N 1 0 372.381 2.075 20 5 FEBDRO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)CCCCC2)CCO1 ZINC000521770338 562183359 /nfs/dbraw/zinc/18/33/59/562183359.db2.gz NUHHREPZWBSLQS-UHFFFAOYSA-N 1 0 364.446 2.466 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000376749048 558216754 /nfs/dbraw/zinc/21/67/54/558216754.db2.gz OAQOFHLZWNHGPY-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000376983042 558248059 /nfs/dbraw/zinc/24/80/59/558248059.db2.gz PSYKWQVOCRXDDK-IRXDYDNUSA-N 1 0 355.394 2.431 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC[NH2+]1 ZINC000377076261 558261012 /nfs/dbraw/zinc/26/10/12/558261012.db2.gz FNVVGOURGNLFAT-HAYUQVRISA-N 1 0 372.469 2.383 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 ZINC000377338010 558318905 /nfs/dbraw/zinc/31/89/05/558318905.db2.gz SDWXDOBQKNVUIX-HNNXBMFYSA-N 1 0 361.423 2.148 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000522137546 562192351 /nfs/dbraw/zinc/19/23/51/562192351.db2.gz RRNFCRGSQQSBAU-SUMWQHHRSA-N 1 0 351.451 2.117 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000522137544 562192360 /nfs/dbraw/zinc/19/23/60/562192360.db2.gz RRNFCRGSQQSBAU-DYVFJYSZSA-N 1 0 351.451 2.117 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377663250 558389886 /nfs/dbraw/zinc/38/98/86/558389886.db2.gz UNJMQHXJJUBKRL-WMLDXEAASA-N 1 0 374.441 2.399 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000378012019 558463078 /nfs/dbraw/zinc/46/30/78/558463078.db2.gz USJOKZVWUBLNRR-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378236341 558508236 /nfs/dbraw/zinc/50/82/36/558508236.db2.gz XNVWOOGMGSUWKQ-WBMJQRKESA-N 1 0 370.409 2.453 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000378318645 558528574 /nfs/dbraw/zinc/52/85/74/558528574.db2.gz XPQMALVRPIYQMM-PKOBYXMFSA-N 1 0 357.410 2.345 20 5 FEBDRO Cc1c(CC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000378364644 558539762 /nfs/dbraw/zinc/53/97/62/558539762.db2.gz CYIYPLMHVPRMTG-HNNXBMFYSA-N 1 0 374.485 2.073 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000378365124 558539993 /nfs/dbraw/zinc/53/99/93/558539993.db2.gz IEXFXPLHAYLHSM-UHFFFAOYSA-N 1 0 362.474 2.230 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649448 562216545 /nfs/dbraw/zinc/21/65/45/562216545.db2.gz OLUBLODWZVOTNX-DZGCQCFKSA-N 1 0 363.414 2.046 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1C ZINC000408337384 558667733 /nfs/dbraw/zinc/66/77/33/558667733.db2.gz UNNKKQGLKAOCCK-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1SC ZINC000524774630 562234544 /nfs/dbraw/zinc/23/45/44/562234544.db2.gz RUPHTYWACNBAOU-NSHDSACASA-N 1 0 353.444 2.397 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000411180569 558849549 /nfs/dbraw/zinc/84/95/49/558849549.db2.gz NIGVFHOVXCSMDB-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000411346692 558881557 /nfs/dbraw/zinc/88/15/57/558881557.db2.gz APYYCWYBWWEQRY-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CC[C@@]1(C)COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411421108 558892010 /nfs/dbraw/zinc/89/20/10/558892010.db2.gz IBRAQHPVAJDAKE-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NC(=O)Nc1ccccc1 ZINC000411479412 558901902 /nfs/dbraw/zinc/90/19/02/558901902.db2.gz MBQFSRVFRDOYQV-UHFFFAOYSA-N 1 0 369.381 2.086 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411630120 558932406 /nfs/dbraw/zinc/93/24/06/558932406.db2.gz DVVZRAFGYJBYEQ-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO COC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411812573 558968052 /nfs/dbraw/zinc/96/80/52/558968052.db2.gz YRVFMRMZYKCJCT-ZDUSSCGKSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCc2c(cnn2C)C1 ZINC000411861874 558978046 /nfs/dbraw/zinc/97/80/46/558978046.db2.gz XWKVSCBIVDIPEF-UHFFFAOYSA-N 1 0 357.414 2.414 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411877198 558981063 /nfs/dbraw/zinc/98/10/63/558981063.db2.gz QPGZNDASHUZGSZ-CJNGLKHVSA-N 1 0 363.414 2.289 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411973293 558997969 /nfs/dbraw/zinc/99/79/69/558997969.db2.gz XBHQQUFLSKNPFJ-IBGZPJMESA-N 1 0 355.394 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1F ZINC000412133901 559016264 /nfs/dbraw/zinc/01/62/64/559016264.db2.gz ZGLKDYLSPQHUGA-QWHCGFSZSA-N 1 0 365.405 2.370 20 5 FEBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159990 559151097 /nfs/dbraw/zinc/15/10/97/559151097.db2.gz XIDMEYPSFWCPHW-MAUKXSAKSA-N 1 0 364.442 2.472 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c(C)cc1[N+](=O)[O-] ZINC000414438063 559164049 /nfs/dbraw/zinc/16/40/49/559164049.db2.gz CRHRSRYGMRWMBC-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000414528030 559170010 /nfs/dbraw/zinc/17/00/10/559170010.db2.gz NUEHYXXCHNYSBV-ZDUSSCGKSA-N 1 0 350.346 2.314 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000527058359 562275086 /nfs/dbraw/zinc/27/50/86/562275086.db2.gz BBSDLXSHWBBTKI-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414760074 559185956 /nfs/dbraw/zinc/18/59/56/559185956.db2.gz PWQVBLDTTQHNLZ-LLVKDONJSA-N 1 0 352.391 2.205 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1OCC(F)F ZINC000414781747 559187263 /nfs/dbraw/zinc/18/72/63/559187263.db2.gz CPTRKOLZCJCONK-MFKMUULPSA-N 1 0 357.357 2.041 20 5 FEBDRO C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414952774 559196791 /nfs/dbraw/zinc/19/67/91/559196791.db2.gz QXSOETPDDSLACY-ZDUSSCGKSA-N 1 0 370.409 2.439 20 5 FEBDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000415216991 559215776 /nfs/dbraw/zinc/21/57/76/559215776.db2.gz UTZWVKDGKYWOLI-ZDUSSCGKSA-N 1 0 370.409 2.254 20 5 FEBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000415384443 559229701 /nfs/dbraw/zinc/22/97/01/559229701.db2.gz TVLRLYURRFEYDY-KRWDZBQOSA-N 1 0 370.409 2.473 20 5 FEBDRO [NH3+]Cc1cc(NC(=O)NCCn2cc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC000415949455 559283919 /nfs/dbraw/zinc/28/39/19/559283919.db2.gz BVAMGOQKLAFZDN-UHFFFAOYSA-N 1 0 372.307 2.091 20 5 FEBDRO C[NH2+]Cc1ccc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000415979004 559286668 /nfs/dbraw/zinc/28/66/68/559286668.db2.gz CPWYJHXCVADPLD-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416384886 559309175 /nfs/dbraw/zinc/30/91/75/559309175.db2.gz OOOKCKWENNIVBN-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417191711 559352231 /nfs/dbraw/zinc/35/22/31/559352231.db2.gz ZTEOUGHGMOHUBS-MRXNPFEDSA-N 1 0 362.430 2.277 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417724424 559374078 /nfs/dbraw/zinc/37/40/78/559374078.db2.gz YQDAZNXTLDBXSF-OAHLLOKOSA-N 1 0 363.462 2.476 20 5 FEBDRO O=C(NCCC[NH2+]Cc1cccnc1)NCCc1ccccc1[N+](=O)[O-] ZINC000417767278 559375739 /nfs/dbraw/zinc/37/57/39/559375739.db2.gz QDFBLDDSKNHNBI-UHFFFAOYSA-N 1 0 357.414 2.011 20 5 FEBDRO CC[C@H](NC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860719 559379767 /nfs/dbraw/zinc/37/97/67/559379767.db2.gz YZFATGXJFHZBQC-JYJNAYRXSA-N 1 0 350.419 2.194 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087227 559389773 /nfs/dbraw/zinc/38/97/73/559389773.db2.gz GKGLAJVKUXXPDS-ONGXEEELSA-N 1 0 360.336 2.492 20 5 FEBDRO O=C(NCCC[NH2+]C1CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418292417 559396621 /nfs/dbraw/zinc/39/66/21/559396621.db2.gz XPHUWCMSBWISOO-UHFFFAOYSA-N 1 0 362.430 2.290 20 5 FEBDRO [NH3+]C1(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCC1 ZINC000418300392 559396815 /nfs/dbraw/zinc/39/68/15/559396815.db2.gz VVJVHPIVYCKASF-UHFFFAOYSA-N 1 0 361.446 2.088 20 5 FEBDRO CCC[NH2+]CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418490322 559403759 /nfs/dbraw/zinc/40/37/59/559403759.db2.gz PKWMOEDMYSQDSQ-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO O=C(NCC1=CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418545934 559405451 /nfs/dbraw/zinc/40/54/51/559405451.db2.gz WOTLXAJVCBVUPK-UHFFFAOYSA-N 1 0 360.414 2.067 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418775483 559415428 /nfs/dbraw/zinc/41/54/28/559415428.db2.gz WNLVKHCQCPFXJJ-AWEZNQCLSA-N 1 0 354.357 2.266 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000420462009 559488753 /nfs/dbraw/zinc/48/87/53/559488753.db2.gz MITFVWZKKNLIAZ-HNNXBMFYSA-N 1 0 363.439 2.444 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000420475529 559489635 /nfs/dbraw/zinc/48/96/35/559489635.db2.gz MPZVQFLEFDTWQO-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO COc1ccccc1[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])[NH+](C)C ZINC000420579820 559492775 /nfs/dbraw/zinc/49/27/75/559492775.db2.gz FSJCEHFYOAQFKP-HNNXBMFYSA-N 1 0 358.398 2.417 20 5 FEBDRO CON1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421204670 559530881 /nfs/dbraw/zinc/53/08/81/559530881.db2.gz FVOXIVOUBLAYQU-JTQLQIEISA-N 1 0 356.810 2.191 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000421766009 559552547 /nfs/dbraw/zinc/55/25/47/559552547.db2.gz BRJHPZRFVNRBCZ-QGZVFWFLSA-N 1 0 374.485 2.454 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000421795426 559553768 /nfs/dbraw/zinc/55/37/68/559553768.db2.gz IGALLTBMDHJSMG-INIZCTEOSA-N 1 0 374.485 2.452 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422011027 559560528 /nfs/dbraw/zinc/56/05/28/559560528.db2.gz CTFRYTLWWTUEIB-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422550214 559594535 /nfs/dbraw/zinc/59/45/35/559594535.db2.gz AQLXASAPPXWAOY-GMTAPVOTSA-N 1 0 361.851 2.242 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422632231 559599008 /nfs/dbraw/zinc/59/90/08/559599008.db2.gz GLLRUQBFTNAFBP-MJBXVCDLSA-N 1 0 364.446 2.237 20 5 FEBDRO O=C(NC1CC[NH2+]CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422690494 559602995 /nfs/dbraw/zinc/60/29/95/559602995.db2.gz GMQNLMZCZITQRA-UHFFFAOYSA-N 1 0 357.360 2.441 20 5 FEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422731224 559604801 /nfs/dbraw/zinc/60/48/01/559604801.db2.gz NFLBLUWVBNOYTB-LLVKDONJSA-N 1 0 357.360 2.441 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081616 559618003 /nfs/dbraw/zinc/61/80/03/559618003.db2.gz DJMZHQFRFMHSML-GJZGRUSLSA-N 1 0 359.348 2.470 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000424078925 559654028 /nfs/dbraw/zinc/65/40/28/559654028.db2.gz RENAYIQRGCZIIC-SJCJKPOMSA-N 1 0 371.441 2.327 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000424239139 559659076 /nfs/dbraw/zinc/65/90/76/559659076.db2.gz LQRANENGONPCBH-AWEZNQCLSA-N 1 0 372.381 2.198 20 5 FEBDRO C[C@@H]1CC2(CN1C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)CC[NH2+]CC2 ZINC000424246201 559659209 /nfs/dbraw/zinc/65/92/09/559659209.db2.gz VGOWSKKUCOQERZ-CQSZACIVSA-N 1 0 369.425 2.385 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000424309594 559661157 /nfs/dbraw/zinc/66/11/57/559661157.db2.gz AVDBQUDKYQFHSH-NEPJUHHUSA-N 1 0 351.428 2.203 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425059278 559685781 /nfs/dbraw/zinc/68/57/81/559685781.db2.gz RAAYEJONVDXWDH-MEDUHNTESA-N 1 0 356.382 2.015 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000426840984 559742729 /nfs/dbraw/zinc/74/27/29/559742729.db2.gz SKETWGAOQOWPTE-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000427114908 559748215 /nfs/dbraw/zinc/74/82/15/559748215.db2.gz RSSXHKJXHROREV-AAEUAGOBSA-N 1 0 371.384 2.431 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988669 559787544 /nfs/dbraw/zinc/78/75/44/559787544.db2.gz AKLUWSOZYNPPCB-ZRGWGRIASA-N 1 0 372.469 2.146 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018054 559788819 /nfs/dbraw/zinc/78/88/19/559788819.db2.gz HJLRYJNQJDXQBA-VKJFTORMSA-N 1 0 372.469 2.146 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026765 559789261 /nfs/dbraw/zinc/78/92/61/559789261.db2.gz AATDBSVGTXXMFX-WTLGNFPFSA-N 1 0 372.469 2.362 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429236837 559793497 /nfs/dbraw/zinc/79/34/97/559793497.db2.gz MSGQXQOUHDULMK-WCQYABFASA-N 1 0 371.393 2.393 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430592188 559823907 /nfs/dbraw/zinc/82/39/07/559823907.db2.gz LXNSQGFVVILMLD-AWEZNQCLSA-N 1 0 364.446 2.060 20 5 FEBDRO CCN1CC[NH+]([C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432339343 559856697 /nfs/dbraw/zinc/85/66/97/559856697.db2.gz YXZVXTIRQPGKCD-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000432516016 559860127 /nfs/dbraw/zinc/86/01/27/559860127.db2.gz VIPFUHHVHMWGNV-CABZTGNLSA-N 1 0 361.320 2.264 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000434000405 559892413 /nfs/dbraw/zinc/89/24/13/559892413.db2.gz ZRVVLHMLAMFCGA-AEFFLSMTSA-N 1 0 357.414 2.229 20 5 FEBDRO C[C@@H](O)C[N@H+](C)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436397900 559941187 /nfs/dbraw/zinc/94/11/87/559941187.db2.gz QVYDHXGJDMXSJY-SNVBAGLBSA-N 1 0 362.352 2.290 20 5 FEBDRO O=C(NCCNc1cc[nH+]cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000439041827 559987605 /nfs/dbraw/zinc/98/76/05/559987605.db2.gz RWVAPFFXKNKJOG-UHFFFAOYSA-N 1 0 354.288 2.272 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000439159342 559989334 /nfs/dbraw/zinc/98/93/34/559989334.db2.gz XGFXWPZFHZRGDS-ZMSDIMECSA-N 1 0 350.415 2.083 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000443361659 560081854 /nfs/dbraw/zinc/08/18/54/560081854.db2.gz YUHABBVLLSQGDF-UONOGXRCSA-N 1 0 362.430 2.173 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000443712548 560090934 /nfs/dbraw/zinc/09/09/34/560090934.db2.gz WNYAADWRRLHNCC-ZIAGYGMSSA-N 1 0 355.460 2.277 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444635399 560117298 /nfs/dbraw/zinc/11/72/98/560117298.db2.gz BARLMQZNUQLTMJ-HNNXBMFYSA-N 1 0 361.446 2.404 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661146 560117831 /nfs/dbraw/zinc/11/78/31/560117831.db2.gz HBHWVASFCBWQDL-DQYPLSBCSA-N 1 0 359.430 2.155 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445074955 560128207 /nfs/dbraw/zinc/12/82/07/560128207.db2.gz WZYNBUIRBSCXIW-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000445078943 560128358 /nfs/dbraw/zinc/12/83/58/560128358.db2.gz QNYJMQZYUAIVHQ-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447567905 560164553 /nfs/dbraw/zinc/16/45/53/560164553.db2.gz FVGPAFRHHNGMNY-XHSDSOJGSA-N 1 0 373.461 2.267 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447928040 560173523 /nfs/dbraw/zinc/17/35/23/560173523.db2.gz CRDVKCCTNGXPQP-OAHLLOKOSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448317476 560183942 /nfs/dbraw/zinc/18/39/42/560183942.db2.gz IFZIIOZNQAGKRF-OAHLLOKOSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448691403 560194650 /nfs/dbraw/zinc/19/46/50/560194650.db2.gz QGNNFGIJEDGPDC-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1F ZINC000449145069 560218010 /nfs/dbraw/zinc/21/80/10/560218010.db2.gz VSEDBGNQQCMUEN-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000449322643 560225004 /nfs/dbraw/zinc/22/50/04/560225004.db2.gz YNJFSMMVDSEBEZ-UKRRQHHQSA-N 1 0 367.471 2.072 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000449323332 560225410 /nfs/dbraw/zinc/22/54/10/560225410.db2.gz UKHDPLUFKPCJIF-MIGBEJBISA-N 1 0 374.485 2.199 20 5 FEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449463133 560231206 /nfs/dbraw/zinc/23/12/06/560231206.db2.gz WNEXJQBMUCNUHW-RHSMWYFYSA-N 1 0 360.414 2.136 20 5 FEBDRO COc1ccc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000449557230 560233431 /nfs/dbraw/zinc/23/34/31/560233431.db2.gz VEPCLKXJZHLDDT-MRXNPFEDSA-N 1 0 354.428 2.004 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449634429 560235111 /nfs/dbraw/zinc/23/51/11/560235111.db2.gz AIDGZONSHSEXLN-NEPJUHHUSA-N 1 0 351.403 2.249 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449658128 560235830 /nfs/dbraw/zinc/23/58/30/560235830.db2.gz AGZKPBRYUFNZNF-SNVBAGLBSA-N 1 0 353.247 2.341 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000449689895 560237043 /nfs/dbraw/zinc/23/70/43/560237043.db2.gz MASXLOVBWOCNIG-QWHCGFSZSA-N 1 0 363.414 2.074 20 5 FEBDRO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449786270 560240095 /nfs/dbraw/zinc/24/00/95/560240095.db2.gz MKRILKCIZGFRTC-HNNXBMFYSA-N 1 0 365.430 2.061 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450361396 560259959 /nfs/dbraw/zinc/25/99/59/560259959.db2.gz NPIYXFGLVKVYAC-ZDUSSCGKSA-N 1 0 360.414 2.045 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000450701337 560270864 /nfs/dbraw/zinc/27/08/64/560270864.db2.gz VZEANMHTGGSJNX-DYVFJYSZSA-N 1 0 355.398 2.151 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000451302251 560299033 /nfs/dbraw/zinc/29/90/33/560299033.db2.gz KDCQGLVUXZLNTC-BMFZPTHFSA-N 1 0 374.397 2.007 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451490235 560310092 /nfs/dbraw/zinc/31/00/92/560310092.db2.gz LLDVRNXPCFWRTD-XKQJLSEDSA-N 1 0 373.409 2.440 20 5 FEBDRO O=C(CC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882283 560334344 /nfs/dbraw/zinc/33/43/44/560334344.db2.gz CMUPSPDAHFIIGL-IINYFYTJSA-N 1 0 361.320 2.169 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000451916399 560337045 /nfs/dbraw/zinc/33/70/45/560337045.db2.gz KWRHEWGFTKVLDT-CYBMUJFWSA-N 1 0 366.849 2.035 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452392770 560363000 /nfs/dbraw/zinc/36/30/00/560363000.db2.gz RQGKFOMTOYDKOY-CQSZACIVSA-N 1 0 363.439 2.386 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000452728024 560372230 /nfs/dbraw/zinc/37/22/30/560372230.db2.gz HLQAQZZRARLQSY-UHFFFAOYSA-N 1 0 357.414 2.113 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454528525 560448410 /nfs/dbraw/zinc/44/84/10/560448410.db2.gz OZCIBMTWPBMYLK-XJKSGUPXSA-N 1 0 350.419 2.066 20 5 FEBDRO CNc1nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000226 560503953 /nfs/dbraw/zinc/50/39/53/560503953.db2.gz QVMBWRYMORTWFD-SWLSCSKDSA-N 1 0 359.430 2.120 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456354381 560516892 /nfs/dbraw/zinc/51/68/92/560516892.db2.gz PDKPFIMPKVTANS-GFCCVEGCSA-N 1 0 358.398 2.405 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000456908946 560537306 /nfs/dbraw/zinc/53/73/06/560537306.db2.gz XVDBXCMNZMNDMF-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO Cc1c(C(=O)NCC[N@@H+]2CCCC2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457067965 560546816 /nfs/dbraw/zinc/54/68/16/560546816.db2.gz CXOFPNUJITYLKP-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457079044 560547488 /nfs/dbraw/zinc/54/74/88/560547488.db2.gz RTZBDOUZRUFXPW-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457084586 560547866 /nfs/dbraw/zinc/54/78/66/560547866.db2.gz YRTUBZCVMXZYHC-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457109430 560549624 /nfs/dbraw/zinc/54/96/24/560549624.db2.gz GTPBKQGJVHOSCP-ZDUSSCGKSA-N 1 0 358.398 2.403 20 5 FEBDRO Cc1nn(C)c(C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458190402 560607826 /nfs/dbraw/zinc/60/78/26/560607826.db2.gz FCWFBTIJTNUHSW-UHFFFAOYSA-N 1 0 361.402 2.138 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492094 560689600 /nfs/dbraw/zinc/68/96/00/560689600.db2.gz ZQLMLXCXVOBRJY-OKILXGFUSA-N 1 0 364.446 2.347 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000461026657 560759737 /nfs/dbraw/zinc/75/97/37/560759737.db2.gz HOXKBNOMKQZJBP-GFCCVEGCSA-N 1 0 351.403 2.230 20 5 FEBDRO COCCCN(C(=O)c1cccc(OC)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000464725150 560849199 /nfs/dbraw/zinc/84/91/99/560849199.db2.gz VGENYPQEXAYRHE-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000468475182 560931027 /nfs/dbraw/zinc/93/10/27/560931027.db2.gz MUIQGRNQQONKPS-HNNXBMFYSA-N 1 0 363.414 2.232 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000470292916 560977929 /nfs/dbraw/zinc/97/79/29/560977929.db2.gz LPFIMBHZPPANEF-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471132177 560998873 /nfs/dbraw/zinc/99/88/73/560998873.db2.gz VEGNSBOXSDPAAP-CJNGLKHVSA-N 1 0 359.430 2.334 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000474347823 561071886 /nfs/dbraw/zinc/07/18/86/561071886.db2.gz GKAVNYNRSMYISE-MRXNPFEDSA-N 1 0 366.414 2.177 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000474375404 561072603 /nfs/dbraw/zinc/07/26/03/561072603.db2.gz UEBDTZBPMPWSHD-CQSZACIVSA-N 1 0 365.430 2.111 20 5 FEBDRO COC(=O)c1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)cc(C)c1[N+](=O)[O-] ZINC000474790066 561082948 /nfs/dbraw/zinc/08/29/48/561082948.db2.gz XYYFMGPHHTWGCA-HNNXBMFYSA-N 1 0 365.430 2.195 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131306 561091222 /nfs/dbraw/zinc/09/12/22/561091222.db2.gz QGYLOOYPRROVNU-WBMJQRKESA-N 1 0 352.387 2.003 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000475692706 561102335 /nfs/dbraw/zinc/10/23/35/561102335.db2.gz JIWRWSBSSRZHLP-UHFFFAOYSA-N 1 0 364.398 2.149 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)[NH+]2CCCC2)cc1 ZINC000476354721 561117322 /nfs/dbraw/zinc/11/73/22/561117322.db2.gz NTWMKRAGTVCFMU-MRXNPFEDSA-N 1 0 357.414 2.204 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000530397058 562409730 /nfs/dbraw/zinc/40/97/30/562409730.db2.gz ZDMMKXDLDHVBKY-UHFFFAOYSA-N 1 0 363.462 2.361 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000531540400 562449104 /nfs/dbraw/zinc/44/91/04/562449104.db2.gz MCEKJPXXWQVDBE-CYBMUJFWSA-N 1 0 363.414 2.074 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000532342388 562474714 /nfs/dbraw/zinc/47/47/14/562474714.db2.gz DFLCHABKCIHIFH-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000532920863 562492617 /nfs/dbraw/zinc/49/26/17/562492617.db2.gz NLQDTEAJAOEHAA-CYBMUJFWSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000532981603 562494650 /nfs/dbraw/zinc/49/46/50/562494650.db2.gz KAGUQFBEGFLZCO-HNNXBMFYSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000533497199 562510980 /nfs/dbraw/zinc/51/09/80/562510980.db2.gz YNIGZNDFHJMHNL-WDNDVIMCSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1ccc2c(c1)CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000534841533 562543645 /nfs/dbraw/zinc/54/36/45/562543645.db2.gz WAEMRRJGNSRCAK-SFHVURJKSA-N 1 0 372.421 2.444 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536509129 562577304 /nfs/dbraw/zinc/57/73/04/562577304.db2.gz DGTNQOSPJFWQFC-PVUWLOKVSA-N 1 0 372.425 2.400 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000537245627 562588611 /nfs/dbraw/zinc/58/86/11/562588611.db2.gz ZSNSRIZKWQMHJV-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CCO)c2ccccc2Br)n1 ZINC000541025235 562600715 /nfs/dbraw/zinc/60/07/15/562600715.db2.gz WUXOTQOJEZIUME-ZDUSSCGKSA-N 1 0 369.219 2.267 20 5 FEBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602785 562616194 /nfs/dbraw/zinc/61/61/94/562616194.db2.gz XBYMZSJXFCCGET-RDJZCZTQSA-N 1 0 362.430 2.426 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556201709 674391906 /nfs/dbraw/zinc/39/19/06/674391906.db2.gz VPWQLIKYMLQGER-KKUMJFAQSA-N 1 0 351.451 2.417 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000568150595 567947823 /nfs/dbraw/zinc/94/78/23/567947823.db2.gz NOEWRLSALMGGCN-UHFFFAOYSA-N 1 0 355.822 2.018 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1Br ZINC000602690474 568015196 /nfs/dbraw/zinc/01/51/96/568015196.db2.gz NNEWGHGBRSCWBO-GZMMTYOYSA-N 1 0 365.249 2.296 20 5 FEBDRO COCc1ncc2c(n1)CCN(CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000602928193 568019189 /nfs/dbraw/zinc/01/91/89/568019189.db2.gz KOZHYIQRKSYRMA-UHFFFAOYSA-N 1 0 358.398 2.358 20 5 FEBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000568531334 568047079 /nfs/dbraw/zinc/04/70/79/568047079.db2.gz ASRVXWKVWPOJGO-UHFFFAOYSA-N 1 0 354.426 2.349 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577191 568058689 /nfs/dbraw/zinc/05/86/89/568058689.db2.gz ZTBNFZULYFRILE-CZUORRHYSA-N 1 0 362.430 2.228 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569111681 568277914 /nfs/dbraw/zinc/27/79/14/568277914.db2.gz WBCNUSPCFGMADY-KGLIPLIRSA-N 1 0 362.430 2.160 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254995 568320967 /nfs/dbraw/zinc/32/09/67/568320967.db2.gz GOBPUKDLEWDKRW-SGMGOOAPSA-N 1 0 361.398 2.126 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000609483888 568342005 /nfs/dbraw/zinc/34/20/05/568342005.db2.gz NXXCNIKNLUEBHJ-LJQANCHMSA-N 1 0 373.409 2.429 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395282 568400472 /nfs/dbraw/zinc/40/04/72/568400472.db2.gz OKMDDMRGNYRCCM-DDUZABMNSA-N 1 0 361.442 2.471 20 5 FEBDRO COc1cc(F)cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000569448526 568402762 /nfs/dbraw/zinc/40/27/62/568402762.db2.gz CXMZYUJFDHTDNO-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569802227 568425819 /nfs/dbraw/zinc/42/58/19/568425819.db2.gz SFCFAYAXSXVVHA-CYBMUJFWSA-N 1 0 357.414 2.220 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000570233860 568464029 /nfs/dbraw/zinc/46/40/29/568464029.db2.gz POHWJCCWVAFPDW-UHFFFAOYSA-N 1 0 351.451 2.133 20 5 FEBDRO C[C@@H]1CCC[C@](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])(N(C)C)C1 ZINC000570546475 568486570 /nfs/dbraw/zinc/48/65/70/568486570.db2.gz JARMFIBLEZYKCV-MDZRGWNJSA-N 1 0 365.474 2.435 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3C)[C@H]2C1 ZINC000570758631 568511250 /nfs/dbraw/zinc/51/12/50/568511250.db2.gz SWSFTISUWQONQU-ZVZYQTTQSA-N 1 0 374.441 2.078 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640231 599058855 /nfs/dbraw/zinc/05/88/55/599058855.db2.gz YIGQMIAYLXCWKE-ZDUSSCGKSA-N 1 0 357.418 2.087 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925374 674428127 /nfs/dbraw/zinc/42/81/27/674428127.db2.gz RSQCPRCMSGNCFH-NVXWUHKLSA-N 1 0 367.471 2.376 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568616 607530874 /nfs/dbraw/zinc/53/08/74/607530874.db2.gz BCIXZOQBMXUNCW-BDJLRTHQSA-N 1 0 354.370 2.159 20 5 FEBDRO COC(=O)c1cc(C)nc(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000558974473 674522297 /nfs/dbraw/zinc/52/22/97/674522297.db2.gz YGRLFJNRQFVRFZ-UHFFFAOYSA-N 1 0 350.419 2.763 20 5 FEBDRO C[NH+](C)CCCC1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000825859184 608304972 /nfs/dbraw/zinc/30/49/72/608304972.db2.gz DLDQLLXDGMUJJE-UHFFFAOYSA-N 1 0 359.434 2.333 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811803439 674629404 /nfs/dbraw/zinc/62/94/04/674629404.db2.gz MLVOPYPJBMWHAJ-JTQLQIEISA-N 1 0 354.363 2.432 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000562044029 674717770 /nfs/dbraw/zinc/71/77/70/674717770.db2.gz XGTCXKJVAYQXMR-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000813641843 674763907 /nfs/dbraw/zinc/76/39/07/674763907.db2.gz NYHBZMXXJUDAAR-UHFFFAOYSA-N 1 0 356.231 2.132 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1c(F)cccc1F ZINC000562895246 674820437 /nfs/dbraw/zinc/82/04/37/674820437.db2.gz XBCFPXGIEPQANG-LBPRGKRZSA-N 1 0 352.337 2.445 20 5 FEBDRO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048813124 675015507 /nfs/dbraw/zinc/01/55/07/675015507.db2.gz ANHGCOWMQWOEGX-UMPJEAMMSA-N 1 0 363.845 2.204 20 5 FEBDRO Cc1csc([C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000564873706 675070890 /nfs/dbraw/zinc/07/08/90/675070890.db2.gz RCKBMGKJPCZWMK-RISCZKNCSA-N 1 0 351.428 2.493 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043935053 670181867 /nfs/dbraw/zinc/18/18/67/670181867.db2.gz HPPQHHJMCCKDAX-UHFFFAOYSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047147845 670235261 /nfs/dbraw/zinc/23/52/61/670235261.db2.gz NKGPHDPLRYPRTG-NSHDSACASA-N 1 0 350.375 2.273 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000067121727 670453851 /nfs/dbraw/zinc/45/38/51/670453851.db2.gz DBBIDNRMOPXTRF-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000068084505 670465844 /nfs/dbraw/zinc/46/58/44/670465844.db2.gz JUVGYWYLSCHONK-RYUDHWBXSA-N 1 0 350.375 2.353 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000083991609 670663498 /nfs/dbraw/zinc/66/34/98/670663498.db2.gz MKORNCYPJMNSBF-LLVKDONJSA-N 1 0 361.851 2.177 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000565507991 675127982 /nfs/dbraw/zinc/12/79/82/675127982.db2.gz KXZJXFSHHQDMBK-ZDUSSCGKSA-N 1 0 353.444 2.120 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000571083274 670813948 /nfs/dbraw/zinc/81/39/48/670813948.db2.gz KZBNLXIBRDTTPH-MRXNPFEDSA-N 1 0 361.423 2.150 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000572437559 671001461 /nfs/dbraw/zinc/00/14/61/671001461.db2.gz IHTFFAJJMIVUDF-ZDUSSCGKSA-N 1 0 372.491 2.377 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000573000713 671069709 /nfs/dbraw/zinc/06/97/09/671069709.db2.gz OZUUGJDLNKWEJF-PWSUYJOCSA-N 1 0 357.357 2.246 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000574156884 671209246 /nfs/dbraw/zinc/20/92/46/671209246.db2.gz JUUDMZQTIHQBAD-JOCQHMNTSA-N 1 0 355.460 2.201 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000574328099 671227159 /nfs/dbraw/zinc/22/71/59/671227159.db2.gz SHXRRAHKAHCWFS-OLZOCXBDSA-N 1 0 371.459 2.097 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000817880523 675184712 /nfs/dbraw/zinc/18/47/12/675184712.db2.gz XUXMHANAKPGYNO-WOPDTQHZSA-N 1 0 354.838 2.492 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000574912699 671285733 /nfs/dbraw/zinc/28/57/33/671285733.db2.gz SWFVZGNWPKPBKR-AWEZNQCLSA-N 1 0 352.337 2.445 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000817994665 675189360 /nfs/dbraw/zinc/18/93/60/675189360.db2.gz GPBUSCNDYGXXFE-SNVBAGLBSA-N 1 0 357.691 2.326 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000575401381 671312110 /nfs/dbraw/zinc/31/21/10/671312110.db2.gz WRBKZIJVWZRNOP-RDJZCZTQSA-N 1 0 352.431 2.255 20 5 FEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576024338 671338646 /nfs/dbraw/zinc/33/86/46/671338646.db2.gz WFMVZJAWUBVGMS-NTZNESFSSA-N 1 0 350.341 2.205 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000576699523 671387959 /nfs/dbraw/zinc/38/79/59/671387959.db2.gz PYQUQUBEOWPVRW-AWEZNQCLSA-N 1 0 367.471 2.264 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000578063969 671637652 /nfs/dbraw/zinc/63/76/52/671637652.db2.gz LGLMZLMBGREBQR-GJZGRUSLSA-N 1 0 369.487 2.079 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)c1 ZINC000580064997 671780300 /nfs/dbraw/zinc/78/03/00/671780300.db2.gz FXNLALZAHOWBDD-CYBMUJFWSA-N 1 0 368.796 2.266 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOCc2ccccc2)cc1 ZINC000580553236 671817657 /nfs/dbraw/zinc/81/76/57/671817657.db2.gz YOOSALMBLSNGJU-UHFFFAOYSA-N 1 0 364.423 2.175 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CCCC[NH+](C)C)cc1OC ZINC000610111746 675954606 /nfs/dbraw/zinc/95/46/06/675954606.db2.gz BIYVVAPRQXSHFJ-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119959193 671913416 /nfs/dbraw/zinc/91/34/16/671913416.db2.gz AWOUEVSXJFZSMO-UHFFFAOYSA-N 1 0 359.429 2.002 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000610133849 675955922 /nfs/dbraw/zinc/95/59/22/675955922.db2.gz ZPUXDFBEVISYOL-OLZOCXBDSA-N 1 0 355.460 2.307 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)c1 ZINC000610335327 675966838 /nfs/dbraw/zinc/96/68/38/675966838.db2.gz DRFGSRVGLSIQDZ-AWEZNQCLSA-N 1 0 358.320 2.003 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000582797418 672035120 /nfs/dbraw/zinc/03/51/20/672035120.db2.gz RLAGHXACTGDYBC-GHMZBOCLSA-N 1 0 358.236 2.497 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000610720367 675991506 /nfs/dbraw/zinc/99/15/06/675991506.db2.gz HLQMCJTVKOMEKE-CQSZACIVSA-N 1 0 350.419 2.147 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000163857647 672310992 /nfs/dbraw/zinc/31/09/92/672310992.db2.gz UIKXKYLGEXSYLN-NSHDSACASA-N 1 0 359.423 2.053 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173994976 672357125 /nfs/dbraw/zinc/35/71/25/672357125.db2.gz YRUFUKVYMVVKID-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000586784262 672434428 /nfs/dbraw/zinc/43/44/28/672434428.db2.gz RYUXXBPHQWUBCQ-OMVNSRBRSA-N 1 0 365.455 2.154 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@H+](C[C@H]3CCCO3)CC2)s1 ZINC000587146627 672440991 /nfs/dbraw/zinc/44/09/91/672440991.db2.gz CWUCYFUMLXRDQA-GFCCVEGCSA-N 1 0 363.443 2.291 20 5 FEBDRO C[NH+](C)CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000185281319 672524561 /nfs/dbraw/zinc/52/45/61/672524561.db2.gz HAGATLWQSQRDDH-UHFFFAOYSA-N 1 0 362.455 2.129 20 5 FEBDRO O=[N+]([O-])c1ccsc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000611412544 676036046 /nfs/dbraw/zinc/03/60/46/676036046.db2.gz GDBICEUOLOBKAJ-UHFFFAOYSA-N 1 0 362.459 2.461 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000589930714 672548409 /nfs/dbraw/zinc/54/84/09/672548409.db2.gz JPQDMLOOSHVBQT-ZDUSSCGKSA-N 1 0 367.471 2.398 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590046970 672556590 /nfs/dbraw/zinc/55/65/90/672556590.db2.gz QEUYGKLGAQXGHI-QMTHXVAHSA-N 1 0 368.231 2.442 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562495 672589788 /nfs/dbraw/zinc/58/97/88/672589788.db2.gz LYRXXSPLDLMLFG-GJZGRUSLSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565848 672590375 /nfs/dbraw/zinc/59/03/75/672590375.db2.gz RLHLYXCWGVHNLM-HIFRSBDPSA-N 1 0 353.806 2.183 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000590590239 672593381 /nfs/dbraw/zinc/59/33/81/672593381.db2.gz AWHUSSIKLXJETJ-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1OC ZINC000591676183 672700536 /nfs/dbraw/zinc/70/05/36/672700536.db2.gz DVMXAQUZXPCNAA-BXUZGUMPSA-N 1 0 351.403 2.202 20 5 FEBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000591760863 672708982 /nfs/dbraw/zinc/70/89/82/672708982.db2.gz JZONCOJOCHWIIS-RYQLBKOJSA-N 1 0 350.415 2.129 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1COCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592133486 672762176 /nfs/dbraw/zinc/76/21/76/672762176.db2.gz VTFWOWDNVVNHNM-ULQDDVLXSA-N 1 0 350.415 2.116 20 5 FEBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000592373287 672794096 /nfs/dbraw/zinc/79/40/96/672794096.db2.gz WLTXKKCJHCOIPR-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593029651 672865589 /nfs/dbraw/zinc/86/55/89/672865589.db2.gz DSDYGZUWMUGTLC-KGLIPLIRSA-N 1 0 350.371 2.203 20 5 FEBDRO C[C@@H](CSc1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045596 672867426 /nfs/dbraw/zinc/86/74/26/672867426.db2.gz JIOXKCXNRXUUAT-DZGCQCFKSA-N 1 0 350.444 2.265 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000593601440 672955066 /nfs/dbraw/zinc/95/50/66/672955066.db2.gz ILZDFSLANARPNH-CVEARBPZSA-N 1 0 367.446 2.315 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H](CO)CCF)c1 ZINC000593689631 672979408 /nfs/dbraw/zinc/97/94/08/672979408.db2.gz ORAUWIOMNUZNSO-SNVBAGLBSA-N 1 0 368.146 2.010 20 5 FEBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000594045630 673025136 /nfs/dbraw/zinc/02/51/36/673025136.db2.gz JWZOJXLXTPOOPE-AWEZNQCLSA-N 1 0 351.403 2.150 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000725374246 673089207 /nfs/dbraw/zinc/08/92/07/673089207.db2.gz LMQFUGINLQHTRJ-CQSZACIVSA-N 1 0 367.471 2.385 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000594992951 673183738 /nfs/dbraw/zinc/18/37/38/673183738.db2.gz MBSJBVYGFHXZNO-NSHDSACASA-N 1 0 351.403 2.046 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)CCCC2 ZINC000595077562 673191232 /nfs/dbraw/zinc/19/12/32/673191232.db2.gz JGYJHZTWPUOYHW-ROUUACIJSA-N 1 0 350.415 2.120 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000595112998 673195286 /nfs/dbraw/zinc/19/52/86/673195286.db2.gz IRVAWDZFKYZLNQ-LBPRGKRZSA-N 1 0 359.473 2.057 20 5 FEBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595118514 673196812 /nfs/dbraw/zinc/19/68/12/673196812.db2.gz RJOZVTNXVZQXAY-TZMCWYRMSA-N 1 0 371.459 2.132 20 5 FEBDRO O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595232026 673212412 /nfs/dbraw/zinc/21/24/12/673212412.db2.gz PTSVFZSFRHFJPO-UHFFFAOYSA-N 1 0 355.192 2.231 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595344880 673228568 /nfs/dbraw/zinc/22/85/68/673228568.db2.gz JWQNZFUUVUGGOC-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCN(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681825 673243359 /nfs/dbraw/zinc/24/33/59/673243359.db2.gz KFPJMVNKXRMEBZ-NSHDSACASA-N 1 0 363.336 2.338 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595467288 673254468 /nfs/dbraw/zinc/25/44/68/673254468.db2.gz JYAYRLJRCWUTTR-CYBMUJFWSA-N 1 0 350.419 2.275 20 5 FEBDRO COC[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000595562895 673267359 /nfs/dbraw/zinc/26/73/59/673267359.db2.gz MWEYGRAYVVKGGZ-ULQDDVLXSA-N 1 0 352.431 2.362 20 5 FEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000595615401 673273733 /nfs/dbraw/zinc/27/37/33/673273733.db2.gz MGIOOLYHZUICLN-HNNXBMFYSA-N 1 0 371.821 2.218 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500590 673332704 /nfs/dbraw/zinc/33/27/04/673332704.db2.gz MPYMHXMMDOVUOV-MRXNPFEDSA-N 1 0 351.378 2.107 20 5 FEBDRO COc1cc(CN2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000595906995 673337234 /nfs/dbraw/zinc/33/72/34/673337234.db2.gz QGDDEOCIVZFRKR-CQSZACIVSA-N 1 0 355.410 2.285 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000595908028 673337590 /nfs/dbraw/zinc/33/75/90/673337590.db2.gz MBGAKJCTVVXGBA-JTQLQIEISA-N 1 0 354.716 2.008 20 5 FEBDRO CC[C@H]([NH2+]C)C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000595922051 673340617 /nfs/dbraw/zinc/34/06/17/673340617.db2.gz NUJOIOLJALXFAO-UONOGXRCSA-N 1 0 351.403 2.092 20 5 FEBDRO C[C@@H](O)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596067705 673355518 /nfs/dbraw/zinc/35/55/18/673355518.db2.gz QRBBIVVMGNNKPH-DYVFJYSZSA-N 1 0 364.423 2.080 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[NH+](CC)CC ZINC000596074952 673356339 /nfs/dbraw/zinc/35/63/39/673356339.db2.gz CKBYAPGPLKEQPL-CYBMUJFWSA-N 1 0 372.491 2.425 20 5 FEBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596075035 673356478 /nfs/dbraw/zinc/35/64/78/673356478.db2.gz XJWLJFSFPDZQQK-UHFFFAOYSA-N 1 0 370.837 2.084 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000596123676 673361311 /nfs/dbraw/zinc/36/13/11/673361311.db2.gz ZMCQPWHANWOPMM-UHFFFAOYSA-N 1 0 371.279 2.431 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@@H](C)[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000596167557 673364499 /nfs/dbraw/zinc/36/44/99/673364499.db2.gz KPQPTDFFPGKLGG-JOYOIKCWSA-N 1 0 357.794 2.166 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596200121 673367233 /nfs/dbraw/zinc/36/72/33/673367233.db2.gz ZXIIIXNXUXNSRK-UHFFFAOYSA-N 1 0 367.881 2.497 20 5 FEBDRO CNS(=O)(=O)c1ccc(N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000596487201 673389235 /nfs/dbraw/zinc/38/92/35/673389235.db2.gz FITGIPFZZNXPKD-CYBMUJFWSA-N 1 0 370.475 2.035 20 5 FEBDRO COc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596540962 673392852 /nfs/dbraw/zinc/39/28/52/673392852.db2.gz XIIAHLSDRLLWRN-LBPRGKRZSA-N 1 0 355.822 2.292 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000596566435 673394176 /nfs/dbraw/zinc/39/41/76/673394176.db2.gz LKADRVPOODBDMA-NSHDSACASA-N 1 0 351.432 2.147 20 5 FEBDRO C[C@H](Cc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537969538 673415330 /nfs/dbraw/zinc/41/53/30/673415330.db2.gz FHXMKVZROUSHFB-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000734310015 673460047 /nfs/dbraw/zinc/46/00/47/673460047.db2.gz TVLMHIUFWGMSLU-MRXNPFEDSA-N 1 0 363.487 2.003 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000597861752 673513818 /nfs/dbraw/zinc/51/38/18/673513818.db2.gz WWMMYRNMYHYCEW-AWEZNQCLSA-N 1 0 351.451 2.035 20 5 FEBDRO Nc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598220069 673549691 /nfs/dbraw/zinc/54/96/91/673549691.db2.gz OVICKLZBEXGGHD-GFCCVEGCSA-N 1 0 350.394 2.453 20 5 FEBDRO C[NH+](C)CCOCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542366690 673577563 /nfs/dbraw/zinc/57/75/63/673577563.db2.gz IXYDGNPVHOAFIA-UHFFFAOYSA-N 1 0 361.851 2.035 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1SC ZINC000598670186 673596771 /nfs/dbraw/zinc/59/67/71/673596771.db2.gz RSTKGIHQTUJBDN-QLJPJBMISA-N 1 0 351.428 2.279 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)c1[N+](=O)[O-] ZINC000598716851 673602933 /nfs/dbraw/zinc/60/29/33/673602933.db2.gz TZVPPKGGEDMJMJ-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126513 673635312 /nfs/dbraw/zinc/63/53/12/673635312.db2.gz IZALWDLMMWQBLE-ZDUSSCGKSA-N 1 0 368.459 2.061 20 5 FEBDRO COc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000599161442 673637542 /nfs/dbraw/zinc/63/75/42/673637542.db2.gz WNRHMBMZEQKRNV-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO C[NH+]1CCC(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599249907 673648599 /nfs/dbraw/zinc/64/85/99/673648599.db2.gz GVGRCVQUBYROPY-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599390237 673667812 /nfs/dbraw/zinc/66/78/12/673667812.db2.gz IOGGYSWMLPGZOD-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599415248 673672818 /nfs/dbraw/zinc/67/28/18/673672818.db2.gz LVTOFMQXGWKZJD-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000543953680 673679715 /nfs/dbraw/zinc/67/97/15/673679715.db2.gz KLRMTHWPFUUDGL-UHFFFAOYSA-N 1 0 351.451 2.152 20 5 FEBDRO CC1(C)CCC[C@@](CO)([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599594758 673695318 /nfs/dbraw/zinc/69/53/18/673695318.db2.gz IVNUMIIIZWTZCH-MAUKXSAKSA-N 1 0 352.431 2.255 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000742412344 673726994 /nfs/dbraw/zinc/72/69/94/673726994.db2.gz PMJRZEPIBNCJAH-ZJUUUORDSA-N 1 0 352.347 2.184 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000599911480 673727332 /nfs/dbraw/zinc/72/73/32/673727332.db2.gz WBVBTVBMNSGHPU-AAEUAGOBSA-N 1 0 360.336 2.264 20 5 FEBDRO Nc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600229946 673750150 /nfs/dbraw/zinc/75/01/50/673750150.db2.gz YQVRMEIZCNEGEG-CYBMUJFWSA-N 1 0 350.394 2.453 20 5 FEBDRO COC(=O)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000743872153 673774417 /nfs/dbraw/zinc/77/44/17/673774417.db2.gz KDVKTTLBZDLTOY-UHFFFAOYSA-N 1 0 352.387 2.018 20 5 FEBDRO C[NH2+]CCOCCN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600772622 673797897 /nfs/dbraw/zinc/79/78/97/673797897.db2.gz FRABBGGODRVLOE-UHFFFAOYSA-N 1 0 350.444 2.386 20 5 FEBDRO Cc1c(Br)c(N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000601185201 673831628 /nfs/dbraw/zinc/83/16/28/673831628.db2.gz QZGNMJFSAAAQOP-MNOVXSKESA-N 1 0 355.236 2.449 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601347356 673846363 /nfs/dbraw/zinc/84/63/63/673846363.db2.gz IYCNXGPNKRFZNQ-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Cl)c1 ZINC000601351365 673846531 /nfs/dbraw/zinc/84/65/31/673846531.db2.gz FRZXWVPQFMEVLY-MFKMUULPSA-N 1 0 359.835 2.011 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601355285 673847135 /nfs/dbraw/zinc/84/71/35/673847135.db2.gz NAXYKFYYEKCRKE-PWSUYJOCSA-N 1 0 361.489 2.458 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372045 673850079 /nfs/dbraw/zinc/85/00/79/673850079.db2.gz QMEMYIPOGBKCOP-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601559403 673881419 /nfs/dbraw/zinc/88/14/19/673881419.db2.gz PLFINCBYJFMBMC-AOOOYVTPSA-N 1 0 355.192 2.325 20 5 FEBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601958224 673900126 /nfs/dbraw/zinc/90/01/26/673900126.db2.gz YVECMMWRMGHGCV-KRWDZBQOSA-N 1 0 363.801 2.047 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000614923365 676196698 /nfs/dbraw/zinc/19/66/98/676196698.db2.gz HNCSPAKVMFARNQ-UHFFFAOYSA-N 1 0 351.447 2.271 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000602508997 673907094 /nfs/dbraw/zinc/90/70/94/673907094.db2.gz FFWMOKFVYKZNRD-NXEZZACHSA-N 1 0 356.220 2.414 20 5 FEBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769048 673910867 /nfs/dbraw/zinc/91/08/67/673910867.db2.gz LYBNVVQYBVDOHQ-DZGCQCFKSA-N 1 0 351.451 2.117 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000602889784 673912810 /nfs/dbraw/zinc/91/28/10/673912810.db2.gz VMQVGTKWCTWPRM-ZNMIVQPWSA-N 1 0 350.419 2.153 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 ZINC000602891180 673913138 /nfs/dbraw/zinc/91/31/38/673913138.db2.gz LUUIZPHFYVDJLS-DLBZAZTESA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000602919881 673913834 /nfs/dbraw/zinc/91/38/34/673913834.db2.gz NVYNATIHPCDWOR-ZBFHGGJFSA-N 1 0 352.341 2.498 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)CC2CCCCC2)cc1 ZINC000566233774 675196913 /nfs/dbraw/zinc/19/69/13/675196913.db2.gz MUJZGBJOQMJPJO-OAHLLOKOSA-N 1 0 370.471 2.289 20 5 FEBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCS(=O)(=O)CC1 ZINC000567037060 675262021 /nfs/dbraw/zinc/26/20/21/675262021.db2.gz RPJKJQMEMUQZKP-LBPRGKRZSA-N 1 0 365.455 2.422 20 5 FEBDRO Cc1c(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819262360 675274993 /nfs/dbraw/zinc/27/49/93/675274993.db2.gz UWHSQRZABQYEBQ-CQSZACIVSA-N 1 0 353.419 2.221 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823184467 675534838 /nfs/dbraw/zinc/53/48/38/675534838.db2.gz FTNLIQUVCPKSNK-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825877766 675672440 /nfs/dbraw/zinc/67/24/40/675672440.db2.gz PEZLJHWZFFRTHU-JTQLQIEISA-N 1 0 371.235 2.357 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000827445285 675756427 /nfs/dbraw/zinc/75/64/27/675756427.db2.gz KSBSFXYPZXHATK-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO C[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000829092495 675863807 /nfs/dbraw/zinc/86/38/07/675863807.db2.gz DUBWROSTRHZKFG-QMMMGPOBSA-N 1 0 355.338 2.250 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000619475091 676379104 /nfs/dbraw/zinc/37/91/04/676379104.db2.gz WBAHUSSDSXFILD-UHFFFAOYSA-N 1 0 371.459 2.097 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024334 677022338 /nfs/dbraw/zinc/02/23/38/677022338.db2.gz QWVNAMPAWSBYPC-MWDXBVQZSA-N 1 0 361.467 2.394 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000838344949 680687704 /nfs/dbraw/zinc/68/77/04/680687704.db2.gz KAUKZYLCIWBZMM-GFCCVEGCSA-N 1 0 370.427 2.030 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000765491607 680843928 /nfs/dbraw/zinc/84/39/28/680843928.db2.gz WBVVUGCSEZFVBI-UKRRQHHQSA-N 1 0 370.247 2.393 20 5 FEBDRO CC(C)(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(C)(=O)=O ZINC000840876781 680848775 /nfs/dbraw/zinc/84/87/75/680848775.db2.gz OAXCDYOUMWEDHR-UHFFFAOYSA-N 1 0 369.487 2.367 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849854 680857409 /nfs/dbraw/zinc/85/74/09/680857409.db2.gz RSNPDAHEMAPVQM-YVEFUNNKSA-N 1 0 364.423 2.383 20 5 FEBDRO CCO[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000831694387 680026737 /nfs/dbraw/zinc/02/67/37/680026737.db2.gz GGQQLJBXAOCHBD-CQSZACIVSA-N 1 0 357.838 2.264 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832566301 680150128 /nfs/dbraw/zinc/15/01/28/680150128.db2.gz XZBOCTABASZTRH-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000912151059 685319986 /nfs/dbraw/zinc/31/99/86/685319986.db2.gz QWBNQAVOWDBFKI-INIZCTEOSA-N 1 0 366.805 2.105 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000996428860 680332239 /nfs/dbraw/zinc/33/22/39/680332239.db2.gz JKOTZPQSPMTORG-IUODEOHRSA-N 1 0 355.797 2.225 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2nsc3ccccc32)CC1 ZINC000996429742 680332340 /nfs/dbraw/zinc/33/23/40/680332340.db2.gz VROSCFMNVCXOOM-UKRRQHHQSA-N 1 0 360.439 2.042 20 5 FEBDRO O=C(C[NH2+][C@H](CCO)c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000754389992 680353617 /nfs/dbraw/zinc/35/36/17/680353617.db2.gz UICJFEIONRWGEB-CQSZACIVSA-N 1 0 361.423 2.259 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000837191347 680565860 /nfs/dbraw/zinc/56/58/60/680565860.db2.gz NGLYFPYLWDKCTQ-GFCCVEGCSA-N 1 0 352.410 2.355 20 5 FEBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000841529191 680892514 /nfs/dbraw/zinc/89/25/14/680892514.db2.gz DGQPYQUEOWBBNU-UHFFFAOYSA-N 1 0 353.803 2.006 20 5 FEBDRO CC(C)(CN1CCOCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841707061 680908345 /nfs/dbraw/zinc/90/83/45/680908345.db2.gz MYQFNABHJRGRKB-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000842721992 680962097 /nfs/dbraw/zinc/96/20/97/680962097.db2.gz NJXRKROSNQPFSM-TVQRCGJNSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1nn(C)c(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000769089770 680970570 /nfs/dbraw/zinc/97/05/70/680970570.db2.gz CVMCZKJQFZLAEV-UHFFFAOYSA-N 1 0 350.350 2.065 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000842838711 680970790 /nfs/dbraw/zinc/97/07/90/680970790.db2.gz RVPMXXYUWGJHQK-NSHDSACASA-N 1 0 361.851 2.306 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000842872414 680972747 /nfs/dbraw/zinc/97/27/47/680972747.db2.gz YDBOXYKSIPYCMN-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCCCCCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000843042682 680984462 /nfs/dbraw/zinc/98/44/62/680984462.db2.gz QSQVDKSPJIJFLV-UHFFFAOYSA-N 1 0 352.391 2.330 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000843066482 680985524 /nfs/dbraw/zinc/98/55/24/680985524.db2.gz RJIGULNEBQQZKW-WBMJQRKESA-N 1 0 366.801 2.311 20 5 FEBDRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843345338 680999191 /nfs/dbraw/zinc/99/91/91/680999191.db2.gz BCMHIGDFDOSMLG-UHFFFAOYSA-N 1 0 352.822 2.403 20 5 FEBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843363093 680999820 /nfs/dbraw/zinc/99/98/20/680999820.db2.gz MWEUGSIDLHUCAK-FUNVUKJBSA-N 1 0 352.822 2.402 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770016890 681002977 /nfs/dbraw/zinc/00/29/77/681002977.db2.gz RHCVCKXGWVNVKM-GFCCVEGCSA-N 1 0 356.810 2.481 20 5 FEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000843485316 681006353 /nfs/dbraw/zinc/00/63/53/681006353.db2.gz QGRHMPSNEACZAU-NSHDSACASA-N 1 0 351.712 2.043 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844373380 681054872 /nfs/dbraw/zinc/05/48/72/681054872.db2.gz LKHFFUOXIAUXNP-MRXNPFEDSA-N 1 0 350.806 2.428 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844640212 681069705 /nfs/dbraw/zinc/06/97/05/681069705.db2.gz HFQHXNSXGWAKMO-USWWRNFRSA-N 1 0 350.375 2.365 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)C1CC1 ZINC000773063166 681123611 /nfs/dbraw/zinc/12/36/11/681123611.db2.gz ARLXUVDEJLYLNG-INIZCTEOSA-N 1 0 352.456 2.330 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCCC1 ZINC000846035462 681176080 /nfs/dbraw/zinc/17/60/80/681176080.db2.gz HWUAALDUXWUZLV-UHFFFAOYSA-N 1 0 359.423 2.149 20 5 FEBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775812913 681338066 /nfs/dbraw/zinc/33/80/66/681338066.db2.gz DFYCVAGXBLXNMT-ZIAGYGMSSA-N 1 0 351.403 2.430 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933441747 681412830 /nfs/dbraw/zinc/41/28/30/681412830.db2.gz CYSBSZKNWRNPRS-INIZCTEOSA-N 1 0 352.822 2.336 20 5 FEBDRO COc1cc(OCC(=O)OC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000847961409 681456291 /nfs/dbraw/zinc/45/62/91/681456291.db2.gz XBDOOMCGKVLAJB-ZDUSSCGKSA-N 1 0 352.387 2.400 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000848535924 681574285 /nfs/dbraw/zinc/57/42/85/681574285.db2.gz MALDZCZPARCEIS-OLZOCXBDSA-N 1 0 353.423 2.217 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580005 681581916 /nfs/dbraw/zinc/58/19/16/681581916.db2.gz FPLWNDAJHZXCTI-NSHDSACASA-N 1 0 355.341 2.167 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000848589989 681584794 /nfs/dbraw/zinc/58/47/94/681584794.db2.gz JAEHCSSJIAKBMT-OAHLLOKOSA-N 1 0 355.341 2.121 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+](C)C ZINC000778274167 681592040 /nfs/dbraw/zinc/59/20/40/681592040.db2.gz YJXCEEOLUWSEOO-LLVKDONJSA-N 1 0 351.432 2.306 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000779902383 681769612 /nfs/dbraw/zinc/76/96/12/681769612.db2.gz OZVRQIXYIYWJOI-QWRGUYRKSA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000780865689 681879406 /nfs/dbraw/zinc/87/94/06/681879406.db2.gz BOVKNEPNSOAVES-JTQLQIEISA-N 1 0 361.851 2.319 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@]13OCCC[C@H]1C3(F)F)OCCO2 ZINC000850378565 681894788 /nfs/dbraw/zinc/89/47/88/681894788.db2.gz IZMYPYAGGXQBGQ-CABCVRRESA-N 1 0 356.325 2.270 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850518555 681911690 /nfs/dbraw/zinc/91/16/90/681911690.db2.gz GVRMVPNXPYEZKW-LLVKDONJSA-N 1 0 368.377 2.483 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850551267 681915413 /nfs/dbraw/zinc/91/54/13/681915413.db2.gz UNELLOMGMHFTGR-SNVBAGLBSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000916660517 685526663 /nfs/dbraw/zinc/52/66/63/685526663.db2.gz QJFVGSHJSDNVDS-NEPJUHHUSA-N 1 0 373.862 2.129 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916666388 685526825 /nfs/dbraw/zinc/52/68/25/685526825.db2.gz JXVQHBUOBNWIIY-NEPJUHHUSA-N 1 0 373.862 2.129 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000784724929 682249020 /nfs/dbraw/zinc/24/90/20/682249020.db2.gz UUZLTEUBLYBAKJ-VXGBXAGGSA-N 1 0 361.851 2.318 20 5 FEBDRO COC(=O)N(C)CCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000852569569 682300653 /nfs/dbraw/zinc/30/06/53/682300653.db2.gz AVFXVZBZACJMNB-SNVBAGLBSA-N 1 0 372.809 2.205 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(OC(F)F)c1 ZINC000853966270 682495568 /nfs/dbraw/zinc/49/55/68/682495568.db2.gz RRXMGYWOYWSDNC-CYBMUJFWSA-N 1 0 357.357 2.232 20 5 FEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)C2 ZINC000854736218 682587522 /nfs/dbraw/zinc/58/75/22/682587522.db2.gz CJYBJEMDEHLWEU-MRXNPFEDSA-N 1 0 361.427 2.157 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855417957 682668040 /nfs/dbraw/zinc/66/80/40/682668040.db2.gz SCIRSGCDBLCMQS-SECBINFHSA-N 1 0 356.810 2.277 20 5 FEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926076750 683073090 /nfs/dbraw/zinc/07/30/90/683073090.db2.gz LXWZRLBZVQSGIX-VHSXEESVSA-N 1 0 369.219 2.431 20 5 FEBDRO C[NH+](C)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795782364 683091683 /nfs/dbraw/zinc/09/16/83/683091683.db2.gz HAISMBISYGZTAZ-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000926252935 683098919 /nfs/dbraw/zinc/09/89/19/683098919.db2.gz AFMDEVILAXQSRV-GKLJAUDBSA-N 1 0 367.471 2.256 20 5 FEBDRO CCO[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000926842602 683179367 /nfs/dbraw/zinc/17/93/67/683179367.db2.gz BOFHEKZDHASJCQ-CYBMUJFWSA-N 1 0 352.435 2.096 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927040734 683202005 /nfs/dbraw/zinc/20/20/05/683202005.db2.gz YBMXQWBGRYAXNJ-CRMUJIHISA-N 1 0 354.428 2.362 20 5 FEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798224019 683323379 /nfs/dbraw/zinc/32/33/79/683323379.db2.gz DJPLEFQZNXMPST-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342957 683392396 /nfs/dbraw/zinc/39/23/96/683392396.db2.gz FQCPLQKAGJZDHP-GUYCJALGSA-N 1 0 351.403 2.049 20 5 FEBDRO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000861351004 683396036 /nfs/dbraw/zinc/39/60/36/683396036.db2.gz BCXCGOFIRHFFMO-MGPLVRAMSA-N 1 0 356.350 2.009 20 5 FEBDRO CCO[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000921336516 683430161 /nfs/dbraw/zinc/43/01/61/683430161.db2.gz OUTJTJPPNXPWGE-DZGCQCFKSA-N 1 0 352.435 2.230 20 5 FEBDRO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000928440918 683451395 /nfs/dbraw/zinc/45/13/95/683451395.db2.gz ODASTVMLOFCCSM-NOZJJQNGSA-N 1 0 356.220 2.109 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1CC[NH+](C)CC1 ZINC000861892511 683494100 /nfs/dbraw/zinc/49/41/00/683494100.db2.gz IUMOSODJMAAUNU-UHFFFAOYSA-N 1 0 352.410 2.356 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000921721707 683556892 /nfs/dbraw/zinc/55/68/92/683556892.db2.gz LOOZTFAHRGOGQF-UHFFFAOYSA-N 1 0 359.473 2.342 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1F ZINC000867197710 684224566 /nfs/dbraw/zinc/22/45/66/684224566.db2.gz KXPOWIILYGOGMS-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO CCO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C[NH3+] ZINC000923386947 684272477 /nfs/dbraw/zinc/27/24/77/684272477.db2.gz LORMUWHSCCXLCH-BXUZGUMPSA-N 1 0 358.236 2.153 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923444077 684281956 /nfs/dbraw/zinc/28/19/56/684281956.db2.gz QXOZNCVCIDUUKA-UPJWGTAASA-N 1 0 350.419 2.003 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867475935 684290318 /nfs/dbraw/zinc/29/03/18/684290318.db2.gz NJJBHWBXYRWTJD-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000923537781 684301270 /nfs/dbraw/zinc/30/12/70/684301270.db2.gz XYVXTEORMWSVRM-INIZCTEOSA-N 1 0 352.822 2.405 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335370 /nfs/dbraw/zinc/33/53/70/684335370.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 1 0 350.394 2.231 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923732568 684341892 /nfs/dbraw/zinc/34/18/92/684341892.db2.gz VORPMCSTMRAHFQ-AWEZNQCLSA-N 1 0 359.835 2.155 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC000923737148 684343222 /nfs/dbraw/zinc/34/32/22/684343222.db2.gz XCODEEXBVZPDOB-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000923909590 684366204 /nfs/dbraw/zinc/36/62/04/684366204.db2.gz HEFGXXJXQBKPLI-HOCLYGCPSA-N 1 0 364.471 2.282 20 5 FEBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000868014330 684439427 /nfs/dbraw/zinc/43/94/27/684439427.db2.gz JLENTURCVLCHHW-VIFPVBQESA-N 1 0 356.220 2.475 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000871152206 684791185 /nfs/dbraw/zinc/79/11/85/684791185.db2.gz RYNGQQWMXNLEAQ-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000872031783 684916412 /nfs/dbraw/zinc/91/64/12/684916412.db2.gz MRCKOGUOMBMSTC-CYBMUJFWSA-N 1 0 366.487 2.131 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000872083037 684918668 /nfs/dbraw/zinc/91/86/68/684918668.db2.gz GGFTZDFPDQTZBL-WDEREUQCSA-N 1 0 359.473 2.001 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000872229037 684929588 /nfs/dbraw/zinc/92/95/88/684929588.db2.gz MILYVMUYGJLOHB-GOEBONIOSA-N 1 0 350.415 2.131 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828155 685676322 /nfs/dbraw/zinc/67/63/22/685676322.db2.gz FVTVRFIRSPSMCL-NWDGAFQWSA-N 1 0 369.219 2.061 20 5 FEBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000877188614 686337126 /nfs/dbraw/zinc/33/71/26/686337126.db2.gz CDKBTROLPGULDT-UHFFFAOYSA-N 1 0 354.204 2.453 20 5 FEBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000877254633 686343683 /nfs/dbraw/zinc/34/36/83/686343683.db2.gz YTUXHHLDOIUXDV-VIFPVBQESA-N 1 0 356.220 2.475 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280210 686347682 /nfs/dbraw/zinc/34/76/82/686347682.db2.gz UOIITBZGBOCMSM-WDEREUQCSA-N 1 0 372.194 2.463 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280204 686347809 /nfs/dbraw/zinc/34/78/09/686347809.db2.gz UOIITBZGBOCMSM-GHMZBOCLSA-N 1 0 372.194 2.463 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332658 686355589 /nfs/dbraw/zinc/35/55/89/686355589.db2.gz FWMQOETUABQAAC-AWEZNQCLSA-N 1 0 367.833 2.066 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392103 686371189 /nfs/dbraw/zinc/37/11/89/686371189.db2.gz FFLJEKSPQPKDHR-GOEBONIOSA-N 1 0 353.806 2.418 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000877747426 686448557 /nfs/dbraw/zinc/44/85/57/686448557.db2.gz KXJBKSDDQVGJOP-UHFFFAOYSA-N 1 0 352.866 2.460 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)o2)c(Cl)c1 ZINC000877749205 686449489 /nfs/dbraw/zinc/44/94/89/686449489.db2.gz QILKZAAMRKWING-CABCVRRESA-N 1 0 352.774 2.436 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273607 686784653 /nfs/dbraw/zinc/78/46/53/686784653.db2.gz WRBQXNVPFZLSCS-SJORKVTESA-N 1 0 350.415 2.120 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H](C(F)(F)F)O1 ZINC000880060828 686990283 /nfs/dbraw/zinc/99/02/83/686990283.db2.gz YSPRPWGRCLMFML-RNCFNFMXSA-N 1 0 361.320 2.235 20 5 FEBDRO COCC1([N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000880188194 687013364 /nfs/dbraw/zinc/01/33/64/687013364.db2.gz UDNSRGPUEKSYMU-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC000882767811 687479081 /nfs/dbraw/zinc/47/90/81/687479081.db2.gz DADGZBJNTABXGI-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000883374674 687618087 /nfs/dbraw/zinc/61/80/87/687618087.db2.gz LPABJOZZTKZDFW-MIGQKNRLSA-N 1 0 352.456 2.471 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000883477401 687642509 /nfs/dbraw/zinc/64/25/09/687642509.db2.gz BMICEJRXLFGIRL-UHFFFAOYSA-N 1 0 373.862 2.463 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951088 687971747 /nfs/dbraw/zinc/97/17/47/687971747.db2.gz XLWPVQBSUWOEJI-NEPJUHHUSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958134 687975531 /nfs/dbraw/zinc/97/55/31/687975531.db2.gz ZLCMXNCRFCRWTF-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000886899571 688336607 /nfs/dbraw/zinc/33/66/07/688336607.db2.gz OIJMUDDOJCTEML-INIZCTEOSA-N 1 0 353.444 2.058 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887923125 688520372 /nfs/dbraw/zinc/52/03/72/688520372.db2.gz OJOOIDLFWOPSKU-BMIGLBTASA-N 1 0 368.231 2.381 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751773 688816747 /nfs/dbraw/zinc/81/67/47/688816747.db2.gz SBZRYNLAPQVGJO-HUUCEWRRSA-N 1 0 367.833 2.228 20 5 FEBDRO C[C@H]1CC[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC000892293903 689176408 /nfs/dbraw/zinc/17/64/08/689176408.db2.gz HBSGANQUCSBBOC-CABZTGNLSA-N 1 0 371.235 2.297 20 5 FEBDRO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895248742 689684141 /nfs/dbraw/zinc/68/41/41/689684141.db2.gz MYPVXAYVPOJWBY-IAQYHMDHSA-N 1 0 363.849 2.265 20 5 FEBDRO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895250054 689684440 /nfs/dbraw/zinc/68/44/40/689684440.db2.gz ZWBVSHQCFMSFQU-MEDUHNTESA-N 1 0 363.849 2.265 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895550985 689734198 /nfs/dbraw/zinc/73/41/98/689734198.db2.gz USPHCMGCQBMKPJ-UHFFFAOYSA-N 1 0 367.833 2.317 20 5 FEBDRO CCO[C@@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896118134 689823030 /nfs/dbraw/zinc/82/30/30/689823030.db2.gz RLRGLWZYTPUOLP-AWEZNQCLSA-N 1 0 352.435 2.112 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000902904415 690818867 /nfs/dbraw/zinc/81/88/67/690818867.db2.gz KJAZXUQOAJQSBQ-UONOGXRCSA-N 1 0 354.407 2.435 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905425267 691117410 /nfs/dbraw/zinc/11/74/10/691117410.db2.gz OXNNNOCIONFWDI-SJORKVTESA-N 1 0 350.415 2.194 20 5 FEBDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)O2)[C@H]1C ZINC000905487954 691125007 /nfs/dbraw/zinc/12/50/07/691125007.db2.gz VMYPRUPIHMABJZ-LFYPYMNQSA-N 1 0 350.415 2.190 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000905851767 691182810 /nfs/dbraw/zinc/18/28/10/691182810.db2.gz CXAFETVJXCGZMJ-MAZHCROVSA-N 1 0 364.471 2.091 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1F ZINC000906442280 691268994 /nfs/dbraw/zinc/26/89/94/691268994.db2.gz ZEVRMNKYRJZKDA-ZDUSSCGKSA-N 1 0 351.378 2.025 20 5 FEBDRO Nc1c(Cl)cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000906774698 691314012 /nfs/dbraw/zinc/31/40/12/691314012.db2.gz GHTMQJQHXJJXTN-NSHDSACASA-N 1 0 352.822 2.388 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000907856676 691571711 /nfs/dbraw/zinc/57/17/11/691571711.db2.gz DJSVSPLORJEUDZ-UHFFFAOYSA-N 1 0 353.444 2.016 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCC[N@H+]1CCO ZINC000908539717 691695510 /nfs/dbraw/zinc/69/55/10/691695510.db2.gz BGXKPQDCVWIOOY-HNNXBMFYSA-N 1 0 369.849 2.144 20 5 FEBDRO COc1nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164621736 719052299 /nfs/dbraw/zinc/05/22/99/719052299.db2.gz JPMUQHSNXHCUCT-RDJZCZTQSA-N 1 0 369.425 2.494 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811020 720074530 /nfs/dbraw/zinc/07/45/30/720074530.db2.gz NAMFEHMGNKLUSM-VQIMIIECSA-N 1 0 360.458 2.483 20 5 FEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001164733286 720506336 /nfs/dbraw/zinc/50/63/36/720506336.db2.gz ZZIIDJHYEGQDGL-NSHDSACASA-N 1 0 350.810 2.038 20 5 FEBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926900 721871511 /nfs/dbraw/zinc/87/15/11/721871511.db2.gz SPIFUNOOEJXMIV-IRXDYDNUSA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979174 722100730 /nfs/dbraw/zinc/10/07/30/722100730.db2.gz HGASRGJUXSEYSE-WMZOPIPTSA-N 1 0 369.425 2.112 20 5 FEBDRO CC(C)Oc1nc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000519776447 887883813 /nfs/dbraw/zinc/88/38/13/887883813.db2.gz OWMSUMHIKDYYRT-MRXNPFEDSA-N 1 0 365.478 2.461 20 5 FEBDRO CC(C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCN(C)CC1 ZINC000486428297 887912131 /nfs/dbraw/zinc/91/21/31/887912131.db2.gz BZXCEOZIZTWAOZ-INIZCTEOSA-N 1 0 374.445 2.329 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000015171286 539613620 /nfs/dbraw/zinc/61/36/20/539613620.db2.gz OQLCYYVPOMBELZ-ZDUSSCGKSA-N 1 0 370.456 2.019 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000016599545 539634553 /nfs/dbraw/zinc/63/45/53/539634553.db2.gz AFPOFQLHUHGNTJ-MRXNPFEDSA-N 1 0 371.393 2.399 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000026719948 539791759 /nfs/dbraw/zinc/79/17/59/539791759.db2.gz MAABFKJLMKKRPD-CQSZACIVSA-N 1 0 370.456 2.019 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000028013330 539823930 /nfs/dbraw/zinc/82/39/30/539823930.db2.gz NYKOYNFLIUUBOY-ZDUSSCGKSA-N 1 0 355.822 2.335 20 5 FEBDRO C[N@@H+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000033135233 539969902 /nfs/dbraw/zinc/96/99/02/539969902.db2.gz KWHVYWSJOKVKNJ-MRXNPFEDSA-N 1 0 372.425 2.296 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000041644469 540028505 /nfs/dbraw/zinc/02/85/05/540028505.db2.gz NLKVWKDAHZVULP-QWHCGFSZSA-N 1 0 362.430 2.221 20 5 FEBDRO Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000043148286 540091422 /nfs/dbraw/zinc/09/14/22/540091422.db2.gz UEOXBIHLYUCFOH-OAHLLOKOSA-N 1 0 350.419 2.382 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341504 540098153 /nfs/dbraw/zinc/09/81/53/540098153.db2.gz LUCQYUNSILLEJC-LBPRGKRZSA-N 1 0 369.853 2.396 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305693 540461629 /nfs/dbraw/zinc/46/16/29/540461629.db2.gz QZHIOIPQTUMFNI-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000053237946 540519493 /nfs/dbraw/zinc/51/94/93/540519493.db2.gz OYSLPABKHPRPSL-UHFFFAOYSA-N 1 0 374.466 2.334 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055913474 540686392 /nfs/dbraw/zinc/68/63/92/540686392.db2.gz QJUGWRONKAVINF-UHFFFAOYSA-N 1 0 374.441 2.222 20 5 FEBDRO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000055996738 540693205 /nfs/dbraw/zinc/69/32/05/540693205.db2.gz BDPRBGPBTYMOTO-IAGOWNOFSA-N 1 0 369.425 2.352 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057710081 540811192 /nfs/dbraw/zinc/81/11/92/540811192.db2.gz BOLDSLPJMWROIZ-LBPRGKRZSA-N 1 0 367.471 2.436 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000058496573 540845768 /nfs/dbraw/zinc/84/57/68/540845768.db2.gz UUCBGSJXVQIAMI-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000058925285 540860584 /nfs/dbraw/zinc/86/05/84/540860584.db2.gz ZEURDXPJJMQLAM-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000109575185 209308813 /nfs/dbraw/zinc/30/88/13/209308813.db2.gz IGTRVSWGNFXPLQ-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO COCCC[N@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000063550003 541172827 /nfs/dbraw/zinc/17/28/27/541172827.db2.gz TXBSDSJFYRHLIG-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000063850924 541189546 /nfs/dbraw/zinc/18/95/46/541189546.db2.gz IDYHZKFDWBJCDI-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000063768778 541184528 /nfs/dbraw/zinc/18/45/28/541184528.db2.gz GMJCJGUSYQGPAQ-KRWDZBQOSA-N 1 0 371.441 2.135 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000065769785 541260008 /nfs/dbraw/zinc/26/00/08/541260008.db2.gz KFCXQLFNBGFRBW-KRWDZBQOSA-N 1 0 359.430 2.163 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000065770884 541260052 /nfs/dbraw/zinc/26/00/52/541260052.db2.gz UHOSKYLCTDMAOD-CQSZACIVSA-N 1 0 363.443 2.196 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066046033 541278766 /nfs/dbraw/zinc/27/87/66/541278766.db2.gz GSNSPWKNRZRBCZ-UHFFFAOYSA-N 1 0 363.462 2.214 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccccc1 ZINC000065842368 541265289 /nfs/dbraw/zinc/26/52/89/541265289.db2.gz UBWFVWRYDOSVKV-INIZCTEOSA-N 1 0 359.430 2.299 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000065842062 541265666 /nfs/dbraw/zinc/26/56/66/541265666.db2.gz XVQUPZQRIRUGCD-GJZGRUSLSA-N 1 0 374.441 2.165 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)[C@H](C)CC)cc1OC ZINC000066150027 541285036 /nfs/dbraw/zinc/28/50/36/541285036.db2.gz UCLFDFYNECLDNS-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333517 541303443 /nfs/dbraw/zinc/30/34/43/541303443.db2.gz FLGYKSSMOQBTJY-VXGBXAGGSA-N 1 0 361.489 2.303 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000066396051 541313235 /nfs/dbraw/zinc/31/32/35/541313235.db2.gz VDARQUOMSJOFGW-LLYBFZRZSA-N 1 0 359.426 2.320 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066633724 541350933 /nfs/dbraw/zinc/35/09/33/541350933.db2.gz FACMRHZZEXVUQQ-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCCCC1 ZINC000067123612 541420282 /nfs/dbraw/zinc/42/02/82/541420282.db2.gz JXXWLWRTRRHLLP-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO COc1cccc([C@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000067286000 541440519 /nfs/dbraw/zinc/44/05/19/541440519.db2.gz FLGSDWNXOXRFNS-SFHVURJKSA-N 1 0 372.425 2.434 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000068179774 541558644 /nfs/dbraw/zinc/55/86/44/541558644.db2.gz XVQUPZQRIRUGCD-HUUCEWRRSA-N 1 0 374.441 2.165 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000069149025 541662667 /nfs/dbraw/zinc/66/26/67/541662667.db2.gz NYIAWQZTMADINA-MRXNPFEDSA-N 1 0 362.430 2.243 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000069124373 541660600 /nfs/dbraw/zinc/66/06/00/541660600.db2.gz CTRCBDZVUONVBU-AWEZNQCLSA-N 1 0 371.434 2.373 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000071079884 541762958 /nfs/dbraw/zinc/76/29/58/541762958.db2.gz KKYQEKSIFCJTSA-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)cc2)C[C@H](C)O1 ZINC000071952673 541776418 /nfs/dbraw/zinc/77/64/18/541776418.db2.gz KVBKYHNBRGCOTO-STQMWFEESA-N 1 0 372.429 2.188 20 5 FEBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000072066864 541782614 /nfs/dbraw/zinc/78/26/14/541782614.db2.gz QYFPVRWKYPBSJD-UHFFFAOYSA-N 1 0 365.430 2.249 20 5 FEBDRO CNC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665160 541847699 /nfs/dbraw/zinc/84/76/99/541847699.db2.gz OYRPHRKGMAEZNN-HNNXBMFYSA-N 1 0 355.398 2.036 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000072716361 541855335 /nfs/dbraw/zinc/85/53/35/541855335.db2.gz KPJSCFVNKVTAKS-LBPRGKRZSA-N 1 0 359.473 2.009 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858551 541883471 /nfs/dbraw/zinc/88/34/71/541883471.db2.gz UKZWMTNTPUVWTF-AWEZNQCLSA-N 1 0 362.430 2.166 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000073997209 542024022 /nfs/dbraw/zinc/02/40/22/542024022.db2.gz FYRNGHUFYBMLGY-OLZOCXBDSA-N 1 0 362.386 2.429 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000074326625 542070813 /nfs/dbraw/zinc/07/08/13/542070813.db2.gz OVXBNAOAHHLQBI-UHFFFAOYSA-N 1 0 369.421 2.351 20 5 FEBDRO Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075676675 542197970 /nfs/dbraw/zinc/19/79/70/542197970.db2.gz FRNRQGYGWZIZDF-HKUYNNGSSA-N 1 0 358.442 2.415 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076660588 542307735 /nfs/dbraw/zinc/30/77/35/542307735.db2.gz CNBDQEYHDMHBRN-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079806088 542543381 /nfs/dbraw/zinc/54/33/81/542543381.db2.gz ICOZJDBHUMTEPZ-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000080162201 542570316 /nfs/dbraw/zinc/57/03/16/542570316.db2.gz TUGTWBUBLBOILJ-CQSZACIVSA-N 1 0 364.446 2.374 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000080162206 542570688 /nfs/dbraw/zinc/57/06/88/542570688.db2.gz TUGTWBUBLBOILJ-AWEZNQCLSA-N 1 0 364.446 2.374 20 5 FEBDRO Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000080606788 542597233 /nfs/dbraw/zinc/59/72/33/542597233.db2.gz LYCVKINXVQYGJQ-HNNXBMFYSA-N 1 0 356.430 2.316 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000081334895 542649701 /nfs/dbraw/zinc/64/97/01/542649701.db2.gz BTXFGKGWCAIYBX-ZDUSSCGKSA-N 1 0 363.414 2.170 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000081334896 542649726 /nfs/dbraw/zinc/64/97/26/542649726.db2.gz BTXFGKGWCAIYBX-CYBMUJFWSA-N 1 0 363.414 2.170 20 5 FEBDRO CN(C(=O)CN1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000081631852 542669312 /nfs/dbraw/zinc/66/93/12/542669312.db2.gz KPTQUTLROFBIJN-MRXNPFEDSA-N 1 0 360.458 2.221 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCC(CO)CC1 ZINC000089923510 542772737 /nfs/dbraw/zinc/77/27/37/542772737.db2.gz LOAKAPOEZAWQPO-UHFFFAOYSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961494 542777984 /nfs/dbraw/zinc/77/79/84/542777984.db2.gz VJPVWEGVYVCSKC-MSOLQXFVSA-N 1 0 369.421 2.268 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091982545 542834727 /nfs/dbraw/zinc/83/47/27/542834727.db2.gz CRNLBDSHYFPSIW-UHFFFAOYSA-N 1 0 355.398 2.471 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000092660280 542878127 /nfs/dbraw/zinc/87/81/27/542878127.db2.gz UUCNQZPGPKVWJB-GFCCVEGCSA-N 1 0 351.403 2.090 20 5 FEBDRO Cn1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000097126773 543005568 /nfs/dbraw/zinc/00/55/68/543005568.db2.gz LZYGPJWZGLBVHZ-MRXNPFEDSA-N 1 0 357.414 2.065 20 5 FEBDRO COc1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000098144626 543023664 /nfs/dbraw/zinc/02/36/64/543023664.db2.gz RKVGUUAITSBOOX-GOSISDBHSA-N 1 0 371.437 2.112 20 5 FEBDRO CC(C)(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000102219058 543063157 /nfs/dbraw/zinc/06/31/57/543063157.db2.gz QYFTWVSMQLOLHY-CQSZACIVSA-N 1 0 361.402 2.073 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106581960 543239318 /nfs/dbraw/zinc/23/93/18/543239318.db2.gz JSGSQUYFZWDRMW-LLVKDONJSA-N 1 0 355.826 2.006 20 5 FEBDRO O=C1[C@H]([NH+]2CCC(n3ccnc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109792966 543339044 /nfs/dbraw/zinc/33/90/44/543339044.db2.gz GJGLFTAQGZMASK-QGZVFWFLSA-N 1 0 355.398 2.234 20 5 FEBDRO O=C(CN1CCC([NH2+]C2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111300214 543395114 /nfs/dbraw/zinc/39/51/14/543395114.db2.gz MZBWNQMZEYUVRI-UHFFFAOYSA-N 1 0 372.469 2.481 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000111294284 543394025 /nfs/dbraw/zinc/39/40/25/543394025.db2.gz QFSUOAOROIFOIZ-AWEZNQCLSA-N 1 0 360.414 2.010 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000113197812 543476884 /nfs/dbraw/zinc/47/68/84/543476884.db2.gz LDQQSNKRBYMXCO-CQSZACIVSA-N 1 0 365.430 2.363 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305950 543483719 /nfs/dbraw/zinc/48/37/19/543483719.db2.gz KVCFPHXOYOYIDN-WFASDCNBSA-N 1 0 353.444 2.014 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000113899469 543497806 /nfs/dbraw/zinc/49/78/06/543497806.db2.gz HGMHVINUMXMYCJ-DZGCQCFKSA-N 1 0 363.462 2.363 20 5 FEBDRO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115442035 543567612 /nfs/dbraw/zinc/56/76/12/543567612.db2.gz CFVFEHJHDWZEKO-GFCCVEGCSA-N 1 0 351.403 2.026 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116372704 543607852 /nfs/dbraw/zinc/60/78/52/543607852.db2.gz AXDXIIHYXLOSGT-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000122838177 543726662 /nfs/dbraw/zinc/72/66/62/543726662.db2.gz UMMFAZPHLBXTTE-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123598412 543771400 /nfs/dbraw/zinc/77/14/00/543771400.db2.gz JJBRKHGSLHGGME-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000124490951 543825353 /nfs/dbraw/zinc/82/53/53/543825353.db2.gz IIZRUMIMUXSBAU-GFCCVEGCSA-N 1 0 352.410 2.414 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000125034346 543857452 /nfs/dbraw/zinc/85/74/52/543857452.db2.gz GVUWYLCORKBEGG-INIZCTEOSA-N 1 0 371.441 2.421 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000125374321 543877704 /nfs/dbraw/zinc/87/77/04/543877704.db2.gz FIDNUDWDQSEAPU-KDOFPFPSSA-N 1 0 359.426 2.449 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000126057644 543915997 /nfs/dbraw/zinc/91/59/97/543915997.db2.gz FUGMMLWXOVJBHG-GXTWGEPZSA-N 1 0 355.398 2.255 20 5 FEBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000126506664 543940500 /nfs/dbraw/zinc/94/05/00/543940500.db2.gz QPADHVOLYMOMMS-UHFFFAOYSA-N 1 0 361.427 2.162 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)Cc1ccccc1 ZINC000128689872 544067102 /nfs/dbraw/zinc/06/71/02/544067102.db2.gz VZLQECUAHWXGRI-MRXNPFEDSA-N 1 0 373.457 2.320 20 5 FEBDRO CC1(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129102346 544090929 /nfs/dbraw/zinc/09/09/29/544090929.db2.gz JZVGAZZJJHECNV-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1ccnc1 ZINC000129480103 544114417 /nfs/dbraw/zinc/11/44/17/544114417.db2.gz MOETYOGWRVILBU-OLMNPRSZSA-N 1 0 369.425 2.480 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000131271033 544183319 /nfs/dbraw/zinc/18/33/19/544183319.db2.gz HINQGRRLFUBSTC-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000131289258 544184052 /nfs/dbraw/zinc/18/40/52/544184052.db2.gz AYYZCRCCXIBHFM-UHFFFAOYSA-N 1 0 360.389 2.108 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131997164 544214742 /nfs/dbraw/zinc/21/47/42/544214742.db2.gz VKIRKXLKIWFHQQ-PBHICJAKSA-N 1 0 360.414 2.283 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)CC1 ZINC000134038982 544292024 /nfs/dbraw/zinc/29/20/24/544292024.db2.gz SFKYXZAIYVWGPK-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133662870 544279173 /nfs/dbraw/zinc/27/91/73/544279173.db2.gz AGTFBTFJZKKKOK-ZBFHGGJFSA-N 1 0 358.442 2.408 20 5 FEBDRO C[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000133711503 544280541 /nfs/dbraw/zinc/28/05/41/544280541.db2.gz JQBXDTVAVVPRBH-MRXNPFEDSA-N 1 0 370.457 2.248 20 5 FEBDRO CCOC(=O)C1(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000134332976 544303732 /nfs/dbraw/zinc/30/37/32/544303732.db2.gz GMBCHVGBENDKOR-UHFFFAOYSA-N 1 0 369.805 2.006 20 5 FEBDRO CS(=O)(=O)N1CCC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153265788 544754306 /nfs/dbraw/zinc/75/43/06/544754306.db2.gz UUJMJNBWPIVHSY-HNNXBMFYSA-N 1 0 367.471 2.231 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000154236233 544879475 /nfs/dbraw/zinc/87/94/75/544879475.db2.gz UYIZLWULNZPWNA-HNNXBMFYSA-N 1 0 351.451 2.117 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000154715212 544939324 /nfs/dbraw/zinc/93/93/24/544939324.db2.gz CGALQKCVWYYMPZ-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154954974 544970741 /nfs/dbraw/zinc/97/07/41/544970741.db2.gz AJEMKWJNKYFLKM-OAHLLOKOSA-N 1 0 355.460 2.231 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178949513 327618253 /nfs/dbraw/zinc/61/82/53/327618253.db2.gz HSOKIMKNMWZHJF-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000181386084 327727918 /nfs/dbraw/zinc/72/79/18/327727918.db2.gz PIHDSLWSEHPNHS-UHFFFAOYSA-N 1 0 359.423 2.086 20 5 FEBDRO COc1cc(OCC(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000182254304 327768066 /nfs/dbraw/zinc/76/80/66/327768066.db2.gz JKAAPKZVYHJCCK-AWEZNQCLSA-N 1 0 365.430 2.363 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187186834 328007663 /nfs/dbraw/zinc/00/76/63/328007663.db2.gz JXFYKGKEDHQBIA-UGSOOPFHSA-N 1 0 359.430 2.297 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000188209475 328073508 /nfs/dbraw/zinc/07/35/08/328073508.db2.gz ANFJUWGVVATUIB-INIZCTEOSA-N 1 0 357.476 2.381 20 5 FEBDRO CSc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000188186824 328072178 /nfs/dbraw/zinc/07/21/78/328072178.db2.gz YIIHLPVBBTWGMM-ZDUSSCGKSA-N 1 0 365.455 2.111 20 5 FEBDRO COc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000188666608 328102998 /nfs/dbraw/zinc/10/29/98/328102998.db2.gz HFAMWYAGKRNMFI-UHFFFAOYSA-N 1 0 357.366 2.145 20 5 FEBDRO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000188673339 328103344 /nfs/dbraw/zinc/10/33/44/328103344.db2.gz RNHXFAJJVHJOTO-UHFFFAOYSA-N 1 0 363.377 2.314 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000189148325 328131439 /nfs/dbraw/zinc/13/14/39/328131439.db2.gz AZCKUXSTDJINEG-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893748 328174351 /nfs/dbraw/zinc/17/43/51/328174351.db2.gz NHOKVMOTCWZDIG-ZDUSSCGKSA-N 1 0 355.460 2.166 20 5 FEBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000190024986 328183206 /nfs/dbraw/zinc/18/32/06/328183206.db2.gz MRNTYZGRONDKMZ-DOTOQJQBSA-N 1 0 356.394 2.398 20 5 FEBDRO COCCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191237087 328255666 /nfs/dbraw/zinc/25/56/66/328255666.db2.gz PEXDZNDDENTLNL-UHFFFAOYSA-N 1 0 358.398 2.101 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000191871350 328286087 /nfs/dbraw/zinc/28/60/87/328286087.db2.gz KNKQZNAXTCPKCQ-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1cccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000192578809 328326770 /nfs/dbraw/zinc/32/67/70/328326770.db2.gz UUUOKKHQDJVWPE-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000192822513 328341489 /nfs/dbraw/zinc/34/14/89/328341489.db2.gz ANLXBUBTRLRTAK-HUUCEWRRSA-N 1 0 374.441 2.179 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000193260818 328365654 /nfs/dbraw/zinc/36/56/54/328365654.db2.gz PDZMRSUOUKQJLD-JTQLQIEISA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000193283372 328366826 /nfs/dbraw/zinc/36/68/26/328366826.db2.gz BSXDWJOEAOFMLM-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193917371 328401808 /nfs/dbraw/zinc/40/18/08/328401808.db2.gz BZEGRGNOZQPRNY-UHFFFAOYSA-N 1 0 359.423 2.275 20 5 FEBDRO Cc1nn(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000193916843 328401874 /nfs/dbraw/zinc/40/18/74/328401874.db2.gz OVAGQLUOVUPKSD-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000237186104 328507747 /nfs/dbraw/zinc/50/77/47/328507747.db2.gz ZCVTYXHLMGRKFI-LBPRGKRZSA-N 1 0 359.430 2.042 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000076925520 324969774 /nfs/dbraw/zinc/96/97/74/324969774.db2.gz DFRWOUGAMASLBZ-SFHVURJKSA-N 1 0 360.458 2.268 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080485853 325132544 /nfs/dbraw/zinc/13/25/44/325132544.db2.gz PZACJQHZDGRIQV-UHFFFAOYSA-N 1 0 363.336 2.312 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000081329728 325170093 /nfs/dbraw/zinc/17/00/93/325170093.db2.gz UGMBBISLXIOALA-ZDUSSCGKSA-N 1 0 363.414 2.185 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081570354 325184409 /nfs/dbraw/zinc/18/44/09/325184409.db2.gz CBGBCQDTIMDSMD-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000085635819 325256861 /nfs/dbraw/zinc/25/68/61/325256861.db2.gz DESWTWSHPQJTGF-CYBMUJFWSA-N 1 0 363.462 2.217 20 5 FEBDRO COc1cc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)ccc1O ZINC000090591148 325364787 /nfs/dbraw/zinc/36/47/87/325364787.db2.gz ZQPJDQLOSKWVHF-UHFFFAOYSA-N 1 0 359.382 2.135 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]CCNC(=O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000102419772 325492990 /nfs/dbraw/zinc/49/29/90/325492990.db2.gz HAJYEOBWWJJJCI-UHFFFAOYSA-N 1 0 359.382 2.479 20 5 FEBDRO CC[C@H](O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000118752984 326101429 /nfs/dbraw/zinc/10/14/29/326101429.db2.gz BWJXFFMIWGKTPA-LBPRGKRZSA-N 1 0 358.236 2.250 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000118787618 326102665 /nfs/dbraw/zinc/10/26/65/326102665.db2.gz CTDROHCWFQIVEQ-OAHLLOKOSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000119378102 326155448 /nfs/dbraw/zinc/15/54/48/326155448.db2.gz ZEKUSTCSANKFJY-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000119960736 326216347 /nfs/dbraw/zinc/21/63/47/326216347.db2.gz BFBOLRFQDHPRAR-AWEZNQCLSA-N 1 0 362.430 2.175 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000120074106 326227598 /nfs/dbraw/zinc/22/75/98/326227598.db2.gz WIHHHAQWLMASHY-YOEHRIQHSA-N 1 0 371.441 2.127 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000120321075 326249448 /nfs/dbraw/zinc/24/94/48/326249448.db2.gz LLWFHAAKCAZZRH-UHFFFAOYSA-N 1 0 350.419 2.037 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000120599007 326271848 /nfs/dbraw/zinc/27/18/48/326271848.db2.gz SDFIDAQBWKXHQV-HNNXBMFYSA-N 1 0 374.441 2.319 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000120620402 326273695 /nfs/dbraw/zinc/27/36/95/326273695.db2.gz HOEZBQXBOORBNA-KRWDZBQOSA-N 1 0 369.487 2.385 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120701202 326280128 /nfs/dbraw/zinc/28/01/28/326280128.db2.gz KYOOBARLLNHGKB-GXTWGEPZSA-N 1 0 365.430 2.414 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000120724775 326282693 /nfs/dbraw/zinc/28/26/93/326282693.db2.gz ZYZUKISSEVZGQE-MNOVXSKESA-N 1 0 368.821 2.128 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000120901590 326297593 /nfs/dbraw/zinc/29/75/93/326297593.db2.gz PBHONBJCHGWFAV-BLLLJJGKSA-N 1 0 363.414 2.184 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121099519 326313217 /nfs/dbraw/zinc/31/32/17/326313217.db2.gz XBXGCHMMHUKEJJ-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000121679786 326357824 /nfs/dbraw/zinc/35/78/24/326357824.db2.gz FMJOVBBTMTUKIO-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000122004013 326380336 /nfs/dbraw/zinc/38/03/36/326380336.db2.gz FFYBISXBHLHBKI-ROUUACIJSA-N 1 0 361.442 2.021 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000125109262 326465384 /nfs/dbraw/zinc/46/53/84/326465384.db2.gz RFZHESMSHYIPLJ-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000127555107 326508619 /nfs/dbraw/zinc/50/86/19/326508619.db2.gz SYIJHCWQKKUYGT-OAHLLOKOSA-N 1 0 364.446 2.426 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000130105684 326551538 /nfs/dbraw/zinc/55/15/38/326551538.db2.gz DEBZKGKVNGASMS-HNNXBMFYSA-N 1 0 363.462 2.298 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000133317933 326606607 /nfs/dbraw/zinc/60/66/07/326606607.db2.gz BBVVQEWEZLNYII-SECBINFHSA-N 1 0 359.329 2.029 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000134904366 326633303 /nfs/dbraw/zinc/63/33/03/326633303.db2.gz CYIBQDMCKKXZBB-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000155325194 326784758 /nfs/dbraw/zinc/78/47/58/326784758.db2.gz SDHKNARVLJXNNK-UHFFFAOYSA-N 1 0 366.487 2.026 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000159249444 326924350 /nfs/dbraw/zinc/92/43/50/326924350.db2.gz CZQGZYGXWOGAOA-AOOOYVTPSA-N 1 0 371.340 2.171 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000160341256 326962215 /nfs/dbraw/zinc/96/22/15/326962215.db2.gz ONTICDAZGKZWIZ-MSOLQXFVSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161601227 327003862 /nfs/dbraw/zinc/00/38/62/327003862.db2.gz RAASOTJNFZPZAF-UHFFFAOYSA-N 1 0 363.462 2.259 20 5 FEBDRO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000163784971 327058743 /nfs/dbraw/zinc/05/87/43/327058743.db2.gz FGMMWJBNXQIAAF-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1c(CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000164041655 327063531 /nfs/dbraw/zinc/06/35/31/327063531.db2.gz COWCHFXKPOOVRV-UHFFFAOYSA-N 1 0 374.485 2.121 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171453457 327140348 /nfs/dbraw/zinc/14/03/48/327140348.db2.gz VHVAFDDQQHIWHN-INIZCTEOSA-N 1 0 355.398 2.091 20 5 FEBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804183 327162355 /nfs/dbraw/zinc/16/23/55/327162355.db2.gz MBIUVJOZXSJTJI-RYUDHWBXSA-N 1 0 351.451 2.367 20 5 FEBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000172247520 327190056 /nfs/dbraw/zinc/19/00/56/327190056.db2.gz MOCXAEKSTOCQPN-AWEZNQCLSA-N 1 0 357.414 2.133 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172581951 327209389 /nfs/dbraw/zinc/20/93/89/327209389.db2.gz KXUMEFADJAPZGQ-GOSISDBHSA-N 1 0 363.458 2.285 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000173203109 327240831 /nfs/dbraw/zinc/24/08/31/327240831.db2.gz XHYKZBKIEZJUFS-HIFRSBDPSA-N 1 0 371.397 2.173 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173259874 327244914 /nfs/dbraw/zinc/24/49/14/327244914.db2.gz IPIGHEZTMUJLDO-CZUORRHYSA-N 1 0 355.460 2.087 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000173270560 327245678 /nfs/dbraw/zinc/24/56/78/327245678.db2.gz ZHEBPYISKVYLDU-KGLIPLIRSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173374822 327252588 /nfs/dbraw/zinc/25/25/88/327252588.db2.gz GLQBRAFOHWZPKS-IAGOWNOFSA-N 1 0 374.485 2.154 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173830934 327287487 /nfs/dbraw/zinc/28/74/87/327287487.db2.gz BVRABYTUQSHBEA-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173830107 327287522 /nfs/dbraw/zinc/28/75/22/327287522.db2.gz LGKKFYTUJMGATM-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000173847310 327288532 /nfs/dbraw/zinc/28/85/32/327288532.db2.gz HYGSACCYVOMJKF-GXTWGEPZSA-N 1 0 371.434 2.370 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173921385 327294646 /nfs/dbraw/zinc/29/46/46/327294646.db2.gz BCIDBHZBZFCJQN-HNNXBMFYSA-N 1 0 355.460 2.088 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173952941 327297127 /nfs/dbraw/zinc/29/71/27/327297127.db2.gz KOYQRWUYNWYQSZ-GFCCVEGCSA-N 1 0 359.423 2.086 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000174115182 327307042 /nfs/dbraw/zinc/30/70/42/327307042.db2.gz GSJSPUWNUXHDPF-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1[N+](=O)[O-] ZINC000174202647 327312865 /nfs/dbraw/zinc/31/28/65/327312865.db2.gz GFDKXWVZONFZMH-KRWDZBQOSA-N 1 0 360.458 2.009 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174370508 327322801 /nfs/dbraw/zinc/32/28/01/327322801.db2.gz KSSHPORYZQSPKQ-QGZVFWFLSA-N 1 0 361.446 2.229 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175069702 327371971 /nfs/dbraw/zinc/37/19/71/327371971.db2.gz MUZCUKCMBCZUGN-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175281377 327384391 /nfs/dbraw/zinc/38/43/91/327384391.db2.gz MZZFGEMKEWTIPU-QGZVFWFLSA-N 1 0 371.441 2.162 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)CC(C)C ZINC000178278006 327575818 /nfs/dbraw/zinc/57/58/18/327575818.db2.gz KCKSCMNRVVYQQJ-OAHLLOKOSA-N 1 0 372.491 2.411 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255883600 328802695 /nfs/dbraw/zinc/80/26/95/328802695.db2.gz OIPYUGOSVRKJKT-CLFYSBASSA-N 1 0 360.458 2.094 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261629769 328806932 /nfs/dbraw/zinc/80/69/32/328806932.db2.gz HLTMTJICAWGNMV-VYUIOLGVSA-N 1 0 356.220 2.474 20 5 FEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000261788039 328819769 /nfs/dbraw/zinc/81/97/69/328819769.db2.gz KQFGJDFOWRTTJT-NXEZZACHSA-N 1 0 356.220 2.096 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000261857344 328824936 /nfs/dbraw/zinc/82/49/36/328824936.db2.gz QSSDNJWXVJUGAL-JKSUJKDBSA-N 1 0 361.423 2.019 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262303360 328858069 /nfs/dbraw/zinc/85/80/69/328858069.db2.gz XTIITNCUCNUQRL-PBHICJAKSA-N 1 0 355.394 2.418 20 5 FEBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000262646083 328878601 /nfs/dbraw/zinc/87/86/01/328878601.db2.gz KAZSWADFHZNVBO-GOSISDBHSA-N 1 0 354.410 2.252 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000264250166 329004773 /nfs/dbraw/zinc/00/47/73/329004773.db2.gz BGPPMHOCGIIZAE-AWEZNQCLSA-N 1 0 361.446 2.181 20 5 FEBDRO O=C(CN1CC[C@@H]([NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264554025 329035074 /nfs/dbraw/zinc/03/50/74/329035074.db2.gz DFQHKARMZJWEND-QGZVFWFLSA-N 1 0 358.442 2.044 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264939340 329076639 /nfs/dbraw/zinc/07/66/39/329076639.db2.gz VJIQJMUJGJGXML-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO COC(=O)[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265016799 329083321 /nfs/dbraw/zinc/08/33/21/329083321.db2.gz GLPQTQKVTQZSBH-ZDUSSCGKSA-N 1 0 361.398 2.199 20 5 FEBDRO CC(C)C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000265113446 329092209 /nfs/dbraw/zinc/09/22/09/329092209.db2.gz LHHXOJFEKRLWSU-GFCCVEGCSA-N 1 0 351.403 2.072 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000265200635 329101539 /nfs/dbraw/zinc/10/15/39/329101539.db2.gz RBGQZXUUNGFIKS-UHFFFAOYSA-N 1 0 363.393 2.401 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000265541239 329137329 /nfs/dbraw/zinc/13/73/29/329137329.db2.gz OVNSCFOKWMXSLF-UHFFFAOYSA-N 1 0 372.425 2.261 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265741455 329155706 /nfs/dbraw/zinc/15/57/06/329155706.db2.gz BWVJZXAQQKOTQH-UHFFFAOYSA-N 1 0 362.474 2.016 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000265935029 329174244 /nfs/dbraw/zinc/17/42/44/329174244.db2.gz QZSUQRDMDQERMW-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000266014319 329181818 /nfs/dbraw/zinc/18/18/18/329181818.db2.gz QMCCYTKBBYQRSC-SJORKVTESA-N 1 0 350.415 2.355 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000266153139 329195510 /nfs/dbraw/zinc/19/55/10/329195510.db2.gz LEEVGFOEDNKJKM-UHFFFAOYSA-N 1 0 357.414 2.362 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266212325 329201004 /nfs/dbraw/zinc/20/10/04/329201004.db2.gz GLXABHSKGIWVSY-JSGCOSHPSA-N 1 0 355.460 2.165 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000266743489 329255178 /nfs/dbraw/zinc/25/51/78/329255178.db2.gz FSULASNBAJGLAN-UHFFFAOYSA-N 1 0 366.462 2.483 20 5 FEBDRO CC[C@H](NC(=O)NCCC[N@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000267297178 329311778 /nfs/dbraw/zinc/31/17/78/329311778.db2.gz DXHCIHLTDLUADA-INIZCTEOSA-N 1 0 352.435 2.313 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267303292 329312596 /nfs/dbraw/zinc/31/25/96/329312596.db2.gz LZHFWEOLCSOVRE-QGZVFWFLSA-N 1 0 351.472 2.426 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000268538937 329432881 /nfs/dbraw/zinc/43/28/81/329432881.db2.gz RDYKRZQDJLRYIR-UHFFFAOYSA-N 1 0 365.459 2.223 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000269193253 329495124 /nfs/dbraw/zinc/49/51/24/329495124.db2.gz YIFBPLBJMMMMGQ-QMMMGPOBSA-N 1 0 360.183 2.178 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(N)=O)CCOCC1 ZINC000271107549 329662951 /nfs/dbraw/zinc/66/29/51/329662951.db2.gz GNGQVIJCVWKCQU-ZDUSSCGKSA-N 1 0 367.471 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272346421 329772366 /nfs/dbraw/zinc/77/23/66/329772366.db2.gz CKOWBOYMTQROJA-ZDUSSCGKSA-N 1 0 355.460 2.254 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000272586114 329794194 /nfs/dbraw/zinc/79/41/94/329794194.db2.gz FMFBTXCHJYATEA-UHFFFAOYSA-N 1 0 354.410 2.006 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272973821 329827358 /nfs/dbraw/zinc/82/73/58/329827358.db2.gz CAXQBAVZKOGWHX-UHFFFAOYSA-N 1 0 369.487 2.173 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273577396 329876171 /nfs/dbraw/zinc/87/61/71/329876171.db2.gz FGWIREIBUKPQNP-UHFFFAOYSA-N 1 0 359.386 2.249 20 5 FEBDRO CS[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274706434 329972745 /nfs/dbraw/zinc/97/27/45/329972745.db2.gz WJCXWNQQEAIMQR-WDEREUQCSA-N 1 0 353.473 2.320 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CCO1 ZINC000274832274 329984284 /nfs/dbraw/zinc/98/42/84/329984284.db2.gz VBLXVROILPDMRZ-HNNXBMFYSA-N 1 0 356.382 2.138 20 5 FEBDRO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274967668 329997805 /nfs/dbraw/zinc/99/78/05/329997805.db2.gz VYHNOGBBRACGCH-UHFFFAOYSA-N 1 0 374.422 2.497 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275259630 330027495 /nfs/dbraw/zinc/02/74/95/330027495.db2.gz HZKFEPOTXSFNJR-ZDUSSCGKSA-N 1 0 372.429 2.108 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000275782833 330088423 /nfs/dbraw/zinc/08/84/23/330088423.db2.gz JSOOWYUDRDUURH-ZDUSSCGKSA-N 1 0 368.865 2.312 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000275822134 330093257 /nfs/dbraw/zinc/09/32/57/330093257.db2.gz WZWDVHQVDGHGGK-OAHLLOKOSA-N 1 0 354.432 2.162 20 5 FEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827026 330093520 /nfs/dbraw/zinc/09/35/20/330093520.db2.gz SUVPNAWIVGXCFQ-BBRMVZONSA-N 1 0 355.822 2.397 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234666 330234096 /nfs/dbraw/zinc/23/40/96/330234096.db2.gz RIXDBXIYDYJMAO-JKSUJKDBSA-N 1 0 355.394 2.431 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000155400484 545521158 /nfs/dbraw/zinc/52/11/58/545521158.db2.gz IAOSQSIIBDMZRV-ZDUSSCGKSA-N 1 0 355.460 2.326 20 5 FEBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000155512402 545535717 /nfs/dbraw/zinc/53/57/17/545535717.db2.gz MWAJUBIQRXPVMU-NSHDSACASA-N 1 0 374.363 2.118 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156739178 545653653 /nfs/dbraw/zinc/65/36/53/545653653.db2.gz DORRYTFECQBDFW-ZFWWWQNUSA-N 1 0 362.430 2.030 20 5 FEBDRO CCOCCO[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157575754 545755916 /nfs/dbraw/zinc/75/59/16/545755916.db2.gz RIGTULBSPXCCIV-HNNXBMFYSA-N 1 0 362.386 2.272 20 5 FEBDRO O=[N+]([O-])c1ccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302923 561163893 /nfs/dbraw/zinc/16/38/93/561163893.db2.gz MPBAOFQXACCRBK-IBGZPJMESA-N 1 0 359.401 2.461 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478493703 561168348 /nfs/dbraw/zinc/16/83/48/561168348.db2.gz PZRXOAHRPYOWDZ-UHFFFAOYSA-N 1 0 374.372 2.029 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160528761 546048972 /nfs/dbraw/zinc/04/89/72/546048972.db2.gz KJTBGCOZNAFALE-BGGMYYEUSA-N 1 0 373.453 2.492 20 5 FEBDRO Cc1cc(OCC(=O)NC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000478893816 561177255 /nfs/dbraw/zinc/17/72/55/561177255.db2.gz BXNIOHHVDHACEL-UHFFFAOYSA-N 1 0 351.378 2.164 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172234678 546242700 /nfs/dbraw/zinc/24/27/00/546242700.db2.gz XJZOMTLKFKUSRF-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000479943782 561199905 /nfs/dbraw/zinc/19/99/05/561199905.db2.gz XESIAOBCEKPNIX-CQSZACIVSA-N 1 0 371.441 2.409 20 5 FEBDRO CC[N@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1)CC1CC1 ZINC000479992074 561200788 /nfs/dbraw/zinc/20/07/88/561200788.db2.gz MVRNZRGFRHSDDB-UHFFFAOYSA-N 1 0 363.462 2.303 20 5 FEBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176068270 546402054 /nfs/dbraw/zinc/40/20/54/546402054.db2.gz ZECDAKGKDITZNS-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000176119269 546409601 /nfs/dbraw/zinc/40/96/01/546409601.db2.gz GSGQLHZUUABGOG-UHFFFAOYSA-N 1 0 364.446 2.467 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000176279928 546426814 /nfs/dbraw/zinc/42/68/14/546426814.db2.gz UNONJOQEIVEZIF-UHFFFAOYSA-N 1 0 364.446 2.283 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176494114 546453350 /nfs/dbraw/zinc/45/33/50/546453350.db2.gz DDOHEFJCZHDCBH-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000480461478 561209812 /nfs/dbraw/zinc/20/98/12/561209812.db2.gz PYXTVNQDVLSXLD-LBPRGKRZSA-N 1 0 357.414 2.454 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000176674394 546475599 /nfs/dbraw/zinc/47/55/99/546475599.db2.gz ITVIGBCCLABDOK-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176736788 546481584 /nfs/dbraw/zinc/48/15/84/546481584.db2.gz NJORPOSYNYVOLY-BBRMVZONSA-N 1 0 369.425 2.212 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176937800 546511802 /nfs/dbraw/zinc/51/18/02/546511802.db2.gz HUONZLZOVXAXNW-UHFFFAOYSA-N 1 0 371.434 2.419 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036974 546529275 /nfs/dbraw/zinc/52/92/75/546529275.db2.gz JGVCBHQSYMMFDK-TZMCWYRMSA-N 1 0 355.398 2.136 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000555788737 674376763 /nfs/dbraw/zinc/37/67/63/674376763.db2.gz WPZTYTUTQLGHRW-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000177739118 546678477 /nfs/dbraw/zinc/67/84/77/546678477.db2.gz HGEWRRHFWOFNOM-HRCADAONSA-N 1 0 354.451 2.068 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOCC4CC4)CC3)nc2c1 ZINC000481199135 561227686 /nfs/dbraw/zinc/22/76/86/561227686.db2.gz ORFMINHMEZHTJF-UHFFFAOYSA-N 1 0 359.430 2.410 20 5 FEBDRO CN1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000178682868 546831598 /nfs/dbraw/zinc/83/15/98/546831598.db2.gz YGWGLAHRMNDPRK-UHFFFAOYSA-N 1 0 361.423 2.377 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178947994 546878835 /nfs/dbraw/zinc/87/88/35/546878835.db2.gz BWQAXATZVGYUAJ-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1CCOCC1 ZINC000179882704 547023855 /nfs/dbraw/zinc/02/38/55/547023855.db2.gz XVLBQVZWBGGJNY-GFCCVEGCSA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C(C)C)cc1 ZINC000179930354 547030187 /nfs/dbraw/zinc/03/01/87/547030187.db2.gz GPNJWYALGOONKN-QGZVFWFLSA-N 1 0 362.430 2.319 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000482515972 561255403 /nfs/dbraw/zinc/25/54/03/561255403.db2.gz BAQVZWIJHIFXLA-RMIITELYSA-N 1 0 351.403 2.094 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+]2CCCC2)cc1 ZINC000180553751 547129207 /nfs/dbraw/zinc/12/92/07/547129207.db2.gz RKIDZCRQBLKCNB-KRWDZBQOSA-N 1 0 369.425 2.447 20 5 FEBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc2c(c1)OCCO2 ZINC000180617431 547143996 /nfs/dbraw/zinc/14/39/96/547143996.db2.gz BOGJINGCBNZDGF-HNNXBMFYSA-N 1 0 359.382 2.269 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181108426 547251626 /nfs/dbraw/zinc/25/16/26/547251626.db2.gz ILZAFRKXOGDIFF-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181512303 547326672 /nfs/dbraw/zinc/32/66/72/547326672.db2.gz FUNQWDVHKNUCBM-HNNXBMFYSA-N 1 0 365.430 2.463 20 5 FEBDRO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000181574573 547338581 /nfs/dbraw/zinc/33/85/81/547338581.db2.gz YKFGCBQPKLNTOJ-INIZCTEOSA-N 1 0 358.394 2.401 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+]1CCCC1 ZINC000483400462 561276113 /nfs/dbraw/zinc/27/61/13/561276113.db2.gz CGRRYWKYDPADSF-HOTGVXAUSA-N 1 0 367.446 2.315 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182015560 547422614 /nfs/dbraw/zinc/42/26/14/547422614.db2.gz LWSOPJNDPWYXGZ-ZDUSSCGKSA-N 1 0 366.381 2.465 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209128 547620576 /nfs/dbraw/zinc/62/05/76/547620576.db2.gz WUTOAEXUSZXCAU-KDOFPFPSSA-N 1 0 374.441 2.278 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183294775 547634354 /nfs/dbraw/zinc/63/43/54/547634354.db2.gz SLFZBIPZVSEMMO-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183421831 547655000 /nfs/dbraw/zinc/65/50/00/547655000.db2.gz ZBFFERCFLABCGM-OAHLLOKOSA-N 1 0 369.487 2.321 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000183459504 547663782 /nfs/dbraw/zinc/66/37/82/547663782.db2.gz FAADADJSJVLLFB-MNOVXSKESA-N 1 0 361.402 2.323 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000184287912 547800378 /nfs/dbraw/zinc/80/03/78/547800378.db2.gz GDZOPZOLYKBFLN-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000184587318 547850433 /nfs/dbraw/zinc/85/04/33/547850433.db2.gz QWQKHLGHDCMMON-OAHLLOKOSA-N 1 0 367.471 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](CO)CC(C)C ZINC000185372049 547976682 /nfs/dbraw/zinc/97/66/82/547976682.db2.gz RIKHGWGRUYZNQY-CQSZACIVSA-N 1 0 353.419 2.271 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)CC2CCCCC2)c1 ZINC000485883013 561331071 /nfs/dbraw/zinc/33/10/71/561331071.db2.gz LSYHNPBAZHALEU-KRWDZBQOSA-N 1 0 352.431 2.209 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000186780434 548191053 /nfs/dbraw/zinc/19/10/53/548191053.db2.gz TUAVIPUMZOGKRK-HNNXBMFYSA-N 1 0 369.487 2.321 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186946966 548226264 /nfs/dbraw/zinc/22/62/64/548226264.db2.gz XTQADFKEJZDLPW-STQMWFEESA-N 1 0 350.419 2.183 20 5 FEBDRO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)[C@@H](C)N1CCOCC1 ZINC000216901352 548678386 /nfs/dbraw/zinc/67/83/86/548678386.db2.gz KICPALFDIVLIHQ-MCIONIFRSA-N 1 0 367.471 2.301 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CCCC[NH2+]1 ZINC000236567857 548766681 /nfs/dbraw/zinc/76/66/81/548766681.db2.gz LLQMEFJJSGZDHQ-LLVKDONJSA-N 1 0 356.220 2.158 20 5 FEBDRO CC1(C)CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236630723 548770364 /nfs/dbraw/zinc/77/03/64/548770364.db2.gz BVZOEJAPALLJPV-UHFFFAOYSA-N 1 0 355.460 2.432 20 5 FEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1CC[NH+](C2CC2)CC1 ZINC000487513271 561371121 /nfs/dbraw/zinc/37/11/21/561371121.db2.gz KUBBBBSLNHQUGL-UHFFFAOYSA-N 1 0 353.369 2.406 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237214689 548808569 /nfs/dbraw/zinc/80/85/69/548808569.db2.gz OYSWGMNBVRRDAI-GXTWGEPZSA-N 1 0 367.471 2.422 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000237638064 548841759 /nfs/dbraw/zinc/84/17/59/548841759.db2.gz DLSISKHONCZIKA-KRWDZBQOSA-N 1 0 371.441 2.328 20 5 FEBDRO CC(C)[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1C ZINC000487957385 561379733 /nfs/dbraw/zinc/37/97/33/561379733.db2.gz XEGVIFFWPUYOAU-MRXNPFEDSA-N 1 0 362.430 2.165 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245539705 548942303 /nfs/dbraw/zinc/94/23/03/548942303.db2.gz HUVUHOBDDVFFHP-XJKSGUPXSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000245546822 548944654 /nfs/dbraw/zinc/94/46/54/548944654.db2.gz WTCJZBAIHSMYPP-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246218181 549081717 /nfs/dbraw/zinc/08/17/17/549081717.db2.gz PTMOWNADTUXOSL-GXFFZTMASA-N 1 0 361.851 2.209 20 5 FEBDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246556550 549161145 /nfs/dbraw/zinc/16/11/45/549161145.db2.gz KSTSXWQPPVSDHV-NVXWUHKLSA-N 1 0 372.425 2.224 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488983873 561401052 /nfs/dbraw/zinc/40/10/52/561401052.db2.gz PUJIPVSMJBNOBT-AWEZNQCLSA-N 1 0 364.446 2.240 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247167425 549294029 /nfs/dbraw/zinc/29/40/29/549294029.db2.gz UMQKGQJPBNHWNV-GOEBONIOSA-N 1 0 367.471 2.262 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248345199 549421041 /nfs/dbraw/zinc/42/10/41/549421041.db2.gz MMUHMOANZUSMDX-KGLIPLIRSA-N 1 0 362.430 2.101 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248433365 549435772 /nfs/dbraw/zinc/43/57/72/549435772.db2.gz XFOXNBZCJOGMFC-ZFWWWQNUSA-N 1 0 355.460 2.087 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@H]12 ZINC000248638594 549474040 /nfs/dbraw/zinc/47/40/40/549474040.db2.gz QWIVNUPZWDXWJJ-FHLIZLRMSA-N 1 0 361.445 2.350 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000248750480 549495893 /nfs/dbraw/zinc/49/58/93/549495893.db2.gz UEOKFGGWHNJVHS-SUMWQHHRSA-N 1 0 365.455 2.232 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248956044 549531007 /nfs/dbraw/zinc/53/10/07/549531007.db2.gz BMXVUFRVVQSOHG-KBPBESRZSA-N 1 0 355.460 2.315 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000249125455 549557342 /nfs/dbraw/zinc/55/73/42/549557342.db2.gz CHKFJUNBZOJWPC-BBRMVZONSA-N 1 0 362.430 2.030 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000249188953 549567523 /nfs/dbraw/zinc/56/75/23/549567523.db2.gz OWCQQJWPRGSMBM-CABCVRRESA-N 1 0 369.487 2.177 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000489943371 561422916 /nfs/dbraw/zinc/42/29/16/561422916.db2.gz BDPQJWRLPAVMNZ-SNVBAGLBSA-N 1 0 360.336 2.141 20 5 FEBDRO CCCCN(Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000489963682 561423544 /nfs/dbraw/zinc/42/35/44/561423544.db2.gz FSCOHEQSQLAFKZ-AWEZNQCLSA-N 1 0 356.444 2.393 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000261551463 549732120 /nfs/dbraw/zinc/73/21/20/549732120.db2.gz VLDCGXQSDJKEDB-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261732132 549748508 /nfs/dbraw/zinc/74/85/08/549748508.db2.gz MBCLDSYNPVGUHS-SFHVURJKSA-N 1 0 369.425 2.273 20 5 FEBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000261774170 549754161 /nfs/dbraw/zinc/75/41/61/549754161.db2.gz RPMPUWBWDLHTEQ-UHFFFAOYSA-N 1 0 373.340 2.403 20 5 FEBDRO COc1cc(CN2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000261781763 549754592 /nfs/dbraw/zinc/75/45/92/549754592.db2.gz UCPIQBTYLFJNFD-MRXNPFEDSA-N 1 0 359.373 2.418 20 5 FEBDRO [NH3+][C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1c1ccccc1 ZINC000261880164 549766005 /nfs/dbraw/zinc/76/60/05/549766005.db2.gz YJCNPGJUBFFCIR-IPMKNSEASA-N 1 0 366.421 2.127 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000261982229 549777452 /nfs/dbraw/zinc/77/74/52/549777452.db2.gz IOMZPHLKXQCBLF-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264153746 549985764 /nfs/dbraw/zinc/98/57/64/549985764.db2.gz ZSDFOQMKINVLRW-UHFFFAOYSA-N 1 0 366.462 2.483 20 5 FEBDRO COc1cc(CN2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491091869 561442850 /nfs/dbraw/zinc/44/28/50/561442850.db2.gz QOUZZIYCVSSGAV-LLVKDONJSA-N 1 0 359.373 2.383 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)N2CC[NH+](C)CC2)cc1Cl ZINC000268828323 550120517 /nfs/dbraw/zinc/12/05/17/550120517.db2.gz RKFDHVLXOMKWIH-NSHDSACASA-N 1 0 370.837 2.083 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000269109348 550156274 /nfs/dbraw/zinc/15/62/74/550156274.db2.gz AIMQMWIJAMAYPG-DLBZAZTESA-N 1 0 362.430 2.403 20 5 FEBDRO C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269197478 550166660 /nfs/dbraw/zinc/16/66/60/550166660.db2.gz LSLAYABCSQUCKR-VHSXEESVSA-N 1 0 356.220 2.475 20 5 FEBDRO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781066 561452639 /nfs/dbraw/zinc/45/26/39/561452639.db2.gz ACFOLVFGCAZDTC-RDJZCZTQSA-N 1 0 362.474 2.061 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC000269424754 550193923 /nfs/dbraw/zinc/19/39/23/550193923.db2.gz LUYXCUQYWHPNHT-INIZCTEOSA-N 1 0 355.398 2.382 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707304 561457739 /nfs/dbraw/zinc/45/77/39/561457739.db2.gz NERQXIOQJPQNTI-NVXWUHKLSA-N 1 0 351.403 2.073 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708182 561457798 /nfs/dbraw/zinc/45/77/98/561457798.db2.gz OZXREGGBLFALQE-KCTSRDHCSA-N 1 0 351.403 2.071 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000270592016 550287141 /nfs/dbraw/zinc/28/71/41/550287141.db2.gz TWYUMUABMNWJAZ-UHFFFAOYSA-N 1 0 365.393 2.422 20 5 FEBDRO CS[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270637725 550291834 /nfs/dbraw/zinc/29/18/34/550291834.db2.gz IFRPFJXFYYHMTH-HOTGVXAUSA-N 1 0 366.487 2.209 20 5 FEBDRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674545 550394182 /nfs/dbraw/zinc/39/41/82/550394182.db2.gz ITQGYSQJIVANAM-MLGOLLRUSA-N 1 0 352.460 2.392 20 5 FEBDRO CS[C@@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271683846 550395006 /nfs/dbraw/zinc/39/50/06/550395006.db2.gz ZOAVMGVPYFKMLR-HZPDHXFCSA-N 1 0 366.487 2.215 20 5 FEBDRO C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271759102 550400123 /nfs/dbraw/zinc/40/01/23/550400123.db2.gz VETODQPREHKQOL-CABCVRRESA-N 1 0 362.430 2.020 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000272285657 550434621 /nfs/dbraw/zinc/43/46/21/550434621.db2.gz YZFIQZROELWUCG-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1OC ZINC000272627944 550461564 /nfs/dbraw/zinc/46/15/64/550461564.db2.gz BCGSYFDWAKAYBZ-LBPRGKRZSA-N 1 0 363.414 2.382 20 5 FEBDRO CC1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000272975544 550479002 /nfs/dbraw/zinc/47/90/02/550479002.db2.gz IDWYMNWZZDWXBW-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000273407423 550497390 /nfs/dbraw/zinc/49/73/90/550497390.db2.gz XDWZOHDFJIBHSN-AWEZNQCLSA-N 1 0 362.382 2.181 20 5 FEBDRO CS[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274062606 550521868 /nfs/dbraw/zinc/52/18/68/550521868.db2.gz OYNCDMZMFRYMQI-WBVHZDCISA-N 1 0 351.472 2.485 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274847390 550558956 /nfs/dbraw/zinc/55/89/56/550558956.db2.gz AICDPGJTOPLUIS-VXGBXAGGSA-N 1 0 367.475 2.093 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[S@@](=O)CC1 ZINC000277169100 550639381 /nfs/dbraw/zinc/63/93/81/550639381.db2.gz KQUUPOHYORELAD-RZFZLAGVSA-N 1 0 353.444 2.075 20 5 FEBDRO C[C@@H](CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)[NH+](C)C ZINC000277181521 550640626 /nfs/dbraw/zinc/64/06/26/550640626.db2.gz VMZRRJQSEATYLP-JTQLQIEISA-N 1 0 351.794 2.156 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277420211 550668506 /nfs/dbraw/zinc/66/85/06/550668506.db2.gz CULHWVPVPZUIGM-CYBMUJFWSA-N 1 0 361.398 2.113 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000277445490 550671515 /nfs/dbraw/zinc/67/15/15/550671515.db2.gz HBKHWRLFMNNOSN-ZDUSSCGKSA-N 1 0 360.414 2.307 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044297 550742452 /nfs/dbraw/zinc/74/24/52/550742452.db2.gz CHGFCDDBBXSDGU-CJNGLKHVSA-N 1 0 370.409 2.336 20 5 FEBDRO COCCO[C@@H]1C[C@H](CO)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253806 550765669 /nfs/dbraw/zinc/76/56/69/550765669.db2.gz HOPNPSREEBRQGS-HLLBOEOZSA-N 1 0 352.431 2.310 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278265351 550766831 /nfs/dbraw/zinc/76/68/31/550766831.db2.gz QWSXWDCITBVJSB-UHFFFAOYSA-N 1 0 362.386 2.416 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000278550261 550798171 /nfs/dbraw/zinc/79/81/71/550798171.db2.gz YXHAGTLZFCUEDN-OAHLLOKOSA-N 1 0 359.430 2.486 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000278772069 550820424 /nfs/dbraw/zinc/82/04/24/550820424.db2.gz NRCPNKSTXQABNI-WKPIXPDZSA-N 1 0 371.821 2.359 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278827873 550826486 /nfs/dbraw/zinc/82/64/86/550826486.db2.gz UQXXSTHEGJCMLO-CYBMUJFWSA-N 1 0 374.441 2.169 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279324194 550877622 /nfs/dbraw/zinc/87/76/22/550877622.db2.gz OJIOSCMORWEKMC-SJCJKPOMSA-N 1 0 363.414 2.431 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCC3OCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000280299060 550978112 /nfs/dbraw/zinc/97/81/12/550978112.db2.gz VMEHDGICWHMWPS-UHFFFAOYSA-N 1 0 365.430 2.269 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)n1 ZINC000280514576 551002457 /nfs/dbraw/zinc/00/24/57/551002457.db2.gz NSZHIDXWYDJPFY-LLVKDONJSA-N 1 0 360.292 2.013 20 5 FEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281162447 551069704 /nfs/dbraw/zinc/06/97/04/551069704.db2.gz LRXJMSORDAQGBH-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)OC ZINC000281337246 551086105 /nfs/dbraw/zinc/08/61/05/551086105.db2.gz MFKOKKHULJBZBC-LBPRGKRZSA-N 1 0 367.402 2.206 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281400535 551092447 /nfs/dbraw/zinc/09/24/47/551092447.db2.gz NMLLCYXWNKUING-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO Cn1c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000497881780 561510647 /nfs/dbraw/zinc/51/06/47/561510647.db2.gz UGDPLADKCNPJLQ-UHFFFAOYSA-N 1 0 356.426 2.370 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284201464 551503077 /nfs/dbraw/zinc/50/30/77/551503077.db2.gz SMSUIXXQLDDESF-CYBMUJFWSA-N 1 0 364.402 2.188 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000284448583 551551171 /nfs/dbraw/zinc/55/11/71/551551171.db2.gz QTTFJNNGLBEKDY-LSDHHAIUSA-N 1 0 353.444 2.111 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284450329 551551706 /nfs/dbraw/zinc/55/17/06/551551706.db2.gz QWIOKKGEQWURDR-LBPRGKRZSA-N 1 0 352.410 2.414 20 5 FEBDRO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(=O)N1C1CC1 ZINC000284513528 551566681 /nfs/dbraw/zinc/56/66/81/551566681.db2.gz LHYKPXKSDVITSD-VQIMIIECSA-N 1 0 369.425 2.313 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000498569003 561528819 /nfs/dbraw/zinc/52/88/19/561528819.db2.gz DUERDCSUDLRRDR-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285399446 551750137 /nfs/dbraw/zinc/75/01/37/551750137.db2.gz XRPSVNZCITZOJZ-KGLIPLIRSA-N 1 0 353.806 2.102 20 5 FEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285529758 551770347 /nfs/dbraw/zinc/77/03/47/551770347.db2.gz HGRXHRDGKQQZNY-UONOGXRCSA-N 1 0 355.460 2.259 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285578442 551777775 /nfs/dbraw/zinc/77/77/75/551777775.db2.gz OFEPLZYPBCZZMA-YOEHRIQHSA-N 1 0 358.442 2.043 20 5 FEBDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000286256454 551866465 /nfs/dbraw/zinc/86/64/65/551866465.db2.gz VJURIPYYCZJHCA-HNNXBMFYSA-N 1 0 358.398 2.218 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286565350 551900540 /nfs/dbraw/zinc/90/05/40/551900540.db2.gz DOKICWRGPWQRDP-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286571584 551901322 /nfs/dbraw/zinc/90/13/22/551901322.db2.gz UOFKTBODIRDBNH-ZDUSSCGKSA-N 1 0 350.375 2.384 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286738555 551920768 /nfs/dbraw/zinc/92/07/68/551920768.db2.gz OJBQXNHTWXJXOV-GXTWGEPZSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000287436426 552003686 /nfs/dbraw/zinc/00/36/86/552003686.db2.gz QWDJROVHDYSHIO-GDBMZVCRSA-N 1 0 361.442 2.455 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000499424257 561550667 /nfs/dbraw/zinc/55/06/67/561550667.db2.gz ABAFFCATBFOTPC-UHFFFAOYSA-N 1 0 357.414 2.317 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000500108026 561566142 /nfs/dbraw/zinc/56/61/42/561566142.db2.gz DRKIDZNVZCHLAH-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000289208388 552282960 /nfs/dbraw/zinc/28/29/60/552282960.db2.gz KHJJYGNDAVXLDO-HDJSIYSDSA-N 1 0 357.414 2.275 20 5 FEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289385212 552312474 /nfs/dbraw/zinc/31/24/74/552312474.db2.gz LSZOGTSWCYBJRC-SFHVURJKSA-N 1 0 367.446 2.345 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289780557 552377386 /nfs/dbraw/zinc/37/73/86/552377386.db2.gz ONEVOHWITMIXGQ-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000289937841 552402569 /nfs/dbraw/zinc/40/25/69/552402569.db2.gz WUQVMWRDVMJBPU-CQSZACIVSA-N 1 0 363.462 2.162 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289987508 552410332 /nfs/dbraw/zinc/41/03/32/552410332.db2.gz VNKBPGMCVFALOM-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290075756 552423801 /nfs/dbraw/zinc/42/38/01/552423801.db2.gz INRKFUMCTOSVKK-RYUDHWBXSA-N 1 0 353.806 2.085 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931957 561586118 /nfs/dbraw/zinc/58/61/18/561586118.db2.gz WUPZGHAVWXOGSV-HUUCEWRRSA-N 1 0 369.487 2.320 20 5 FEBDRO C[NH+](C)CCCOc1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1 ZINC000290664570 552515730 /nfs/dbraw/zinc/51/57/30/552515730.db2.gz QIWHWUICIHISIJ-UHFFFAOYSA-N 1 0 373.413 2.031 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290923539 552562853 /nfs/dbraw/zinc/56/28/53/552562853.db2.gz IPAHOBASCPXLKS-LBPRGKRZSA-N 1 0 370.413 2.121 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCNC2=O)cc1 ZINC000291345147 552616989 /nfs/dbraw/zinc/61/69/89/552616989.db2.gz XEYMPJPYRBAGBD-ZDUSSCGKSA-N 1 0 358.402 2.062 20 5 FEBDRO CC(C)[NH+]1CCN(CCCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000291733827 552655842 /nfs/dbraw/zinc/65/58/42/552655842.db2.gz XZYCRUDGQQQSEZ-UHFFFAOYSA-N 1 0 358.442 2.326 20 5 FEBDRO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292313617 552715058 /nfs/dbraw/zinc/71/50/58/552715058.db2.gz OLSXUIQBGMXXAU-CYBMUJFWSA-N 1 0 367.471 2.309 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000292963979 552775386 /nfs/dbraw/zinc/77/53/86/552775386.db2.gz DCMFFBCGCNZHTE-AWEZNQCLSA-N 1 0 358.442 2.409 20 5 FEBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292978162 552776836 /nfs/dbraw/zinc/77/68/36/552776836.db2.gz HCCPELUOXAKFAZ-WBVHZDCISA-N 1 0 352.431 2.111 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000293304454 552809744 /nfs/dbraw/zinc/80/97/44/552809744.db2.gz WPWGHBYTGDMWOX-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293572771 552836652 /nfs/dbraw/zinc/83/66/52/552836652.db2.gz YDZFRCDEJBNVBH-KWQFWETISA-N 1 0 372.194 2.320 20 5 FEBDRO C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293653513 552844302 /nfs/dbraw/zinc/84/43/02/552844302.db2.gz ISAXOMJFKFLRPR-ZDUSSCGKSA-N 1 0 372.425 2.495 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000293668277 552845361 /nfs/dbraw/zinc/84/53/61/552845361.db2.gz KCGYGENWZOJKHY-GFCCVEGCSA-N 1 0 362.386 2.449 20 5 FEBDRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000294929860 552945162 /nfs/dbraw/zinc/94/51/62/552945162.db2.gz KWHBPJMDFMCXDS-YOGCLGLASA-N 1 0 351.378 2.488 20 5 FEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000295267377 552978598 /nfs/dbraw/zinc/97/85/98/552978598.db2.gz JGZBRRRQHSTJLS-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)[C@H]2C1 ZINC000295678125 553043376 /nfs/dbraw/zinc/04/33/76/553043376.db2.gz VGNJGQWCIWVNJK-JKSUJKDBSA-N 1 0 367.833 2.492 20 5 FEBDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295747597 553053918 /nfs/dbraw/zinc/05/39/18/553053918.db2.gz XBUQPLIISNFWGY-LSDHHAIUSA-N 1 0 355.394 2.255 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295983808 553084600 /nfs/dbraw/zinc/08/46/00/553084600.db2.gz WOLXDMWDCLOPNL-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284043 553273470 /nfs/dbraw/zinc/27/34/70/553273470.db2.gz LLPYITUPLLMTMF-ZBFHGGJFSA-N 1 0 351.447 2.491 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000297326013 553278559 /nfs/dbraw/zinc/27/85/59/553278559.db2.gz HKWFWDRSMFLKIT-AWEZNQCLSA-N 1 0 350.419 2.126 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297947134 553360944 /nfs/dbraw/zinc/36/09/44/553360944.db2.gz SNUASBUKFOAZAF-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO CCc1nn(C)c(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000503314830 561639321 /nfs/dbraw/zinc/63/93/21/561639321.db2.gz JPVWWWVYEQTPFR-UHFFFAOYSA-N 1 0 365.478 2.220 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)[NH+](C)C ZINC000298104477 553384630 /nfs/dbraw/zinc/38/46/30/553384630.db2.gz LRHDIIYJSQYSDR-INIZCTEOSA-N 1 0 364.446 2.324 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298368621 553417574 /nfs/dbraw/zinc/41/75/74/553417574.db2.gz CSENHFOYCIMAHA-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO CCO[C@H]1C[C@](CO)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000298596723 553446678 /nfs/dbraw/zinc/44/66/78/553446678.db2.gz SAZBKPGJCBMLSQ-MAUKXSAKSA-N 1 0 365.430 2.079 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000298664338 553456069 /nfs/dbraw/zinc/45/60/69/553456069.db2.gz BSKRBYVREYVWTK-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000298966875 553496524 /nfs/dbraw/zinc/49/65/24/553496524.db2.gz ZBMLFAKFJQZYSQ-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000299460288 553566621 /nfs/dbraw/zinc/56/66/21/553566621.db2.gz XGVURYLTBWEUNT-UHFFFAOYSA-N 1 0 353.394 2.492 20 5 FEBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N(C)C ZINC000299644519 553594964 /nfs/dbraw/zinc/59/49/64/553594964.db2.gz QUUTXTYVWAMSAK-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302704 561655882 /nfs/dbraw/zinc/65/58/82/561655882.db2.gz OKLBDQWPCQFKJY-HOTGVXAUSA-N 1 0 373.457 2.053 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299699442 553602328 /nfs/dbraw/zinc/60/23/28/553602328.db2.gz OTJDOBHBLPOWBM-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)NC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000299734490 553610103 /nfs/dbraw/zinc/61/01/03/553610103.db2.gz ZPWNGSMDCGZWIZ-VIFPVBQESA-N 1 0 362.308 2.024 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523675 553657936 /nfs/dbraw/zinc/65/79/36/553657936.db2.gz GUFHHHZKJGIMTA-ZFWWWQNUSA-N 1 0 371.441 2.336 20 5 FEBDRO COc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301629515 553667229 /nfs/dbraw/zinc/66/72/29/553667229.db2.gz ICYDTEOVIHAPSV-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301667487 553669914 /nfs/dbraw/zinc/66/99/14/553669914.db2.gz CSSZNUVAQVJZBN-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000301930556 553692723 /nfs/dbraw/zinc/69/27/23/553692723.db2.gz KTQQASABKMCYTB-UHFFFAOYSA-N 1 0 373.500 2.372 20 5 FEBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302021752 553698348 /nfs/dbraw/zinc/69/83/48/553698348.db2.gz OHGKLTZROZQUJE-OAHLLOKOSA-N 1 0 356.430 2.458 20 5 FEBDRO CCc1nn(C)c(NC2CC[NH+](CC3(O)CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302027268 553698808 /nfs/dbraw/zinc/69/88/08/553698808.db2.gz IPVYRTUDFXAWAL-UHFFFAOYSA-N 1 0 365.478 2.462 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302135815 553706007 /nfs/dbraw/zinc/70/60/07/553706007.db2.gz MKWYKDAKHBCZOM-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000505402966 561670403 /nfs/dbraw/zinc/67/04/03/561670403.db2.gz NBBPWIPCKCCIRF-UHFFFAOYSA-N 1 0 374.445 2.366 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)(F)F ZINC000307830501 553752317 /nfs/dbraw/zinc/75/23/17/553752317.db2.gz ZSLNRXHRKXWKSG-VIFPVBQESA-N 1 0 370.125 2.367 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976192 553762813 /nfs/dbraw/zinc/76/28/13/553762813.db2.gz FLYZUXAHQTVOSJ-ZJUUUORDSA-N 1 0 369.219 2.061 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000330606543 554145453 /nfs/dbraw/zinc/14/54/53/554145453.db2.gz KRBKSQYGNGOYLE-UONOGXRCSA-N 1 0 361.851 2.198 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000330665127 554153341 /nfs/dbraw/zinc/15/33/41/554153341.db2.gz VFBXDKVMUZGPGL-KBPBESRZSA-N 1 0 357.863 2.295 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330912006 554187222 /nfs/dbraw/zinc/18/72/22/554187222.db2.gz ZMPOABGZTQXCRV-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1C ZINC000331013575 554201381 /nfs/dbraw/zinc/20/13/81/554201381.db2.gz WQGKVAPCILGKPP-CYBMUJFWSA-N 1 0 357.476 2.466 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000331148553 554222291 /nfs/dbraw/zinc/22/22/91/554222291.db2.gz OBAMFIMCBIIAIE-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000331220122 554233167 /nfs/dbraw/zinc/23/31/67/554233167.db2.gz JAIKOEAESQLGLP-AWEZNQCLSA-N 1 0 355.460 2.363 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331493598 554274535 /nfs/dbraw/zinc/27/45/35/554274535.db2.gz KSBDVNSHAJYEJW-LLVKDONJSA-N 1 0 354.204 2.324 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331851154 554330905 /nfs/dbraw/zinc/33/09/05/554330905.db2.gz CZZLGZULHHFHFR-UONOGXRCSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331918257 554346313 /nfs/dbraw/zinc/34/63/13/554346313.db2.gz NYAIIJQPFOVPSE-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+]1CCCC1 ZINC000331922150 554346803 /nfs/dbraw/zinc/34/68/03/554346803.db2.gz JSHWHWUUGDHTOD-SJORKVTESA-N 1 0 363.483 2.484 20 5 FEBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021951 554365310 /nfs/dbraw/zinc/36/53/10/554365310.db2.gz RCCSOYLWEISQLW-WBMJQRKESA-N 1 0 367.471 2.331 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000332079937 554375628 /nfs/dbraw/zinc/37/56/28/554375628.db2.gz IYFIMZXHJKFFAT-HOCLYGCPSA-N 1 0 367.471 2.459 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332246677 554409128 /nfs/dbraw/zinc/40/91/28/554409128.db2.gz ATUWWGUHSOSBHT-NEPJUHHUSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1c(NC(=O)N2CCC[NH2+]CC2)cc(Br)cc1[N+](=O)[O-] ZINC000332252874 554410560 /nfs/dbraw/zinc/41/05/60/554410560.db2.gz CQBBZPFUCWPNPF-UHFFFAOYSA-N 1 0 357.208 2.493 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000509941989 561819374 /nfs/dbraw/zinc/81/93/74/561819374.db2.gz HZUXXYVCJGQRGL-CQSZACIVSA-N 1 0 374.397 2.047 20 5 FEBDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@@H](C)O1 ZINC000332461712 554450206 /nfs/dbraw/zinc/45/02/06/554450206.db2.gz JLWIYNRKAQEHFB-ZIAGYGMSSA-N 1 0 364.446 2.274 20 5 FEBDRO COc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc([N+](=O)[O-])c1OC ZINC000610175566 554471458 /nfs/dbraw/zinc/47/14/58/554471458.db2.gz HILBWYPUPFZDKM-UHFFFAOYSA-N 1 0 369.337 2.445 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000332571423 554474233 /nfs/dbraw/zinc/47/42/33/554474233.db2.gz ZBYGKKMMXZOVAH-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000511004479 561853775 /nfs/dbraw/zinc/85/37/75/561853775.db2.gz RCQYQBZRKQKMNE-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023437 554859773 /nfs/dbraw/zinc/85/97/73/554859773.db2.gz RORQPOSBLPDZBF-BDJLRTHQSA-N 1 0 366.805 2.058 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425429 561868881 /nfs/dbraw/zinc/86/88/81/561868881.db2.gz LYBOXVXKLCKFOQ-UKRRQHHQSA-N 1 0 357.414 2.202 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511491547 561870832 /nfs/dbraw/zinc/87/08/32/561870832.db2.gz GOKFKUQLECLAIK-NDOICKTLSA-N 1 0 361.442 2.471 20 5 FEBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000362665790 554979235 /nfs/dbraw/zinc/97/92/35/554979235.db2.gz MEYBTHAGNBSGGX-CYBMUJFWSA-N 1 0 357.414 2.284 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363042831 555017293 /nfs/dbraw/zinc/01/72/93/555017293.db2.gz QCKSTRGQMRVYMV-CQSZACIVSA-N 1 0 360.414 2.280 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000363079470 555025689 /nfs/dbraw/zinc/02/56/89/555025689.db2.gz ZUSIVBDWMJYAPC-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000363829075 555194660 /nfs/dbraw/zinc/19/46/60/555194660.db2.gz SSBGEYRALAGTEH-JKSUJKDBSA-N 1 0 362.430 2.356 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000364064030 555243407 /nfs/dbraw/zinc/24/34/07/555243407.db2.gz OYBRDPFCQAWKFW-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000512618047 561910313 /nfs/dbraw/zinc/91/03/13/561910313.db2.gz HOAFJCDAZYHAAJ-DVOMOZLQSA-N 1 0 355.460 2.287 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364893377 555428356 /nfs/dbraw/zinc/42/83/56/555428356.db2.gz RCEBWMXUHMZYJN-SFHVURJKSA-N 1 0 371.397 2.070 20 5 FEBDRO CCC[C@@]1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000512869146 561918303 /nfs/dbraw/zinc/91/83/03/561918303.db2.gz ODEKWZHSBRWQDF-QGZVFWFLSA-N 1 0 352.387 2.195 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512983048 561921771 /nfs/dbraw/zinc/92/17/71/561921771.db2.gz LESBTDNRZIFGQD-CYBMUJFWSA-N 1 0 361.851 2.152 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365542943 555604714 /nfs/dbraw/zinc/60/47/14/555604714.db2.gz ANADFKZESLUIBX-RRFJBIMHSA-N 1 0 374.397 2.368 20 5 FEBDRO C[C@@H]1CN(Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)C[C@H](C)O1 ZINC000513377696 561936090 /nfs/dbraw/zinc/93/60/90/561936090.db2.gz VYFQPHKUDUPEGF-TXEJJXNPSA-N 1 0 359.386 2.179 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3cnc4ccccc4n3)CC2)c1 ZINC000365859287 555685217 /nfs/dbraw/zinc/68/52/17/555685217.db2.gz OGYHVOROYZOUON-UHFFFAOYSA-N 1 0 368.397 2.278 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365929261 555703676 /nfs/dbraw/zinc/70/36/76/555703676.db2.gz RSPJNXRPVVAWTR-UHFFFAOYSA-N 1 0 369.491 2.030 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000366197523 555778567 /nfs/dbraw/zinc/77/85/67/555778567.db2.gz SROHAPHJRSFITM-CYBMUJFWSA-N 1 0 365.455 2.300 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000366200926 555779977 /nfs/dbraw/zinc/77/99/77/555779977.db2.gz YYXLXYGJGILHGU-MRXNPFEDSA-N 1 0 374.441 2.152 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2c2cccnn2)cc1[N+](=O)[O-] ZINC000366352358 555819747 /nfs/dbraw/zinc/81/97/47/555819747.db2.gz YTNCVMOXKBRBME-KBPBESRZSA-N 1 0 361.377 2.100 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000366429397 555841102 /nfs/dbraw/zinc/84/11/02/555841102.db2.gz NCCWPKXUQUERRY-IPCHRRRWSA-N 1 0 359.426 2.318 20 5 FEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000366709128 555914729 /nfs/dbraw/zinc/91/47/29/555914729.db2.gz IDTHCILNKHMQRM-UHFFFAOYSA-N 1 0 361.423 2.336 20 5 FEBDRO CN(C(=O)C1CCN(Cc2nccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000366760265 555926811 /nfs/dbraw/zinc/92/68/11/555926811.db2.gz WVAAIYBKBUEBDP-UHFFFAOYSA-N 1 0 357.414 2.203 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000514317447 561965562 /nfs/dbraw/zinc/96/55/62/561965562.db2.gz PTYBQEHIFAUZPK-RDJZCZTQSA-N 1 0 374.393 2.106 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000366907184 555965604 /nfs/dbraw/zinc/96/56/04/555965604.db2.gz CXMQBKVRURJJOK-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367293284 556010031 /nfs/dbraw/zinc/01/00/31/556010031.db2.gz YPRHQCRBCGMWMS-MRXNPFEDSA-N 1 0 350.438 2.334 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000367644655 556104103 /nfs/dbraw/zinc/10/41/03/556104103.db2.gz UIYCCCDDZCZQPF-JKSUJKDBSA-N 1 0 371.393 2.185 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000367648190 556104505 /nfs/dbraw/zinc/10/45/05/556104505.db2.gz GCWZIWGGKBFBSV-ZDUSSCGKSA-N 1 0 355.398 2.137 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+]([C@H]3CCSC3)CC2)s1 ZINC000367824385 556148221 /nfs/dbraw/zinc/14/82/21/556148221.db2.gz HCBSGDNOWNQYMJ-JTQLQIEISA-N 1 0 351.457 2.227 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000368472160 556319898 /nfs/dbraw/zinc/31/98/98/556319898.db2.gz ZBVVLVHSGOGMGA-VCBZYWHSSA-N 1 0 364.409 2.377 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000369156732 556520239 /nfs/dbraw/zinc/52/02/39/556520239.db2.gz PQUZUFKCPCPCRV-UHFFFAOYSA-N 1 0 366.487 2.289 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000369198649 556533391 /nfs/dbraw/zinc/53/33/91/556533391.db2.gz YCLRVGPSGFGZSU-LRDDRELGSA-N 1 0 367.833 2.479 20 5 FEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229927 556542607 /nfs/dbraw/zinc/54/26/07/556542607.db2.gz UJCRFVJGPITGHD-AEFFLSMTSA-N 1 0 360.414 2.295 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369310871 556571392 /nfs/dbraw/zinc/57/13/92/556571392.db2.gz SVDGMMDNEMHLRE-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000369495698 556611496 /nfs/dbraw/zinc/61/14/96/556611496.db2.gz DIBIMEJGKSKPGF-HNNXBMFYSA-N 1 0 366.849 2.100 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369535341 556623961 /nfs/dbraw/zinc/62/39/61/556623961.db2.gz ACTSTPZYFAFMGU-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000369998010 556753228 /nfs/dbraw/zinc/75/32/28/556753228.db2.gz QINOSOBEODCIMF-HNNXBMFYSA-N 1 0 371.441 2.223 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895121 562063174 /nfs/dbraw/zinc/06/31/74/562063174.db2.gz INGIBAVQVCZMGH-KGLIPLIRSA-N 1 0 365.430 2.415 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000370760953 556960807 /nfs/dbraw/zinc/96/08/07/556960807.db2.gz OKNXXYKMKSNDLP-LRDDRELGSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370762092 556961203 /nfs/dbraw/zinc/96/12/03/556961203.db2.gz ZESIECQUPUQCAY-KESHDOJXSA-N 1 0 359.426 2.225 20 5 FEBDRO Cc1sc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830756 556982844 /nfs/dbraw/zinc/98/28/44/556982844.db2.gz OZVCQDKXZKRGPB-AWEZNQCLSA-N 1 0 366.487 2.205 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000370864409 556995173 /nfs/dbraw/zinc/99/51/73/556995173.db2.gz AUHFYCHKYYUDDL-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992077 557039005 /nfs/dbraw/zinc/03/90/05/557039005.db2.gz MOYFJYFGDYXCQZ-ZIAGYGMSSA-N 1 0 363.414 2.290 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000517061697 562074074 /nfs/dbraw/zinc/07/40/74/562074074.db2.gz DJPYYRZQQCHGPZ-ZDUSSCGKSA-N 1 0 374.445 2.334 20 5 FEBDRO COCC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000517265171 562083427 /nfs/dbraw/zinc/08/34/27/562083427.db2.gz PUOSIEUFOIZMFK-UHFFFAOYSA-N 1 0 362.167 2.468 20 5 FEBDRO Cc1c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000517651809 562094785 /nfs/dbraw/zinc/09/47/85/562094785.db2.gz AQYSOIGZWQFDNX-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CCC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000371551374 557219528 /nfs/dbraw/zinc/21/95/28/557219528.db2.gz FKGTYRNPRQOOMB-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000371689968 557263842 /nfs/dbraw/zinc/26/38/42/557263842.db2.gz UOJSFTWNJGZLEI-CVEARBPZSA-N 1 0 360.414 2.086 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000371963729 557341062 /nfs/dbraw/zinc/34/10/62/557341062.db2.gz XBWOCNGXKKAFCY-ZDUSSCGKSA-N 1 0 353.854 2.248 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000518607514 562115149 /nfs/dbraw/zinc/11/51/49/562115149.db2.gz DDGKBDQEAQULJK-JGGQBBKZSA-N 1 0 365.405 2.479 20 5 FEBDRO COc1cccc(NC(=O)CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372284336 557429490 /nfs/dbraw/zinc/42/94/90/557429490.db2.gz YYOSHZDMFICTGB-CQSZACIVSA-N 1 0 359.386 2.076 20 5 FEBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000519136349 562125622 /nfs/dbraw/zinc/12/56/22/562125622.db2.gz BYRKZUMKVHPSKX-GFCCVEGCSA-N 1 0 372.400 2.493 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519147155 562125827 /nfs/dbraw/zinc/12/58/27/562125827.db2.gz CPEOXRGGUJSDHV-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000372444300 557472251 /nfs/dbraw/zinc/47/22/51/557472251.db2.gz DBMMIGCBUHTNRW-CNDDSTCGSA-N 1 0 368.231 2.381 20 5 FEBDRO Cc1c(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000372460457 557476713 /nfs/dbraw/zinc/47/67/13/557476713.db2.gz QHIHZKNTNUYKON-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000372671692 557533927 /nfs/dbraw/zinc/53/39/27/557533927.db2.gz AJTDRGOZXZNRIK-KRWDZBQOSA-N 1 0 370.409 2.279 20 5 FEBDRO O=C(COc1ccc2c(c1)OCC[NH2+]C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000519639510 562138192 /nfs/dbraw/zinc/13/81/92/562138192.db2.gz AERNFHHKIUQYOT-UHFFFAOYSA-N 1 0 369.377 2.045 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000373061759 557619457 /nfs/dbraw/zinc/61/94/57/557619457.db2.gz YCSOQBUQKIUFHZ-CABCVRRESA-N 1 0 357.414 2.228 20 5 FEBDRO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373220539 557652768 /nfs/dbraw/zinc/65/27/68/557652768.db2.gz NTWXOWDNKUEFOB-HNNXBMFYSA-N 1 0 371.441 2.475 20 5 FEBDRO CN(C)c1ccc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000373584283 557723207 /nfs/dbraw/zinc/72/32/07/557723207.db2.gz SRJKSGNQCDWRIH-LJQANCHMSA-N 1 0 373.457 2.098 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[NH+](CC)CC)cc([N+](=O)[O-])c1 ZINC000520620525 562160604 /nfs/dbraw/zinc/16/06/04/562160604.db2.gz CZUKJCXNQBAKJO-GFCCVEGCSA-N 1 0 351.403 2.232 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933679 557790404 /nfs/dbraw/zinc/79/04/04/557790404.db2.gz NFDXSMHTPWSFHT-CRAIPNDOSA-N 1 0 373.457 2.053 20 5 FEBDRO C[NH+]1CCC2(CCCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000374151940 557832568 /nfs/dbraw/zinc/83/25/68/557832568.db2.gz SYWOQFHGHRNROV-UHFFFAOYSA-N 1 0 362.386 2.451 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000374176243 557837698 /nfs/dbraw/zinc/83/76/98/557837698.db2.gz RFOOYSMRHPSCSZ-ZDUSSCGKSA-N 1 0 351.378 2.057 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000374180331 557838934 /nfs/dbraw/zinc/83/89/34/557838934.db2.gz ZRNPLWJSJFHDPX-VIFPVBQESA-N 1 0 367.349 2.034 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374182580 557839420 /nfs/dbraw/zinc/83/94/20/557839420.db2.gz JOMURLJUVINZIX-CYBMUJFWSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000374298302 557861011 /nfs/dbraw/zinc/86/10/11/557861011.db2.gz VKSIOOPSILGASU-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374403035 557879629 /nfs/dbraw/zinc/87/96/29/557879629.db2.gz ULDIDPNDQYEAHI-QGZVFWFLSA-N 1 0 369.425 2.385 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000374632549 557909623 /nfs/dbraw/zinc/90/96/23/557909623.db2.gz RRTJKAWKUUDGFF-IACUBPJLSA-N 1 0 363.414 2.202 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374635070 557909780 /nfs/dbraw/zinc/90/97/80/557909780.db2.gz GBUIHBGYESOIQV-CYBMUJFWSA-N 1 0 361.402 2.432 20 5 FEBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374884407 557945911 /nfs/dbraw/zinc/94/59/11/557945911.db2.gz VFOWLQBCTZBJPA-ZBFHGGJFSA-N 1 0 366.425 2.960 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000375062041 557972168 /nfs/dbraw/zinc/97/21/68/557972168.db2.gz RVZFWQPKNNNBOI-DNVCBOLYSA-N 1 0 372.469 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1C ZINC000375265824 558001514 /nfs/dbraw/zinc/00/15/14/558001514.db2.gz MEURZTXASSRYHK-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=C1CC[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C2CC2)N1 ZINC000375295546 558005769 /nfs/dbraw/zinc/00/57/69/558005769.db2.gz JASRQCKSVUZHDS-KXBFYZLASA-N 1 0 370.409 2.439 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000375610161 558056799 /nfs/dbraw/zinc/05/67/99/558056799.db2.gz FEZDQDMGMUICTF-MRXNPFEDSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623731 558058276 /nfs/dbraw/zinc/05/82/76/558058276.db2.gz LBDUIYTUVZBSJW-HOCLYGCPSA-N 1 0 367.471 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000376502673 558181936 /nfs/dbraw/zinc/18/19/36/558181936.db2.gz XWANKDOVDDPSTD-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000377085454 558262847 /nfs/dbraw/zinc/26/28/47/558262847.db2.gz ZOSJLUFPXGMKIA-CVEARBPZSA-N 1 0 355.398 2.101 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000377149215 558276521 /nfs/dbraw/zinc/27/65/21/558276521.db2.gz KMYOJVLHWIRRDU-KRWDZBQOSA-N 1 0 360.458 2.404 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000377236931 558295849 /nfs/dbraw/zinc/29/58/49/558295849.db2.gz GVNFYMCAYGQEPZ-ZSOGYDGISA-N 1 0 365.434 2.311 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000377273323 558303511 /nfs/dbraw/zinc/30/35/11/558303511.db2.gz MMBGGRZKDHOVQO-UONOGXRCSA-N 1 0 359.835 2.140 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377362422 558325117 /nfs/dbraw/zinc/32/51/17/558325117.db2.gz NEJPARJBZQZZQQ-UHFFFAOYSA-N 1 0 369.425 2.430 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000522136828 562192169 /nfs/dbraw/zinc/19/21/69/562192169.db2.gz UFVVPVAMSTUSFZ-CYBMUJFWSA-N 1 0 351.451 2.117 20 5 FEBDRO O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000377781532 558418677 /nfs/dbraw/zinc/41/86/77/558418677.db2.gz NJGZHDYZVFFVFM-UHFFFAOYSA-N 1 0 369.425 2.480 20 5 FEBDRO Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CCC2 ZINC000378249028 558511272 /nfs/dbraw/zinc/51/12/72/558511272.db2.gz WSLGGGDRKZOQKI-CYBMUJFWSA-N 1 0 357.414 2.473 20 5 FEBDRO COc1ccc([C@@H]2[C@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000378306848 558525339 /nfs/dbraw/zinc/52/53/39/558525339.db2.gz AGFQXKIVIJOOPJ-SUMWQHHRSA-N 1 0 373.413 2.139 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000378344570 558534224 /nfs/dbraw/zinc/53/42/24/558534224.db2.gz AOYVDEJKRWWDAA-CQSZACIVSA-N 1 0 361.446 2.227 20 5 FEBDRO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000397514640 558624372 /nfs/dbraw/zinc/62/43/72/558624372.db2.gz RHVMVBNQGHMFMR-UHFFFAOYSA-N 1 0 369.421 2.352 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000404983450 558631754 /nfs/dbraw/zinc/63/17/54/558631754.db2.gz HERINIHZQLWMCK-JTQLQIEISA-N 1 0 366.219 2.464 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000404607633 558632111 /nfs/dbraw/zinc/63/21/11/558632111.db2.gz MUIQAFJNDFVORI-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067364 562223666 /nfs/dbraw/zinc/22/36/66/562223666.db2.gz MQWIYUXZSSLWKQ-SJCJKPOMSA-N 1 0 362.382 2.350 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000525291462 562245210 /nfs/dbraw/zinc/24/52/10/562245210.db2.gz HXOPUIKUYZGTNP-HNNXBMFYSA-N 1 0 360.458 2.269 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000411267449 558864600 /nfs/dbraw/zinc/86/46/00/558864600.db2.gz DFQRCKSRKJEZAW-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO COc1ccc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000525686539 562252108 /nfs/dbraw/zinc/25/21/08/562252108.db2.gz RQRPRQINTCDBNI-QGZVFWFLSA-N 1 0 362.474 2.204 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000411626474 558931546 /nfs/dbraw/zinc/93/15/46/558931546.db2.gz WTMYHNAUXKJHMH-WOSRLPQWSA-N 1 0 365.430 2.413 20 5 FEBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000411935548 558991215 /nfs/dbraw/zinc/99/12/15/558991215.db2.gz DPQWXRRWDGPUGE-CQSZACIVSA-N 1 0 358.398 2.202 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000412389641 559032820 /nfs/dbraw/zinc/03/28/20/559032820.db2.gz GLGMUMXNUGRMQD-LBPRGKRZSA-N 1 0 353.394 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000412407677 559033515 /nfs/dbraw/zinc/03/35/15/559033515.db2.gz FKNYTQDBCPEJBU-GFCCVEGCSA-N 1 0 353.394 2.226 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1F ZINC000413168190 559085022 /nfs/dbraw/zinc/08/50/22/559085022.db2.gz MKRSYNWIPPDPNT-JSGCOSHPSA-N 1 0 351.378 2.028 20 5 FEBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000413199939 559087884 /nfs/dbraw/zinc/08/78/84/559087884.db2.gz DPRQLMZERVUFKF-GHMZBOCLSA-N 1 0 350.366 2.490 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161383 559151311 /nfs/dbraw/zinc/15/13/11/559151311.db2.gz BTRQLXNDAQTSJA-OHUAYANFSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000414195536 559152513 /nfs/dbraw/zinc/15/25/13/559152513.db2.gz WTTOMIUEYKLDCA-OHUAYANFSA-N 1 0 351.403 2.334 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC ZINC000414760767 559185800 /nfs/dbraw/zinc/18/58/00/559185800.db2.gz RIACWBOYRWPKEY-LLVKDONJSA-N 1 0 352.391 2.266 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000415011578 559200594 /nfs/dbraw/zinc/20/05/94/559200594.db2.gz QTCGCBDYGMZSDD-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595585 559253956 /nfs/dbraw/zinc/25/39/56/559253956.db2.gz HJYNQTPYUOUWPF-GWCFXTLKSA-N 1 0 364.402 2.281 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)c([N+](=O)[O-])c1 ZINC000415599113 559254039 /nfs/dbraw/zinc/25/40/39/559254039.db2.gz MAXXBPGZIFOOJN-NSHDSACASA-N 1 0 364.402 2.281 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415632942 559256818 /nfs/dbraw/zinc/25/68/18/559256818.db2.gz PNXMILSMQJZHHU-HOTGVXAUSA-N 1 0 366.393 2.484 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415709696 559264280 /nfs/dbraw/zinc/26/42/80/559264280.db2.gz JUWUHCULYIYXPZ-UHFFFAOYSA-N 1 0 362.430 2.209 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415828437 559275999 /nfs/dbraw/zinc/27/59/99/559275999.db2.gz HVQMYVGCXRDMQO-MRXNPFEDSA-N 1 0 370.409 2.438 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415842490 559277537 /nfs/dbraw/zinc/27/75/37/559277537.db2.gz WUKGCLFULXQBHD-RYUDHWBXSA-N 1 0 362.430 2.074 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416369593 559307932 /nfs/dbraw/zinc/30/79/32/559307932.db2.gz GMINQGVFDQKMOB-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421561 559311881 /nfs/dbraw/zinc/31/18/81/559311881.db2.gz DHNVQINQFXDBJM-STQMWFEESA-N 1 0 353.444 2.115 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000416559859 559321743 /nfs/dbraw/zinc/32/17/43/559321743.db2.gz KTSUWKFPWADAFW-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000417201935 559352665 /nfs/dbraw/zinc/35/26/65/559352665.db2.gz WWLNBJKALJVANN-HNNXBMFYSA-N 1 0 350.419 2.181 20 5 FEBDRO CS(=O)(=O)N1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417320122 559357443 /nfs/dbraw/zinc/35/74/43/559357443.db2.gz IVUXOYSYVAHUEB-KRWDZBQOSA-N 1 0 367.471 2.376 20 5 FEBDRO CNC(=O)CN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417333755 559358066 /nfs/dbraw/zinc/35/80/66/559358066.db2.gz YZXRVCYWDMSTMZ-SFHVURJKSA-N 1 0 360.458 2.162 20 5 FEBDRO NC(=O)c1cn(CCCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000417366163 559359453 /nfs/dbraw/zinc/35/94/53/559359453.db2.gz NAAVXEKOMBKRPN-INIZCTEOSA-N 1 0 372.429 2.123 20 5 FEBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1(O)CCOCC1 ZINC000417382389 559360196 /nfs/dbraw/zinc/36/01/96/559360196.db2.gz NTKJBGXFJUBZTK-CABCVRRESA-N 1 0 366.462 2.432 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417930595 559382285 /nfs/dbraw/zinc/38/22/85/559382285.db2.gz BBNZQHMGEKPLBB-SFHVURJKSA-N 1 0 354.410 2.324 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417930592 559382323 /nfs/dbraw/zinc/38/23/23/559382323.db2.gz BBNZQHMGEKPLBB-GOSISDBHSA-N 1 0 354.410 2.324 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418786202 559416111 /nfs/dbraw/zinc/41/61/11/559416111.db2.gz IQUBGRKWLVGYOG-KBPBESRZSA-N 1 0 362.430 2.275 20 5 FEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000420303664 559479392 /nfs/dbraw/zinc/47/93/92/559479392.db2.gz IBBIHUPBJZTHTN-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420373289 559483627 /nfs/dbraw/zinc/48/36/27/559483627.db2.gz FYZBYQBHVPOBIB-QGZVFWFLSA-N 1 0 374.445 2.269 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH2+]C2CC2)c(C(F)(F)F)c1 ZINC000420450199 559487913 /nfs/dbraw/zinc/48/79/13/559487913.db2.gz OUWDNBQRHQBPDE-UHFFFAOYSA-N 1 0 367.349 2.034 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000420462010 559488826 /nfs/dbraw/zinc/48/88/26/559488826.db2.gz MITFVWZKKNLIAZ-OAHLLOKOSA-N 1 0 363.439 2.444 20 5 FEBDRO COC1([C@@H](C)[NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCOCC1 ZINC000421026065 559520453 /nfs/dbraw/zinc/52/04/53/559520453.db2.gz DZUXXJGXMAYJKA-GFCCVEGCSA-N 1 0 362.386 2.319 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000421686170 559549461 /nfs/dbraw/zinc/54/94/61/559549461.db2.gz ZOPPDNCOQGYPTP-UHFFFAOYSA-N 1 0 363.414 2.374 20 5 FEBDRO CC(C)(CC[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000422554881 559594758 /nfs/dbraw/zinc/59/47/58/559594758.db2.gz NPWRZDBDQXTSAP-UHFFFAOYSA-N 1 0 355.338 2.019 20 5 FEBDRO C[C@@H]1C[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000422642541 559599724 /nfs/dbraw/zinc/59/97/24/559599724.db2.gz ZNYUVUZARBPDPG-HZSPNIEDSA-N 1 0 362.430 2.198 20 5 FEBDRO Cn1ccnc1[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489415 559630114 /nfs/dbraw/zinc/63/01/14/559630114.db2.gz WLQJUHZBYJXOGE-ZIAGYGMSSA-N 1 0 351.357 2.005 20 5 FEBDRO [NH3+][C@H](CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000423487754 559630168 /nfs/dbraw/zinc/63/01/68/559630168.db2.gz XSSCDBVAEWJXOP-OAHLLOKOSA-N 1 0 357.360 2.427 20 5 FEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc([N+](=O)[O-])c1C ZINC000423509890 559630636 /nfs/dbraw/zinc/63/06/36/559630636.db2.gz OVEVIDLXBYCHRO-CYBMUJFWSA-N 1 0 356.382 2.375 20 5 FEBDRO Nc1c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc(F)cc1[N+](=O)[O-] ZINC000423942691 559647275 /nfs/dbraw/zinc/64/72/75/559647275.db2.gz FJUNQVOPZSHQDS-UHFFFAOYSA-N 1 0 365.390 2.492 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000423958113 559647950 /nfs/dbraw/zinc/64/79/50/559647950.db2.gz VYJZTHSLOZXKQI-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000423994454 559649684 /nfs/dbraw/zinc/64/96/84/559649684.db2.gz SREWKWXERFTTHW-HNNXBMFYSA-N 1 0 356.382 2.057 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1SC ZINC000424009151 559650713 /nfs/dbraw/zinc/65/07/13/559650713.db2.gz HRKYUUYYFNKICT-QWRGUYRKSA-N 1 0 353.444 2.382 20 5 FEBDRO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000424014563 559651001 /nfs/dbraw/zinc/65/10/01/559651001.db2.gz LSUGSMBMAAQGRE-VHSXEESVSA-N 1 0 356.220 2.414 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000424061566 559653139 /nfs/dbraw/zinc/65/31/39/559653139.db2.gz XOIUDAHOMZVWSJ-LLVKDONJSA-N 1 0 353.806 2.370 20 5 FEBDRO Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC(=O)N1C ZINC000424183235 559656861 /nfs/dbraw/zinc/65/68/61/559656861.db2.gz AYZKYNFVKSSAHI-BEFAXECRSA-N 1 0 371.441 2.254 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425473757 559704210 /nfs/dbraw/zinc/70/42/10/559704210.db2.gz ISSQZUMBCAYZNC-QGZVFWFLSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428307624 559773279 /nfs/dbraw/zinc/77/32/79/559773279.db2.gz VSMKDMCOBPZIER-AWEZNQCLSA-N 1 0 360.418 2.185 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428560714 559778391 /nfs/dbraw/zinc/77/83/91/559778391.db2.gz CKLHJZCYGHIDKJ-AWEZNQCLSA-N 1 0 372.377 2.109 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000428967305 559786877 /nfs/dbraw/zinc/78/68/77/559786877.db2.gz MMZVFZGRSMLZQN-LBPRGKRZSA-N 1 0 352.435 2.379 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000433861656 559889048 /nfs/dbraw/zinc/88/90/48/559889048.db2.gz DLQLLZNYZQGNHG-CQSZACIVSA-N 1 0 359.430 2.344 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433940169 559890816 /nfs/dbraw/zinc/89/08/16/559890816.db2.gz JEUOXSJJSXUODV-KRWDZBQOSA-N 1 0 361.446 2.323 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000434028532 559892752 /nfs/dbraw/zinc/89/27/52/559892752.db2.gz UWNFMJGPGHIECD-ZDUSSCGKSA-N 1 0 367.450 2.014 20 5 FEBDRO Cc1cccc(NC[C@@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C2)[nH+]1 ZINC000439172152 559989598 /nfs/dbraw/zinc/98/95/98/559989598.db2.gz RCQUMUUXXRNYRA-ZDUSSCGKSA-N 1 0 355.398 2.336 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000440074572 560004176 /nfs/dbraw/zinc/00/41/76/560004176.db2.gz HBPITQOFEWPZIA-QGZVFWFLSA-N 1 0 371.503 2.423 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000440420634 560010727 /nfs/dbraw/zinc/01/07/27/560010727.db2.gz NAMYVGFFAHCSMA-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000441195949 560026156 /nfs/dbraw/zinc/02/61/56/560026156.db2.gz IPZRJEDHJZQMTF-ZFWWWQNUSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)CC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000441212991 560026512 /nfs/dbraw/zinc/02/65/12/560026512.db2.gz UUANPSKBNQYJKC-UHFFFAOYSA-N 1 0 352.387 2.257 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229174 560026684 /nfs/dbraw/zinc/02/66/84/560026684.db2.gz OIVIPDFREYOVGM-HZPDHXFCSA-N 1 0 359.426 2.232 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1C[C@]12CC[NH2+]C2 ZINC000444159900 560103532 /nfs/dbraw/zinc/10/35/32/560103532.db2.gz VCKSFHHKQNPWRL-ABAIWWIYSA-N 1 0 372.347 2.141 20 5 FEBDRO CCC1(O)CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000444171349 560103989 /nfs/dbraw/zinc/10/39/89/560103989.db2.gz XKSFXRJQVAMAIN-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000444924694 560124817 /nfs/dbraw/zinc/12/48/17/560124817.db2.gz UDIFFBYNSIHCDW-AWEZNQCLSA-N 1 0 366.418 2.178 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CCS(=O)(=O)CC2)n1 ZINC000447574808 560164738 /nfs/dbraw/zinc/16/47/38/560164738.db2.gz ORHZELDVMASQBE-HUUCEWRRSA-N 1 0 370.475 2.080 20 5 FEBDRO CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447589599 560164932 /nfs/dbraw/zinc/16/49/32/560164932.db2.gz YMENMVBREDUYDI-CABCVRRESA-N 1 0 362.434 2.369 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447939364 560173937 /nfs/dbraw/zinc/17/39/37/560173937.db2.gz KBDJTVGWWNDTBH-HNNXBMFYSA-N 1 0 371.459 2.002 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725663 560196783 /nfs/dbraw/zinc/19/67/83/560196783.db2.gz PORBUDDADREOKL-UKRRQHHQSA-N 1 0 355.398 2.342 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448925307 560207024 /nfs/dbraw/zinc/20/70/24/560207024.db2.gz NKSVHOZBHIYGCG-LLVKDONJSA-N 1 0 351.378 2.489 20 5 FEBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000449069713 560214922 /nfs/dbraw/zinc/21/49/22/560214922.db2.gz YPGRZKPCDRMPIX-GOSISDBHSA-N 1 0 354.410 2.252 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000449452255 560230782 /nfs/dbraw/zinc/23/07/82/560230782.db2.gz KJVPRGPYKHTWMN-QGZVFWFLSA-N 1 0 374.393 2.312 20 5 FEBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492291 560231975 /nfs/dbraw/zinc/23/19/75/560231975.db2.gz BRCFATAJAAWSPI-CZUORRHYSA-N 1 0 366.414 2.394 20 5 FEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000449726004 560238239 /nfs/dbraw/zinc/23/82/39/560238239.db2.gz PCEKASJCEPMZDN-GXSJLCMTSA-N 1 0 356.220 2.143 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450318320 560258421 /nfs/dbraw/zinc/25/84/21/560258421.db2.gz VULHQFWCNAVZNV-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000450747912 560272004 /nfs/dbraw/zinc/27/20/04/560272004.db2.gz RDDYIBLRFRPMGN-KRWDZBQOSA-N 1 0 360.458 2.365 20 5 FEBDRO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451093178 560286575 /nfs/dbraw/zinc/28/65/75/560286575.db2.gz NFQXIBXNBKUBRZ-RDTXWAMCSA-N 1 0 358.442 2.116 20 5 FEBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142690 560289429 /nfs/dbraw/zinc/28/94/29/560289429.db2.gz GMYBTTQMZZLXLE-SBFPOUOMSA-N 1 0 350.341 2.204 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)n2)cc1 ZINC000451302253 560299055 /nfs/dbraw/zinc/29/90/55/560299055.db2.gz KDCQGLVUXZLNTC-IMJJTQAJSA-N 1 0 374.397 2.007 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418400 560305675 /nfs/dbraw/zinc/30/56/75/560305675.db2.gz MREYVOWRINWJGW-FVQBIDKESA-N 1 0 363.414 2.167 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451464707 560308434 /nfs/dbraw/zinc/30/84/34/560308434.db2.gz FUWUBAVMSWFAMN-VUCTXSBTSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000451476450 560309303 /nfs/dbraw/zinc/30/93/03/560309303.db2.gz FUZWIVVTFHXFSG-VUCTXSBTSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000451486737 560309944 /nfs/dbraw/zinc/30/99/44/560309944.db2.gz DSVISAKPLHDAQE-HUUCEWRRSA-N 1 0 351.403 2.335 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571840 560315373 /nfs/dbraw/zinc/31/53/73/560315373.db2.gz QFSXCHYUAOTZNV-MLGOLLRUSA-N 1 0 351.403 2.289 20 5 FEBDRO O=C1[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606514 560317163 /nfs/dbraw/zinc/31/71/63/560317163.db2.gz LSCFIZFZICQXPT-KURKYZTESA-N 1 0 359.426 2.087 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000452095057 560350896 /nfs/dbraw/zinc/35/08/96/560350896.db2.gz KMUHZOPIXNMNDR-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452356744 560360070 /nfs/dbraw/zinc/36/00/70/560360070.db2.gz DERAJSOHLYRKNF-CQSZACIVSA-N 1 0 367.471 2.283 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296488 560385480 /nfs/dbraw/zinc/38/54/80/560385480.db2.gz YYONZFJFVJVLOJ-XHDPSFHLSA-N 1 0 355.460 2.235 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454528524 560448399 /nfs/dbraw/zinc/44/83/99/560448399.db2.gz OZCIBMTWPBMYLK-BBRMVZONSA-N 1 0 350.419 2.066 20 5 FEBDRO CCn1ccnc1[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000455472615 560483632 /nfs/dbraw/zinc/48/36/32/560483632.db2.gz MGNNTLFFILIZKD-LBPRGKRZSA-N 1 0 359.386 2.476 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455672506 560491215 /nfs/dbraw/zinc/49/12/15/560491215.db2.gz NFIASLZTGIJIMS-HNNXBMFYSA-N 1 0 369.425 2.426 20 5 FEBDRO COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@@H]2[NH3+])cc1F ZINC000457373313 560564214 /nfs/dbraw/zinc/56/42/14/560564214.db2.gz JYFUKSCZTONGHP-OCCSQVGLSA-N 1 0 362.361 2.028 20 5 FEBDRO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517296 560629277 /nfs/dbraw/zinc/62/92/77/560629277.db2.gz SHKGYZUZNUCLIV-DLBZAZTESA-N 1 0 364.446 2.192 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459759013 560706752 /nfs/dbraw/zinc/70/67/52/560706752.db2.gz LQZTVLDDISSALK-KNXALSJPSA-N 1 0 363.414 2.478 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461115514 560762020 /nfs/dbraw/zinc/76/20/20/560762020.db2.gz WCQHUTUYPRQFAA-GUYCJALGSA-N 1 0 365.430 2.079 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461115513 560762077 /nfs/dbraw/zinc/76/20/77/560762077.db2.gz WCQHUTUYPRQFAA-DYVFJYSZSA-N 1 0 365.430 2.079 20 5 FEBDRO Cc1n[nH]c(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457473 560772174 /nfs/dbraw/zinc/77/21/74/560772174.db2.gz TZHHNAZGOFPYST-HZPDHXFCSA-N 1 0 369.425 2.220 20 5 FEBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000461903964 560787294 /nfs/dbraw/zinc/78/72/94/560787294.db2.gz WONKRGFIMKKMDK-NSHDSACASA-N 1 0 368.242 2.259 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000467043895 560902153 /nfs/dbraw/zinc/90/21/53/560902153.db2.gz HHHNPCGTKYESHG-ZDUSSCGKSA-N 1 0 373.500 2.317 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000470063884 560973204 /nfs/dbraw/zinc/97/32/04/560973204.db2.gz AQEBAJFWKMJMNL-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)NCCCO)CC1 ZINC000470173357 560975997 /nfs/dbraw/zinc/97/59/97/560975997.db2.gz BJDVEOKPKJLAFR-NTCAYCPXSA-N 1 0 361.442 2.209 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000470673093 560987070 /nfs/dbraw/zinc/98/70/70/560987070.db2.gz FGAVOXJQULAHNT-OAHLLOKOSA-N 1 0 357.414 2.383 20 5 FEBDRO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ncc[nH]1 ZINC000471073304 560997594 /nfs/dbraw/zinc/99/75/94/560997594.db2.gz VZYHSJZWLZEEPJ-INIZCTEOSA-N 1 0 372.429 2.025 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000473296033 561046920 /nfs/dbraw/zinc/04/69/20/561046920.db2.gz BEEUNJGLEICUNI-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000473948121 561061668 /nfs/dbraw/zinc/06/16/68/561061668.db2.gz GRQFDBIMOFGVGF-UHFFFAOYSA-N 1 0 357.476 2.478 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473999464 561063185 /nfs/dbraw/zinc/06/31/85/561063185.db2.gz FIYMKYHPPHACTG-UONOGXRCSA-N 1 0 366.414 2.441 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000474006548 561063545 /nfs/dbraw/zinc/06/35/45/561063545.db2.gz FNLNAONPDKIMBB-PBHICJAKSA-N 1 0 366.414 2.440 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370622 561072435 /nfs/dbraw/zinc/07/24/35/561072435.db2.gz LAAANFOSCCYNAR-GJZGRUSLSA-N 1 0 352.387 2.050 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475713848 561102943 /nfs/dbraw/zinc/10/29/43/561102943.db2.gz FSEJUDVGHHDGIH-UONOGXRCSA-N 1 0 365.430 2.061 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000476600882 561123926 /nfs/dbraw/zinc/12/39/26/561123926.db2.gz OVEQNYGZVSRYJG-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000530386901 562409350 /nfs/dbraw/zinc/40/93/50/562409350.db2.gz OCGLZOATSOEDNB-VXGBXAGGSA-N 1 0 352.387 2.192 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000531768993 562456005 /nfs/dbraw/zinc/45/60/05/562456005.db2.gz COXQJSAGBADKAY-ZIAGYGMSSA-N 1 0 361.398 2.346 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000533447333 562509103 /nfs/dbraw/zinc/50/91/03/562509103.db2.gz JSCSWVLUYUHFAY-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@@H]1CC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000533497198 562510975 /nfs/dbraw/zinc/51/09/75/562510975.db2.gz YNIGZNDFHJMHNL-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCN(C)CC1 ZINC000534251858 562528640 /nfs/dbraw/zinc/52/86/40/562528640.db2.gz VFUIPGXBXGHXPJ-QGZVFWFLSA-N 1 0 373.457 2.078 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534980995 562546741 /nfs/dbraw/zinc/54/67/41/562546741.db2.gz RUPANZDHGIQEIM-CYBMUJFWSA-N 1 0 360.414 2.163 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000535740745 562566154 /nfs/dbraw/zinc/56/61/54/562566154.db2.gz YBCKUMPMRBMVON-ZIAGYGMSSA-N 1 0 350.419 2.098 20 5 FEBDRO CC(=O)NC1CCC([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000541317055 562608972 /nfs/dbraw/zinc/60/89/72/562608972.db2.gz WBROJULKDLCXKS-UHFFFAOYSA-N 1 0 362.430 2.221 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(CCO)CCCCC2)cc1 ZINC000542209235 562627106 /nfs/dbraw/zinc/62/71/06/562627106.db2.gz HBQZPDQQCBKMSY-UHFFFAOYSA-N 1 0 356.444 2.043 20 5 FEBDRO Cc1nnc([C@H](C)[NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)s1 ZINC000546102000 562633696 /nfs/dbraw/zinc/63/36/96/562633696.db2.gz KMWNCMMEJVMDML-VIFPVBQESA-N 1 0 363.399 2.404 20 5 FEBDRO [NH3+][C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000602603590 567996935 /nfs/dbraw/zinc/99/69/35/567996935.db2.gz DZYQBRRLKRFNEB-XYPYZODXSA-N 1 0 356.220 2.286 20 5 FEBDRO Cc1ccccc1C[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602626053 568006902 /nfs/dbraw/zinc/00/69/02/568006902.db2.gz IBIAMNMHKMBCBW-GOSISDBHSA-N 1 0 370.453 2.460 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000568823097 568229823 /nfs/dbraw/zinc/22/98/23/568229823.db2.gz CKUPEBQKLMYDRH-GFCCVEGCSA-N 1 0 364.402 2.153 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000569046712 568280529 /nfs/dbraw/zinc/28/05/29/568280529.db2.gz DJNURYKWOCWTMT-ZDUSSCGKSA-N 1 0 353.325 2.457 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000569614885 568410185 /nfs/dbraw/zinc/41/01/85/568410185.db2.gz UDZVSJYTEFTQJW-AWEZNQCLSA-N 1 0 351.403 2.150 20 5 FEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570928518 568710855 /nfs/dbraw/zinc/71/08/55/568710855.db2.gz LOSPLLNKXAEOOU-INIZCTEOSA-N 1 0 360.458 2.412 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000556441077 674402415 /nfs/dbraw/zinc/40/24/15/674402415.db2.gz HFBRUJAAUPAMME-UHFFFAOYSA-N 1 0 352.822 2.280 20 5 FEBDRO C[NH+](C)C1CC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000808023322 674438235 /nfs/dbraw/zinc/43/82/35/674438235.db2.gz GQXCSWZMTFBWIC-UHFFFAOYSA-N 1 0 360.183 2.319 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000557347184 674446164 /nfs/dbraw/zinc/44/61/64/674446164.db2.gz FTGPHHIRUXSHDE-HOTGVXAUSA-N 1 0 367.471 2.452 20 5 FEBDRO COC(=O)c1cc(C)nc(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000557631049 674458616 /nfs/dbraw/zinc/45/86/16/674458616.db2.gz BTMIZBQHEBAPPV-ZDUSSCGKSA-N 1 0 350.419 2.761 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126976 599496778 /nfs/dbraw/zinc/49/67/78/599496778.db2.gz GJLPUCNECZDIJU-LLVKDONJSA-N 1 0 368.401 2.218 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738357986 599534461 /nfs/dbraw/zinc/53/44/61/599534461.db2.gz JLKIZMZGGHIFSJ-AWEZNQCLSA-N 1 0 357.418 2.230 20 5 FEBDRO C[NH+](C)C1(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCCCCC1 ZINC000558893376 674519580 /nfs/dbraw/zinc/51/95/80/674519580.db2.gz PBQDQGDLCVMPQW-UHFFFAOYSA-N 1 0 351.451 2.297 20 5 FEBDRO C[C@@H]1CCC[C@@](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000820699015 606700883 /nfs/dbraw/zinc/70/08/83/606700883.db2.gz XUBWLUCDSWOQND-BDJLRTHQSA-N 1 0 360.422 2.092 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000821586151 607114060 /nfs/dbraw/zinc/11/40/60/607114060.db2.gz LVGIBUJWLDJMFO-UHFFFAOYSA-N 1 0 367.413 2.343 20 5 FEBDRO CN(CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])S(C)(=O)=O ZINC000811473811 674607009 /nfs/dbraw/zinc/60/70/09/674607009.db2.gz MQZCAGBWLWSMNT-UHFFFAOYSA-N 1 0 370.258 2.273 20 5 FEBDRO CSC1(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[NH+](C)CC1 ZINC000811854485 674633858 /nfs/dbraw/zinc/63/38/58/674633858.db2.gz ZZAQGWOMIKZJBL-UHFFFAOYSA-N 1 0 366.443 2.165 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)C(C)C ZINC000811859091 674633980 /nfs/dbraw/zinc/63/39/80/674633980.db2.gz MMKYBZJJXOHIJB-SNVBAGLBSA-N 1 0 354.363 2.430 20 5 FEBDRO C[NH+](C)CCOC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561185609 674644731 /nfs/dbraw/zinc/64/47/31/674644731.db2.gz IZUGXMFKKKYJRG-UHFFFAOYSA-N 1 0 351.432 2.147 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000812393547 674672338 /nfs/dbraw/zinc/67/23/38/674672338.db2.gz FDYUTSFTVKHWQS-JTQLQIEISA-N 1 0 351.432 2.450 20 5 FEBDRO CC[C@H](C)[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000561947913 674709762 /nfs/dbraw/zinc/70/97/62/674709762.db2.gz JFMKBUWHRRLEHQ-JTQLQIEISA-N 1 0 374.235 2.389 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCSc2ccc(F)cc2)c1 ZINC000564845393 675067378 /nfs/dbraw/zinc/06/73/78/675067378.db2.gz XGCTWOWXBPYWDO-CQSZACIVSA-N 1 0 354.407 2.063 20 5 FEBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000564860687 675069449 /nfs/dbraw/zinc/06/94/49/675069449.db2.gz TZCFWWRRMQXSJC-KYJSFNMBSA-N 1 0 352.431 2.375 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000564967194 675083060 /nfs/dbraw/zinc/08/30/60/675083060.db2.gz SWBQIDAJPRTYHZ-VXGBXAGGSA-N 1 0 373.862 2.258 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000570625288 670741617 /nfs/dbraw/zinc/74/16/17/670741617.db2.gz MISSSKRDVAXYGC-AAEUAGOBSA-N 1 0 351.403 2.344 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000092993558 670746999 /nfs/dbraw/zinc/74/69/99/670746999.db2.gz YMYZQIAZQFOJAM-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000571083273 670813938 /nfs/dbraw/zinc/81/39/38/670813938.db2.gz KZBNLXIBRDTTPH-INIZCTEOSA-N 1 0 361.423 2.150 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108403787 670829347 /nfs/dbraw/zinc/82/93/47/670829347.db2.gz NHLJTAMMQYLNPQ-LBPRGKRZSA-N 1 0 359.835 2.011 20 5 FEBDRO CC[C@@H]1CCCCN1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571909882 670939556 /nfs/dbraw/zinc/93/95/56/670939556.db2.gz GRGZVNKCFGMHPZ-OAHLLOKOSA-N 1 0 369.487 2.223 20 5 FEBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@@H+]1C ZINC000572014624 670951692 /nfs/dbraw/zinc/95/16/92/670951692.db2.gz CVXYXIRIYZXYJY-STQMWFEESA-N 1 0 352.410 2.465 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000572179209 670970265 /nfs/dbraw/zinc/97/02/65/670970265.db2.gz MDLUUGLCLQSTCE-UHFFFAOYSA-N 1 0 353.444 2.049 20 5 FEBDRO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000573000712 671069841 /nfs/dbraw/zinc/06/98/41/671069841.db2.gz OZUUGJDLNKWEJF-JQWIXIFHSA-N 1 0 357.357 2.246 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000573089951 671081224 /nfs/dbraw/zinc/08/12/24/671081224.db2.gz MCHFIQUVVZZTHO-CYBMUJFWSA-N 1 0 367.471 2.310 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000573356324 671112968 /nfs/dbraw/zinc/11/29/68/671112968.db2.gz PJWGHEVTJIEHKD-OAHLLOKOSA-N 1 0 351.451 2.201 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000573640634 671146454 /nfs/dbraw/zinc/14/64/54/671146454.db2.gz GARFZWSEYAOOSQ-MAUKXSAKSA-N 1 0 350.415 2.227 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000573640636 671146658 /nfs/dbraw/zinc/14/66/58/671146658.db2.gz GARFZWSEYAOOSQ-YJBOKZPZSA-N 1 0 350.415 2.227 20 5 FEBDRO CCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000574219025 671215882 /nfs/dbraw/zinc/21/58/82/671215882.db2.gz HMBSWVSBIDPOOL-CYBMUJFWSA-N 1 0 351.403 2.216 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000818003003 675189856 /nfs/dbraw/zinc/18/98/56/675189856.db2.gz LWAJPFSFLDZDPR-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])cc1F ZINC000575775171 671319852 /nfs/dbraw/zinc/31/98/52/671319852.db2.gz CBCZQOCEGDGCAY-DLBZAZTESA-N 1 0 354.378 2.152 20 5 FEBDRO COc1cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c([N+](=O)[O-])cc1F ZINC000575775172 671319984 /nfs/dbraw/zinc/31/99/84/671319984.db2.gz CBCZQOCEGDGCAY-IAGOWNOFSA-N 1 0 354.378 2.152 20 5 FEBDRO Nc1nc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000609074379 675910122 /nfs/dbraw/zinc/91/01/22/675910122.db2.gz IAZVCVOFILZOMR-ZDUSSCGKSA-N 1 0 362.821 2.291 20 5 FEBDRO Cc1nn(CCC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000609346349 675919477 /nfs/dbraw/zinc/91/94/77/675919477.db2.gz CTWFMSIWZXOBMG-CHWSQXEVSA-N 1 0 351.451 2.177 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000577706047 671614577 /nfs/dbraw/zinc/61/45/77/671614577.db2.gz BUEIWWBVDVFJLB-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CCCN(C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000578231469 671650526 /nfs/dbraw/zinc/65/05/26/671650526.db2.gz AAQZFEOLIQCOJG-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848338 675939115 /nfs/dbraw/zinc/93/91/15/675939115.db2.gz BOWRMHJMBPWCSI-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581164474 671869018 /nfs/dbraw/zinc/86/90/18/671869018.db2.gz NVLMYKRGGDFREH-ZDUSSCGKSA-N 1 0 350.419 2.229 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119635377 671903871 /nfs/dbraw/zinc/90/38/71/671903871.db2.gz XKDDHIFIPSRZAP-UHFFFAOYSA-N 1 0 361.489 2.397 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119626420 671904142 /nfs/dbraw/zinc/90/41/42/671904142.db2.gz GNMUDRNKRWCKSQ-CYBMUJFWSA-N 1 0 369.468 2.108 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000123050119 671974286 /nfs/dbraw/zinc/97/42/86/671974286.db2.gz GJXSMQGPAAJBQG-ZYHUDNBSSA-N 1 0 361.851 2.447 20 5 FEBDRO C[NH+](C)C[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000583208728 672074106 /nfs/dbraw/zinc/07/41/06/672074106.db2.gz NJZXXIOXJNWTBI-NSHDSACASA-N 1 0 351.794 2.047 20 5 FEBDRO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132278211 672096176 /nfs/dbraw/zinc/09/61/76/672096176.db2.gz BRCPYQNKLCTEOT-UHFFFAOYSA-N 1 0 352.391 2.437 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000583481763 672098838 /nfs/dbraw/zinc/09/88/38/672098838.db2.gz DSPCBWMEDJCEJH-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000583747735 672122834 /nfs/dbraw/zinc/12/28/34/672122834.db2.gz CBYXABCBYSFWPG-OKXCZOLLSA-N 1 0 370.471 2.004 20 5 FEBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000584587678 672202494 /nfs/dbraw/zinc/20/24/94/672202494.db2.gz VPYHKTYFDUBRGH-GXSJLCMTSA-N 1 0 360.336 2.140 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000589930765 672548824 /nfs/dbraw/zinc/54/88/24/672548824.db2.gz ICNCPVGPKKAYBL-CYBMUJFWSA-N 1 0 367.471 2.398 20 5 FEBDRO COc1cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012809 672554692 /nfs/dbraw/zinc/55/46/92/672554692.db2.gz YURUNEINACZSCT-ZWNOBZJWSA-N 1 0 357.357 2.341 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000590165285 672562520 /nfs/dbraw/zinc/56/25/20/672562520.db2.gz DDWQETNMRCJTFH-QGZVFWFLSA-N 1 0 367.471 2.264 20 5 FEBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590369347 672575266 /nfs/dbraw/zinc/57/52/66/672575266.db2.gz CSKXOLDPIUOBRL-GFCCVEGCSA-N 1 0 367.471 2.282 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1SC ZINC000590567129 672590095 /nfs/dbraw/zinc/59/00/95/672590095.db2.gz XQCGAROWQZYPHF-JQWIXIFHSA-N 1 0 353.444 2.490 20 5 FEBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000591668748 672699619 /nfs/dbraw/zinc/69/96/19/672699619.db2.gz YSSFKFKULXDDDF-GFCCVEGCSA-N 1 0 356.373 2.066 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000591683423 672701666 /nfs/dbraw/zinc/70/16/66/672701666.db2.gz UZOKPYSFFZRYPI-XMZIXOGTSA-N 1 0 351.403 2.118 20 5 FEBDRO C[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000591729666 672705718 /nfs/dbraw/zinc/70/57/18/672705718.db2.gz PYMWQWASJWUIOR-NVXWUHKLSA-N 1 0 351.447 2.045 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000193959734 672742670 /nfs/dbraw/zinc/74/26/70/672742670.db2.gz BENHFBFGTWMDBX-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182504 672768119 /nfs/dbraw/zinc/76/81/19/672768119.db2.gz BQRHDPVYGGMUNW-CABCVRRESA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3cccc(Cl)c3)CCC2)c1 ZINC000592183472 672768623 /nfs/dbraw/zinc/76/86/23/672768623.db2.gz JEVDLIPDLBARLP-OAHLLOKOSA-N 1 0 350.806 2.475 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356613 672791369 /nfs/dbraw/zinc/79/13/69/672791369.db2.gz ANFSNRSZWGVOGR-ZJUUUORDSA-N 1 0 363.399 2.441 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000592372057 672793383 /nfs/dbraw/zinc/79/33/83/672793383.db2.gz AEUZOKONMPEIJH-LLVKDONJSA-N 1 0 365.411 2.102 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000592389119 672796287 /nfs/dbraw/zinc/79/62/87/672796287.db2.gz CMKDCRGIHIXHEG-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCO2 ZINC000592898639 672852549 /nfs/dbraw/zinc/85/25/49/672852549.db2.gz KZGUWUBYZSRGHX-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733737 672984883 /nfs/dbraw/zinc/98/48/83/672984883.db2.gz ILOSLUXJEKRPHS-WFASDCNBSA-N 1 0 355.460 2.295 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CO ZINC000594016878 673021455 /nfs/dbraw/zinc/02/14/55/673021455.db2.gz LZXMTSCTMFPPPT-AWEZNQCLSA-N 1 0 351.403 2.169 20 5 FEBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000594959478 673180800 /nfs/dbraw/zinc/18/08/00/673180800.db2.gz DKPJEQGGWKLWEZ-VXMWWYGOSA-N 1 0 354.428 2.145 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000594995992 673184527 /nfs/dbraw/zinc/18/45/27/673184527.db2.gz PTURVEOQUAGQFI-CYBMUJFWSA-N 1 0 352.387 2.051 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000595051733 673189641 /nfs/dbraw/zinc/18/96/41/673189641.db2.gz WBZQCEXZBVFENG-GXTWGEPZSA-N 1 0 371.459 2.068 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000595344154 673228258 /nfs/dbraw/zinc/22/82/58/673228258.db2.gz AOAKQMOPTJAYOJ-HNNXBMFYSA-N 1 0 355.460 2.262 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000595346965 673229284 /nfs/dbraw/zinc/22/92/84/673229284.db2.gz ZILKKMKJTDDIIQ-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1c(C(=O)NCCC[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000729303472 673231826 /nfs/dbraw/zinc/23/18/26/673231826.db2.gz PCGNIZSMIGNUMK-UHFFFAOYSA-N 1 0 350.375 2.336 20 5 FEBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@H+](CC)C1 ZINC000596181022 673365650 /nfs/dbraw/zinc/36/56/50/673365650.db2.gz VPWCHHUCUZHZDU-OAHLLOKOSA-N 1 0 350.419 2.229 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000596189520 673366379 /nfs/dbraw/zinc/36/63/79/673366379.db2.gz JDSKLBGJXTVOBQ-CQSZACIVSA-N 1 0 362.817 2.244 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000536592893 673370814 /nfs/dbraw/zinc/37/08/14/673370814.db2.gz YOFMPSLNQYDSQB-GFCCVEGCSA-N 1 0 351.794 2.014 20 5 FEBDRO COC(=O)/C=C\c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000732804719 673383641 /nfs/dbraw/zinc/38/36/41/673383641.db2.gz CSQKCJWWPZHIAN-HYXAFXHYSA-N 1 0 351.428 2.242 20 5 FEBDRO NS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000596479623 673388764 /nfs/dbraw/zinc/38/87/64/673388764.db2.gz OBVKNPAUTWBKQC-ZDUSSCGKSA-N 1 0 368.459 2.061 20 5 FEBDRO Nc1c(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091758 673446135 /nfs/dbraw/zinc/44/61/35/673446135.db2.gz CUBILPXOJBCOOG-NSHDSACASA-N 1 0 353.810 2.436 20 5 FEBDRO Cc1c(Br)cc(C(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000598163960 673543036 /nfs/dbraw/zinc/54/30/36/673543036.db2.gz RJFKGRPMOUPAOR-UHFFFAOYSA-N 1 0 356.220 2.299 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000598713701 673602322 /nfs/dbraw/zinc/60/23/22/673602322.db2.gz CKRCWEPANYEFIF-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO CCC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000543623719 673657010 /nfs/dbraw/zinc/65/70/10/673657010.db2.gz AKILPAISGXWJDP-UHFFFAOYSA-N 1 0 356.444 2.165 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000599412449 673671945 /nfs/dbraw/zinc/67/19/45/673671945.db2.gz ITBPWMZDUWJVIG-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464534 673678541 /nfs/dbraw/zinc/67/85/41/673678541.db2.gz NKGFCAOSKNSGLQ-HNNXBMFYSA-N 1 0 353.444 2.031 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000600757930 673796946 /nfs/dbraw/zinc/79/69/46/673796946.db2.gz NEIDNLFXXQMHJS-SNVBAGLBSA-N 1 0 350.322 2.022 20 5 FEBDRO COc1cc(CN[C@@H]2CC[NH2+][C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000600771486 673797888 /nfs/dbraw/zinc/79/78/88/673797888.db2.gz GZEFHLJQOAOFCA-GXSJLCMTSA-N 1 0 363.336 2.385 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744801187 673811841 /nfs/dbraw/zinc/81/18/41/673811841.db2.gz MVUJOTOXPLUBNX-SNVBAGLBSA-N 1 0 350.375 2.191 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000601114044 673826788 /nfs/dbraw/zinc/82/67/88/673826788.db2.gz VGAIZHRTHHJXIS-LBPRGKRZSA-N 1 0 365.821 2.209 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCCO1 ZINC000601155912 673829551 /nfs/dbraw/zinc/82/95/51/673829551.db2.gz OIKPZWSVTWRCDT-SNVBAGLBSA-N 1 0 365.356 2.260 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000601357940 673847974 /nfs/dbraw/zinc/84/79/74/673847974.db2.gz IRUQJGBQEJFGQN-CYBMUJFWSA-N 1 0 373.500 2.461 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372046 673850155 /nfs/dbraw/zinc/85/01/55/673850155.db2.gz QMEMYIPOGBKCOP-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601387181 673853198 /nfs/dbraw/zinc/85/31/98/673853198.db2.gz OYWFCQQHYXQXKD-LLVKDONJSA-N 1 0 361.489 2.316 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000746662727 673888709 /nfs/dbraw/zinc/88/87/09/673888709.db2.gz HNMAWXHNMKHGHJ-ZDUSSCGKSA-N 1 0 353.423 2.028 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746715682 673890883 /nfs/dbraw/zinc/89/08/83/673890883.db2.gz XMOBCICLDOEVQV-SNVBAGLBSA-N 1 0 352.347 2.186 20 5 FEBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000602511808 673906921 /nfs/dbraw/zinc/90/69/21/673906921.db2.gz RHWVMRJSVRVCHX-SWLSCSKDSA-N 1 0 351.378 2.092 20 5 FEBDRO CO[C@@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602618902 673908647 /nfs/dbraw/zinc/90/86/47/673908647.db2.gz VRBYLNPFHYNDHH-LLVKDONJSA-N 1 0 351.222 2.314 20 5 FEBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769054 673910920 /nfs/dbraw/zinc/91/09/20/673910920.db2.gz LYBNVVQYBVDOHQ-ZFWWWQNUSA-N 1 0 351.451 2.117 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000602876096 673912450 /nfs/dbraw/zinc/91/24/50/673912450.db2.gz DNDWFFOVOGUSIL-HNNXBMFYSA-N 1 0 372.263 2.246 20 5 FEBDRO CC(C)Oc1nc(N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000566484358 675218001 /nfs/dbraw/zinc/21/80/01/675218001.db2.gz MWHWJXQTBNZEMX-ZDUSSCGKSA-N 1 0 352.435 2.058 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1F ZINC000818429266 675218671 /nfs/dbraw/zinc/21/86/71/675218671.db2.gz ABBRUWZREILEGM-LBPRGKRZSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cnc([C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000566792602 675243174 /nfs/dbraw/zinc/24/31/74/675243174.db2.gz GKCHIDFJFFYSRH-WCQYABFASA-N 1 0 351.428 2.493 20 5 FEBDRO CCOC(=O)c1csc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819257026 675274719 /nfs/dbraw/zinc/27/47/19/675274719.db2.gz RWZMPHBBKPOHCC-AWEZNQCLSA-N 1 0 365.411 2.094 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000819338576 675282985 /nfs/dbraw/zinc/28/29/85/675282985.db2.gz CRDWKNAYDIYUHR-CYBMUJFWSA-N 1 0 355.753 2.312 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC000819338577 675282994 /nfs/dbraw/zinc/28/29/94/675282994.db2.gz CRDWKNAYDIYUHR-ZDUSSCGKSA-N 1 0 355.753 2.312 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000567685493 675312618 /nfs/dbraw/zinc/31/26/18/675312618.db2.gz AYPATYAKHUEIMT-UKRRQHHQSA-N 1 0 366.805 2.309 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000823201047 675535940 /nfs/dbraw/zinc/53/59/40/675535940.db2.gz YDUFVTGJZGUUSS-NSHDSACASA-N 1 0 368.821 2.278 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000823750904 675570319 /nfs/dbraw/zinc/57/03/19/675570319.db2.gz YZUYOWXSQNHTNB-UHFFFAOYSA-N 1 0 357.357 2.022 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1F ZINC000824779455 675621903 /nfs/dbraw/zinc/62/19/03/675621903.db2.gz WQDAWJYDNKYMGO-UHFFFAOYSA-N 1 0 353.329 2.192 20 5 FEBDRO O=C(N1C[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000824831184 675624330 /nfs/dbraw/zinc/62/43/30/675624330.db2.gz VMJWORRRIFXJCI-DGCLKSJQSA-N 1 0 357.332 2.437 20 5 FEBDRO CC(C)c1ccc(C[NH2+]CCS(=O)(=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000824896847 675627161 /nfs/dbraw/zinc/62/71/61/675627161.db2.gz DXZAFASNNNECDM-UHFFFAOYSA-N 1 0 370.471 2.402 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000825197390 675640990 /nfs/dbraw/zinc/64/09/90/675640990.db2.gz WPXZSWRHJIYXFB-VXNVDRBHSA-N 1 0 360.183 2.354 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000826696738 675700731 /nfs/dbraw/zinc/70/07/31/675700731.db2.gz ZHCQCBNXSKYMOL-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000826796596 675706319 /nfs/dbraw/zinc/70/63/19/675706319.db2.gz LQRFEVCKKWCROZ-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C ZINC000827573795 675765804 /nfs/dbraw/zinc/76/58/04/675765804.db2.gz OXCGPFMTMHUWTD-NWDGAFQWSA-N 1 0 352.410 2.355 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000829257661 675872239 /nfs/dbraw/zinc/87/22/39/675872239.db2.gz PSEHMIDGNSTVKZ-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@@]2(CCSC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829261532 675872748 /nfs/dbraw/zinc/87/27/48/675872748.db2.gz MEDJMBSSDGMPDT-INIZCTEOSA-N 1 0 369.418 2.270 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](OC)CC2)cc1[N+](=O)[O-] ZINC000616136177 676240590 /nfs/dbraw/zinc/24/05/90/676240590.db2.gz OPXCCSOSWWKHNY-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc2n1CCOC2 ZINC000616365671 676247462 /nfs/dbraw/zinc/24/74/62/676247462.db2.gz IBZDWYSGEADCCT-GFCCVEGCSA-N 1 0 363.443 2.377 20 5 FEBDRO CON1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000839132038 680740279 /nfs/dbraw/zinc/74/02/79/680740279.db2.gz VJXFXAWFHGBSRS-UHFFFAOYSA-N 1 0 354.382 2.020 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000839433237 680752777 /nfs/dbraw/zinc/75/27/77/680752777.db2.gz GIFLHNVOMZFASK-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839554667 680761117 /nfs/dbraw/zinc/76/11/17/680761117.db2.gz BPIVEZAGSSEJPM-QWRGUYRKSA-N 1 0 356.220 2.491 20 5 FEBDRO C[NH+](C)CC(C)(C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000840321511 680815322 /nfs/dbraw/zinc/81/53/22/680815322.db2.gz YSUKFCSFBARSHF-UHFFFAOYSA-N 1 0 351.375 2.343 20 5 FEBDRO CCO[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831695486 680026558 /nfs/dbraw/zinc/02/65/58/680026558.db2.gz MJQOTSQMSKFOIX-LBPRGKRZSA-N 1 0 357.838 2.264 20 5 FEBDRO CCO[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831723029 680032766 /nfs/dbraw/zinc/03/27/66/680032766.db2.gz CTHZCDDYZQYIIE-LLVKDONJSA-N 1 0 361.801 2.013 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022065264 680193483 /nfs/dbraw/zinc/19/34/83/680193483.db2.gz VKERKRQCXXJMJN-XJFOESAGSA-N 1 0 357.332 2.107 20 5 FEBDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071841 680221878 /nfs/dbraw/zinc/22/18/78/680221878.db2.gz ZDJUJBLGONDEAY-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827636 680274029 /nfs/dbraw/zinc/27/40/29/680274029.db2.gz KPXAPFMSLVKQCO-YPMHNXCESA-N 1 0 361.423 2.399 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983647705 680317335 /nfs/dbraw/zinc/31/73/35/680317335.db2.gz BLGLXCOBALMUEU-XIDUGBJDSA-N 1 0 355.797 2.129 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000996428395 680332247 /nfs/dbraw/zinc/33/22/47/680332247.db2.gz AYDSPYYWPVLXOL-HUUCEWRRSA-N 1 0 353.369 2.370 20 5 FEBDRO C[NH2+]C(C)(C)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000754673549 680370170 /nfs/dbraw/zinc/37/01/70/680370170.db2.gz XBPXMZJRJNVNFQ-UHFFFAOYSA-N 1 0 355.338 2.298 20 5 FEBDRO O=C(NC1(C2CC[NH+](CC3CC(F)(F)C3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000153823 680421520 /nfs/dbraw/zinc/42/15/20/680421520.db2.gz MMJYITMBUWRHTI-ZIAGYGMSSA-N 1 0 357.401 2.058 20 5 FEBDRO CS(=O)(=O)CCOCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841748231 680910248 /nfs/dbraw/zinc/91/02/48/680910248.db2.gz IKBWBRWZLYFPEF-MRXNPFEDSA-N 1 0 356.444 2.013 20 5 FEBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842475056 680949143 /nfs/dbraw/zinc/94/91/43/680949143.db2.gz JNNWVMAGFONDDB-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC[C@@H]1[NH3+] ZINC000842798263 680967780 /nfs/dbraw/zinc/96/77/80/680967780.db2.gz OULCKDSTJQUTFC-QWRGUYRKSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1nn(CCC(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842833616 680970376 /nfs/dbraw/zinc/97/03/76/680970376.db2.gz MFINVEAFDIPYPA-OAHLLOKOSA-N 1 0 352.435 2.462 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769446132 680983271 /nfs/dbraw/zinc/98/32/71/680983271.db2.gz NZHMVQLBYLHTQO-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000843064116 680985318 /nfs/dbraw/zinc/98/53/18/680985318.db2.gz VXZGFDQWGNEDHY-DYVFJYSZSA-N 1 0 364.423 2.080 20 5 FEBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843104327 680987917 /nfs/dbraw/zinc/98/79/17/680987917.db2.gz FXTMHIZSOVEPRV-XPKDYRNWSA-N 1 0 366.439 2.498 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)cc1 ZINC000843116959 680988602 /nfs/dbraw/zinc/98/86/02/680988602.db2.gz XEKQYRIOPLITLR-PXAZEXFGSA-N 1 0 365.817 2.117 20 5 FEBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000770256809 681010746 /nfs/dbraw/zinc/01/07/46/681010746.db2.gz AXIUDEHVHNSNBA-UHFFFAOYSA-N 1 0 350.419 2.472 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000912588908 685400624 /nfs/dbraw/zinc/40/06/24/685400624.db2.gz YAAURPSYCAKPEN-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000932150696 681184323 /nfs/dbraw/zinc/18/43/23/681184323.db2.gz FELKVIQYSXVZLV-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000846973577 681315157 /nfs/dbraw/zinc/31/51/57/681315157.db2.gz QBCJBMWPAHOKLW-CYBMUJFWSA-N 1 0 350.375 2.368 20 5 FEBDRO CCOc1ccc(C(=O)OC2CC[NH+](CCOC)CC2)cc1[N+](=O)[O-] ZINC000847881603 681445539 /nfs/dbraw/zinc/44/55/39/681445539.db2.gz PJOOMQLNJPJASF-UHFFFAOYSA-N 1 0 352.387 2.261 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933737689 681460060 /nfs/dbraw/zinc/46/00/60/681460060.db2.gz DBBLHIHHQKGBOY-BWACUDIHSA-N 1 0 366.849 2.459 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933799516 681468684 /nfs/dbraw/zinc/46/86/84/681468684.db2.gz YXYBSYFRNANZIJ-SECBINFHSA-N 1 0 358.801 2.383 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCC(C)(C)F)c2)CC1 ZINC000934038899 681499173 /nfs/dbraw/zinc/49/91/73/681499173.db2.gz TYCCSCSNLJJYKN-UHFFFAOYSA-N 1 0 353.398 2.216 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848581267 681582132 /nfs/dbraw/zinc/58/21/32/681582132.db2.gz OBXGQVQQPLPDME-UHFFFAOYSA-N 1 0 357.357 2.367 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848591381 681585476 /nfs/dbraw/zinc/58/54/76/681585476.db2.gz LUCOSAYFUNCRRM-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920518 685466804 /nfs/dbraw/zinc/46/68/04/685466804.db2.gz XKJYQWZIPRVYMZ-DGCLKSJQSA-N 1 0 353.806 2.322 20 5 FEBDRO CS[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000935112651 681690353 /nfs/dbraw/zinc/69/03/53/681690353.db2.gz GDTCOQDAGIWRAE-CABCVRRESA-N 1 0 355.435 2.171 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000849388279 681708541 /nfs/dbraw/zinc/70/85/41/681708541.db2.gz RXFAIZLAQRGRDO-UHFFFAOYSA-N 1 0 366.443 2.152 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000780866078 681879281 /nfs/dbraw/zinc/87/92/81/681879281.db2.gz IFKLWSMQIWSYIN-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000850588836 681920548 /nfs/dbraw/zinc/92/05/48/681920548.db2.gz GPHBXTPNIHAMBT-CYBMUJFWSA-N 1 0 371.434 2.134 20 5 FEBDRO CC[N@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000783321990 682135080 /nfs/dbraw/zinc/13/50/80/682135080.db2.gz LPAPXOZLSRNHDQ-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000783323130 682135104 /nfs/dbraw/zinc/13/51/04/682135104.db2.gz HSBGEZFMMMMFRM-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000851857018 682164875 /nfs/dbraw/zinc/16/48/75/682164875.db2.gz KMYCJZGQAHRRAK-UHFFFAOYSA-N 1 0 361.439 2.441 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000917061850 685529353 /nfs/dbraw/zinc/52/93/53/685529353.db2.gz AOGJZGQBHJLHCG-LLVKDONJSA-N 1 0 350.375 2.200 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719468 682248578 /nfs/dbraw/zinc/24/85/78/682248578.db2.gz ASRDQWQLFGDBAA-WCQYABFASA-N 1 0 373.450 2.441 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000852314335 682258604 /nfs/dbraw/zinc/25/86/04/682258604.db2.gz RQRATPMQJYFXPJ-GFCCVEGCSA-N 1 0 366.219 2.471 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852501428 682291511 /nfs/dbraw/zinc/29/15/11/682291511.db2.gz MGQRLNVMYXLPAI-KRWDZBQOSA-N 1 0 351.378 2.299 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065817 682370265 /nfs/dbraw/zinc/37/02/65/682370265.db2.gz ZTVDKBJEMCWDGJ-GFCCVEGCSA-N 1 0 369.219 2.047 20 5 FEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711110 682553044 /nfs/dbraw/zinc/55/30/44/682553044.db2.gz KIBFXJKLJCUFRS-WFASDCNBSA-N 1 0 352.435 2.005 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000855161312 682633993 /nfs/dbraw/zinc/63/39/93/682633993.db2.gz NWZFCPYYASZIEK-JTQLQIEISA-N 1 0 363.443 2.450 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855809257 682715106 /nfs/dbraw/zinc/71/51/06/682715106.db2.gz AGQVUEZQDKKIFL-NSHDSACASA-N 1 0 350.394 2.453 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575430 682980720 /nfs/dbraw/zinc/98/07/20/682980720.db2.gz BJZWIVGSWBZWEO-IRUJWGPZSA-N 1 0 368.821 2.080 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+]1C ZINC000798173280 683317765 /nfs/dbraw/zinc/31/77/65/683317765.db2.gz WJDLVVPZWALBJN-VHSXEESVSA-N 1 0 371.235 2.307 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000862796643 683635319 /nfs/dbraw/zinc/63/53/19/683635319.db2.gz SCCSHCXKACBCRS-GFCCVEGCSA-N 1 0 350.375 2.273 20 5 FEBDRO NC(=O)C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929770261 683637118 /nfs/dbraw/zinc/63/71/18/683637118.db2.gz DMBWCLVARSQAFR-SNVBAGLBSA-N 1 0 356.220 2.445 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOC3CCSCC3)C2)nc1 ZINC000929988453 683665690 /nfs/dbraw/zinc/66/56/90/683665690.db2.gz OBSKNSYBHAXVGJ-CYBMUJFWSA-N 1 0 352.460 2.388 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000865789643 684029110 /nfs/dbraw/zinc/02/91/10/684029110.db2.gz LHXXBFMJJMSMDJ-CYBMUJFWSA-N 1 0 351.378 2.107 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC000867307586 684243409 /nfs/dbraw/zinc/24/34/09/684243409.db2.gz BVCNIMMAVSLRDS-GHMZBOCLSA-N 1 0 361.851 2.270 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309292 684244132 /nfs/dbraw/zinc/24/41/32/684244132.db2.gz RDRIZMKOVBQKIE-LDYMZIIASA-N 1 0 365.814 2.100 20 5 FEBDRO COc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000931281983 684253870 /nfs/dbraw/zinc/25/38/70/684253870.db2.gz CZUFBFPAZIVEJY-HBYGRHMLSA-N 1 0 357.357 2.197 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923732935 684341707 /nfs/dbraw/zinc/34/17/07/684341707.db2.gz YJUPCNJZDBVASL-OAHLLOKOSA-N 1 0 373.862 2.463 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1C ZINC000923735632 684342558 /nfs/dbraw/zinc/34/25/58/684342558.db2.gz KPADEUGYPCZTIY-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CC[NH2+]CC2)cc1SC ZINC000868003251 684437939 /nfs/dbraw/zinc/43/79/39/684437939.db2.gz SWEIHOCSHXTNKG-SNVBAGLBSA-N 1 0 353.444 2.443 20 5 FEBDRO COc1ccc(OCCN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000872151245 684922970 /nfs/dbraw/zinc/92/29/70/684922970.db2.gz JZDGGXNKYFNGTA-JQWIXIFHSA-N 1 0 363.336 2.051 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828157 685676139 /nfs/dbraw/zinc/67/61/39/685676139.db2.gz FVTVRFIRSPSMCL-VXGBXAGGSA-N 1 0 369.219 2.061 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000877370140 686367448 /nfs/dbraw/zinc/36/74/48/686367448.db2.gz RCFZVXSFFLDLJU-QWRGUYRKSA-N 1 0 361.320 2.203 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000878711906 686641185 /nfs/dbraw/zinc/64/11/85/686641185.db2.gz VGJLHMKNIBITEF-UHFFFAOYSA-N 1 0 355.439 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1F ZINC000878871660 686679573 /nfs/dbraw/zinc/67/95/73/686679573.db2.gz RURAVLDEZTZHKW-OAHLLOKOSA-N 1 0 369.462 2.374 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000879273606 686784641 /nfs/dbraw/zinc/78/46/41/686784641.db2.gz WRBQXNVPFZLSCS-IRXDYDNUSA-N 1 0 350.415 2.120 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000879274401 686784892 /nfs/dbraw/zinc/78/48/92/686784892.db2.gz PSALDCMADIVLHP-SJORKVTESA-N 1 0 352.337 2.404 20 5 FEBDRO CC(C)[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1C ZINC000879601198 686867467 /nfs/dbraw/zinc/86/74/67/686867467.db2.gz LMTDWWUIAMCJIU-MRXNPFEDSA-N 1 0 352.410 2.335 20 5 FEBDRO COCC1([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000880188251 687013475 /nfs/dbraw/zinc/01/34/75/687013475.db2.gz WQPZUORORVHRIC-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CC1(C)[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1[NH3+] ZINC000884355996 687855135 /nfs/dbraw/zinc/85/51/35/687855135.db2.gz VPGCSOFTMOOZRE-VHSXEESVSA-N 1 0 360.183 2.352 20 5 FEBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1(F)F ZINC000894785849 689595562 /nfs/dbraw/zinc/59/55/62/689595562.db2.gz CJHQMIZGQZHONU-OCCSQVGLSA-N 1 0 353.325 2.263 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000894848392 689608524 /nfs/dbraw/zinc/60/85/24/689608524.db2.gz OSXNSBRIYQDFJZ-UHFFFAOYSA-N 1 0 369.849 2.219 20 5 FEBDRO CCC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895056662 689649650 /nfs/dbraw/zinc/64/96/50/689649650.db2.gz BWAIWNJSRPQSQE-SNVBAGLBSA-N 1 0 363.386 2.169 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000895928778 689795002 /nfs/dbraw/zinc/79/50/02/689795002.db2.gz VEDPSUFXPQEDHR-TZMCWYRMSA-N 1 0 352.387 2.146 20 5 FEBDRO CCO[C@H](CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])C[NH+](C)C ZINC000896118136 689822861 /nfs/dbraw/zinc/82/28/61/689822861.db2.gz RLRGLWZYTPUOLP-CQSZACIVSA-N 1 0 352.435 2.112 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000897221368 689990119 /nfs/dbraw/zinc/99/01/19/689990119.db2.gz LYOBDLSJHQVSKL-STQMWFEESA-N 1 0 357.357 2.232 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CC23CC(O)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000897848680 690089826 /nfs/dbraw/zinc/08/98/26/690089826.db2.gz PBYMERRHJIKJKD-XHYCCTMSSA-N 1 0 358.341 2.250 20 5 FEBDRO COc1ccc(OCCN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000903538265 690916856 /nfs/dbraw/zinc/91/68/56/690916856.db2.gz AMIWEKFLTOAKAC-RYUDHWBXSA-N 1 0 363.336 2.194 20 5 FEBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000904019945 690995045 /nfs/dbraw/zinc/99/50/45/690995045.db2.gz KNAAELUDBSNMAP-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO CC1(C)CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000905416392 691116704 /nfs/dbraw/zinc/11/67/04/691116704.db2.gz AAMOFCXQWFQEMR-CQSZACIVSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000905477775 691123653 /nfs/dbraw/zinc/12/36/53/691123653.db2.gz HJSPQOODOSOLBX-HNNXBMFYSA-N 1 0 368.455 2.307 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000905640283 691155272 /nfs/dbraw/zinc/15/52/72/691155272.db2.gz JUKCFBOLJGXLOZ-INIZCTEOSA-N 1 0 352.431 2.377 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906672786 691300054 /nfs/dbraw/zinc/30/00/54/691300054.db2.gz NBXZBHCGKHKZOT-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO Nc1c(Cl)cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000906774697 691313890 /nfs/dbraw/zinc/31/38/90/691313890.db2.gz GHTMQJQHXJJXTN-LLVKDONJSA-N 1 0 352.822 2.388 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000907555234 691518547 /nfs/dbraw/zinc/51/85/47/691518547.db2.gz SAAUFAGEZCBRTR-ABAIWWIYSA-N 1 0 373.862 2.129 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000907855280 691571259 /nfs/dbraw/zinc/57/12/59/691571259.db2.gz GZZZCGZOHCQVRH-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO CSc1cccc(C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000908600894 691703926 /nfs/dbraw/zinc/70/39/26/691703926.db2.gz XTSPUGHLRIHWCN-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928499 721857326 /nfs/dbraw/zinc/85/73/26/721857326.db2.gz NROMMKSTRACTFK-QWHCGFSZSA-N 1 0 353.854 2.166 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967266 722070810 /nfs/dbraw/zinc/07/08/10/722070810.db2.gz LMPXJHGNWMHXKE-BETUJISGSA-N 1 0 352.822 2.251 20 5 FEBDRO COC(=O)COc1ccc(CNc2cccc(N(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC000473486236 810360314 /nfs/dbraw/zinc/36/03/14/810360314.db2.gz CNTOYUBDQDOZFD-UHFFFAOYSA-N 1 0 360.370 2.220 20 5 FEBDRO COC1CC[NH+](C2(CNc3ccc4ncc([N+](=O)[O-])n4n3)CCCC2)CC1 ZINC000502340619 813965921 /nfs/dbraw/zinc/96/59/21/813965921.db2.gz JHYFXOHYLCOERZ-UHFFFAOYSA-N 1 0 374.445 2.473 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473519087 889578595 /nfs/dbraw/zinc/57/85/95/889578595.db2.gz GDCRKRUOTJBTGB-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000012613476 539567704 /nfs/dbraw/zinc/56/77/04/539567704.db2.gz PJIPBCJCLIVLAK-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000032927045 539959300 /nfs/dbraw/zinc/95/93/00/539959300.db2.gz CTWISNSQDNROGM-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041652458 540029295 /nfs/dbraw/zinc/02/92/95/540029295.db2.gz ZZBHHDQGZGKUCE-STQMWFEESA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041652452 540029702 /nfs/dbraw/zinc/02/97/02/540029702.db2.gz ZZBHHDQGZGKUCE-QWHCGFSZSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000044582253 540131770 /nfs/dbraw/zinc/13/17/70/540131770.db2.gz RYRRTECLEOBIFK-BETUJISGSA-N 1 0 363.414 2.421 20 5 FEBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000046230881 540248684 /nfs/dbraw/zinc/24/86/84/540248684.db2.gz HKVFHVXIESVMGZ-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000047453424 540312055 /nfs/dbraw/zinc/31/20/55/540312055.db2.gz YYAKWDAVEWJXPJ-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1cccc(F)c1 ZINC000048313107 540356564 /nfs/dbraw/zinc/35/65/64/540356564.db2.gz HGZHTXIRXWOEEG-OAHLLOKOSA-N 1 0 364.352 2.488 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000048799100 540373761 /nfs/dbraw/zinc/37/37/61/540373761.db2.gz LXWMOVYWQLCUDO-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000048842913 540375287 /nfs/dbraw/zinc/37/52/87/540375287.db2.gz DYYYWWKRTMBXMC-INIZCTEOSA-N 1 0 374.372 2.092 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000049969043 540395449 /nfs/dbraw/zinc/39/54/49/540395449.db2.gz MXZWOZZTPKTUJQ-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000051003347 540419352 /nfs/dbraw/zinc/41/93/52/540419352.db2.gz AEPPUKWCGMJTDM-ZDUSSCGKSA-N 1 0 363.414 2.200 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C[C@H](C)O1 ZINC000051764510 540443806 /nfs/dbraw/zinc/44/38/06/540443806.db2.gz MORYNYQCDSADQF-GASCZTMLSA-N 1 0 361.442 2.443 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000052101455 540454337 /nfs/dbraw/zinc/45/43/37/540454337.db2.gz WKCPFXAYODNAGO-STQMWFEESA-N 1 0 370.475 2.178 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000055240505 540639075 /nfs/dbraw/zinc/63/90/75/540639075.db2.gz SJECJCAAXNQLJZ-NEPJUHHUSA-N 1 0 359.423 2.133 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056140920 540706126 /nfs/dbraw/zinc/70/61/26/540706126.db2.gz MHBXAFZSFVKYFZ-AGUYFDCRSA-N 1 0 353.444 2.054 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@@H+]1CCc2ccccc2C1 ZINC000058093793 540829097 /nfs/dbraw/zinc/82/90/97/540829097.db2.gz BYRKZUMKVHPSKX-LBPRGKRZSA-N 1 0 372.400 2.493 20 5 FEBDRO CC[C@H](C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC000538823448 540895756 /nfs/dbraw/zinc/89/57/56/540895756.db2.gz YHFXCBZZDRWMSP-MRXNPFEDSA-N 1 0 374.445 2.187 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000062121038 541145245 /nfs/dbraw/zinc/14/52/45/541145245.db2.gz ZZBHHDQGZGKUCE-OLZOCXBDSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1cccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000064333629 541201791 /nfs/dbraw/zinc/20/17/91/541201791.db2.gz BXDMCFBVFYKGOW-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO C[N@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916277 541220508 /nfs/dbraw/zinc/22/05/08/541220508.db2.gz DEBFVDLDHFGZPG-UHFFFAOYSA-N 1 0 353.382 2.375 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000066307299 541299794 /nfs/dbraw/zinc/29/97/94/541299794.db2.gz PUBPGLMJKCZJSZ-STQMWFEESA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000066484807 541325802 /nfs/dbraw/zinc/32/58/02/541325802.db2.gz VZJLZLZQCSGNPP-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000068341448 541579071 /nfs/dbraw/zinc/57/90/71/541579071.db2.gz WEWSXUAYXMIVST-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000068320752 541576711 /nfs/dbraw/zinc/57/67/11/541576711.db2.gz ALUXFRXHFPVFPT-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000068882738 541636449 /nfs/dbraw/zinc/63/64/49/541636449.db2.gz SSHMNGJFSKTKKS-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000070829472 541745751 /nfs/dbraw/zinc/74/57/51/541745751.db2.gz WHMBGDZJYFNRIN-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000070938058 541753012 /nfs/dbraw/zinc/75/30/12/541753012.db2.gz TVHVBPWLVQCOLN-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000072716230 541856266 /nfs/dbraw/zinc/85/62/66/541856266.db2.gz JWMBBZNQPSAGKN-HNNXBMFYSA-N 1 0 367.471 2.256 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072759292 541860535 /nfs/dbraw/zinc/86/05/35/541860535.db2.gz WOIRZBHSDGTVPQ-MRXNPFEDSA-N 1 0 360.458 2.290 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072759295 541860705 /nfs/dbraw/zinc/86/07/05/541860705.db2.gz WOIRZBHSDGTVPQ-INIZCTEOSA-N 1 0 360.458 2.290 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000073108844 541919887 /nfs/dbraw/zinc/91/98/87/541919887.db2.gz QCWXDIQYSGQIDP-CQSZACIVSA-N 1 0 370.409 2.137 20 5 FEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000074971126 542143153 /nfs/dbraw/zinc/14/31/53/542143153.db2.gz BUBKDDIRYZQQEP-NWDGAFQWSA-N 1 0 359.835 2.105 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075639737 542195077 /nfs/dbraw/zinc/19/50/77/542195077.db2.gz VBABKOIYRVTWBP-UHFFFAOYSA-N 1 0 369.487 2.477 20 5 FEBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000075719893 542200501 /nfs/dbraw/zinc/20/05/01/542200501.db2.gz KKKAENQIWAEOMM-YOEHRIQHSA-N 1 0 362.430 2.114 20 5 FEBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555178 674135001 /nfs/dbraw/zinc/13/50/01/674135001.db2.gz GEQANYOWUPLBDC-MFKMUULPSA-N 1 0 359.220 2.329 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000801571816 674136830 /nfs/dbraw/zinc/13/68/30/674136830.db2.gz CRNFUVGUBKBYPM-MRXNPFEDSA-N 1 0 353.423 2.028 20 5 FEBDRO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000076331270 542261210 /nfs/dbraw/zinc/26/12/10/542261210.db2.gz UGYILFFHJATEKL-LBPRGKRZSA-N 1 0 369.853 2.253 20 5 FEBDRO CCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076405102 542275212 /nfs/dbraw/zinc/27/52/12/542275212.db2.gz UUOQNEXBOGUOGT-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000078643753 542473571 /nfs/dbraw/zinc/47/35/71/542473571.db2.gz WHOFCEPJDFDJSC-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000079685230 542536633 /nfs/dbraw/zinc/53/66/33/542536633.db2.gz SUQNJDXBZSAQFD-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089927034 542774102 /nfs/dbraw/zinc/77/41/02/542774102.db2.gz UTQUIRRSTUDQQP-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093045306 542904457 /nfs/dbraw/zinc/90/44/57/542904457.db2.gz OIPYUGOSVRKJKT-VQHVLOKHSA-N 1 0 360.458 2.094 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)nc1 ZINC000093534735 542933756 /nfs/dbraw/zinc/93/37/56/542933756.db2.gz NQSJQNLJCWYLNX-HNNXBMFYSA-N 1 0 365.397 2.257 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)nc1 ZINC000093534709 542933925 /nfs/dbraw/zinc/93/39/25/542933925.db2.gz MCGRYPRIVMEYNR-OAHLLOKOSA-N 1 0 365.397 2.461 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000093963085 542947077 /nfs/dbraw/zinc/94/70/77/542947077.db2.gz AVKRPSOIHRTASY-UHFFFAOYSA-N 1 0 362.474 2.277 20 5 FEBDRO CC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000101540007 543029706 /nfs/dbraw/zinc/02/97/06/543029706.db2.gz YCRSGTCPDMQEFO-MRXNPFEDSA-N 1 0 362.430 2.152 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1 ZINC000102233870 543063802 /nfs/dbraw/zinc/06/38/02/543063802.db2.gz NJQSGFSIQIMYAR-UHFFFAOYSA-N 1 0 361.402 2.106 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332804 543065446 /nfs/dbraw/zinc/06/54/46/543065446.db2.gz RCUGTIKQBPHAFQ-GASCZTMLSA-N 1 0 365.478 2.401 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCC2)cc1OC ZINC000103119070 543093076 /nfs/dbraw/zinc/09/30/76/543093076.db2.gz BNMZNQKLNCQPJP-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO C[C@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000104684192 543137539 /nfs/dbraw/zinc/13/75/39/543137539.db2.gz GHGDALRCBGHDBT-AWEZNQCLSA-N 1 0 361.442 2.499 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc([N+](=O)[O-])c1 ZINC000107283087 543265174 /nfs/dbraw/zinc/26/51/74/543265174.db2.gz YCDZONBFNJUNHD-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000107601426 543273549 /nfs/dbraw/zinc/27/35/49/543273549.db2.gz CGOUMRMJTKWQHX-ZDUSSCGKSA-N 1 0 351.378 2.200 20 5 FEBDRO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108342246 543287267 /nfs/dbraw/zinc/28/72/67/543287267.db2.gz UXIHQHDRDZHMSF-ZDUSSCGKSA-N 1 0 357.414 2.067 20 5 FEBDRO Cc1c(C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000109788990 543339429 /nfs/dbraw/zinc/33/94/29/543339429.db2.gz BEHBKBBCTLYRNP-UHFFFAOYSA-N 1 0 374.485 2.279 20 5 FEBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000110356277 543355670 /nfs/dbraw/zinc/35/56/70/543355670.db2.gz CRPBTSYYZWSCDK-CQSZACIVSA-N 1 0 359.430 2.163 20 5 FEBDRO CNC(=O)[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000111269358 543390641 /nfs/dbraw/zinc/39/06/41/543390641.db2.gz TXFKKEGEWBCVDG-CQSZACIVSA-N 1 0 358.398 2.250 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275128 543391708 /nfs/dbraw/zinc/39/17/08/543391708.db2.gz VIWQKCSLKQQOKZ-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000111461579 543402334 /nfs/dbraw/zinc/40/23/34/543402334.db2.gz HEQHPKYTNILHGB-HNNXBMFYSA-N 1 0 350.419 2.277 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000112918513 543467725 /nfs/dbraw/zinc/46/77/25/543467725.db2.gz YBPKDRNSPKLNDQ-UHFFFAOYSA-N 1 0 351.451 2.221 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247466276 549337806 /nfs/dbraw/zinc/33/78/06/549337806.db2.gz RLNNCOWAIOLFLD-LRDDRELGSA-N 1 0 363.414 2.184 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115585647 543576244 /nfs/dbraw/zinc/57/62/44/543576244.db2.gz AWENFCRRARUYJD-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115585649 543576286 /nfs/dbraw/zinc/57/62/86/543576286.db2.gz AWENFCRRARUYJD-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000552023599 674182660 /nfs/dbraw/zinc/18/26/60/674182660.db2.gz BOPGUYCIJQCDSC-CYBMUJFWSA-N 1 0 355.460 2.139 20 5 FEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000247477954 549340502 /nfs/dbraw/zinc/34/05/02/549340502.db2.gz JWACMHMLHUDELQ-JYJNAYRXSA-N 1 0 354.451 2.068 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000122174377 543704615 /nfs/dbraw/zinc/70/46/15/543704615.db2.gz VAUFXJYBRKQMAE-ZZXKWVIFSA-N 1 0 367.452 2.238 20 5 FEBDRO C[NH+](C)CCOc1cc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])ccn1 ZINC000124037691 543798268 /nfs/dbraw/zinc/79/82/68/543798268.db2.gz YACJQPHNIWFBMU-BQYQJAHWSA-N 1 0 370.409 2.260 20 5 FEBDRO Cc1nn(C)c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000126504202 543940602 /nfs/dbraw/zinc/94/06/02/543940602.db2.gz ZQBQZYJNZOHISU-STQMWFEESA-N 1 0 351.451 2.125 20 5 FEBDRO C[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000127264421 543981577 /nfs/dbraw/zinc/98/15/77/543981577.db2.gz XGDRYBIUQQOPJH-CVEARBPZSA-N 1 0 360.458 2.269 20 5 FEBDRO CSc1ccc(C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000129241792 544099302 /nfs/dbraw/zinc/09/93/02/544099302.db2.gz GZQWGHVJFWVVIH-KGLIPLIRSA-N 1 0 365.455 2.300 20 5 FEBDRO O=C(CC[NH2+][C@@]1(CO)CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000129279709 544102769 /nfs/dbraw/zinc/10/27/69/544102769.db2.gz QZCLNRMIDNJURN-LJQANCHMSA-N 1 0 373.384 2.486 20 5 FEBDRO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452894 544347252 /nfs/dbraw/zinc/34/72/52/544347252.db2.gz WIDZTIIFAUBGKF-JKSUJKDBSA-N 1 0 358.398 2.070 20 5 FEBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135565222 544352940 /nfs/dbraw/zinc/35/29/40/544352940.db2.gz FPNARGLNIMPHRW-WMLDXEAASA-N 1 0 360.414 2.077 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000135593442 544354998 /nfs/dbraw/zinc/35/49/98/544354998.db2.gz SOGPYVQMRGYETQ-UHFFFAOYSA-N 1 0 363.414 2.113 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000146591501 544440415 /nfs/dbraw/zinc/44/04/15/544440415.db2.gz KOJCSEYGKHNFJA-GFCCVEGCSA-N 1 0 359.835 2.107 20 5 FEBDRO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000151172232 544513060 /nfs/dbraw/zinc/51/30/60/544513060.db2.gz BYHQTKOIGBXWHL-HNNXBMFYSA-N 1 0 357.414 2.162 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000151897214 544594066 /nfs/dbraw/zinc/59/40/66/544594066.db2.gz ZBSGOLFCDJQBEH-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153652214 544804011 /nfs/dbraw/zinc/80/40/11/544804011.db2.gz JZVBKDHYYVKCOH-CQSZACIVSA-N 1 0 363.462 2.298 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)c1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000553265428 674249298 /nfs/dbraw/zinc/24/92/98/674249298.db2.gz LPLOALPDDYKVSH-UHFFFAOYSA-N 1 0 350.419 2.397 20 5 FEBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000553358730 674255276 /nfs/dbraw/zinc/25/52/76/674255276.db2.gz MYHSANMTSVJZNA-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184600641 327874896 /nfs/dbraw/zinc/87/48/96/327874896.db2.gz TWQCHRZPDWVXDX-AWEZNQCLSA-N 1 0 355.460 2.088 20 5 FEBDRO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000184860958 327886178 /nfs/dbraw/zinc/88/61/78/327886178.db2.gz GRSWQIQBDHPOIA-ZDUSSCGKSA-N 1 0 373.373 2.129 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000185118209 327900534 /nfs/dbraw/zinc/90/05/34/327900534.db2.gz OGJZRPWDWZDPAC-LLVKDONJSA-N 1 0 361.439 2.297 20 5 FEBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186796740 327983109 /nfs/dbraw/zinc/98/31/09/327983109.db2.gz WYWBTDKDMNFHSO-UHFFFAOYSA-N 1 0 356.382 2.221 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000188142181 328069027 /nfs/dbraw/zinc/06/90/27/328069027.db2.gz LLKIIKKTVPNJJE-OAHLLOKOSA-N 1 0 357.414 2.447 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000189146911 328131048 /nfs/dbraw/zinc/13/10/48/328131048.db2.gz OWCQQJWPRGSMBM-HUUCEWRRSA-N 1 0 369.487 2.177 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189129883 328130157 /nfs/dbraw/zinc/13/01/57/328130157.db2.gz DQYKGOVXXIHDKY-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000189331047 328141401 /nfs/dbraw/zinc/14/14/01/328141401.db2.gz DZPAATLMZOAHRR-UHFFFAOYSA-N 1 0 362.430 2.099 20 5 FEBDRO COC(=O)c1cnc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000189372534 328143916 /nfs/dbraw/zinc/14/39/16/328143916.db2.gz CYTVRBSWSTUELZ-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000190696261 328225646 /nfs/dbraw/zinc/22/56/46/328225646.db2.gz VYBZSUOBRVDKSP-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191479593 328267553 /nfs/dbraw/zinc/26/75/53/328267553.db2.gz LGROCIOTCIDUHS-QGZVFWFLSA-N 1 0 357.410 2.383 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191802571 328282801 /nfs/dbraw/zinc/28/28/01/328282801.db2.gz DLDLHUNEDZDKHZ-HIFRSBDPSA-N 1 0 363.414 2.363 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000191994979 328292427 /nfs/dbraw/zinc/29/24/27/328292427.db2.gz QUYLBFZUTDALBZ-SCRDCRAPSA-N 1 0 351.403 2.077 20 5 FEBDRO CN(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000192685608 328333142 /nfs/dbraw/zinc/33/31/42/328333142.db2.gz DAMQWBBKFMOGCV-MRXNPFEDSA-N 1 0 367.402 2.315 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192754243 328337684 /nfs/dbraw/zinc/33/76/84/328337684.db2.gz BAGRTKWXQMELAH-UHFFFAOYSA-N 1 0 365.478 2.448 20 5 FEBDRO CC(C)[NH+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000023179749 324402961 /nfs/dbraw/zinc/40/29/61/324402961.db2.gz RENWSJULYQWMBW-UHFFFAOYSA-N 1 0 360.418 2.024 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000027118320 324430836 /nfs/dbraw/zinc/43/08/36/324430836.db2.gz RIFVXGBKRICEJX-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO COC(=O)c1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000033083782 324482959 /nfs/dbraw/zinc/48/29/59/324482959.db2.gz DAYXHPMWGVEVIP-UHFFFAOYSA-N 1 0 371.393 2.373 20 5 FEBDRO C[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C[NH+]1CCCC1 ZINC000077686464 325005246 /nfs/dbraw/zinc/00/52/46/325005246.db2.gz CEBHHNFHWVFVLI-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000237317518 328512111 /nfs/dbraw/zinc/51/21/11/328512111.db2.gz BHKRQPABZAZOIF-LLVKDONJSA-N 1 0 361.851 2.177 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079557368 325096874 /nfs/dbraw/zinc/09/68/74/325096874.db2.gz GPNWVMOLHSESLC-PBHICJAKSA-N 1 0 371.441 2.269 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095753 325159130 /nfs/dbraw/zinc/15/91/30/325159130.db2.gz VCWNVIPCCCETAP-CZUORRHYSA-N 1 0 364.446 2.204 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083171073 325214224 /nfs/dbraw/zinc/21/42/24/325214224.db2.gz NQZKNHZXSCCWGZ-INIZCTEOSA-N 1 0 373.457 2.338 20 5 FEBDRO CCOc1ccc(C2=CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091813551 325394646 /nfs/dbraw/zinc/39/46/46/325394646.db2.gz HFIKUSQROLUIMJ-SFHVURJKSA-N 1 0 372.425 2.340 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000098104624 325466836 /nfs/dbraw/zinc/46/68/36/325466836.db2.gz PZXXIZGDZUSERP-AWEZNQCLSA-N 1 0 351.451 2.123 20 5 FEBDRO Cc1cc(C)n(CC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000106187437 325590008 /nfs/dbraw/zinc/59/00/08/325590008.db2.gz HTOYGSRARGVFJS-UHFFFAOYSA-N 1 0 371.441 2.419 20 5 FEBDRO C[C@@H]([NH2+]CCn1cccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000112548082 325789149 /nfs/dbraw/zinc/78/91/49/325789149.db2.gz HSYOPAVHSMKYLK-SNVBAGLBSA-N 1 0 371.319 2.427 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000117727120 326068392 /nfs/dbraw/zinc/06/83/92/326068392.db2.gz FFGBUDLOSUWENJ-CYBMUJFWSA-N 1 0 358.402 2.199 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000119901452 326210932 /nfs/dbraw/zinc/21/09/32/326210932.db2.gz PZVULDHPCQJSKA-KDOFPFPSSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000120920908 326298810 /nfs/dbraw/zinc/29/88/10/326298810.db2.gz JWIMPPWDWPYEOE-TZMCWYRMSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000121832005 326370578 /nfs/dbraw/zinc/37/05/78/326370578.db2.gz VDJHPDNXTNFNJR-KGLIPLIRSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000121832458 326370751 /nfs/dbraw/zinc/37/07/51/326370751.db2.gz VDJHPDNXTNFNJR-UONOGXRCSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000122280831 326390816 /nfs/dbraw/zinc/39/08/16/326390816.db2.gz KSTSXWQPPVSDHV-RDJZCZTQSA-N 1 0 372.425 2.224 20 5 FEBDRO COc1cc(OCC(=O)NCC2([NH3+])CCCCCC2)ccc1[N+](=O)[O-] ZINC000122403097 326395700 /nfs/dbraw/zinc/39/57/00/326395700.db2.gz DZSZRSFZXXCMOV-UHFFFAOYSA-N 1 0 351.403 2.150 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000124110083 326447804 /nfs/dbraw/zinc/44/78/04/326447804.db2.gz ADICEIOQUSVTEO-LLVKDONJSA-N 1 0 361.851 2.129 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000126296102 326486376 /nfs/dbraw/zinc/48/63/76/326486376.db2.gz DSCZBYVLKFCVON-UHFFFAOYSA-N 1 0 361.489 2.317 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000128640956 326527410 /nfs/dbraw/zinc/52/74/10/326527410.db2.gz DNXSCGIITBYLGB-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128860391 326530918 /nfs/dbraw/zinc/53/09/18/326530918.db2.gz WQKMKSYSSHLZCO-AEFFLSMTSA-N 1 0 369.425 2.454 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000132997052 326601421 /nfs/dbraw/zinc/60/14/21/326601421.db2.gz QYVCLNWAZVVQPB-GFCCVEGCSA-N 1 0 366.296 2.246 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(C)(C)C[NH+](C)C ZINC000137231104 326659123 /nfs/dbraw/zinc/65/91/23/326659123.db2.gz ONPRUSQICUIJSZ-GFCCVEGCSA-N 1 0 369.487 2.385 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000155580029 326794480 /nfs/dbraw/zinc/79/44/80/326794480.db2.gz WCYXEARCJYNDDT-LJQANCHMSA-N 1 0 358.442 2.023 20 5 FEBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000156198318 326821540 /nfs/dbraw/zinc/82/15/40/326821540.db2.gz DCVOWOVWSTZAOH-JGVFFNPUSA-N 1 0 368.242 2.273 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162242632 327020634 /nfs/dbraw/zinc/02/06/34/327020634.db2.gz JOSJZHRQLVJQLL-IAGOWNOFSA-N 1 0 374.485 2.154 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000162898931 327037555 /nfs/dbraw/zinc/03/75/55/327037555.db2.gz OSIPYXNDLHHTQI-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163773156 327058244 /nfs/dbraw/zinc/05/82/44/327058244.db2.gz OEWXUSZPBZHHQX-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000170774750 327098447 /nfs/dbraw/zinc/09/84/47/327098447.db2.gz DDFONVSGXPFIBK-UHFFFAOYSA-N 1 0 371.441 2.162 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC(C[NH+]3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000171099917 327117903 /nfs/dbraw/zinc/11/79/03/327117903.db2.gz ZCJVSKFBXSHKRI-UHFFFAOYSA-N 1 0 363.462 2.133 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000171349173 327133701 /nfs/dbraw/zinc/13/37/01/327133701.db2.gz GDRMYCWZCDOSHT-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000171565234 327145917 /nfs/dbraw/zinc/14/59/17/327145917.db2.gz KQABORMONOJSAK-UHFFFAOYSA-N 1 0 359.430 2.440 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000171708421 327156675 /nfs/dbraw/zinc/15/66/75/327156675.db2.gz OOPFYEPFZWPAOV-HNNXBMFYSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000171737919 327157993 /nfs/dbraw/zinc/15/79/93/327157993.db2.gz RLPFLZKIHSCJLW-UHFFFAOYSA-N 1 0 350.419 2.087 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000171979991 327174060 /nfs/dbraw/zinc/17/40/60/327174060.db2.gz VFWUXMJVBWVAGU-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172247011 327190147 /nfs/dbraw/zinc/19/01/47/327190147.db2.gz SMNGVCAKCNMELO-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO COc1cc(OCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000172836049 327221690 /nfs/dbraw/zinc/22/16/90/327221690.db2.gz PEJQRXXYTWJBLH-CQSZACIVSA-N 1 0 365.430 2.315 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000173259517 327244795 /nfs/dbraw/zinc/24/47/95/327244795.db2.gz YYQBTQJRTRWEFV-UKRRQHHQSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000173669865 327275549 /nfs/dbraw/zinc/27/55/49/327275549.db2.gz GPYRLWGROOCCFE-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000173815300 327286156 /nfs/dbraw/zinc/28/61/56/327286156.db2.gz MPBVEZKKLXSENX-NEPJUHHUSA-N 1 0 373.862 2.414 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173828189 327287117 /nfs/dbraw/zinc/28/71/17/327287117.db2.gz AAKBMMJSKXQFMR-UONOGXRCSA-N 1 0 353.444 2.151 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000174467368 327328620 /nfs/dbraw/zinc/32/86/20/327328620.db2.gz CTQXTRFNLBJEFS-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1OC ZINC000174537866 327333559 /nfs/dbraw/zinc/33/35/59/327333559.db2.gz JDYOUIMWEMDGCN-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174563289 327335153 /nfs/dbraw/zinc/33/51/53/327335153.db2.gz JMTKJBUELXTJJH-ZDUSSCGKSA-N 1 0 357.414 2.419 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177237560 327508548 /nfs/dbraw/zinc/50/85/48/327508548.db2.gz ZHVORLQCZQVTCN-UHFFFAOYSA-N 1 0 363.462 2.403 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1OCC(N)=O ZINC000178029337 327560174 /nfs/dbraw/zinc/56/01/74/327560174.db2.gz RFOIDNACLOLQTQ-GFCCVEGCSA-N 1 0 359.382 2.318 20 5 FEBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000261662020 328809853 /nfs/dbraw/zinc/80/98/53/328809853.db2.gz FHAFJRLYBNBSED-VIFPVBQESA-N 1 0 360.183 2.320 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261891290 328827320 /nfs/dbraw/zinc/82/73/20/328827320.db2.gz NVDHHDODOMSMAH-AWEZNQCLSA-N 1 0 361.851 2.225 20 5 FEBDRO CNC(=O)c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000264265533 329006088 /nfs/dbraw/zinc/00/60/88/329006088.db2.gz MVFJOSZACNHYCC-UHFFFAOYSA-N 1 0 362.430 2.011 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000264421230 329021156 /nfs/dbraw/zinc/02/11/56/329021156.db2.gz RBBSDBLTEBOMNY-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000264428947 329022005 /nfs/dbraw/zinc/02/20/05/329022005.db2.gz TZOZTRWBKJHKFH-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000264914974 329073930 /nfs/dbraw/zinc/07/39/30/329073930.db2.gz OIZWFCKDRFPFSX-INIZCTEOSA-N 1 0 368.865 2.250 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264942402 329076994 /nfs/dbraw/zinc/07/69/94/329076994.db2.gz WIHWGDCCJOGOKO-AWEZNQCLSA-N 1 0 374.441 2.344 20 5 FEBDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082186 329088657 /nfs/dbraw/zinc/08/86/57/329088657.db2.gz QQMRXAMFRVNYJI-GHMZBOCLSA-N 1 0 351.794 2.450 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099276 329090930 /nfs/dbraw/zinc/09/09/30/329090930.db2.gz XEBJZEZVQDSSPV-KGLIPLIRSA-N 1 0 361.446 2.180 20 5 FEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000265492306 329132616 /nfs/dbraw/zinc/13/26/16/329132616.db2.gz KUTLVPPLEVWKOX-GFCCVEGCSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000266153047 329195613 /nfs/dbraw/zinc/19/56/13/329195613.db2.gz RGBMPGDAUODFDY-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCSCC1 ZINC000266415712 329220840 /nfs/dbraw/zinc/22/08/40/329220840.db2.gz RFUANXYXCYKWJJ-UHFFFAOYSA-N 1 0 352.416 2.012 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427905 329221768 /nfs/dbraw/zinc/22/17/68/329221768.db2.gz RMRYGICSMONKMU-HNNXBMFYSA-N 1 0 357.414 2.220 20 5 FEBDRO CN(c1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000266847935 329265500 /nfs/dbraw/zinc/26/55/00/329265500.db2.gz POSOXTDBFHPFHC-HNNXBMFYSA-N 1 0 369.425 2.190 20 5 FEBDRO COC[C@](C)(CCO)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000267488665 329332513 /nfs/dbraw/zinc/33/25/13/329332513.db2.gz VXABDWBFLSOKSA-HNNXBMFYSA-N 1 0 364.345 2.082 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268125163 329388035 /nfs/dbraw/zinc/38/80/35/329388035.db2.gz CNTLZTQMNMACEB-UHFFFAOYSA-N 1 0 351.378 2.109 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270274804 329587524 /nfs/dbraw/zinc/58/75/24/329587524.db2.gz WTQURRYKCYUPKL-ZDUSSCGKSA-N 1 0 371.434 2.086 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000270968662 329650018 /nfs/dbraw/zinc/65/00/18/329650018.db2.gz ZORKVTAWNLYSLQ-UHFFFAOYSA-N 1 0 369.487 2.272 20 5 FEBDRO C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271759107 329722370 /nfs/dbraw/zinc/72/23/70/329722370.db2.gz VETODQPREHKQOL-HUUCEWRRSA-N 1 0 362.430 2.020 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272496569 329785698 /nfs/dbraw/zinc/78/56/98/329785698.db2.gz KXSHFZNTSPZJIC-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000272747888 329810099 /nfs/dbraw/zinc/81/00/99/329810099.db2.gz JJIJMMCKCFBUDX-AWEZNQCLSA-N 1 0 358.402 2.225 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000273437340 329865025 /nfs/dbraw/zinc/86/50/25/329865025.db2.gz MHPZDPCAJQHPLH-CYBMUJFWSA-N 1 0 364.423 2.212 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000275107427 330011185 /nfs/dbraw/zinc/01/11/85/330011185.db2.gz KVMSXSMBJBKPLT-GOEBONIOSA-N 1 0 365.455 2.255 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275438706 330048971 /nfs/dbraw/zinc/04/89/71/330048971.db2.gz JYQYRUNTYWHXRZ-OAHLLOKOSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000275501839 330056411 /nfs/dbraw/zinc/05/64/11/330056411.db2.gz DQJVKPFPYSHGCW-IRXDYDNUSA-N 1 0 362.430 2.403 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000276145434 330123626 /nfs/dbraw/zinc/12/36/26/330123626.db2.gz FNSFBQFYHUKBMF-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000299691502 330198700 /nfs/dbraw/zinc/19/87/00/330198700.db2.gz NVPXHWLLNSTZKR-UHFFFAOYSA-N 1 0 364.446 2.340 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2cccc(F)c2)CC1 ZINC000367141586 330221738 /nfs/dbraw/zinc/22/17/38/330221738.db2.gz QVAAEZNKFHARAA-UHFFFAOYSA-N 1 0 374.416 2.496 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426208989 330269827 /nfs/dbraw/zinc/26/98/27/330269827.db2.gz GJFRAEPUGISXGE-GDBMZVCRSA-N 1 0 351.403 2.167 20 5 FEBDRO CN1CCN(C(=O)CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000433173052 330274520 /nfs/dbraw/zinc/27/45/20/330274520.db2.gz IVAHNYGNYBIJBU-KRWDZBQOSA-N 1 0 360.458 2.071 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000156000249 545590745 /nfs/dbraw/zinc/59/07/45/545590745.db2.gz RLNDTVULDCYLCF-SUMWQHHRSA-N 1 0 372.425 2.009 20 5 FEBDRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157673039 545768275 /nfs/dbraw/zinc/76/82/75/545768275.db2.gz RWFQJAALCIAKEG-INIZCTEOSA-N 1 0 365.430 2.359 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158409809 545858117 /nfs/dbraw/zinc/85/81/17/545858117.db2.gz XRRMBDAWBHYCCS-QFIPXVFZSA-N 1 0 361.445 2.367 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)nc2)CC1 ZINC000478319332 561164196 /nfs/dbraw/zinc/16/41/96/561164196.db2.gz ZRULGWKKOCPORM-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO CC(C)(CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000478417038 561166416 /nfs/dbraw/zinc/16/64/16/561166416.db2.gz MCXVQZPYYZMMSV-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000478480578 561167992 /nfs/dbraw/zinc/16/79/92/561167992.db2.gz YCOBNHGASCTYOL-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1C ZINC000160150511 546012011 /nfs/dbraw/zinc/01/20/11/546012011.db2.gz XVSLVPDNAZRVRG-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000160707520 546064711 /nfs/dbraw/zinc/06/47/11/546064711.db2.gz FBBJIEFKMLZJRG-IRXDYDNUSA-N 1 0 365.405 2.232 20 5 FEBDRO C[C@H]1CCCN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000479875604 561198450 /nfs/dbraw/zinc/19/84/50/561198450.db2.gz RSGUIBKVUVRAMI-CWRNSKLLSA-N 1 0 358.442 2.123 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000479878839 561198639 /nfs/dbraw/zinc/19/86/39/561198639.db2.gz DGSVBVBHDIUILU-UHFFFAOYSA-N 1 0 360.414 2.329 20 5 FEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000176045802 546395679 /nfs/dbraw/zinc/39/56/79/546395679.db2.gz YOZLZRQKNUKGPC-UHFFFAOYSA-N 1 0 371.397 2.077 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183391 546417190 /nfs/dbraw/zinc/41/71/90/546417190.db2.gz DUUBKWQFYHCVPG-ZBFHGGJFSA-N 1 0 364.446 2.374 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000177108975 546546516 /nfs/dbraw/zinc/54/65/16/546546516.db2.gz CBJZASVUXPUTTL-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000177447581 546620196 /nfs/dbraw/zinc/62/01/96/546620196.db2.gz KYULAVRWZZRKMH-HUUCEWRRSA-N 1 0 357.414 2.383 20 5 FEBDRO CCOc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000481191307 561227647 /nfs/dbraw/zinc/22/76/47/561227647.db2.gz MOBUEYWCHXMDFO-INIZCTEOSA-N 1 0 353.444 2.161 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000178382083 546784331 /nfs/dbraw/zinc/78/43/31/546784331.db2.gz PWWAVRUBSSOGIY-CJNGLKHVSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000178583834 546815073 /nfs/dbraw/zinc/81/50/73/546815073.db2.gz ASANSRSOQZIJPX-SOUVJXGZSA-N 1 0 360.458 2.498 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccccc1 ZINC000180199408 547066898 /nfs/dbraw/zinc/06/68/98/547066898.db2.gz OIEPXMZXWMXQOR-PBHICJAKSA-N 1 0 358.373 2.491 20 5 FEBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+]1CCc2ccccc2C1 ZINC000180549001 547128503 /nfs/dbraw/zinc/12/85/03/547128503.db2.gz ZXZZKXKGZHIPIQ-UHFFFAOYSA-N 1 0 369.425 2.139 20 5 FEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180561289 547130310 /nfs/dbraw/zinc/13/03/10/547130310.db2.gz FXEVQPLXEXLDBS-LBPRGKRZSA-N 1 0 357.414 2.431 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180752324 547172817 /nfs/dbraw/zinc/17/28/17/547172817.db2.gz CAFAZHMENQRYRW-MRXNPFEDSA-N 1 0 368.437 2.471 20 5 FEBDRO CNC(=O)C[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000483411502 561276501 /nfs/dbraw/zinc/27/65/01/561276501.db2.gz ABDXGZAQDVBNKM-INIZCTEOSA-N 1 0 373.409 2.449 20 5 FEBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181667416 547356554 /nfs/dbraw/zinc/35/65/54/547356554.db2.gz FODUVPIKWNQGGI-SJORKVTESA-N 1 0 350.394 2.148 20 5 FEBDRO NC(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182022296 547423183 /nfs/dbraw/zinc/42/31/83/547423183.db2.gz YNZXRSSPXJUPGG-INIZCTEOSA-N 1 0 362.430 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182035235 547426611 /nfs/dbraw/zinc/42/66/11/547426611.db2.gz DAPNZQNSGDXTAY-INIZCTEOSA-N 1 0 362.430 2.256 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182822661 547558021 /nfs/dbraw/zinc/55/80/21/547558021.db2.gz VBLOREBDECSFHG-LLVKDONJSA-N 1 0 358.324 2.344 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000183206960 547621167 /nfs/dbraw/zinc/62/11/67/547621167.db2.gz BBMQJDLHBBPKCH-UHFFFAOYSA-N 1 0 355.398 2.098 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183567647 547682258 /nfs/dbraw/zinc/68/22/58/547682258.db2.gz SBADKYXGSGFNMQ-HIFRSBDPSA-N 1 0 370.413 2.417 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000484635726 561301795 /nfs/dbraw/zinc/30/17/95/561301795.db2.gz DXHOAXZHPKKUIL-HZPDHXFCSA-N 1 0 351.403 2.015 20 5 FEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000183911770 547739195 /nfs/dbraw/zinc/73/91/95/547739195.db2.gz RRFUUWDKYCAXGG-HNNXBMFYSA-N 1 0 359.430 2.215 20 5 FEBDRO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184174494 547781448 /nfs/dbraw/zinc/78/14/48/547781448.db2.gz FIPQEGNOAZADOS-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184309770 547805884 /nfs/dbraw/zinc/80/58/84/547805884.db2.gz MLNFASZCAFSUTC-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000185299104 547966414 /nfs/dbraw/zinc/96/64/14/547966414.db2.gz YYRUWFTUFOVXKQ-ZIAGYGMSSA-N 1 0 365.405 2.018 20 5 FEBDRO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1Cc1ccccc1 ZINC000185349688 547973592 /nfs/dbraw/zinc/97/35/92/547973592.db2.gz QOBFBDJQFYCFKH-KRWDZBQOSA-N 1 0 371.441 2.223 20 5 FEBDRO CSc1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000485500223 561320553 /nfs/dbraw/zinc/32/05/53/561320553.db2.gz XTJGVRBRONLNIB-WCQYABFASA-N 1 0 355.485 2.434 20 5 FEBDRO COc1cccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000185632048 548012252 /nfs/dbraw/zinc/01/22/52/548012252.db2.gz DBDAFFHDVJKRPA-XYPWUTKMSA-N 1 0 360.458 2.351 20 5 FEBDRO C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713723 548024474 /nfs/dbraw/zinc/02/44/74/548024474.db2.gz CGMHOIPNDCUPHO-XJKSGUPXSA-N 1 0 360.458 2.436 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000186780456 548191168 /nfs/dbraw/zinc/19/11/68/548191168.db2.gz TUAVIPUMZOGKRK-OAHLLOKOSA-N 1 0 369.487 2.321 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186901734 548215670 /nfs/dbraw/zinc/21/56/70/548215670.db2.gz QRFOLCOWLDVHAO-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000187005274 548239248 /nfs/dbraw/zinc/23/92/48/548239248.db2.gz WYLUDIAVGIOMKM-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)[NH+](C)C ZINC000193099457 548379884 /nfs/dbraw/zinc/37/98/84/548379884.db2.gz QRZUCXLNTYJPIO-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000194378143 548473053 /nfs/dbraw/zinc/47/30/53/548473053.db2.gz JKBYZZQOZTVKAA-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO CC1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)OCCO1 ZINC000194626967 548507758 /nfs/dbraw/zinc/50/77/58/548507758.db2.gz HSJGKNMJWQIDAZ-CYBMUJFWSA-N 1 0 351.359 2.478 20 5 FEBDRO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000195111896 548578115 /nfs/dbraw/zinc/57/81/15/548578115.db2.gz YBSIPCSVLVFDBD-LJQANCHMSA-N 1 0 366.421 2.130 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000486883928 561358932 /nfs/dbraw/zinc/35/89/32/561358932.db2.gz KIAHDQVILSARFU-LBPRGKRZSA-N 1 0 364.402 2.153 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891642 561359005 /nfs/dbraw/zinc/35/90/05/561359005.db2.gz DCRSIQIDBSZXLH-NWDGAFQWSA-N 1 0 364.402 2.246 20 5 FEBDRO CC[C@@H]1CN(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000487181553 561365517 /nfs/dbraw/zinc/36/55/17/561365517.db2.gz ABDAGANYLHCGAC-GOSISDBHSA-N 1 0 373.457 2.196 20 5 FEBDRO CC[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000236946712 548789542 /nfs/dbraw/zinc/78/95/42/548789542.db2.gz FSYUMXIUUJTXDL-KGLIPLIRSA-N 1 0 355.460 2.432 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2scnc2C2CC2)cc1 ZINC000487545925 561371723 /nfs/dbraw/zinc/37/17/23/561371723.db2.gz CELGADOHCQEQSQ-UHFFFAOYSA-N 1 0 367.452 2.492 20 5 FEBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236975171 548791530 /nfs/dbraw/zinc/79/15/30/548791530.db2.gz UXSXMQOBJANZNR-ZDUSSCGKSA-N 1 0 359.430 2.390 20 5 FEBDRO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[NH2+]1 ZINC000237612054 548838661 /nfs/dbraw/zinc/83/86/61/548838661.db2.gz HRORCGJEXGWNDA-UWVGGRQHSA-N 1 0 356.220 2.109 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000237803622 548854162 /nfs/dbraw/zinc/85/41/62/548854162.db2.gz NSONPPYQSMTLHS-QGZVFWFLSA-N 1 0 357.414 2.418 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487983017 561380683 /nfs/dbraw/zinc/38/06/83/561380683.db2.gz TYNNQPWFCMLIAS-UWWQBHOKSA-N 1 0 352.431 2.472 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000246399356 549124455 /nfs/dbraw/zinc/12/44/55/549124455.db2.gz QHZIFJVIEYKWKT-YLJYHZDGSA-N 1 0 372.421 2.316 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246430681 549130860 /nfs/dbraw/zinc/13/08/60/549130860.db2.gz AZBMWQGLQFFYJX-ZENOOKHLSA-N 1 0 363.414 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246460137 549137848 /nfs/dbraw/zinc/13/78/48/549137848.db2.gz JDXYOXVWOWMLEP-ZOWXZIJZSA-N 1 0 351.403 2.023 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246865594 549231520 /nfs/dbraw/zinc/23/15/20/549231520.db2.gz WEDGPBWCULNXSF-XJKSGUPXSA-N 1 0 355.460 2.087 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000247261749 549308133 /nfs/dbraw/zinc/30/81/33/549308133.db2.gz QMGYDZRUBOTKSB-CXAGYDPISA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000247634131 549367003 /nfs/dbraw/zinc/36/70/03/549367003.db2.gz TYLAHUYKCMSXAD-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458629 549443964 /nfs/dbraw/zinc/44/39/64/549443964.db2.gz NCJQHAJSCSQYQG-IEBWSBKVSA-N 1 0 371.437 2.323 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248477987 549447568 /nfs/dbraw/zinc/44/75/68/549447568.db2.gz PDWYXOYUEFJHDI-WFASDCNBSA-N 1 0 371.434 2.147 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248581889 549462022 /nfs/dbraw/zinc/46/20/22/549462022.db2.gz OXFMSOYKXDTIEB-UKRRQHHQSA-N 1 0 367.421 2.310 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248581886 549462573 /nfs/dbraw/zinc/46/25/73/549462573.db2.gz OXFMSOYKXDTIEB-HIFRSBDPSA-N 1 0 367.421 2.310 20 5 FEBDRO CC[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000248625373 549470315 /nfs/dbraw/zinc/47/03/15/549470315.db2.gz NXZMEARWNJLAIK-VBQJREDUSA-N 1 0 364.446 2.142 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249006049 549539123 /nfs/dbraw/zinc/53/91/23/549539123.db2.gz JAWPYTGLTIEWOB-ZIAGYGMSSA-N 1 0 355.460 2.172 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000250110075 549637178 /nfs/dbraw/zinc/63/71/78/549637178.db2.gz KALDQPUGGRSXPR-ZIAGYGMSSA-N 1 0 365.430 2.219 20 5 FEBDRO C[C@@H]1SCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000252480400 549666270 /nfs/dbraw/zinc/66/62/70/549666270.db2.gz AIUQNMWDVLXJOP-XKQJLSEDSA-N 1 0 362.455 2.331 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000261876703 549765363 /nfs/dbraw/zinc/76/53/63/549765363.db2.gz SWYDACGLFXYFAX-DTWKUNHWSA-N 1 0 359.329 2.014 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261931204 549771050 /nfs/dbraw/zinc/77/10/50/549771050.db2.gz JPZNAPGYIJDHLH-JEBQAFNWSA-N 1 0 354.410 2.349 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000490425986 561432859 /nfs/dbraw/zinc/43/28/59/561432859.db2.gz NETGRRVEEMTBMT-AWEZNQCLSA-N 1 0 367.471 2.231 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000263871179 549949113 /nfs/dbraw/zinc/94/91/13/549949113.db2.gz ZWYFTJULXVDXQE-HNNXBMFYSA-N 1 0 361.398 2.082 20 5 FEBDRO COc1cc(C[N@H+](C)C2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000492910910 561453514 /nfs/dbraw/zinc/45/35/14/561453514.db2.gz JGKYLWDAOCTFHM-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493657312 561457529 /nfs/dbraw/zinc/45/75/29/561457529.db2.gz MOTRQHYOHALNKO-WBVHZDCISA-N 1 0 351.403 2.073 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000270718697 550299930 /nfs/dbraw/zinc/29/99/30/550299930.db2.gz FALZOPSEUIBGDD-OAHLLOKOSA-N 1 0 369.425 2.481 20 5 FEBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859340 550314612 /nfs/dbraw/zinc/31/46/12/550314612.db2.gz ZORJQXFFFDTDLJ-MRXNPFEDSA-N 1 0 371.441 2.313 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870966 550315802 /nfs/dbraw/zinc/31/58/02/550315802.db2.gz OCJPTJYNRXBODF-MJGOQNOKSA-N 1 0 369.421 2.208 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000272298049 550435702 /nfs/dbraw/zinc/43/57/02/550435702.db2.gz IGKVPHSMDTUHOV-ZIAGYGMSSA-N 1 0 355.460 2.225 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272337015 550438729 /nfs/dbraw/zinc/43/87/29/550438729.db2.gz MNWLPSLDXIUANN-AWEZNQCLSA-N 1 0 359.373 2.160 20 5 FEBDRO COc1cc(C[NH2+]CCn2ccnc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272448093 550448892 /nfs/dbraw/zinc/44/88/92/550448892.db2.gz PILGKKVDOCXNHY-UHFFFAOYSA-N 1 0 356.329 2.234 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273402793 550497373 /nfs/dbraw/zinc/49/73/73/550497373.db2.gz PGZLXYINFZJWFB-SQWLQELKSA-N 1 0 352.431 2.063 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273508213 550501084 /nfs/dbraw/zinc/50/10/84/550501084.db2.gz KXUDLAGROVKJKG-GFCCVEGCSA-N 1 0 373.450 2.393 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000273520878 550501456 /nfs/dbraw/zinc/50/14/56/550501456.db2.gz OCPNAWAYMPZDGY-NSHDSACASA-N 1 0 359.423 2.085 20 5 FEBDRO Cc1nn(C)c(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)c1[N+](=O)[O-] ZINC000273869385 550514200 /nfs/dbraw/zinc/51/42/00/550514200.db2.gz MXTSDSMCXVPKGJ-UHFFFAOYSA-N 1 0 372.385 2.294 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000274211455 550527824 /nfs/dbraw/zinc/52/78/24/550527824.db2.gz AWGQOUJDRQYORS-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1cc(C[NH2+]C[C@](C)(O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494635528 561472903 /nfs/dbraw/zinc/47/29/03/561472903.db2.gz UQJAYUGNCFEQIC-INIZCTEOSA-N 1 0 360.357 2.498 20 5 FEBDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814536 550556926 /nfs/dbraw/zinc/55/69/26/550556926.db2.gz IPFGBPNXOPWOHO-QFBILLFUSA-N 1 0 370.453 2.257 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000276688656 550585390 /nfs/dbraw/zinc/58/53/90/550585390.db2.gz JUVVHVBOFBIZSN-HNNXBMFYSA-N 1 0 364.373 2.444 20 5 FEBDRO CCNC(=O)C1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000277279217 550651191 /nfs/dbraw/zinc/65/11/91/550651191.db2.gz QLAWULVJIUIBIA-CYBMUJFWSA-N 1 0 362.430 2.208 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277492543 550676817 /nfs/dbraw/zinc/67/68/17/550676817.db2.gz NVFUBVHTAWGPNW-HNNXBMFYSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277495106 550677211 /nfs/dbraw/zinc/67/72/11/550677211.db2.gz AICUXVWGLZBOTF-YOEHRIQHSA-N 1 0 367.409 2.397 20 5 FEBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000277605931 550690842 /nfs/dbraw/zinc/69/08/42/550690842.db2.gz AMGHIXGOECROGK-CHWSQXEVSA-N 1 0 374.445 2.391 20 5 FEBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCCC1 ZINC000277698979 550703303 /nfs/dbraw/zinc/70/33/03/550703303.db2.gz HMMAZQYMWZJOMS-CYBMUJFWSA-N 1 0 374.445 2.392 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278213126 550761402 /nfs/dbraw/zinc/76/14/02/550761402.db2.gz SYOHXXAQFNHIRB-UHFFFAOYSA-N 1 0 355.822 2.351 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000278334496 550774363 /nfs/dbraw/zinc/77/43/63/550774363.db2.gz WPHUDEKRVCXLMO-IUCAKERBSA-N 1 0 359.329 2.075 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)CC1 ZINC000278438391 550786125 /nfs/dbraw/zinc/78/61/25/550786125.db2.gz QJDZXZISXQRKME-GFCCVEGCSA-N 1 0 373.379 2.225 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000278572156 550800515 /nfs/dbraw/zinc/80/05/15/550800515.db2.gz NRIQKUJPFPTCGI-UONOGXRCSA-N 1 0 350.419 2.130 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278825192 550826271 /nfs/dbraw/zinc/82/62/71/550826271.db2.gz ZVAZSSCYXBFECA-UHFFFAOYSA-N 1 0 360.418 2.097 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000278846324 550828463 /nfs/dbraw/zinc/82/84/63/550828463.db2.gz WFTALSPGUQSRBX-ZDUSSCGKSA-N 1 0 355.822 2.133 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@](C)(OC)C1 ZINC000279236775 550868047 /nfs/dbraw/zinc/86/80/47/550868047.db2.gz FKVJHQLOIGQWRG-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000279266679 550871761 /nfs/dbraw/zinc/87/17/61/550871761.db2.gz MVYZZGSPHZUEAF-DTTOXWODSA-N 1 0 362.426 2.272 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279510412 550898353 /nfs/dbraw/zinc/89/83/53/550898353.db2.gz UGEUCDJZQCWQOA-UHFFFAOYSA-N 1 0 350.350 2.113 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279852354 550936237 /nfs/dbraw/zinc/93/62/37/550936237.db2.gz BCFXQMUOIWTRET-QGZVFWFLSA-N 1 0 351.403 2.169 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280610967 551013237 /nfs/dbraw/zinc/01/32/37/551013237.db2.gz PJNUCEQLCCOJSE-IYBDPMFKSA-N 1 0 366.421 2.381 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658512 551018577 /nfs/dbraw/zinc/01/85/77/551018577.db2.gz DSUJMWUPJQAXSG-PIGZYNQJSA-N 1 0 359.386 2.164 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000280950275 551048680 /nfs/dbraw/zinc/04/86/80/551048680.db2.gz GHJKXQLOQQFTNL-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000281910468 551156911 /nfs/dbraw/zinc/15/69/11/551156911.db2.gz CEEJDCNMCJMVQK-DOTOQJQBSA-N 1 0 350.415 2.273 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506754 551239192 /nfs/dbraw/zinc/23/91/92/551239192.db2.gz ROCLMOAQJKZRIH-VZEFYGNVSA-N 1 0 364.398 2.157 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282752709 551266895 /nfs/dbraw/zinc/26/68/95/551266895.db2.gz BIAMYBLECZVHPO-LBPRGKRZSA-N 1 0 351.794 2.312 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282890378 551282138 /nfs/dbraw/zinc/28/21/38/551282138.db2.gz WDEVIOAXSBKTJJ-BXUZGUMPSA-N 1 0 371.397 2.497 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000282966427 551290722 /nfs/dbraw/zinc/29/07/22/551290722.db2.gz ONVDBBCVJYMVDK-LBPRGKRZSA-N 1 0 351.794 2.014 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750848 551421593 /nfs/dbraw/zinc/42/15/93/551421593.db2.gz OMRQUYQNTPJFLX-IINYFYTJSA-N 1 0 350.394 2.012 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000283828607 551434066 /nfs/dbraw/zinc/43/40/66/551434066.db2.gz GAZVZZWOUGOTDK-LBPRGKRZSA-N 1 0 350.394 2.407 20 5 FEBDRO CN1CCO[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000283950553 551455888 /nfs/dbraw/zinc/45/58/88/551455888.db2.gz AOKXOEKFDOIOCC-IRXDYDNUSA-N 1 0 372.425 2.197 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284324974 551524211 /nfs/dbraw/zinc/52/42/11/551524211.db2.gz PYKNKUTYEULVOS-UWVAXJGDSA-N 1 0 371.437 2.370 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000498557992 561528486 /nfs/dbraw/zinc/52/84/86/561528486.db2.gz XNPZQASJBBJRIP-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285185560 551717374 /nfs/dbraw/zinc/71/73/74/551717374.db2.gz NHBUCIXPDYDAPS-UHFFFAOYSA-N 1 0 361.427 2.162 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000285372753 551745323 /nfs/dbraw/zinc/74/53/23/551745323.db2.gz CBQIRALDDWDPOW-UHFFFAOYSA-N 1 0 369.437 2.293 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000285473570 551761953 /nfs/dbraw/zinc/76/19/53/551761953.db2.gz OAPGDXBDGZJVCF-NCXUSEDFSA-N 1 0 356.426 2.420 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000285860931 551820023 /nfs/dbraw/zinc/82/00/23/551820023.db2.gz PRVNSDJKDBCAOX-OYEVUCPFSA-N 1 0 359.426 2.320 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000286188758 551859042 /nfs/dbraw/zinc/85/90/42/551859042.db2.gz AJAIUWMRIWNRBX-UHFFFAOYSA-N 1 0 351.447 2.467 20 5 FEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286573155 551901563 /nfs/dbraw/zinc/90/15/63/551901563.db2.gz URAAAEXLBLGCPY-AWEZNQCLSA-N 1 0 365.430 2.363 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000286930717 551941482 /nfs/dbraw/zinc/94/14/82/551941482.db2.gz NIYJMTWLDKDXNC-CJNGLKHVSA-N 1 0 362.430 2.101 20 5 FEBDRO CCC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000499653429 561555331 /nfs/dbraw/zinc/55/53/31/561555331.db2.gz AOQKLJONKPAZEG-GFCCVEGCSA-N 1 0 353.448 2.241 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384541 552144612 /nfs/dbraw/zinc/14/46/12/552144612.db2.gz LYRMHICTUHBITL-QWHCGFSZSA-N 1 0 361.398 2.065 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532948 552170620 /nfs/dbraw/zinc/17/06/20/552170620.db2.gz URJIACKHZBDKCK-RDTXWAMCSA-N 1 0 369.425 2.479 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000288806690 552215815 /nfs/dbraw/zinc/21/58/15/552215815.db2.gz HEUOVMGZKFYSES-UHFFFAOYSA-N 1 0 374.445 2.023 20 5 FEBDRO Cc1cccnc1OC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000289411653 552316698 /nfs/dbraw/zinc/31/66/98/552316698.db2.gz PMIVOUKYJVEYMJ-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO CO[C@@H](C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289490762 552330143 /nfs/dbraw/zinc/33/01/43/552330143.db2.gz KXFKSNSBDDTQPM-QMMMGPOBSA-N 1 0 350.156 2.324 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(CN2CC[C@@H](CO)C2)c1 ZINC000289689663 552362382 /nfs/dbraw/zinc/36/23/82/552362382.db2.gz DTXJEZWGASIYMI-SECBINFHSA-N 1 0 362.167 2.014 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000289868887 552392092 /nfs/dbraw/zinc/39/20/92/552392092.db2.gz RDVXWFQENNUMSN-XKQJLSEDSA-N 1 0 350.415 2.224 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290019090 552415019 /nfs/dbraw/zinc/41/50/19/552415019.db2.gz VADFXRIDQKEPSQ-ZIAGYGMSSA-N 1 0 366.805 2.131 20 5 FEBDRO Cc1c(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290101909 552427750 /nfs/dbraw/zinc/42/77/50/552427750.db2.gz JZJMXXHLFUBGGA-ZDUSSCGKSA-N 1 0 362.386 2.273 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000290458017 552482042 /nfs/dbraw/zinc/48/20/42/552482042.db2.gz KECXXFSUOIBOAF-MZBDJJRSSA-N 1 0 374.441 2.179 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000500868772 561584805 /nfs/dbraw/zinc/58/48/05/561584805.db2.gz ZEHHXOAHBLUVRU-XJKSGUPXSA-N 1 0 357.414 2.051 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000290616697 552507510 /nfs/dbraw/zinc/50/75/10/552507510.db2.gz KQEOQLABUZIUCW-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000290637960 552511063 /nfs/dbraw/zinc/51/10/63/552511063.db2.gz NHFADMKBCBSRBP-UHFFFAOYSA-N 1 0 369.425 2.190 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290740124 552529474 /nfs/dbraw/zinc/52/94/74/552529474.db2.gz YSUFRHNFIYABKX-OAHLLOKOSA-N 1 0 363.393 2.048 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000290828614 552545267 /nfs/dbraw/zinc/54/52/67/552545267.db2.gz PICLVINSYCYTKM-UHFFFAOYSA-N 1 0 362.430 2.086 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000501239877 561592935 /nfs/dbraw/zinc/59/29/35/561592935.db2.gz LMHXSMKKUKZZBO-UHFFFAOYSA-N 1 0 365.478 2.460 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000292281110 552712119 /nfs/dbraw/zinc/71/21/19/552712119.db2.gz QVLGEQGQMBEZCS-MRXNPFEDSA-N 1 0 371.441 2.360 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC1)OCCCO2 ZINC000293009851 552780147 /nfs/dbraw/zinc/78/01/47/552780147.db2.gz NVWVRQCYSCMSTB-UHFFFAOYSA-N 1 0 363.414 2.461 20 5 FEBDRO CC1CC[NH+](CCN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000293088651 552787490 /nfs/dbraw/zinc/78/74/90/552787490.db2.gz KDOXCBBRBHOKLI-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+](C2CCC2)C1 ZINC000293622135 552841197 /nfs/dbraw/zinc/84/11/97/552841197.db2.gz FSUNXXZNVGFRDF-LLVKDONJSA-N 1 0 350.394 2.263 20 5 FEBDRO COc1ccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000293681122 552846767 /nfs/dbraw/zinc/84/67/67/552846767.db2.gz KIJOXFBDVMMAPS-UHFFFAOYSA-N 1 0 356.444 2.296 20 5 FEBDRO COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293742607 552851886 /nfs/dbraw/zinc/85/18/86/552851886.db2.gz NQMLBEPSSFUJCC-GFCCVEGCSA-N 1 0 358.398 2.266 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294557093 552915679 /nfs/dbraw/zinc/91/56/79/552915679.db2.gz KQXPQFXDIIKJSK-UHFFFAOYSA-N 1 0 357.414 2.399 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294607833 552920193 /nfs/dbraw/zinc/92/01/93/552920193.db2.gz MRCRVQGUQDHRCU-NSHDSACASA-N 1 0 361.320 2.064 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000294950901 552946725 /nfs/dbraw/zinc/94/67/25/552946725.db2.gz AVICQESZCIKWCA-YVEFUNNKSA-N 1 0 364.423 2.383 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000502416569 561617885 /nfs/dbraw/zinc/61/78/85/561617885.db2.gz KPUWUTGOBFTAMY-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098094 553104204 /nfs/dbraw/zinc/10/42/04/553104204.db2.gz HTNHMOHJNZOZDY-HOTGVXAUSA-N 1 0 363.414 2.479 20 5 FEBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2cccc3c2OCCO3)CC1 ZINC000296166011 553115397 /nfs/dbraw/zinc/11/53/97/553115397.db2.gz YMUUZMVVJRRINI-UHFFFAOYSA-N 1 0 356.382 2.083 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC[N@@H+]1C[C@H](C)O ZINC000296733057 553204472 /nfs/dbraw/zinc/20/44/72/553204472.db2.gz MSTAJLKYXPLZKQ-STQMWFEESA-N 1 0 368.409 2.351 20 5 FEBDRO Nc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000297232105 553267098 /nfs/dbraw/zinc/26/70/98/553267098.db2.gz PAXUSCKAFWVMFN-DZGCQCFKSA-N 1 0 358.373 2.273 20 5 FEBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000297379754 553285065 /nfs/dbraw/zinc/28/50/65/553285065.db2.gz MTXBQTMEPHOCPC-MRVPVSSYSA-N 1 0 360.183 2.307 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000297941944 553360271 /nfs/dbraw/zinc/36/02/71/553360271.db2.gz AJBBCFACBVKEAC-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298002996 553369492 /nfs/dbraw/zinc/36/94/92/553369492.db2.gz YCKUKSMDLGZIJK-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000298020947 553372494 /nfs/dbraw/zinc/37/24/94/553372494.db2.gz AEIYFPMVGNGMQU-UHFFFAOYSA-N 1 0 362.430 2.094 20 5 FEBDRO CCOC(=O)CCCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298036455 553374962 /nfs/dbraw/zinc/37/49/62/553374962.db2.gz GSJWEUBIZKYIEJ-UHFFFAOYSA-N 1 0 350.419 2.235 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298171190 553393369 /nfs/dbraw/zinc/39/33/69/553393369.db2.gz QLQSTCJDBUGDKM-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1CC[NH+](C2CCC2)CC1 ZINC000298186348 553395456 /nfs/dbraw/zinc/39/54/56/553395456.db2.gz DOJABYWOBWSNDB-UHFFFAOYSA-N 1 0 372.429 2.287 20 5 FEBDRO C[C@@H]1C[C@@]1([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000503382530 561640355 /nfs/dbraw/zinc/64/03/55/561640355.db2.gz IMKPTDPHNKTRII-RLCCDNCMSA-N 1 0 350.806 2.331 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298368600 553417489 /nfs/dbraw/zinc/41/74/89/553417489.db2.gz CRSBPZTZSDSBSO-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000298784444 553472415 /nfs/dbraw/zinc/47/24/15/553472415.db2.gz NQUMXRHBEJGLAY-UHFFFAOYSA-N 1 0 354.410 2.406 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000299252084 553536900 /nfs/dbraw/zinc/53/69/00/553536900.db2.gz KTSXWINWOLMUKT-LLVKDONJSA-N 1 0 368.821 2.129 20 5 FEBDRO COc1cc(C(=O)NCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000299264881 553539586 /nfs/dbraw/zinc/53/95/86/553539586.db2.gz FBHLFGRMTRVWHG-UHFFFAOYSA-N 1 0 359.329 2.029 20 5 FEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000504010282 561651856 /nfs/dbraw/zinc/65/18/56/561651856.db2.gz UVAMKFLZXITXCX-UHFFFAOYSA-N 1 0 357.476 2.475 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299385627 553556307 /nfs/dbraw/zinc/55/63/07/553556307.db2.gz PMQWUNBWNBIHRJ-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299431867 553562105 /nfs/dbraw/zinc/56/21/05/553562105.db2.gz LVXOOWZVYMOENS-FUHWJXTLSA-N 1 0 369.425 2.324 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000299446230 553564423 /nfs/dbraw/zinc/56/44/23/553564423.db2.gz YSLARNJSLWDUDI-GOEBONIOSA-N 1 0 374.441 2.093 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000299515900 553574321 /nfs/dbraw/zinc/57/43/21/553574321.db2.gz COONPYMJWXXOKR-HNNXBMFYSA-N 1 0 353.419 2.271 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000299573519 553583400 /nfs/dbraw/zinc/58/34/00/553583400.db2.gz CCCOKJLYNNRXEG-UHFFFAOYSA-N 1 0 373.356 2.373 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000504674024 561661154 /nfs/dbraw/zinc/66/11/54/561661154.db2.gz UHRKMKDWGMJQPF-GOSISDBHSA-N 1 0 371.437 2.151 20 5 FEBDRO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301367343 553645518 /nfs/dbraw/zinc/64/55/18/553645518.db2.gz RKDLJXBFYXWWFD-USXIJHARSA-N 1 0 370.453 2.408 20 5 FEBDRO CC[NH+]1CCN(c2cc(CNc3ncc(C)cc3[N+](=O)[O-])ccn2)CC1 ZINC000301440724 553651801 /nfs/dbraw/zinc/65/18/01/553651801.db2.gz MEGDVJZVDLFMMD-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO COc1ccccc1[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[NH+](C)C ZINC000301832033 553683348 /nfs/dbraw/zinc/68/33/48/553683348.db2.gz ITOOWVCLMLRCLF-ZDUSSCGKSA-N 1 0 356.386 2.361 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301975627 553695880 /nfs/dbraw/zinc/69/58/80/553695880.db2.gz VWBPQGZKDMMORI-CQSZACIVSA-N 1 0 352.822 2.167 20 5 FEBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000302066089 553701585 /nfs/dbraw/zinc/70/15/85/553701585.db2.gz AVERWQANOGQMAP-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO CCc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302452642 553717541 /nfs/dbraw/zinc/71/75/41/553717541.db2.gz SNANYPRMKBOIGT-AWEZNQCLSA-N 1 0 371.441 2.117 20 5 FEBDRO COc1ccc(CSCC(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000505448123 561671211 /nfs/dbraw/zinc/67/12/11/561671211.db2.gz UZQMTUZWNLBJEB-UHFFFAOYSA-N 1 0 367.471 2.295 20 5 FEBDRO COCCN1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000302773764 553732249 /nfs/dbraw/zinc/73/22/49/553732249.db2.gz NUUQZXGEMGMVCM-UHFFFAOYSA-N 1 0 358.398 2.137 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000312610992 553756319 /nfs/dbraw/zinc/75/63/19/553756319.db2.gz GTXJHRZHCOXKNT-HNNXBMFYSA-N 1 0 369.425 2.214 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000327959315 553792492 /nfs/dbraw/zinc/79/24/92/553792492.db2.gz UGMRHBORHFJJSI-UHFFFAOYSA-N 1 0 373.450 2.475 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421193 554119838 /nfs/dbraw/zinc/11/98/38/554119838.db2.gz QCMJWOMEOJELSS-KBPBESRZSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330431552 554121263 /nfs/dbraw/zinc/12/12/63/554121263.db2.gz JPOJODOCFOVBHK-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485277 554128038 /nfs/dbraw/zinc/12/80/38/554128038.db2.gz ARYCKTHKMACXOH-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1SC ZINC000330629857 554148254 /nfs/dbraw/zinc/14/82/54/554148254.db2.gz BUQUNCVEJZGHNY-LLVKDONJSA-N 1 0 353.444 2.492 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000330879786 554182282 /nfs/dbraw/zinc/18/22/82/554182282.db2.gz AYPLQHKYWMNOBO-KGLIPLIRSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000331060740 554207818 /nfs/dbraw/zinc/20/78/18/554207818.db2.gz UAFUTAOBKZOEJS-UHFFFAOYSA-N 1 0 371.441 2.280 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000331176494 554226028 /nfs/dbraw/zinc/22/60/28/554226028.db2.gz KEUMPOSVASZSPY-RCBQFDQVSA-N 1 0 355.460 2.414 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2cccc([N+](=O)[O-])c2)C1 ZINC000509081987 561784162 /nfs/dbraw/zinc/78/41/62/561784162.db2.gz LBPKLDRQMJEVBC-OAHLLOKOSA-N 1 0 367.471 2.160 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000331855526 554331862 /nfs/dbraw/zinc/33/18/62/554331862.db2.gz DPMSHPIURBFISL-HOCLYGCPSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000332077936 554375224 /nfs/dbraw/zinc/37/52/24/554375224.db2.gz XULHKWOVSGONAS-UHFFFAOYSA-N 1 0 360.458 2.289 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081028 554375813 /nfs/dbraw/zinc/37/58/13/554375813.db2.gz LAVNPDNHABXLIH-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cccc1[N+](=O)[O-] ZINC000332084191 554376973 /nfs/dbraw/zinc/37/69/73/554376973.db2.gz PLYMQBFGQYXBIB-CABCVRRESA-N 1 0 365.455 2.255 20 5 FEBDRO C[NH+](C)CC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000332226066 554405000 /nfs/dbraw/zinc/40/50/00/554405000.db2.gz NYWLCIDKSZCLJW-UHFFFAOYSA-N 1 0 358.398 2.262 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000332316751 554423940 /nfs/dbraw/zinc/42/39/40/554423940.db2.gz YRBWYCZAVOSLRG-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000509941984 561819322 /nfs/dbraw/zinc/81/93/22/561819322.db2.gz HZUXXYVCJGQRGL-AWEZNQCLSA-N 1 0 374.397 2.047 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000332436585 554445951 /nfs/dbraw/zinc/44/59/51/554445951.db2.gz YMZDLXVLHGPANP-IUODEOHRSA-N 1 0 353.444 2.323 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1[N+](=O)[O-] ZINC000510521590 561837509 /nfs/dbraw/zinc/83/75/09/561837509.db2.gz IPDWYZNTNUPHBL-DOMZBBRYSA-N 1 0 359.430 2.366 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510720088 561844356 /nfs/dbraw/zinc/84/43/56/561844356.db2.gz LZORSWNXCSFVMA-KGLIPLIRSA-N 1 0 353.444 2.041 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]2CCCF)c1 ZINC000510680299 561843220 /nfs/dbraw/zinc/84/32/20/561843220.db2.gz HWMYRZBKKZZRGX-BBRMVZONSA-N 1 0 373.450 2.381 20 5 FEBDRO CC(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000611700689 554668112 /nfs/dbraw/zinc/66/81/12/554668112.db2.gz CGRLUQCCZNRPDK-KRWDZBQOSA-N 1 0 358.446 2.222 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000360809502 554890682 /nfs/dbraw/zinc/89/06/82/554890682.db2.gz HOSVYDRKYWAZII-GFCCVEGCSA-N 1 0 373.500 2.228 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360828287 554891581 /nfs/dbraw/zinc/89/15/81/554891581.db2.gz IUYYTJZEBXFWLX-RHSMWYFYSA-N 1 0 361.446 2.085 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000361832656 554937057 /nfs/dbraw/zinc/93/70/57/554937057.db2.gz YRFANVUYKNYDSL-CYBMUJFWSA-N 1 0 353.854 2.107 20 5 FEBDRO CC1CC[NH+](CC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)CC1 ZINC000362259980 554959373 /nfs/dbraw/zinc/95/93/73/554959373.db2.gz VKQXBTPEMGSYMA-UHFFFAOYSA-N 1 0 362.430 2.280 20 5 FEBDRO O=C(CN1CCC[C@H](c2ccncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363015085 555010712 /nfs/dbraw/zinc/01/07/12/555010712.db2.gz UVNLYGZXMPRBBV-HNNXBMFYSA-N 1 0 367.409 2.154 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422734 555101634 /nfs/dbraw/zinc/10/16/34/555101634.db2.gz IXHGJUNWTZJYLY-JHJVBQTASA-N 1 0 353.444 2.276 20 5 FEBDRO CN(C)[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000364189932 555266213 /nfs/dbraw/zinc/26/62/13/555266213.db2.gz JUCGQPUYYRTPPY-LJQANCHMSA-N 1 0 355.394 2.451 20 5 FEBDRO O=C(CC[N@@H+]1CCOC2(CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364247596 555277827 /nfs/dbraw/zinc/27/78/27/555277827.db2.gz ZUTUPRPGJIZGNK-UHFFFAOYSA-N 1 0 363.414 2.195 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556369 555337565 /nfs/dbraw/zinc/33/75/65/555337565.db2.gz JBMBAKZYUVJMFT-DJIMGWMZSA-N 1 0 361.442 2.143 20 5 FEBDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000364613881 555353365 /nfs/dbraw/zinc/35/33/65/555353365.db2.gz DBNAXKQJYVNMGK-UHFFFAOYSA-N 1 0 370.409 2.398 20 5 FEBDRO CC(=O)c1ccc(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000364664213 555367469 /nfs/dbraw/zinc/36/74/69/555367469.db2.gz UZLOTZGHLVVSSH-MRXNPFEDSA-N 1 0 360.458 2.261 20 5 FEBDRO C[NH2+]C1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000364872881 555421928 /nfs/dbraw/zinc/42/19/28/555421928.db2.gz SAMLISQWKPISFS-PKOBYXMFSA-N 1 0 372.469 2.336 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365059373 555475852 /nfs/dbraw/zinc/47/58/52/555475852.db2.gz XBGPEHCCCUJQAZ-LSDHHAIUSA-N 1 0 373.862 2.449 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000365083906 555481659 /nfs/dbraw/zinc/48/16/59/555481659.db2.gz JIRHIRSZJCJULQ-MAUKXSAKSA-N 1 0 356.382 2.192 20 5 FEBDRO Cc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000365115925 555489201 /nfs/dbraw/zinc/48/92/01/555489201.db2.gz IFSUJKRWSCQTNF-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231874 555517570 /nfs/dbraw/zinc/51/75/70/555517570.db2.gz ZWUJHAGMKDWKFL-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365326609 555543482 /nfs/dbraw/zinc/54/34/82/555543482.db2.gz NKXUXVQJMVFGTJ-YOEHRIQHSA-N 1 0 358.442 2.409 20 5 FEBDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365507179 555594120 /nfs/dbraw/zinc/59/41/20/555594120.db2.gz GVUZGFPFHWPNFL-GDBMZVCRSA-N 1 0 363.462 2.465 20 5 FEBDRO CC1CC[NH+](CC2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)CC1 ZINC000365648294 555631432 /nfs/dbraw/zinc/63/14/32/555631432.db2.gz IFFPNARVCVVLNC-UHFFFAOYSA-N 1 0 362.430 2.280 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000365819894 555674823 /nfs/dbraw/zinc/67/48/23/555674823.db2.gz LBIIJPYHXPQAAX-OAHLLOKOSA-N 1 0 364.377 2.007 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365859413 555685419 /nfs/dbraw/zinc/68/54/19/555685419.db2.gz GCZFUKAFCQJSHK-CZUORRHYSA-N 1 0 364.471 2.045 20 5 FEBDRO CCc1nn(C)c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000365974854 555715787 /nfs/dbraw/zinc/71/57/87/555715787.db2.gz IECUBFWOPXMMJB-HOCLYGCPSA-N 1 0 358.446 2.415 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCSC3)CC2)c2c(c1)COCO2 ZINC000366070881 555742510 /nfs/dbraw/zinc/74/25/10/555742510.db2.gz CGBCLIQJYBOEER-OAHLLOKOSA-N 1 0 365.455 2.084 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1 ZINC000367885522 556164989 /nfs/dbraw/zinc/16/49/89/556164989.db2.gz LUXJDIHKWIWMSI-SMDDNHRTSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000368106952 556221079 /nfs/dbraw/zinc/22/10/79/556221079.db2.gz CAYFNRWUPFCWKD-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000515500933 562013176 /nfs/dbraw/zinc/01/31/76/562013176.db2.gz XEDRMBAKQJCPSI-VXGBXAGGSA-N 1 0 358.398 2.403 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368821040 556422373 /nfs/dbraw/zinc/42/23/73/556422373.db2.gz AGWSNOZDZKPBEU-BFRYPLHYSA-N 1 0 359.426 2.056 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951770 556457504 /nfs/dbraw/zinc/45/75/04/556457504.db2.gz RUOIWAPDCVRHTF-OAHLLOKOSA-N 1 0 355.442 2.723 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007043 556473856 /nfs/dbraw/zinc/47/38/56/556473856.db2.gz BTSFNULYDLNHKA-WBVHZDCISA-N 1 0 360.414 2.177 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000369431723 556599219 /nfs/dbraw/zinc/59/92/19/556599219.db2.gz BLRFLOWCICHJQN-OCCSQVGLSA-N 1 0 373.413 2.183 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369586516 556639411 /nfs/dbraw/zinc/63/94/11/556639411.db2.gz YEOVLKKMGHAJIU-RKTXRCNFSA-N 1 0 350.415 2.080 20 5 FEBDRO CCc1ccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000369939331 556736308 /nfs/dbraw/zinc/73/63/08/556736308.db2.gz ZHKZTRZMMURFFY-IAGOWNOFSA-N 1 0 361.442 2.388 20 5 FEBDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516368 562045593 /nfs/dbraw/zinc/04/55/93/562045593.db2.gz QGQYINRINJNEDT-UKRRQHHQSA-N 1 0 367.471 2.455 20 5 FEBDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000516516366 562045651 /nfs/dbraw/zinc/04/56/51/562045651.db2.gz QGQYINRINJNEDT-DZGCQCFKSA-N 1 0 367.471 2.455 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000370203213 556809656 /nfs/dbraw/zinc/80/96/56/556809656.db2.gz ZYLXMHWAFYGJOL-SFHVURJKSA-N 1 0 362.474 2.204 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370463291 556880168 /nfs/dbraw/zinc/88/01/68/556880168.db2.gz JUCSMGBXSNZWMA-UHFFFAOYSA-N 1 0 365.405 2.308 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370603928 556919954 /nfs/dbraw/zinc/91/99/54/556919954.db2.gz WZWCOCPFIMXUPD-HNNXBMFYSA-N 1 0 355.822 2.316 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c(Cl)c1 ZINC000370605606 556920629 /nfs/dbraw/zinc/92/06/29/556920629.db2.gz BDLSTYZLKZNLSY-FZMZJTMJSA-N 1 0 373.862 2.401 20 5 FEBDRO Nc1cc2c(nn1)CC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000370790760 556969874 /nfs/dbraw/zinc/96/98/74/556969874.db2.gz BRVJRJAQZHTPMX-UHFFFAOYSA-N 1 0 366.381 2.223 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370920147 557016055 /nfs/dbraw/zinc/01/60/55/557016055.db2.gz ZGZSPSCWPRCPOU-BEFAXECRSA-N 1 0 371.441 2.070 20 5 FEBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927374 557018869 /nfs/dbraw/zinc/01/88/69/557018869.db2.gz IASNJQHMQRMEPH-KBXCAEBGSA-N 1 0 371.441 2.450 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000517037916 562072963 /nfs/dbraw/zinc/07/29/63/562072963.db2.gz YFCHWKQAECPKBV-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371243887 557117792 /nfs/dbraw/zinc/11/77/92/557117792.db2.gz LRKDOTRMCFOFOU-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO CC1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC000371870039 557315628 /nfs/dbraw/zinc/31/56/28/557315628.db2.gz MMZUYRXUFFSOOU-UHFFFAOYSA-N 1 0 361.446 2.345 20 5 FEBDRO COC(=O)c1cn([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000372037394 557363703 /nfs/dbraw/zinc/36/37/03/557363703.db2.gz LHJTWVGNXXBNHD-NFBGWVBBSA-N 1 0 371.397 2.323 20 5 FEBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000518963731 562122069 /nfs/dbraw/zinc/12/20/69/562122069.db2.gz LZDALVARCBONQU-QGZVFWFLSA-N 1 0 373.409 2.125 20 5 FEBDRO C[N@H+](C[C@H]1CC12CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000372424593 557467191 /nfs/dbraw/zinc/46/71/91/557467191.db2.gz GEBZYQPGPXBZBN-CQSZACIVSA-N 1 0 358.442 2.394 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372556241 557503528 /nfs/dbraw/zinc/50/35/28/557503528.db2.gz IYVMUAVWUBRAPD-LJQANCHMSA-N 1 0 374.441 2.176 20 5 FEBDRO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372607331 557519545 /nfs/dbraw/zinc/51/95/45/557519545.db2.gz UJQOVQTVXODDCR-OAHLLOKOSA-N 1 0 363.418 2.108 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000520006102 562148637 /nfs/dbraw/zinc/14/86/37/562148637.db2.gz IXXYEPLMCXCAAK-HNNXBMFYSA-N 1 0 363.462 2.157 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3ccc([N+](=O)[O-])cc3Cl)[nH]2)CC1 ZINC000373293037 557666703 /nfs/dbraw/zinc/66/67/03/557666703.db2.gz LWNYARIBFVHRRV-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000520336317 562153709 /nfs/dbraw/zinc/15/37/09/562153709.db2.gz XWGJDTBEFFJLFG-HNNXBMFYSA-N 1 0 351.403 2.120 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000374174989 557837187 /nfs/dbraw/zinc/83/71/87/557837187.db2.gz JZHRPUSDPQHZQM-QJPTWQEYSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1C ZINC000374293151 557859853 /nfs/dbraw/zinc/85/98/53/557859853.db2.gz GPERAIIKFUIWHG-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO O=C(NC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566652 557900667 /nfs/dbraw/zinc/90/06/67/557900667.db2.gz RMPPBYKRUGKAKL-PBHICJAKSA-N 1 0 373.409 2.363 20 5 FEBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641900 557911067 /nfs/dbraw/zinc/91/10/67/557911067.db2.gz BHCZYNLHJINPJJ-UGSOOPFHSA-N 1 0 372.381 2.420 20 5 FEBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374884406 557945780 /nfs/dbraw/zinc/94/57/80/557945780.db2.gz VFOWLQBCTZBJPA-HOCLYGCPSA-N 1 0 366.425 2.960 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000375200987 557991219 /nfs/dbraw/zinc/99/12/19/557991219.db2.gz JYJCDHRJTMHCCI-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO NC(=O)[C@@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000375414388 558023156 /nfs/dbraw/zinc/02/31/56/558023156.db2.gz ZCMIFRKAILMHJQ-RKDXNWHRSA-N 1 0 351.712 2.344 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375513653 558040860 /nfs/dbraw/zinc/04/08/60/558040860.db2.gz VOODZSFFLDGBHW-LLVKDONJSA-N 1 0 356.810 2.169 20 5 FEBDRO NS(=O)(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000375570638 558050716 /nfs/dbraw/zinc/05/07/16/558050716.db2.gz ZLYDZCIUFDCRSO-UHFFFAOYSA-N 1 0 365.411 2.108 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000375698240 558069405 /nfs/dbraw/zinc/06/94/05/558069405.db2.gz PWRJNZMDZHIRII-UHFFFAOYSA-N 1 0 363.414 2.481 20 5 FEBDRO CC(C)n1nc2c(cc1=O)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000375792493 558080387 /nfs/dbraw/zinc/08/03/87/558080387.db2.gz HIXTXZSNFAPZDT-UHFFFAOYSA-N 1 0 358.398 2.170 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000375894225 558095204 /nfs/dbraw/zinc/09/52/04/558095204.db2.gz XKWBTVXDFCGKKO-IRXDYDNUSA-N 1 0 370.365 2.331 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000375894224 558095394 /nfs/dbraw/zinc/09/53/94/558095394.db2.gz XKWBTVXDFCGKKO-IAGOWNOFSA-N 1 0 370.365 2.331 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000375899476 558096051 /nfs/dbraw/zinc/09/60/51/558096051.db2.gz CDRNNLYOTYFFLN-QGZVFWFLSA-N 1 0 350.438 2.334 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000521688844 562182249 /nfs/dbraw/zinc/18/22/49/562182249.db2.gz DWCIHYNJUIMLDB-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000521691904 562182261 /nfs/dbraw/zinc/18/22/61/562182261.db2.gz ZWVFMKKFTLZBDP-STQMWFEESA-N 1 0 355.460 2.444 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000377283592 558306329 /nfs/dbraw/zinc/30/63/29/558306329.db2.gz RYSLAQQCUQDULR-UONOGXRCSA-N 1 0 359.835 2.140 20 5 FEBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522037502 562189951 /nfs/dbraw/zinc/18/99/51/562189951.db2.gz LPADJTIGIPDMJQ-OAHLLOKOSA-N 1 0 355.398 2.089 20 5 FEBDRO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512634 558354993 /nfs/dbraw/zinc/35/49/93/558354993.db2.gz OKZCEMHJMZAPDH-CJKAQPIMSA-N 1 0 361.398 2.056 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000377663248 558390008 /nfs/dbraw/zinc/39/00/08/558390008.db2.gz UNJMQHXJJUBKRL-PBHICJAKSA-N 1 0 374.441 2.399 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000378057689 558471295 /nfs/dbraw/zinc/47/12/95/558471295.db2.gz MSZYNYKNECKURY-OAHLLOKOSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378224395 558506225 /nfs/dbraw/zinc/50/62/25/558506225.db2.gz IMGKVMNXOLYSPA-GOEBONIOSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000378253141 558512152 /nfs/dbraw/zinc/51/21/52/558512152.db2.gz QFMXTLWLBMQLNQ-ZDUSSCGKSA-N 1 0 364.427 2.264 20 5 FEBDRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000378253138 558512270 /nfs/dbraw/zinc/51/22/70/558512270.db2.gz QFMXTLWLBMQLNQ-CYBMUJFWSA-N 1 0 364.427 2.264 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CC[C@@H](c3ccco3)C2)cc1 ZINC000378648772 558600436 /nfs/dbraw/zinc/60/04/36/558600436.db2.gz JEBSDKYRPCALDX-CYBMUJFWSA-N 1 0 350.396 2.451 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397275868 558624507 /nfs/dbraw/zinc/62/45/07/558624507.db2.gz PTHIWNDZLJWXJA-MXWKQRLJSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1C ZINC000405319457 558632431 /nfs/dbraw/zinc/63/24/31/558632431.db2.gz TUFSLJXNINXMMI-IAQYHMDHSA-N 1 0 355.460 2.350 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000524611226 562231044 /nfs/dbraw/zinc/23/10/44/562231044.db2.gz GBNSWDBCRHTNFN-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524737079 562233462 /nfs/dbraw/zinc/23/34/62/562233462.db2.gz FPKFBPZPJNBACQ-OCCSQVGLSA-N 1 0 357.414 2.208 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000524976758 562238904 /nfs/dbraw/zinc/23/89/04/562238904.db2.gz GWLLUFVWWJPLNE-IBGZPJMESA-N 1 0 370.409 2.353 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000411169617 558847761 /nfs/dbraw/zinc/84/77/61/558847761.db2.gz RROGRZOXIGLUMD-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000411318689 558875819 /nfs/dbraw/zinc/87/58/19/558875819.db2.gz QKQMFHQOFPDLDY-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000411419323 558891965 /nfs/dbraw/zinc/89/19/65/558891965.db2.gz KGTBGOVRKVXVJK-ZFWWWQNUSA-N 1 0 362.430 2.030 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC[NH+](CC3CC3)CC2)c1F ZINC000411497622 558905764 /nfs/dbraw/zinc/90/57/64/558905764.db2.gz AXERZRBDHNWZPZ-UHFFFAOYSA-N 1 0 365.405 2.276 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525678220 562251914 /nfs/dbraw/zinc/25/19/14/562251914.db2.gz UKJKLYZYKSCAQC-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617230 558930096 /nfs/dbraw/zinc/93/00/96/558930096.db2.gz KOKKIEBKJKQZAW-VMGRFDJRSA-N 1 0 361.398 2.197 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715108 558949523 /nfs/dbraw/zinc/94/95/23/558949523.db2.gz AXHVMRXMTCJFTN-OKILXGFUSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000411735147 558952836 /nfs/dbraw/zinc/95/28/36/558952836.db2.gz JIGIAUFOOIUKDE-SFHVURJKSA-N 1 0 359.382 2.126 20 5 FEBDRO CO[C@](C)([C@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945219 558992951 /nfs/dbraw/zinc/99/29/51/558992951.db2.gz KJZYBNOBLGFRDK-DYZYQPBXSA-N 1 0 365.386 2.055 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412067659 559009192 /nfs/dbraw/zinc/00/91/92/559009192.db2.gz DWGYNTNCCLMNKV-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412076057 559010311 /nfs/dbraw/zinc/01/03/11/559010311.db2.gz JJBGLKXNNIHUEU-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000412108894 559014429 /nfs/dbraw/zinc/01/44/29/559014429.db2.gz OBZGHUQPDFCPCB-ZYSHUDEJSA-N 1 0 373.453 2.269 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000412122675 559015665 /nfs/dbraw/zinc/01/56/65/559015665.db2.gz GRMNLQBLRWLOEK-DGCLKSJQSA-N 1 0 353.394 2.084 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412206860 559020067 /nfs/dbraw/zinc/02/00/67/559020067.db2.gz UASTYWVOADTYPU-ZRSRNVLSSA-N 1 0 373.453 2.408 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1F ZINC000412349976 559029828 /nfs/dbraw/zinc/02/98/28/559029828.db2.gz WDPXYUDLRKFAPC-JSGCOSHPSA-N 1 0 365.405 2.370 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362966 559031059 /nfs/dbraw/zinc/03/10/59/559031059.db2.gz QYLKFAQBMDIOSG-ZWKOTPCHSA-N 1 0 362.474 2.040 20 5 FEBDRO CC[C@@H](C(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000413072386 559075227 /nfs/dbraw/zinc/07/52/27/559075227.db2.gz PCRNQINELGUZEZ-CABCVRRESA-N 1 0 365.430 2.434 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413135028 559081709 /nfs/dbraw/zinc/08/17/09/559081709.db2.gz LUSJGSCJQULUMI-KRWDZBQOSA-N 1 0 355.442 2.359 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000413152949 559083540 /nfs/dbraw/zinc/08/35/40/559083540.db2.gz JNIBNHXXZVJZBC-WMLDXEAASA-N 1 0 360.389 2.424 20 5 FEBDRO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1Cc1ccccc1 ZINC000413535278 559114859 /nfs/dbraw/zinc/11/48/59/559114859.db2.gz SVGLDELSZURWRH-AWEZNQCLSA-N 1 0 352.398 2.348 20 5 FEBDRO COc1ccc(-c2ccc(CN3CCCO[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415103420 559205240 /nfs/dbraw/zinc/20/52/40/559205240.db2.gz FOBGLRAHPZFMLF-OAHLLOKOSA-N 1 0 361.398 2.413 20 5 FEBDRO CC(C)c1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000527128545 562277408 /nfs/dbraw/zinc/27/74/08/562277408.db2.gz SXTHMQOMEQHBAO-UHFFFAOYSA-N 1 0 362.474 2.476 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595594 559253906 /nfs/dbraw/zinc/25/39/06/559253906.db2.gz HJYNQTPYUOUWPF-ZWNOBZJWSA-N 1 0 364.402 2.281 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415597281 559253991 /nfs/dbraw/zinc/25/39/91/559253991.db2.gz IYIKAECCBHOLLI-CYBMUJFWSA-N 1 0 352.391 2.185 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H](C)CCCC[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415603301 559254450 /nfs/dbraw/zinc/25/44/50/559254450.db2.gz UFOXNKHXNVTGBQ-JTQLQIEISA-N 1 0 352.391 2.329 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000416308184 559304813 /nfs/dbraw/zinc/30/48/13/559304813.db2.gz OZIUEOMWJIFQJQ-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416397250 559310149 /nfs/dbraw/zinc/31/01/49/559310149.db2.gz ILTITWWYXQNJGA-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000416557506 559321664 /nfs/dbraw/zinc/32/16/64/559321664.db2.gz GYKKLKJMPDPPPB-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H](CC[NH3+])NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416889552 559336795 /nfs/dbraw/zinc/33/67/95/559336795.db2.gz PWXDKFCALBKVGN-VIFPVBQESA-N 1 0 363.340 2.062 20 5 FEBDRO CC[C@@H]([NH3+])CNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416894286 559337011 /nfs/dbraw/zinc/33/70/11/559337011.db2.gz SESCOCPHJFOSCV-SNVBAGLBSA-N 1 0 363.340 2.062 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418097006 559389963 /nfs/dbraw/zinc/38/99/63/559389963.db2.gz YBBUYJLXXVYCBG-ZANVPECISA-N 1 0 360.336 2.411 20 5 FEBDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418367592 559399324 /nfs/dbraw/zinc/39/93/24/559399324.db2.gz KVJNXNHQLREKEH-CYBMUJFWSA-N 1 0 350.419 2.003 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338568 559438239 /nfs/dbraw/zinc/43/82/39/559438239.db2.gz LJICXLLJDUJAHX-HUUCEWRRSA-N 1 0 374.441 2.179 20 5 FEBDRO C[C@@H](CCC[NH3+])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420433249 559487134 /nfs/dbraw/zinc/48/71/34/559487134.db2.gz CJLMSYFSKFSHBL-ZETCQYMHSA-N 1 0 356.231 2.307 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420467110 559489060 /nfs/dbraw/zinc/48/90/60/559489060.db2.gz NAHGCIJPGZIRDD-FOCQTFQBSA-N 1 0 359.835 2.042 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420469050 559489196 /nfs/dbraw/zinc/48/91/96/559489196.db2.gz PBUUFLAEDSXLRW-HZNSRWLBSA-N 1 0 359.835 2.042 20 5 FEBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000421369425 559540338 /nfs/dbraw/zinc/54/03/38/559540338.db2.gz BEOJWAGMMRAZHT-KGLIPLIRSA-N 1 0 352.387 2.194 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000421377095 559540530 /nfs/dbraw/zinc/54/05/30/559540530.db2.gz HMAJOMYJJLPBHP-CQSZACIVSA-N 1 0 353.444 2.161 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4nnnn4CC3)o2)cc1 ZINC000421399702 559541384 /nfs/dbraw/zinc/54/13/84/559541384.db2.gz QSUAOFKXTTXZIM-CYBMUJFWSA-N 1 0 354.370 2.336 20 5 FEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411994 559628243 /nfs/dbraw/zinc/62/82/43/559628243.db2.gz GRVNQUBJTOIZAT-GDBMZVCRSA-N 1 0 361.446 2.300 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423949291 559647565 /nfs/dbraw/zinc/64/75/65/559647565.db2.gz MLAGMCOGIYBMGC-CQSZACIVSA-N 1 0 353.444 2.032 20 5 FEBDRO COc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000423963133 559648170 /nfs/dbraw/zinc/64/81/70/559648170.db2.gz FFQOAOXSBBKDPW-GXTWGEPZSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424029839 559651925 /nfs/dbraw/zinc/65/19/25/559651925.db2.gz ZQIUAVMIOCVZIR-ZJUUUORDSA-N 1 0 356.220 2.414 20 5 FEBDRO [NH3+]C1(c2noc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424336065 559661472 /nfs/dbraw/zinc/66/14/72/559661472.db2.gz IGMPFWPIOHHPPC-UHFFFAOYSA-N 1 0 359.386 2.068 20 5 FEBDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2C1 ZINC000425038087 559684726 /nfs/dbraw/zinc/68/47/26/559684726.db2.gz LGEAGOXPJBSXLW-UHFFFAOYSA-N 1 0 350.404 2.183 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000425355091 559698011 /nfs/dbraw/zinc/69/80/11/559698011.db2.gz UBQIAGLCAXQETQ-UHFFFAOYSA-N 1 0 365.430 2.004 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427359871 559754147 /nfs/dbraw/zinc/75/41/47/559754147.db2.gz XFRGNQSEIXSKPS-OAHLLOKOSA-N 1 0 357.414 2.158 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000427903217 559765010 /nfs/dbraw/zinc/76/50/10/559765010.db2.gz HTZUFUAZWABWAK-CYBMUJFWSA-N 1 0 360.414 2.368 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]2)CC1 ZINC000428257279 559772339 /nfs/dbraw/zinc/77/23/39/559772339.db2.gz AJPSCDSZRYWOPP-UHFFFAOYSA-N 1 0 368.397 2.792 20 5 FEBDRO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000428544961 559777693 /nfs/dbraw/zinc/77/76/93/559777693.db2.gz YYLZILLWUXYDOB-UHFFFAOYSA-N 1 0 364.423 2.305 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429309960 559795446 /nfs/dbraw/zinc/79/54/46/559795446.db2.gz SPORHNFNIBLMRV-GFCCVEGCSA-N 1 0 357.366 2.005 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312172 559795591 /nfs/dbraw/zinc/79/55/91/559795591.db2.gz OHAIYUQPNHNOQU-AAEUAGOBSA-N 1 0 371.393 2.393 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000429502711 559800026 /nfs/dbraw/zinc/80/00/26/559800026.db2.gz IFPTTWCBZOQRCW-ZBFHGGJFSA-N 1 0 351.403 2.479 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000430690356 559826445 /nfs/dbraw/zinc/82/64/45/559826445.db2.gz DCAIUZWAYYXWES-INIZCTEOSA-N 1 0 357.414 2.289 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193607 559873245 /nfs/dbraw/zinc/87/32/45/559873245.db2.gz RKZNZSUSUMBSCV-CVEARBPZSA-N 1 0 370.471 2.179 20 5 FEBDRO COc1cc(C[N@H+](C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000434746732 559908222 /nfs/dbraw/zinc/90/82/22/559908222.db2.gz JYQXLRKGZIWAIB-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000434772606 559909062 /nfs/dbraw/zinc/90/90/62/559909062.db2.gz GNHNCFBWYZYWHO-WFASDCNBSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1cc(CN2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435390617 559921964 /nfs/dbraw/zinc/92/19/64/559921964.db2.gz SKNSVPPOUIWWBN-LLVKDONJSA-N 1 0 359.373 2.418 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H]1CCO ZINC000438651439 559981843 /nfs/dbraw/zinc/98/18/43/559981843.db2.gz JMJRPGXFZSULJD-CQSZACIVSA-N 1 0 353.444 2.032 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000439000261 559987008 /nfs/dbraw/zinc/98/70/08/559987008.db2.gz WXYHNGSYXATKIJ-UHFFFAOYSA-N 1 0 363.458 2.451 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000439029156 559987426 /nfs/dbraw/zinc/98/74/26/559987426.db2.gz OLDOXIYZKFBWGF-CQSZACIVSA-N 1 0 352.435 2.426 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000440403545 560010403 /nfs/dbraw/zinc/01/04/03/560010403.db2.gz FIXZNQXUDSBQBP-OIBJUYFYSA-N 1 0 368.242 2.259 20 5 FEBDRO Cc1cccc(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440507675 560012901 /nfs/dbraw/zinc/01/29/01/560012901.db2.gz UHRRULFTUDPOHS-HXUWFJFHSA-N 1 0 369.421 2.270 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109467 560044263 /nfs/dbraw/zinc/04/42/63/560044263.db2.gz IOOCZSWKMQCUGI-MCIONIFRSA-N 1 0 355.460 2.240 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000443361656 560081904 /nfs/dbraw/zinc/08/19/04/560081904.db2.gz YUHABBVLLSQGDF-KGLIPLIRSA-N 1 0 362.430 2.173 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443626411 560088913 /nfs/dbraw/zinc/08/89/13/560088913.db2.gz PZIZAUGKKPMHPP-JSGCOSHPSA-N 1 0 350.419 2.085 20 5 FEBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443804119 560093454 /nfs/dbraw/zinc/09/34/54/560093454.db2.gz KKXVDWWSGDGWKO-HNNXBMFYSA-N 1 0 372.425 2.403 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443813163 560093624 /nfs/dbraw/zinc/09/36/24/560093624.db2.gz REFWTGHVOZNOQU-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@@H]1CC[C@H](Nc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])C1 ZINC000443983549 560098295 /nfs/dbraw/zinc/09/82/95/560098295.db2.gz FOIBPJADCCBJKF-OLZOCXBDSA-N 1 0 370.475 2.035 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446080627 560139689 /nfs/dbraw/zinc/13/96/89/560139689.db2.gz MPLLXUJVDQTVOR-YNEHKIRRSA-N 1 0 351.403 2.430 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000446815710 560152267 /nfs/dbraw/zinc/15/22/67/560152267.db2.gz YCBHYLSFCNANHF-UHFFFAOYSA-N 1 0 372.381 2.112 20 5 FEBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000446896540 560153154 /nfs/dbraw/zinc/15/31/54/560153154.db2.gz OHJXJMXNJCNKNU-SFHVURJKSA-N 1 0 366.414 2.274 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446899656 560153191 /nfs/dbraw/zinc/15/31/91/560153191.db2.gz KDJZTWIQBYLYDP-NEPJUHHUSA-N 1 0 360.418 2.095 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000447513560 560163639 /nfs/dbraw/zinc/16/36/39/560163639.db2.gz XIDRACDLFPZQRS-SJKOYZFVSA-N 1 0 371.441 2.327 20 5 FEBDRO O=C(NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447559826 560164419 /nfs/dbraw/zinc/16/44/19/560164419.db2.gz BDDWNIAXSDNCQK-HZPDHXFCSA-N 1 0 357.414 2.295 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CCS(=O)(=O)CC2)n1 ZINC000447574806 560164754 /nfs/dbraw/zinc/16/47/54/560164754.db2.gz ORHZELDVMASQBE-CABCVRRESA-N 1 0 370.475 2.080 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CCCC1 ZINC000448717427 560196143 /nfs/dbraw/zinc/19/61/43/560196143.db2.gz OBLKMRFYUGWZLY-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)N(C)C ZINC000449554827 560233362 /nfs/dbraw/zinc/23/33/62/560233362.db2.gz DREBTUNPWIGBOT-VIFPVBQESA-N 1 0 363.199 2.239 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(F)F ZINC000449612402 560234831 /nfs/dbraw/zinc/23/48/31/560234831.db2.gz LZSWZMCOQCEPSG-AWEZNQCLSA-N 1 0 359.376 2.253 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985940 560247255 /nfs/dbraw/zinc/24/72/55/560247255.db2.gz NPPFVLDMXPESEW-SJCJKPOMSA-N 1 0 357.414 2.397 20 5 FEBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096235 560250646 /nfs/dbraw/zinc/25/06/46/560250646.db2.gz GOCDAFRVMGKSFQ-HIFRSBDPSA-N 1 0 357.414 2.239 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152969 560252324 /nfs/dbraw/zinc/25/23/24/560252324.db2.gz RQZRSXDDZZLIAF-PIGZYNQJSA-N 1 0 355.398 2.197 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@H]4CCOC4)CC3)nc2c1 ZINC000450741859 560271826 /nfs/dbraw/zinc/27/18/26/560271826.db2.gz YOOYKLXYVQDNRM-AWEZNQCLSA-N 1 0 359.430 2.410 20 5 FEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1=CC[N@H+](C)CC1 ZINC000450755956 560272122 /nfs/dbraw/zinc/27/21/22/560272122.db2.gz JTIVRXATOSJXMZ-CYBMUJFWSA-N 1 0 355.398 2.161 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000451302252 560298978 /nfs/dbraw/zinc/29/89/78/560298978.db2.gz KDCQGLVUXZLNTC-FVQBIDKESA-N 1 0 374.397 2.007 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451464703 560308444 /nfs/dbraw/zinc/30/84/44/560308444.db2.gz FUWUBAVMSWFAMN-CSMYWGQOSA-N 1 0 363.414 2.335 20 5 FEBDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483078 560309796 /nfs/dbraw/zinc/30/97/96/560309796.db2.gz DTTFIUPVOQBIHY-RHSMWYFYSA-N 1 0 365.386 2.055 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOCC12CCCCC2 ZINC000451816631 560330356 /nfs/dbraw/zinc/33/03/56/560330356.db2.gz PLKWTDIXBWHCBH-OAHLLOKOSA-N 1 0 350.415 2.370 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451904431 560336080 /nfs/dbraw/zinc/33/60/80/560336080.db2.gz QTBNCUATUKPAHI-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000451920872 560337583 /nfs/dbraw/zinc/33/75/83/560337583.db2.gz YIQLIAHMIGEHHZ-JKSUJKDBSA-N 1 0 360.458 2.251 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452010750 560345295 /nfs/dbraw/zinc/34/52/95/560345295.db2.gz FKRPXVSOJPQTHD-SGIREYDYSA-N 1 0 351.403 2.478 20 5 FEBDRO CCC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000453153027 560384090 /nfs/dbraw/zinc/38/40/90/560384090.db2.gz YDRBAXNIALWPSX-CQSZACIVSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000454023105 560422777 /nfs/dbraw/zinc/42/27/77/560422777.db2.gz LJAPQQMFMSQPHF-LLVKDONJSA-N 1 0 368.821 2.129 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454383549 560442375 /nfs/dbraw/zinc/44/23/75/560442375.db2.gz OQZRREBIHTVZPL-HNNXBMFYSA-N 1 0 361.377 2.203 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456354382 560516857 /nfs/dbraw/zinc/51/68/57/560516857.db2.gz PDKPFIMPKVTANS-LBPRGKRZSA-N 1 0 358.398 2.405 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000456530391 560523513 /nfs/dbraw/zinc/52/35/13/560523513.db2.gz YHVFIBAOPMGBPF-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000457112393 560549899 /nfs/dbraw/zinc/54/98/99/560549899.db2.gz JIIUHUVSFMBDBU-QGZVFWFLSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000457388230 560564734 /nfs/dbraw/zinc/56/47/34/560564734.db2.gz YZQHTGLSEKMNFW-WDEREUQCSA-N 1 0 355.847 2.408 20 5 FEBDRO C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458890397 560654232 /nfs/dbraw/zinc/65/42/32/560654232.db2.gz OYHXSWOTYJEKAA-WMLDXEAASA-N 1 0 364.446 2.048 20 5 FEBDRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000458892920 560654468 /nfs/dbraw/zinc/65/44/68/560654468.db2.gz VVRPEDDQLMKGCJ-AWEZNQCLSA-N 1 0 364.446 2.408 20 5 FEBDRO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656450 560700446 /nfs/dbraw/zinc/70/04/46/560700446.db2.gz DXGJWKZQNVZBEO-GVDBMIGSSA-N 1 0 357.410 2.201 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)s1 ZINC000459696532 560702771 /nfs/dbraw/zinc/70/27/71/560702771.db2.gz LMKVHSSDPKWNHA-LBPRGKRZSA-N 1 0 359.411 2.066 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459750870 560706283 /nfs/dbraw/zinc/70/62/83/560706283.db2.gz HSGUCAKBYGOPTQ-HZPDHXFCSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459779214 560707654 /nfs/dbraw/zinc/70/76/54/560707654.db2.gz MFGPXGKDPMPPCO-UHFFFAOYSA-N 1 0 359.426 2.373 20 5 FEBDRO COCCCN(C(=O)c1cc([N+](=O)[O-])ccc1OC)C1CC[NH+](C)CC1 ZINC000464719991 560849099 /nfs/dbraw/zinc/84/90/99/560849099.db2.gz NOIQBKBKOULDQR-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467132294 560904374 /nfs/dbraw/zinc/90/43/74/560904374.db2.gz TUROVRONDLNKDJ-CYBMUJFWSA-N 1 0 351.403 2.433 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H](CCO)c1ccco1 ZINC000469512024 560956797 /nfs/dbraw/zinc/95/67/97/560956797.db2.gz LUKCCPGOKTYACW-CYBMUJFWSA-N 1 0 361.354 2.199 20 5 FEBDRO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)[NH+](C)C ZINC000471132179 560998889 /nfs/dbraw/zinc/99/88/89/560998889.db2.gz VEGNSBOXSDPAAP-XJKSGUPXSA-N 1 0 359.430 2.334 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000474310555 561070959 /nfs/dbraw/zinc/07/09/59/561070959.db2.gz KUFFZVBNENKWQG-QMTHXVAHSA-N 1 0 350.325 2.077 20 5 FEBDRO COc1ccc(CN2CCN(c3cc[nH+]cc3OC)CC2)cc1[N+](=O)[O-] ZINC000475630622 561101189 /nfs/dbraw/zinc/10/11/89/561101189.db2.gz HMCGAYWQFVSZJQ-UHFFFAOYSA-N 1 0 358.398 2.329 20 5 FEBDRO COCC1CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475727384 561103480 /nfs/dbraw/zinc/10/34/80/561103480.db2.gz YSBBMWZXNJIEFN-UHFFFAOYSA-N 1 0 352.387 2.005 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000475753413 561104340 /nfs/dbraw/zinc/10/43/40/561104340.db2.gz XWBNEPJUVPAGPH-WMZOPIPTSA-N 1 0 350.415 2.227 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025048 561134568 /nfs/dbraw/zinc/13/45/68/561134568.db2.gz LRDNDSCWVCDYIJ-AWEZNQCLSA-N 1 0 357.414 2.065 20 5 FEBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532397458 562476448 /nfs/dbraw/zinc/47/64/48/562476448.db2.gz QVSJABHFZYNTBC-UHFFFAOYSA-N 1 0 355.398 2.384 20 5 FEBDRO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533365301 562506640 /nfs/dbraw/zinc/50/66/40/562506640.db2.gz OGHQVCLOQGCVCY-QGZVFWFLSA-N 1 0 373.457 2.045 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497933 562510911 /nfs/dbraw/zinc/51/09/11/562510911.db2.gz YSXSIDVYIWQCDQ-CQSZACIVSA-N 1 0 355.460 2.384 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533498592 562510959 /nfs/dbraw/zinc/51/09/59/562510959.db2.gz XMFQRTFOGJCVEU-CYBMUJFWSA-N 1 0 370.475 2.165 20 5 FEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000536880500 562581727 /nfs/dbraw/zinc/58/17/27/562581727.db2.gz BOVYKOZJYFQMKK-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541819667 562620477 /nfs/dbraw/zinc/62/04/77/562620477.db2.gz ADHYEYMWZOKKPR-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000546070857 562633273 /nfs/dbraw/zinc/63/32/73/562633273.db2.gz KDJZHZYQNYOPHK-UHFFFAOYSA-N 1 0 369.487 2.478 20 5 FEBDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602810377 568041815 /nfs/dbraw/zinc/04/18/15/568041815.db2.gz SZKOLFXBYHFDJX-KBPBESRZSA-N 1 0 359.430 2.408 20 5 FEBDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cn(C)nc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000602825950 568046404 /nfs/dbraw/zinc/04/64/04/568046404.db2.gz VBSYVKVJKJBQJC-ZWKOTPCHSA-N 1 0 371.441 2.405 20 5 FEBDRO CC(C)Oc1nc(N2CC[NH+](CC3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000568532023 568047342 /nfs/dbraw/zinc/04/73/42/568047342.db2.gz WWNZXFCNNOQYGA-UHFFFAOYSA-N 1 0 364.446 2.326 20 5 FEBDRO Cc1cccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)c1 ZINC000569450406 568402821 /nfs/dbraw/zinc/40/28/21/568402821.db2.gz ZUXDIICZJHOFRX-PKOBYXMFSA-N 1 0 367.409 2.235 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000569886780 568433850 /nfs/dbraw/zinc/43/38/50/568433850.db2.gz CGNGNYCIITYCEU-UHFFFAOYSA-N 1 0 351.451 2.365 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570374296 568481709 /nfs/dbraw/zinc/48/17/09/568481709.db2.gz RTNZLCSBLXHZJW-UHFFFAOYSA-N 1 0 362.430 2.375 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000570664633 568494443 /nfs/dbraw/zinc/49/44/43/568494443.db2.gz HUDNRQQBAXSFPA-IAGOWNOFSA-N 1 0 361.442 2.290 20 5 FEBDRO C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000570689379 568494581 /nfs/dbraw/zinc/49/45/81/568494581.db2.gz RQNIIGLXOICIPY-IUODEOHRSA-N 1 0 360.380 2.424 20 5 FEBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927236 568706357 /nfs/dbraw/zinc/70/63/57/568706357.db2.gz VLPTVGWMGLWFSH-SFYZADRCSA-N 1 0 355.338 2.018 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1cccc(F)c1 ZINC000821581721 599257388 /nfs/dbraw/zinc/25/73/88/599257388.db2.gz TZXWFZPDIPPOLA-AWEZNQCLSA-N 1 0 372.364 2.024 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000556922755 674427931 /nfs/dbraw/zinc/42/79/31/674427931.db2.gz FABKTGAZWDOTBS-HOCLYGCPSA-N 1 0 369.487 2.320 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000557467585 674450150 /nfs/dbraw/zinc/45/01/50/674450150.db2.gz RUNNIXPZBUIRAW-GFCCVEGCSA-N 1 0 355.460 2.151 20 5 FEBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823650838 606142886 /nfs/dbraw/zinc/14/28/86/606142886.db2.gz CCUCNLCQVWXFHT-UHFFFAOYSA-N 1 0 372.433 2.379 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810495394 674546852 /nfs/dbraw/zinc/54/68/52/674546852.db2.gz DQNFQXSEHWHBGE-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000826283499 608554269 /nfs/dbraw/zinc/55/42/69/608554269.db2.gz SJGMMOBDJOMSPU-SJKOYZFVSA-N 1 0 368.397 2.468 20 5 FEBDRO COc1cc(OCC(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810846729 674564745 /nfs/dbraw/zinc/56/47/45/674564745.db2.gz IKIODMTWVOHYAI-GXTWGEPZSA-N 1 0 350.371 2.152 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000811584039 674615199 /nfs/dbraw/zinc/61/51/99/674615199.db2.gz SHMQNMADQODXGB-JTQLQIEISA-N 1 0 351.432 2.450 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000563754137 674935917 /nfs/dbraw/zinc/93/59/17/674935917.db2.gz ROHRWBRAVOWJCE-CQSZACIVSA-N 1 0 357.476 2.177 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000564112180 674974562 /nfs/dbraw/zinc/97/45/62/674974562.db2.gz DWUNMKXOEKNRMB-LSDHHAIUSA-N 1 0 353.444 2.172 20 5 FEBDRO CC1(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000564443500 675019640 /nfs/dbraw/zinc/01/96/40/675019640.db2.gz MEKFFKFIDDDDOF-UHFFFAOYSA-N 1 0 361.320 2.408 20 5 FEBDRO COc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000564469209 675024004 /nfs/dbraw/zinc/02/40/04/675024004.db2.gz BTFRVVSTZMWFGP-CYBMUJFWSA-N 1 0 353.394 2.434 20 5 FEBDRO COC[C@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000564839210 675066628 /nfs/dbraw/zinc/06/66/28/675066628.db2.gz FEGXAYWJMUQIBH-CQSZACIVSA-N 1 0 361.320 2.112 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](CC2CCOCC2)CC1 ZINC000816930050 675087705 /nfs/dbraw/zinc/08/77/05/675087705.db2.gz SJXIGUIRQCIXSP-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055400623 670350349 /nfs/dbraw/zinc/35/03/49/670350349.db2.gz PBOGBOHFRJYMRZ-VXGBXAGGSA-N 1 0 350.375 2.353 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000565220310 675103119 /nfs/dbraw/zinc/10/31/19/675103119.db2.gz DTGSFBITXNBYPY-CYBMUJFWSA-N 1 0 352.410 2.324 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000817289136 675117950 /nfs/dbraw/zinc/11/79/50/675117950.db2.gz TYRVSWBQRKYXKH-UHFFFAOYSA-N 1 0 369.468 2.109 20 5 FEBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000570682220 670752775 /nfs/dbraw/zinc/75/27/75/670752775.db2.gz XJKXNUSSCISVDC-UHFFFAOYSA-N 1 0 369.365 2.280 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000093434228 670753163 /nfs/dbraw/zinc/75/31/63/670753163.db2.gz GIZMVFQZTPADJA-MWLCHTKSSA-N 1 0 357.208 2.027 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000105349954 670799594 /nfs/dbraw/zinc/79/95/94/670799594.db2.gz NIJZLKDSEADJTH-UHFFFAOYSA-N 1 0 356.810 2.169 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000573000508 671069824 /nfs/dbraw/zinc/06/98/24/671069824.db2.gz FWPACSLMJGDDRX-INIZCTEOSA-N 1 0 361.423 2.150 20 5 FEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000566009833 675167681 /nfs/dbraw/zinc/16/76/81/675167681.db2.gz NKZYHJVCAHZCHO-MNOVXSKESA-N 1 0 350.419 2.073 20 5 FEBDRO CCOc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000573111110 671084366 /nfs/dbraw/zinc/08/43/66/671084366.db2.gz UAJQWWMXAAWOOJ-GFCCVEGCSA-N 1 0 351.403 2.346 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566112257 675181972 /nfs/dbraw/zinc/18/19/72/675181972.db2.gz LTBKTBRSQMFSEF-VKJFTORMSA-N 1 0 352.431 2.375 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000574328102 671227378 /nfs/dbraw/zinc/22/73/78/671227378.db2.gz SHXRRAHKAHCWFS-STQMWFEESA-N 1 0 371.459 2.097 20 5 FEBDRO CC(C)C(C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000575442277 671313456 /nfs/dbraw/zinc/31/34/56/671313456.db2.gz SQKYVNJJFCLPNY-UHFFFAOYSA-N 1 0 357.476 2.391 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000575795005 671321229 /nfs/dbraw/zinc/32/12/29/671321229.db2.gz NNWGGBPLTBEKOJ-GFCCVEGCSA-N 1 0 353.419 2.461 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576703148 671388155 /nfs/dbraw/zinc/38/81/55/671388155.db2.gz CTEKULKCDWAVHH-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000609135400 675911689 /nfs/dbraw/zinc/91/16/89/675911689.db2.gz ILXOGTIFYWXJNN-GFCCVEGCSA-N 1 0 351.403 2.215 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609557357 675925877 /nfs/dbraw/zinc/92/58/77/675925877.db2.gz YFTSVAFYOBWEJJ-CQSZACIVSA-N 1 0 350.419 2.146 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560587 675926273 /nfs/dbraw/zinc/92/62/73/675926273.db2.gz RGEYRSIUQQFYNX-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000578521857 671671403 /nfs/dbraw/zinc/67/14/03/671671403.db2.gz PBNTUSGZKUOEBZ-HNNXBMFYSA-N 1 0 352.822 2.373 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000609793313 675936489 /nfs/dbraw/zinc/93/64/89/675936489.db2.gz HDQQIVDNWXBMLE-OAHLLOKOSA-N 1 0 369.849 2.360 20 5 FEBDRO NS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000579852096 671766105 /nfs/dbraw/zinc/76/61/05/671766105.db2.gz BMBWVBIBSGROOK-INIZCTEOSA-N 1 0 361.423 2.062 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000580552856 671817607 /nfs/dbraw/zinc/81/76/07/671817607.db2.gz DCYKAMAWBAZFHR-CYBMUJFWSA-N 1 0 352.822 2.373 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000580980947 671852475 /nfs/dbraw/zinc/85/24/75/671852475.db2.gz JLHZRFZKMIVMJO-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000581604927 671916728 /nfs/dbraw/zinc/91/67/28/671916728.db2.gz FQRUYRFUCYWONS-UHFFFAOYSA-N 1 0 367.471 2.310 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134985 675956265 /nfs/dbraw/zinc/95/62/65/675956265.db2.gz ICEHETOULDFPGK-UONOGXRCSA-N 1 0 355.460 2.397 20 5 FEBDRO C[C@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000582357424 671993481 /nfs/dbraw/zinc/99/34/81/671993481.db2.gz VQJFFIUKQQFLTD-AWEZNQCLSA-N 1 0 360.336 2.141 20 5 FEBDRO C[C@](CO)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000610447916 675972220 /nfs/dbraw/zinc/97/22/20/675972220.db2.gz PXYHEHIAEZQUKS-CQSZACIVSA-N 1 0 358.320 2.307 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000584351871 672179499 /nfs/dbraw/zinc/17/94/99/672179499.db2.gz RYXOGCNOSHURJS-GFCCVEGCSA-N 1 0 363.748 2.131 20 5 FEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610733445 675992657 /nfs/dbraw/zinc/99/26/57/675992657.db2.gz IHJACFRXSVNGOY-CQSZACIVSA-N 1 0 353.444 2.373 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173994992 672357036 /nfs/dbraw/zinc/35/70/36/672357036.db2.gz YRUFUKVYMVVKID-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1cc(F)cc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176715636 672376399 /nfs/dbraw/zinc/37/63/99/672376399.db2.gz NYNFBKUJCCHURT-STQMWFEESA-N 1 0 353.394 2.271 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000587971919 672443166 /nfs/dbraw/zinc/44/31/66/672443166.db2.gz ICQDJAIRMXRNMU-ZDUSSCGKSA-N 1 0 351.403 2.213 20 5 FEBDRO CC1=C[C@H](C)C[C@H](C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000589310498 672521457 /nfs/dbraw/zinc/52/14/57/672521457.db2.gz FFGHNRZLBAIFEU-ZFWWWQNUSA-N 1 0 367.471 2.455 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939059 672549241 /nfs/dbraw/zinc/54/92/41/672549241.db2.gz NPVKHZYLZVEJLZ-HZMBPMFUSA-N 1 0 362.304 2.302 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400409 672578785 /nfs/dbraw/zinc/57/87/85/672578785.db2.gz USAMLCQTXZVJBI-CABCVRRESA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590444955 672583406 /nfs/dbraw/zinc/58/34/06/672583406.db2.gz OLQDDGVOEWUURK-NOZJJQNGSA-N 1 0 354.204 2.133 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCCN(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519195 676042217 /nfs/dbraw/zinc/04/22/17/676042217.db2.gz CMRRQXQEXIVKEE-LBPRGKRZSA-N 1 0 359.373 2.431 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCS1(=O)=O)CCCC2 ZINC000591348329 672674490 /nfs/dbraw/zinc/67/44/90/672674490.db2.gz SSSJIIILDQGURO-KRWDZBQOSA-N 1 0 367.471 2.378 20 5 FEBDRO O=C(CC[NH2+]C1CCN(CC(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000591728782 672705079 /nfs/dbraw/zinc/70/50/79/672705079.db2.gz KDSJGNKGIMFJKR-UHFFFAOYSA-N 1 0 356.373 2.243 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000592392882 672797118 /nfs/dbraw/zinc/79/71/18/672797118.db2.gz BQKBQDBUHWOLAA-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249742659 672874241 /nfs/dbraw/zinc/87/42/41/672874241.db2.gz JUVGYWYLSCHONK-VXGBXAGGSA-N 1 0 350.375 2.353 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593558032 672942529 /nfs/dbraw/zinc/94/25/29/672942529.db2.gz HNUCVUAQGFGUIZ-UHFFFAOYSA-N 1 0 370.475 2.026 20 5 FEBDRO COc1cc(C[NH2+]CC2(CO)CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000612403992 676080703 /nfs/dbraw/zinc/08/07/03/676080703.db2.gz NLKYFLVZRHQRDH-UHFFFAOYSA-N 1 0 360.357 2.500 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593665528 672974089 /nfs/dbraw/zinc/97/40/89/672974089.db2.gz JBGJOCACTHJNSU-UHFFFAOYSA-N 1 0 355.460 2.264 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483273 676084101 /nfs/dbraw/zinc/08/41/01/676084101.db2.gz NQBZGAGUFPVZAS-CHWSQXEVSA-N 1 0 353.394 2.064 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593731192 672984293 /nfs/dbraw/zinc/98/42/93/672984293.db2.gz BCQMBPHXEQBGDU-FZMZJTMJSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c1C ZINC000593730963 672984474 /nfs/dbraw/zinc/98/44/74/672984474.db2.gz PMQYWLGICJYVLT-TZMCWYRMSA-N 1 0 355.460 2.350 20 5 FEBDRO [NH3+]CC1(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000593914434 673007886 /nfs/dbraw/zinc/00/78/86/673007886.db2.gz KWYJBLPPXWZETH-UHFFFAOYSA-N 1 0 356.220 2.145 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 ZINC000593913908 673007910 /nfs/dbraw/zinc/00/79/10/673007910.db2.gz YLRFFBJZIKANMH-XFJVYGCCSA-N 1 0 351.378 2.092 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612617005 676090476 /nfs/dbraw/zinc/09/04/76/676090476.db2.gz YJHBLRDACMGTSZ-CYBMUJFWSA-N 1 0 352.366 2.109 20 5 FEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594039563 673024950 /nfs/dbraw/zinc/02/49/50/673024950.db2.gz AFJSPNAMYFLNRY-HOTGVXAUSA-N 1 0 356.444 2.306 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000594103040 673031384 /nfs/dbraw/zinc/03/13/84/673031384.db2.gz UDRDPKAKRFUNQW-OCAPTIKFSA-N 1 0 362.249 2.489 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594101846 673031501 /nfs/dbraw/zinc/03/15/01/673031501.db2.gz BITTVYCDMMDEKU-GMXVVIOVSA-N 1 0 355.822 2.472 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000594198718 673042933 /nfs/dbraw/zinc/04/29/33/673042933.db2.gz VIZVKSPSZAUUCI-KGLIPLIRSA-N 1 0 351.378 2.489 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594524395 673095204 /nfs/dbraw/zinc/09/52/04/673095204.db2.gz JHAYTPLZIQWGAB-WCQYABFASA-N 1 0 360.336 2.373 20 5 FEBDRO [NH3+]C[C@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000594525737 673095515 /nfs/dbraw/zinc/09/55/15/673095515.db2.gz UVCWWMGRDPMOHH-VIFPVBQESA-N 1 0 374.241 2.302 20 5 FEBDRO CC(C)Oc1nc(NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000594577452 673101395 /nfs/dbraw/zinc/10/13/95/673101395.db2.gz ZZBMNBVLTPPPAL-CQSZACIVSA-N 1 0 352.435 2.690 20 5 FEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744016 673127183 /nfs/dbraw/zinc/12/71/83/673127183.db2.gz GCUZUJGTQCJERM-UHFFFAOYSA-N 1 0 366.443 2.009 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749832 673128514 /nfs/dbraw/zinc/12/85/14/673128514.db2.gz AWBWYHRCZMMSEG-MGPQQGTHSA-N 1 0 368.459 2.016 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000726607691 673131860 /nfs/dbraw/zinc/13/18/60/673131860.db2.gz XLGRSYCUAUCRSV-ALCCZGGFSA-N 1 0 367.471 2.402 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000594865374 673170781 /nfs/dbraw/zinc/17/07/81/673170781.db2.gz XNMJIPKSGYTECX-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000595017406 673186796 /nfs/dbraw/zinc/18/67/96/673186796.db2.gz VEKRFMMKOUTZMZ-OWCLPIDISA-N 1 0 367.471 2.287 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000595108252 673194348 /nfs/dbraw/zinc/19/43/48/673194348.db2.gz LTSIBWIAEDYGDS-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000595414746 673247075 /nfs/dbraw/zinc/24/70/75/673247075.db2.gz LQVNDTWFLDCVRS-ZDUSSCGKSA-N 1 0 361.851 2.175 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000462504608 673256160 /nfs/dbraw/zinc/25/61/60/673256160.db2.gz UMFBLQQHAVAZOF-GXSJLCMTSA-N 1 0 361.851 2.318 20 5 FEBDRO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000595615403 673273996 /nfs/dbraw/zinc/27/39/96/673273996.db2.gz MGIOOLYHZUICLN-OAHLLOKOSA-N 1 0 371.821 2.218 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814288 673292063 /nfs/dbraw/zinc/29/20/63/673292063.db2.gz LNVVPZXMDCVLSC-RYUDHWBXSA-N 1 0 359.423 2.275 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731500589 673332485 /nfs/dbraw/zinc/33/24/85/673332485.db2.gz MPYMHXMMDOVUOV-INIZCTEOSA-N 1 0 351.378 2.107 20 5 FEBDRO CCOC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCOCC1 ZINC000595889304 673335437 /nfs/dbraw/zinc/33/54/37/673335437.db2.gz XKRVGWGNMJBQLJ-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc(OC)c([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000596120718 673360792 /nfs/dbraw/zinc/36/07/92/673360792.db2.gz DIWYMBDDIYDTGS-CYBMUJFWSA-N 1 0 368.865 2.473 20 5 FEBDRO COc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596143066 673362781 /nfs/dbraw/zinc/36/27/81/673362781.db2.gz XGMIPMUGEAKJKL-GFCCVEGCSA-N 1 0 355.822 2.415 20 5 FEBDRO COc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596152927 673363769 /nfs/dbraw/zinc/36/37/69/673363769.db2.gz UIYACKFJGVPPJY-GFCCVEGCSA-N 1 0 355.822 2.415 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733159663 673401015 /nfs/dbraw/zinc/40/10/15/673401015.db2.gz WBNTYYNLVSIFCF-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000596872765 673421451 /nfs/dbraw/zinc/42/14/51/673421451.db2.gz ZPIKIKCRVBVQFF-SNVBAGLBSA-N 1 0 352.391 2.152 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000539274959 673481813 /nfs/dbraw/zinc/48/18/13/673481813.db2.gz BRDIZTIFLNYWLU-ZIAGYGMSSA-N 1 0 358.320 2.436 20 5 FEBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598559860 673583518 /nfs/dbraw/zinc/58/35/18/673583518.db2.gz IVBRZBXBKAONQK-LBPRGKRZSA-N 1 0 350.394 2.168 20 5 FEBDRO COC(=O)c1ccnc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598588792 673587109 /nfs/dbraw/zinc/58/71/09/673587109.db2.gz CNNHKFXKKSTGSB-CYBMUJFWSA-N 1 0 350.419 2.700 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598598685 673587843 /nfs/dbraw/zinc/58/78/43/673587843.db2.gz IOSWDNSZYLMJHB-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598602259 673588166 /nfs/dbraw/zinc/58/81/66/673588166.db2.gz ILTANDHGYICRAH-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000598667853 673596168 /nfs/dbraw/zinc/59/61/68/673596168.db2.gz NHGSPSYNYOKZIH-HZMBPMFUSA-N 1 0 354.204 2.311 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598716282 673602929 /nfs/dbraw/zinc/60/29/29/673602929.db2.gz HONCUHDSANAXSV-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[NH+]1CCC(NC(=S)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000739437483 673631726 /nfs/dbraw/zinc/63/17/26/673631726.db2.gz NEDYAQOVPLCHKM-UHFFFAOYSA-N 1 0 350.488 2.476 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000543673266 673660555 /nfs/dbraw/zinc/66/05/55/673660555.db2.gz MLWCEKATLYFQAF-TZMCWYRMSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464715 673678617 /nfs/dbraw/zinc/67/86/17/673678617.db2.gz QZUCGXJQUNNYSU-HNNXBMFYSA-N 1 0 353.444 2.198 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599496857 673684795 /nfs/dbraw/zinc/68/47/95/673684795.db2.gz LISYXGKHLVWXSO-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599542823 673689712 /nfs/dbraw/zinc/68/97/12/673689712.db2.gz DOKTTXGSFHBNIB-OAHLLOKOSA-N 1 0 350.415 2.227 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720662 673695488 /nfs/dbraw/zinc/69/54/88/673695488.db2.gz ISUCSCUCRIMOPU-CABZTGNLSA-N 1 0 350.375 2.332 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000544381519 673708940 /nfs/dbraw/zinc/70/89/40/673708940.db2.gz ALCNXDZSCPHWTA-IOASZLSFSA-N 1 0 355.460 2.287 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)C1CC1 ZINC000544386252 673709191 /nfs/dbraw/zinc/70/91/91/673709191.db2.gz KENSERZJHUNJNE-CVEARBPZSA-N 1 0 352.456 2.473 20 5 FEBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572781 673718595 /nfs/dbraw/zinc/71/85/95/673718595.db2.gz OJUGYTQXVQJGGL-XJKSGUPXSA-N 1 0 356.444 2.162 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000599930006 673728346 /nfs/dbraw/zinc/72/83/46/673728346.db2.gz FVZQAVAERZLDGI-UHFFFAOYSA-N 1 0 350.419 2.023 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544729579 673729531 /nfs/dbraw/zinc/72/95/31/673729531.db2.gz UKLVOPUZOXQKLU-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599991916 673732579 /nfs/dbraw/zinc/73/25/79/673732579.db2.gz MSXXSIFEKFNWAC-IMRBUKKESA-N 1 0 368.231 2.298 20 5 FEBDRO CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000600410104 673765431 /nfs/dbraw/zinc/76/54/31/673765431.db2.gz LZZUPYWSHNQCTD-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C23CCC3)c(F)c1N1CCOCC1 ZINC000600675956 673790920 /nfs/dbraw/zinc/79/09/20/673790920.db2.gz QGXIONUQHLSIGJ-CQSZACIVSA-N 1 0 350.394 2.267 20 5 FEBDRO [NH3+]C[C@@H]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000600742987 673795999 /nfs/dbraw/zinc/79/59/99/673795999.db2.gz KVWIGTMEJXCITL-HZMBPMFUSA-N 1 0 360.336 2.135 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000601352441 673846915 /nfs/dbraw/zinc/84/69/15/673846915.db2.gz VBCOBCUWVCVJLZ-FZMZJTMJSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355909 673847084 /nfs/dbraw/zinc/84/70/84/673847084.db2.gz BAJAHIOBTPIOPN-AAEUAGOBSA-N 1 0 359.423 2.003 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000601387182 673853183 /nfs/dbraw/zinc/85/31/83/673853183.db2.gz OYWFCQQHYXQXKD-NSHDSACASA-N 1 0 361.489 2.316 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000601437886 673862426 /nfs/dbraw/zinc/86/24/26/673862426.db2.gz WOKRHNYNWQMYOZ-ZIAGYGMSSA-N 1 0 353.419 2.386 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000601497210 673870738 /nfs/dbraw/zinc/87/07/38/673870738.db2.gz QDPJTYYGAYPFGI-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO CS(=O)(=O)CCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602692725 673909694 /nfs/dbraw/zinc/90/96/94/673909694.db2.gz ALEINFTZBUTCRP-UHFFFAOYSA-N 1 0 371.278 2.333 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccsc1 ZINC000547730368 673884402 /nfs/dbraw/zinc/88/44/02/673884402.db2.gz RYVPRBIDIQGVRE-CYBMUJFWSA-N 1 0 363.443 2.446 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528008 673907437 /nfs/dbraw/zinc/90/74/37/673907437.db2.gz AHMAVMWNDPGRCC-YGRLFVJLSA-N 1 0 353.806 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nccn3C(F)F)CC2)cn1 ZINC000602525753 673907447 /nfs/dbraw/zinc/90/74/47/673907447.db2.gz ARIGHKHFJIOVGQ-UHFFFAOYSA-N 1 0 352.345 2.340 20 5 FEBDRO C[C@@H]1CC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555264 673908036 /nfs/dbraw/zinc/90/80/36/673908036.db2.gz PTPPUXMNMQYISJ-ZJUUUORDSA-N 1 0 361.320 2.406 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602611834 673908807 /nfs/dbraw/zinc/90/88/07/673908807.db2.gz GUEFSEUDZHPVCT-CHWSQXEVSA-N 1 0 350.419 2.136 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(S(=O)(=O)CCn3ccnc3)C2)cc1 ZINC000603363173 673926453 /nfs/dbraw/zinc/92/64/53/673926453.db2.gz XLNVVXAVOXHWQR-HNNXBMFYSA-N 1 0 364.427 2.001 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C2CCC([NH3+])CC2)cc1OC ZINC000818529658 675223462 /nfs/dbraw/zinc/22/34/62/675223462.db2.gz WAWGLOPKWQVPEJ-UHFFFAOYSA-N 1 0 351.403 2.344 20 5 FEBDRO Cc1c(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818613392 675228576 /nfs/dbraw/zinc/22/85/76/675228576.db2.gz NJKFUNQHNVVYEJ-UMNHJUIQSA-N 1 0 350.375 2.257 20 5 FEBDRO C[C@H](COc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818970671 675247900 /nfs/dbraw/zinc/24/79/00/675247900.db2.gz XRDMOKVDZVMFCX-CQSZACIVSA-N 1 0 364.423 2.426 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000819198480 675269134 /nfs/dbraw/zinc/26/91/34/675269134.db2.gz SAVQOPGNQAHWRI-OJLVUWQFSA-N 1 0 370.496 2.304 20 5 FEBDRO Cc1c(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819258996 675274817 /nfs/dbraw/zinc/27/48/17/675274817.db2.gz CVTVVFVZLPAUBV-QGZVFWFLSA-N 1 0 353.419 2.269 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(c3cccc(Cl)c3)CC2)c1 ZINC000567262660 675279600 /nfs/dbraw/zinc/27/96/00/675279600.db2.gz ZDCFTQJZRUDJIR-OAHLLOKOSA-N 1 0 350.806 2.127 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761551 676226529 /nfs/dbraw/zinc/22/65/29/676226529.db2.gz CNCKZQSLYDTDHN-ZBFHGGJFSA-N 1 0 352.456 2.330 20 5 FEBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000820769646 675386348 /nfs/dbraw/zinc/38/63/48/675386348.db2.gz JGNAGEGDLDTKHU-UHFFFAOYSA-N 1 0 355.822 2.223 20 5 FEBDRO COc1cc(Cc2noc(CCCCC[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000823147065 675532418 /nfs/dbraw/zinc/53/24/18/675532418.db2.gz UQEROFHMEVKQMG-UHFFFAOYSA-N 1 0 350.375 2.257 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)CCC(C)(C)[N+](=O)[O-])CCCC2)CC1 ZINC000823184759 675534880 /nfs/dbraw/zinc/53/48/80/675534880.db2.gz GUCNQZLBVHGHKZ-UHFFFAOYSA-N 1 0 355.479 2.362 20 5 FEBDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1)C(F)(F)F ZINC000824829791 675624213 /nfs/dbraw/zinc/62/42/13/675624213.db2.gz RBCJUBBYELKWOU-STQMWFEESA-N 1 0 357.332 2.437 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CCN1 ZINC000825148356 675639035 /nfs/dbraw/zinc/63/90/35/675639035.db2.gz UEGFJOVASXBXCU-CQSZACIVSA-N 1 0 366.849 2.035 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000825669877 675663167 /nfs/dbraw/zinc/66/31/67/675663167.db2.gz DINKVALOJNTWIP-GFCCVEGCSA-N 1 0 352.410 2.403 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000826757951 675704077 /nfs/dbraw/zinc/70/40/77/675704077.db2.gz IJEUUJZBDUMXDB-UHFFFAOYSA-N 1 0 354.382 2.154 20 5 FEBDRO C[NH+]1CCC(OCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000827779243 675777735 /nfs/dbraw/zinc/77/77/35/675777735.db2.gz VCMMZADENUQSRM-UHFFFAOYSA-N 1 0 359.785 2.114 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000603640548 675800444 /nfs/dbraw/zinc/80/04/44/675800444.db2.gz YFXKMVVJWSVZLN-UONOGXRCSA-N 1 0 355.460 2.444 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959028 675855253 /nfs/dbraw/zinc/85/52/53/675855253.db2.gz KMGXDTXEXGQIGQ-WDEREUQCSA-N 1 0 356.785 2.278 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000619477714 676379316 /nfs/dbraw/zinc/37/93/16/676379316.db2.gz FARZBSOBQUHLOK-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483809 676379910 /nfs/dbraw/zinc/37/99/10/676379910.db2.gz QTXLNBSPAKGGDT-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839590754 680764158 /nfs/dbraw/zinc/76/41/58/680764158.db2.gz CZWDAJRUTICMAM-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000839799593 680779938 /nfs/dbraw/zinc/77/99/38/680779938.db2.gz QONOFVJAFIDZEZ-LBPRGKRZSA-N 1 0 350.375 2.273 20 5 FEBDRO CS[C@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@@H]1[NH+](C)C ZINC000831299753 679962680 /nfs/dbraw/zinc/96/26/80/679962680.db2.gz MIDAKYKNJDVEDE-QWRGUYRKSA-N 1 0 359.398 2.299 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2c(Cl)oc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139630 680100978 /nfs/dbraw/zinc/10/09/78/680100978.db2.gz IQHFBBHAJJHJTK-BGOOENEXSA-N 1 0 363.801 2.488 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138824 680100987 /nfs/dbraw/zinc/10/09/87/680100987.db2.gz BXKHKXJWEYCJRP-HKUMRIAESA-N 1 0 358.225 2.395 20 5 FEBDRO C[C@H]([NH3+])C1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000912151628 685319959 /nfs/dbraw/zinc/31/99/59/685319959.db2.gz ZIUHBGLCZMOGJK-NSHDSACASA-N 1 0 355.822 2.351 20 5 FEBDRO CC(C)(C)c1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC000983656525 680318751 /nfs/dbraw/zinc/31/87/51/680318751.db2.gz DKBDMVQOPKHGOJ-HBJVGIJOSA-N 1 0 366.487 2.090 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000996429297 680332406 /nfs/dbraw/zinc/33/24/06/680332406.db2.gz OQBQRLHLTWXBDP-IAQYHMDHSA-N 1 0 355.797 2.225 20 5 FEBDRO Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2)s1 ZINC001034816930 680440141 /nfs/dbraw/zinc/44/01/41/680440141.db2.gz WXVGDLWFZVJUNA-HZPDHXFCSA-N 1 0 360.439 2.023 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1Cl ZINC000836782886 680513256 /nfs/dbraw/zinc/51/32/56/680513256.db2.gz LIRZAVZFZAOUAT-CYBMUJFWSA-N 1 0 368.865 2.312 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841191212 680868277 /nfs/dbraw/zinc/86/82/77/680868277.db2.gz WLYRNBLZPGGQIH-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841193308 680868499 /nfs/dbraw/zinc/86/84/99/680868499.db2.gz QYZGOZMTPKCPGW-GFCCVEGCSA-N 1 0 356.810 2.019 20 5 FEBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841523794 680891452 /nfs/dbraw/zinc/89/14/52/680891452.db2.gz GIIGLPZUYGKACQ-MRVPVSSYSA-N 1 0 368.242 2.132 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000769706652 680992156 /nfs/dbraw/zinc/99/21/56/680992156.db2.gz CCOFSAKRBKPJFM-UHFFFAOYSA-N 1 0 363.443 2.451 20 5 FEBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843257310 680994296 /nfs/dbraw/zinc/99/42/96/680994296.db2.gz OHQIGDULEHKFGE-VIFPVBQESA-N 1 0 360.183 2.368 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843379647 681000611 /nfs/dbraw/zinc/00/06/11/681000611.db2.gz IDOIJHOWGPKRIL-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001050325573 681045225 /nfs/dbraw/zinc/04/52/25/681045225.db2.gz IBYYQECWOUGVKD-IXYNUQLISA-N 1 0 366.487 2.190 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000771769059 681068757 /nfs/dbraw/zinc/06/87/57/681068757.db2.gz MXUDAADPVUFQBN-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000845741591 681149978 /nfs/dbraw/zinc/14/99/78/681149978.db2.gz UBOULGYYWIPJPG-LLVKDONJSA-N 1 0 350.371 2.396 20 5 FEBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774154275 681170606 /nfs/dbraw/zinc/17/06/06/681170606.db2.gz DKXRSFQXOVVGRY-OLZOCXBDSA-N 1 0 353.423 2.389 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000846232732 681206860 /nfs/dbraw/zinc/20/68/60/681206860.db2.gz SXOYYNYFZLKQBB-CMPLNLGQSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000846234227 681207187 /nfs/dbraw/zinc/20/71/87/681207187.db2.gz KWVYDJKBEPOMNT-UHFFFAOYSA-N 1 0 361.851 2.225 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932264552 681209083 /nfs/dbraw/zinc/20/90/83/681209083.db2.gz ZOIQAGSZAYTBON-GFCCVEGCSA-N 1 0 355.822 2.018 20 5 FEBDRO Cc1c(C(=O)N2CCC(CC[NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000846694856 681276223 /nfs/dbraw/zinc/27/62/23/681276223.db2.gz DGLYNIAXVDGJAG-UHFFFAOYSA-N 1 0 350.375 2.321 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000912714884 685424865 /nfs/dbraw/zinc/42/48/65/685424865.db2.gz IOCUPRLPKDTTEY-LBPRGKRZSA-N 1 0 371.796 2.059 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000775815103 681338429 /nfs/dbraw/zinc/33/84/29/681338429.db2.gz ISOBJUJWOPFGCA-INWMFGNUSA-N 1 0 351.403 2.085 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000775999189 681355868 /nfs/dbraw/zinc/35/58/68/681355868.db2.gz HRNWAKXZOXNZRW-KBPBESRZSA-N 1 0 372.878 2.164 20 5 FEBDRO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000933485373 681419764 /nfs/dbraw/zinc/41/97/64/681419764.db2.gz CDUMPCRSLJEOMR-JTQLQIEISA-N 1 0 371.235 2.106 20 5 FEBDRO COCC[NH+]1CCC(OC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000847880920 681445235 /nfs/dbraw/zinc/44/52/35/681445235.db2.gz CPWSBGTZUIBDJZ-UHFFFAOYSA-N 1 0 354.428 2.341 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000934164860 681518023 /nfs/dbraw/zinc/51/80/23/681518023.db2.gz KKKPTGZXACCGLC-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848591092 681585461 /nfs/dbraw/zinc/58/54/61/681585461.db2.gz JSLLZEUPJVYXEF-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778273226 681591988 /nfs/dbraw/zinc/59/19/88/681591988.db2.gz PPPCMGOUAGSYCA-UHFFFAOYSA-N 1 0 351.432 2.451 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000778310755 681595820 /nfs/dbraw/zinc/59/58/20/681595820.db2.gz RUDOOJRQNQOOSC-AWEZNQCLSA-N 1 0 359.398 2.240 20 5 FEBDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000934761471 681625663 /nfs/dbraw/zinc/62/56/63/681625663.db2.gz YEDRFRVYURUDQE-DEOSSOPVSA-N 1 0 354.476 2.381 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000780601492 681848727 /nfs/dbraw/zinc/84/87/27/681848727.db2.gz WVZUGEXHIVFDHZ-LLVKDONJSA-N 1 0 350.444 2.486 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000780716198 681864389 /nfs/dbraw/zinc/86/43/89/681864389.db2.gz PMZYLOJEPOFGNW-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000850401937 681898331 /nfs/dbraw/zinc/89/83/31/681898331.db2.gz KIGDBQFXMGBJJH-UHFFFAOYSA-N 1 0 358.441 2.042 20 5 FEBDRO COc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1[N+](=O)[O-] ZINC000850590765 681921859 /nfs/dbraw/zinc/92/18/59/681921859.db2.gz AVQGMPZBPURLOL-TZMCWYRMSA-N 1 0 371.459 2.132 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851813062 682144491 /nfs/dbraw/zinc/14/44/91/682144491.db2.gz PDOMJKHVMFRDLO-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609349 682159220 /nfs/dbraw/zinc/15/92/20/682159220.db2.gz WBVBFCFSCWTRAO-INIZCTEOSA-N 1 0 368.865 2.281 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000917082688 685529548 /nfs/dbraw/zinc/52/95/48/685529548.db2.gz YAJWSOUFVXFQGL-STQMWFEESA-N 1 0 350.375 2.342 20 5 FEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584642 682304987 /nfs/dbraw/zinc/30/49/87/682304987.db2.gz PJKTVMJCRTXPRT-CUOATXAZSA-N 1 0 353.806 2.468 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000853132520 682380857 /nfs/dbraw/zinc/38/08/57/682380857.db2.gz WLJTWSUSTOHOAX-GJZGRUSLSA-N 1 0 356.300 2.369 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NCCC[NH+]2CCC(O)CC2)cc1Cl ZINC000853201538 682390897 /nfs/dbraw/zinc/39/08/97/682390897.db2.gz VHRMPENDCZWDBX-UHFFFAOYSA-N 1 0 371.821 2.294 20 5 FEBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC2 ZINC000786798997 682406443 /nfs/dbraw/zinc/40/64/43/682406443.db2.gz HDKXZTBDRAFACO-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000853966389 682495462 /nfs/dbraw/zinc/49/54/62/682495462.db2.gz UADPINKTWNCMPS-ZDUSSCGKSA-N 1 0 370.247 2.393 20 5 FEBDRO C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788651783 682547003 /nfs/dbraw/zinc/54/70/03/682547003.db2.gz LYYTZYMLSKPLPS-NSHDSACASA-N 1 0 364.427 2.399 20 5 FEBDRO Nc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000854494639 682558657 /nfs/dbraw/zinc/55/86/57/682558657.db2.gz DNZXJGVJOOCNFL-ZDUSSCGKSA-N 1 0 350.444 2.333 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2cc(C=O)ccc2[N+](=O)[O-])cc1 ZINC000790014621 682646734 /nfs/dbraw/zinc/64/67/34/682646734.db2.gz JWWCHSDSCPFKHH-UHFFFAOYSA-N 1 0 364.379 2.237 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC000790599354 682687122 /nfs/dbraw/zinc/68/71/22/682687122.db2.gz WPSWDIFMSTWDGB-UHFFFAOYSA-N 1 0 369.784 2.327 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000790836494 682705505 /nfs/dbraw/zinc/70/55/05/682705505.db2.gz RHPZVCRCZLTHSK-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000856282520 682760891 /nfs/dbraw/zinc/76/08/91/682760891.db2.gz DOAFGHFZMYVTLG-UHFFFAOYSA-N 1 0 351.403 2.023 20 5 FEBDRO Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000858133370 682937250 /nfs/dbraw/zinc/93/72/50/682937250.db2.gz UHPQAVALKMTJAV-UHFFFAOYSA-N 1 0 355.192 2.259 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000859276766 683070859 /nfs/dbraw/zinc/07/08/59/683070859.db2.gz OATKAFJMWOOTCD-ZDUSSCGKSA-N 1 0 371.434 2.419 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1F ZINC000859348167 683089797 /nfs/dbraw/zinc/08/97/97/683089797.db2.gz YATSVUFGDGRUDR-CYBMUJFWSA-N 1 0 371.434 2.338 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795940629 683110833 /nfs/dbraw/zinc/11/08/33/683110833.db2.gz VBAYEDMFHBRMMX-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859533087 683124289 /nfs/dbraw/zinc/12/42/89/683124289.db2.gz DZGOOGNQYBWCAU-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553014 683170688 /nfs/dbraw/zinc/17/06/88/683170688.db2.gz NOCXTSOKOXWBKH-CVEARBPZSA-N 1 0 351.403 2.181 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928434153 683449864 /nfs/dbraw/zinc/44/98/64/683449864.db2.gz HMBSHPOGLRQQGT-RNCFNFMXSA-N 1 0 356.220 2.488 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823654 683480324 /nfs/dbraw/zinc/48/03/24/683480324.db2.gz AFYPYLFMZOHZRC-GXTWGEPZSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000862031420 683518958 /nfs/dbraw/zinc/51/89/58/683518958.db2.gz GNBVCBILGCTEFA-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000930720429 683775949 /nfs/dbraw/zinc/77/59/49/683775949.db2.gz CWOPQLKJWBIIPC-ZWNOBZJWSA-N 1 0 359.220 2.234 20 5 FEBDRO C[N@H+](CCCC(C)(F)F)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000930753366 683780361 /nfs/dbraw/zinc/78/03/61/683780361.db2.gz ZPFYEWYCXAJRFS-UHFFFAOYSA-N 1 0 365.402 2.240 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922880208 683796614 /nfs/dbraw/zinc/79/66/14/683796614.db2.gz HYHKKLYLQQHPEI-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1F ZINC000865545525 683996453 /nfs/dbraw/zinc/99/64/53/683996453.db2.gz AVZAVDOSCDFRJL-LBPRGKRZSA-N 1 0 353.394 2.139 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866073314 684068724 /nfs/dbraw/zinc/06/87/24/684068724.db2.gz OJVHSVQZXVUEDA-CMPLNLGQSA-N 1 0 370.247 2.499 20 5 FEBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866715305 684138502 /nfs/dbraw/zinc/13/85/02/684138502.db2.gz AQZGWJXOEPMWFW-BXUZGUMPSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1F ZINC000866866344 684170824 /nfs/dbraw/zinc/17/08/24/684170824.db2.gz NHYPETRKJCPWPK-WCQYABFASA-N 1 0 359.423 2.003 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866892532 684175516 /nfs/dbraw/zinc/17/55/16/684175516.db2.gz VEHPSQFISFCGHF-CYBMUJFWSA-N 1 0 373.450 2.395 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000867308826 684243987 /nfs/dbraw/zinc/24/39/87/684243987.db2.gz NYLCOQSPVNFTPV-ZYHUDNBSSA-N 1 0 361.851 2.270 20 5 FEBDRO C[NH+](C)CC1CN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000867323668 684248044 /nfs/dbraw/zinc/24/80/44/684248044.db2.gz HXDANZJLFNXRTO-UHFFFAOYSA-N 1 0 368.242 2.084 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931610390 684312833 /nfs/dbraw/zinc/31/28/33/684312833.db2.gz ONWHGMJRCCYXFW-CYBMUJFWSA-N 1 0 352.366 2.109 20 5 FEBDRO Nc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000931654192 684320897 /nfs/dbraw/zinc/32/08/97/684320897.db2.gz YYQBTHNSGPKTNY-VIFPVBQESA-N 1 0 356.785 2.280 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000867619618 684333711 /nfs/dbraw/zinc/33/37/11/684333711.db2.gz KTZJLCKIOHTLSU-UHFFFAOYSA-N 1 0 367.471 2.232 20 5 FEBDRO C[C@H]1[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000924009055 684387595 /nfs/dbraw/zinc/38/75/95/684387595.db2.gz SLJGGJRLFAHWMM-JOYOIKCWSA-N 1 0 371.235 2.249 20 5 FEBDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000924801536 684494348 /nfs/dbraw/zinc/49/43/48/684494348.db2.gz GCUYMTBESYYFLY-AWEZNQCLSA-N 1 0 366.805 2.155 20 5 FEBDRO CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000869240360 684596474 /nfs/dbraw/zinc/59/64/74/684596474.db2.gz ZPLVZNSRGZRQBM-GFCCVEGCSA-N 1 0 370.247 2.452 20 5 FEBDRO Cc1nn(CCC(=O)NC2CCC(C)([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000871358119 684807704 /nfs/dbraw/zinc/80/77/04/684807704.db2.gz IMUDOCVMKQYGNN-UHFFFAOYSA-N 1 0 351.451 2.177 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000872049410 684916860 /nfs/dbraw/zinc/91/68/60/684916860.db2.gz SDHAFBKCOLTBPO-LLVKDONJSA-N 1 0 362.473 2.029 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665111 685001365 /nfs/dbraw/zinc/00/13/65/685001365.db2.gz OVZHHLKBYKZEDN-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@@](O)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1F ZINC000877041701 686316185 /nfs/dbraw/zinc/31/61/85/686316185.db2.gz ZSRUUTQURFVMIB-ZEPSKSRBSA-N 1 0 352.341 2.270 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116617 686327682 /nfs/dbraw/zinc/32/76/82/686327682.db2.gz RLOVRLJOTHVIQM-AWEZNQCLSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877278209 686347853 /nfs/dbraw/zinc/34/78/53/686347853.db2.gz RJPPSRZNODJHTN-STQMWFEESA-N 1 0 354.204 2.324 20 5 FEBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000877293026 686349094 /nfs/dbraw/zinc/34/90/94/686349094.db2.gz WTWFTIXFZXTCJL-KYZUINATSA-N 1 0 360.183 2.496 20 5 FEBDRO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000877392017 686371303 /nfs/dbraw/zinc/37/13/03/686371303.db2.gz KVEPXSJJDZBPJW-OCCSQVGLSA-N 1 0 354.204 2.372 20 5 FEBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000878614954 686619404 /nfs/dbraw/zinc/61/94/04/686619404.db2.gz HYYKJSKSVPCVHW-CQSZACIVSA-N 1 0 353.423 2.043 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000879595831 686865462 /nfs/dbraw/zinc/86/54/62/686865462.db2.gz GDPNAPPVIITIFF-UHFFFAOYSA-N 1 0 354.401 2.085 20 5 FEBDRO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000879708436 686892674 /nfs/dbraw/zinc/89/26/74/686892674.db2.gz KWKMGGJUMDQRLX-UHFFFAOYSA-N 1 0 371.821 2.314 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000881469779 687136541 /nfs/dbraw/zinc/13/65/41/687136541.db2.gz LWBVWJICAQSPCP-CYBMUJFWSA-N 1 0 353.444 2.338 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000882539948 687388967 /nfs/dbraw/zinc/38/89/67/687388967.db2.gz GTTMLFAJQNRZSD-LBPRGKRZSA-N 1 0 353.394 2.432 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000883366229 687614702 /nfs/dbraw/zinc/61/47/02/687614702.db2.gz PEKMAJKJQDBWIQ-LLVKDONJSA-N 1 0 374.262 2.260 20 5 FEBDRO CSc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859078 688170540 /nfs/dbraw/zinc/17/05/40/688170540.db2.gz SXHHITCDUBBFQV-AWEZNQCLSA-N 1 0 365.455 2.300 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885889115 688178951 /nfs/dbraw/zinc/17/89/51/688178951.db2.gz XHYFOBRCDCYSLZ-ZDUSSCGKSA-N 1 0 351.378 2.025 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287071 688577635 /nfs/dbraw/zinc/57/76/35/688577635.db2.gz UBPISWVGJSIBFI-NSHDSACASA-N 1 0 356.810 2.399 20 5 FEBDRO CN(CC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726618 688813040 /nfs/dbraw/zinc/81/30/40/688813040.db2.gz XJFLHODCWMSXPX-UHFFFAOYSA-N 1 0 359.224 2.060 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000890079678 688876145 /nfs/dbraw/zinc/87/61/45/688876145.db2.gz IINSJWPUDHBHJB-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891668356 689089930 /nfs/dbraw/zinc/08/99/30/689089930.db2.gz LWCMXMASJBJJKA-SNVBAGLBSA-N 1 0 362.764 2.292 20 5 FEBDRO CC[NH2+][C@H](C)CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892099083 689150041 /nfs/dbraw/zinc/15/00/41/689150041.db2.gz BCGJPUYXSKPSBD-SECBINFHSA-N 1 0 359.224 2.155 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000893870529 689420796 /nfs/dbraw/zinc/42/07/96/689420796.db2.gz CGMQJDMRDRZSKM-ZDUSSCGKSA-N 1 0 353.444 2.047 20 5 FEBDRO CCC[C@H]1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000895056660 689649587 /nfs/dbraw/zinc/64/95/87/689649587.db2.gz BWAIWNJSRPQSQE-JTQLQIEISA-N 1 0 363.386 2.169 20 5 FEBDRO Cc1c(Br)c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248258 689684202 /nfs/dbraw/zinc/68/42/02/689684202.db2.gz ZJGCVMMJMIWGSZ-PWSUYJOCSA-N 1 0 372.267 2.107 20 5 FEBDRO C[C@](CO)([NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000895752454 689766248 /nfs/dbraw/zinc/76/62/48/689766248.db2.gz JCFCRIQDRVQYLZ-HRCADAONSA-N 1 0 354.378 2.026 20 5 FEBDRO CC(C)Oc1nc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896523939 689885328 /nfs/dbraw/zinc/88/53/28/689885328.db2.gz CAVKBQUUTIZXLF-AWEZNQCLSA-N 1 0 350.419 2.442 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896547472 689890360 /nfs/dbraw/zinc/89/03/60/689890360.db2.gz BYJSJBIJUZYVNN-IUODEOHRSA-N 1 0 366.487 2.071 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900049903 690467112 /nfs/dbraw/zinc/46/71/12/690467112.db2.gz SUVXBAGSNACNHQ-MRXNPFEDSA-N 1 0 355.822 2.053 20 5 FEBDRO [NH3+][C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C(F)(F)F ZINC000903982791 690992048 /nfs/dbraw/zinc/99/20/48/690992048.db2.gz VIKMNGRFJSQKBI-WDEREUQCSA-N 1 0 361.320 2.078 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000905424334 691116986 /nfs/dbraw/zinc/11/69/86/691116986.db2.gz DEISBQMZJYRHIJ-DLBZAZTESA-N 1 0 350.415 2.194 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000905433522 691118608 /nfs/dbraw/zinc/11/86/08/691118608.db2.gz YBFKHYWXYLFNLO-CYBMUJFWSA-N 1 0 351.790 2.481 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000905568988 691143153 /nfs/dbraw/zinc/14/31/53/691143153.db2.gz OGKZIVDVGKEZHZ-ZDUSSCGKSA-N 1 0 363.439 2.112 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000905633535 691154467 /nfs/dbraw/zinc/15/44/67/691154467.db2.gz LJMIFYPCGKDAFK-UONOGXRCSA-N 1 0 352.485 2.461 20 5 FEBDRO CC1(C)CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000905685318 691160987 /nfs/dbraw/zinc/16/09/87/691160987.db2.gz FZJONLQAJZUDSE-CQSZACIVSA-N 1 0 356.444 2.306 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813102 720073144 /nfs/dbraw/zinc/07/31/44/720073144.db2.gz SMSVRQULBPSWCP-LPHOPBHVSA-N 1 0 360.458 2.483 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813103 720073425 /nfs/dbraw/zinc/07/34/25/720073425.db2.gz SMSVRQULBPSWCP-QFBILLFUSA-N 1 0 360.458 2.483 20 5 FEBDRO Cc1c(C)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771721 721149910 /nfs/dbraw/zinc/14/99/10/721149910.db2.gz SRGKFOWIDORSPP-SJORKVTESA-N 1 0 370.457 2.298 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164774693 721301492 /nfs/dbraw/zinc/30/14/92/721301492.db2.gz HVILASLIVWDIDZ-UHFFFAOYSA-N 1 0 360.414 2.089 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932468 721858459 /nfs/dbraw/zinc/85/84/59/721858459.db2.gz XZSQQONGHBSNNC-ROUUACIJSA-N 1 0 355.442 2.358 20 5 FEBDRO CC(C)Oc1nc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000519776442 819055788 /nfs/dbraw/zinc/05/57/88/819055788.db2.gz OWMSUMHIKDYYRT-INIZCTEOSA-N 1 0 365.478 2.461 20 5 FEBDRO COC(=O)c1cc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000015140317 539612938 /nfs/dbraw/zinc/61/29/38/539612938.db2.gz ZVEMCZYCTMFSNS-UHFFFAOYSA-N 1 0 371.393 2.373 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000016599380 539634573 /nfs/dbraw/zinc/63/45/73/539634573.db2.gz ZQMGJXPWCPZNHK-QGZVFWFLSA-N 1 0 371.393 2.414 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cn2)CC1 ZINC000022874641 539701475 /nfs/dbraw/zinc/70/14/75/539701475.db2.gz PNJBRVSFNANFDW-UHFFFAOYSA-N 1 0 372.385 2.262 20 5 FEBDRO C[NH+](C)Cc1ccccc1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000031232392 539902183 /nfs/dbraw/zinc/90/21/83/539902183.db2.gz PACGNWOGSGJWAJ-UHFFFAOYSA-N 1 0 356.382 2.025 20 5 FEBDRO CSc1ccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268196 539932746 /nfs/dbraw/zinc/93/27/46/539932746.db2.gz OAWPCXBWZQXMLV-AWEZNQCLSA-N 1 0 367.471 2.403 20 5 FEBDRO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032355277 539934757 /nfs/dbraw/zinc/93/47/57/539934757.db2.gz JNNQKJSEPOZEDI-UHFFFAOYSA-N 1 0 365.393 2.259 20 5 FEBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000046230751 540248486 /nfs/dbraw/zinc/24/84/86/540248486.db2.gz HODYGMWDOYFDGX-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO COc1cc(CCNC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000051208899 540426355 /nfs/dbraw/zinc/42/63/55/540426355.db2.gz CEDHYXWMTITYIF-UHFFFAOYSA-N 1 0 365.430 2.003 20 5 FEBDRO CCOC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052870053 540496277 /nfs/dbraw/zinc/49/62/77/540496277.db2.gz NFNIEOLVFQORBG-ZDUSSCGKSA-N 1 0 364.402 2.134 20 5 FEBDRO O=C(NCCCC[NH+]1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000053449539 540535587 /nfs/dbraw/zinc/53/55/87/540535587.db2.gz QBZKFMOJVKIHLH-UHFFFAOYSA-N 1 0 362.430 2.011 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887304 540558690 /nfs/dbraw/zinc/55/86/90/540558690.db2.gz ZIBNWEIZULBUTG-SNVBAGLBSA-N 1 0 373.356 2.419 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000054101071 540569064 /nfs/dbraw/zinc/56/90/64/540569064.db2.gz YZIFICVKIYWHSK-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO C[NH+]1CCN(CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000055194119 540634218 /nfs/dbraw/zinc/63/42/18/540634218.db2.gz YNPMHVZUYBQVCA-UHFFFAOYSA-N 1 0 362.474 2.260 20 5 FEBDRO C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 ZINC000058737451 540854848 /nfs/dbraw/zinc/85/48/48/540854848.db2.gz FDMZNWMDAPOSNS-UHFFFAOYSA-N 1 0 370.365 2.317 20 5 FEBDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000061045164 541125756 /nfs/dbraw/zinc/12/57/56/541125756.db2.gz DOYOZZIIXRJULN-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000063489968 541170385 /nfs/dbraw/zinc/17/03/85/541170385.db2.gz JGXDQLFENJVVDW-AWEZNQCLSA-N 1 0 357.414 2.241 20 5 FEBDRO CNS(=O)(=O)c1ccc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586743 541246851 /nfs/dbraw/zinc/24/68/51/541246851.db2.gz FHEOGOUHEBVLSS-OLZOCXBDSA-N 1 0 370.475 2.035 20 5 FEBDRO COc1cc(OCC(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000066015710 541277602 /nfs/dbraw/zinc/27/76/02/541277602.db2.gz YBWLGNUHKQZXGT-UHFFFAOYSA-N 1 0 365.430 2.363 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1ccccc1 ZINC000066270044 541296497 /nfs/dbraw/zinc/29/64/97/541296497.db2.gz JVYGCYPOOZIOBF-INIZCTEOSA-N 1 0 371.393 2.399 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000066662789 541356466 /nfs/dbraw/zinc/35/64/66/541356466.db2.gz UUTMOFFGNHTALD-UHFFFAOYSA-N 1 0 372.429 2.499 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000067785429 541513541 /nfs/dbraw/zinc/51/35/41/541513541.db2.gz UQCHNNRGSBNVNZ-UHFFFAOYSA-N 1 0 356.382 2.108 20 5 FEBDRO COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000067909455 541527874 /nfs/dbraw/zinc/52/78/74/541527874.db2.gz DDTLTDABTMXHPU-KRWDZBQOSA-N 1 0 371.437 2.435 20 5 FEBDRO Cc1sc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068095587 541547947 /nfs/dbraw/zinc/54/79/47/541547947.db2.gz ZXAXYUXHQICSAI-LLVKDONJSA-N 1 0 353.444 2.290 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000068902470 541638287 /nfs/dbraw/zinc/63/82/87/541638287.db2.gz GQTRQYHTKZKBBI-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000068903225 541639467 /nfs/dbraw/zinc/63/94/67/541639467.db2.gz NHUMCARKQJHYAJ-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069295843 541675592 /nfs/dbraw/zinc/67/55/92/541675592.db2.gz NGWBAYOHPIHKNB-AWEZNQCLSA-N 1 0 350.419 2.005 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000069469982 541687907 /nfs/dbraw/zinc/68/79/07/541687907.db2.gz LEVQXUYVUOOIPC-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCCCC1 ZINC000070880834 541748663 /nfs/dbraw/zinc/74/86/63/541748663.db2.gz OQQAHSXXYYYVPR-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO CC(C)(CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000070881768 541748750 /nfs/dbraw/zinc/74/87/50/541748750.db2.gz ATTHLIVRCQAKRZ-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO COCCC[N@H+](C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544394609 541763908 /nfs/dbraw/zinc/76/39/08/541763908.db2.gz LRYGSGYKBLPNIV-UHFFFAOYSA-N 1 0 361.240 2.441 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000072937419 541894802 /nfs/dbraw/zinc/89/48/02/541894802.db2.gz OSQKOJLXGPBFLH-UHFFFAOYSA-N 1 0 371.441 2.282 20 5 FEBDRO CC(C)[NH+](CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)C ZINC000074331241 542070641 /nfs/dbraw/zinc/07/06/41/542070641.db2.gz FGAJYTSKWFUKIM-UHFFFAOYSA-N 1 0 374.445 2.414 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000074763996 542118232 /nfs/dbraw/zinc/11/82/32/542118232.db2.gz HICHJCGUOOMAHB-UHFFFAOYSA-N 1 0 371.441 2.306 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000075346591 542172014 /nfs/dbraw/zinc/17/20/14/542172014.db2.gz WCMIQDDBYRDVDL-ZDUSSCGKSA-N 1 0 350.375 2.368 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000075942997 542218121 /nfs/dbraw/zinc/21/81/21/542218121.db2.gz YATBKOSVVFMMDE-UHFFFAOYSA-N 1 0 357.370 2.353 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000076836005 542325483 /nfs/dbraw/zinc/32/54/83/542325483.db2.gz AQONOTVVUWSGBK-ZDUSSCGKSA-N 1 0 353.444 2.063 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000033240924 208076071 /nfs/dbraw/zinc/07/60/71/208076071.db2.gz BZWVPWVNKAPDQR-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO CCC(CC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000046341175 208363260 /nfs/dbraw/zinc/36/32/60/208363260.db2.gz QUYQXHIMNACBRS-UHFFFAOYSA-N 1 0 358.464 2.035 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000081128377 542635473 /nfs/dbraw/zinc/63/54/73/542635473.db2.gz SGVSSJNIAJWCMC-KRWDZBQOSA-N 1 0 371.441 2.223 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000087488339 542746308 /nfs/dbraw/zinc/74/63/08/542746308.db2.gz CEOGPUQEZBWNLW-CQSZACIVSA-N 1 0 365.455 2.013 20 5 FEBDRO Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962114 542778943 /nfs/dbraw/zinc/77/89/43/542778943.db2.gz HDLYIASZLDHPHI-ROUUACIJSA-N 1 0 369.421 2.268 20 5 FEBDRO CC[N@H+](C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000091461500 542809190 /nfs/dbraw/zinc/80/91/90/542809190.db2.gz PZVHDGHJYYJCSN-UHFFFAOYSA-N 1 0 351.794 2.158 20 5 FEBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092588315 542873929 /nfs/dbraw/zinc/87/39/29/542873929.db2.gz PRBKNCVDAJCDLG-MRXNPFEDSA-N 1 0 357.414 2.225 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000092980188 542899795 /nfs/dbraw/zinc/89/97/95/542899795.db2.gz PRYNQSKLUWBQNJ-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO Cn1cc(C[NH+]2CCC(OCCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093694095 542938846 /nfs/dbraw/zinc/93/88/46/542938846.db2.gz DLOHGAITMZHTMR-UHFFFAOYSA-N 1 0 374.441 2.359 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093808450 542941513 /nfs/dbraw/zinc/94/15/13/542941513.db2.gz ITRVUINKZOTQKS-ZDUSSCGKSA-N 1 0 357.414 2.083 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000103856942 543117664 /nfs/dbraw/zinc/11/76/64/543117664.db2.gz OSHHTGJRGRGDQY-UHFFFAOYSA-N 1 0 371.397 2.030 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000104755279 543142308 /nfs/dbraw/zinc/14/23/08/543142308.db2.gz LZXAVTKFUHTQKF-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000104755785 543142583 /nfs/dbraw/zinc/14/25/83/543142583.db2.gz XWIHOZNZADSVDN-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104529375 543134175 /nfs/dbraw/zinc/13/41/75/543134175.db2.gz ZYALIYSXLUSLEY-UHFFFAOYSA-N 1 0 359.430 2.440 20 5 FEBDRO C[C@@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000104684194 543137709 /nfs/dbraw/zinc/13/77/09/543137709.db2.gz GHGDALRCBGHDBT-CQSZACIVSA-N 1 0 361.442 2.499 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000106478841 543231463 /nfs/dbraw/zinc/23/14/63/543231463.db2.gz HLXAMIQVSAXPLA-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109987174 543346073 /nfs/dbraw/zinc/34/60/73/543346073.db2.gz IKLDQANEDPJOKK-QWHCGFSZSA-N 1 0 372.425 2.287 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000110223630 543352348 /nfs/dbraw/zinc/35/23/48/543352348.db2.gz HBIYGGXEHLKGOO-HNNXBMFYSA-N 1 0 363.462 2.403 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000110974744 543376735 /nfs/dbraw/zinc/37/67/35/543376735.db2.gz HQLHMFMOOPGAJT-AWEZNQCLSA-N 1 0 351.451 2.117 20 5 FEBDRO Cc1nn(C)c(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000110870838 543370863 /nfs/dbraw/zinc/37/08/63/543370863.db2.gz AECAIOPTVQOADM-UHFFFAOYSA-N 1 0 359.430 2.407 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112917563 543467577 /nfs/dbraw/zinc/46/75/77/543467577.db2.gz ZLGZFNOIOZVIKM-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247466271 549337238 /nfs/dbraw/zinc/33/72/38/549337238.db2.gz RLNNCOWAIOLFLD-BLLLJJGKSA-N 1 0 363.414 2.184 20 5 FEBDRO CCOc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115433017 543566706 /nfs/dbraw/zinc/56/67/06/543566706.db2.gz OTEGSMULDOSHDB-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO COCC1([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000552073648 674185707 /nfs/dbraw/zinc/18/57/07/674185707.db2.gz MTRGSNUASXBNQE-CYBMUJFWSA-N 1 0 351.403 2.097 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000120302942 543678052 /nfs/dbraw/zinc/67/80/52/543678052.db2.gz UPCLJWAGKDYYPJ-HNNXBMFYSA-N 1 0 363.462 2.346 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(CNCc2csc([N+](=O)[O-])c2)cc1 ZINC000123851511 543787174 /nfs/dbraw/zinc/78/71/74/543787174.db2.gz IPIJVSGXYFENOM-UHFFFAOYSA-N 1 0 362.455 2.238 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000124475078 543824453 /nfs/dbraw/zinc/82/44/53/543824453.db2.gz QNKBQAFGGGGUEU-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000125498972 543884904 /nfs/dbraw/zinc/88/49/04/543884904.db2.gz XQZBNEQNCNIYLV-NEPJUHHUSA-N 1 0 373.862 2.414 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000125996597 543913061 /nfs/dbraw/zinc/91/30/61/543913061.db2.gz TZEJDXJYMDECSP-ZFWWWQNUSA-N 1 0 357.414 2.111 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000125575717 543889841 /nfs/dbraw/zinc/88/98/41/543889841.db2.gz PCVDOYUCAHBFPL-LLVKDONJSA-N 1 0 350.394 2.405 20 5 FEBDRO CCCNC(=O)C[N@H+](CCC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128324842 544046284 /nfs/dbraw/zinc/04/62/84/544046284.db2.gz JILXHBURDGKBNF-UHFFFAOYSA-N 1 0 368.409 2.301 20 5 FEBDRO CCC(=O)N1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128340512 544047177 /nfs/dbraw/zinc/04/71/77/544047177.db2.gz LCELENCPQZJNOK-UHFFFAOYSA-N 1 0 366.393 2.007 20 5 FEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129749680 544125873 /nfs/dbraw/zinc/12/58/73/544125873.db2.gz HPVRMIVCZNKXDB-GOSISDBHSA-N 1 0 361.442 2.273 20 5 FEBDRO CS(=O)(=O)N1CCC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130871663 544168469 /nfs/dbraw/zinc/16/84/69/544168469.db2.gz OAICKXCNOWREJV-OAHLLOKOSA-N 1 0 367.471 2.231 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CC2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000130224621 544143471 /nfs/dbraw/zinc/14/34/71/544143471.db2.gz WHWKYBRDZNZSBL-ZDUSSCGKSA-N 1 0 355.460 2.225 20 5 FEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000131964332 544213559 /nfs/dbraw/zinc/21/35/59/544213559.db2.gz VRDHAHBGKBJOTD-LLVKDONJSA-N 1 0 371.426 2.232 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134050447 544292612 /nfs/dbraw/zinc/29/26/12/544292612.db2.gz VCMCMVURWJLJHJ-AWEZNQCLSA-N 1 0 360.414 2.043 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134206812 544299056 /nfs/dbraw/zinc/29/90/56/544299056.db2.gz OPPPYHPMGYKXEN-AWEZNQCLSA-N 1 0 355.822 2.215 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000135044515 544331983 /nfs/dbraw/zinc/33/19/83/544331983.db2.gz VIDLZFORMYNILK-WBVHZDCISA-N 1 0 371.441 2.160 20 5 FEBDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135741899 544360256 /nfs/dbraw/zinc/36/02/56/544360256.db2.gz GEXVFCMKZTVGJR-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000137157795 544385871 /nfs/dbraw/zinc/38/58/71/544385871.db2.gz JKXLLGBFYHTQQN-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCN1CCN(c2ccccc2)CC1 ZINC000143433767 544422227 /nfs/dbraw/zinc/42/22/27/544422227.db2.gz GWLRUFCIIWTSTE-UHFFFAOYSA-N 1 0 368.437 2.076 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000142137618 544416234 /nfs/dbraw/zinc/41/62/34/544416234.db2.gz GFWWFMYMNOUGFU-UHFFFAOYSA-N 1 0 353.338 2.114 20 5 FEBDRO COc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000150821768 544475711 /nfs/dbraw/zinc/47/57/11/544475711.db2.gz AMLXQMRAKVEKCC-CYBMUJFWSA-N 1 0 371.459 2.098 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000151624924 544563882 /nfs/dbraw/zinc/56/38/82/544563882.db2.gz ANLFFPFMIORHNY-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(CC[NH+](C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000151854767 544588481 /nfs/dbraw/zinc/58/84/81/544588481.db2.gz IOCCZWAMMZFBQR-UHFFFAOYSA-N 1 0 351.403 2.184 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000153294909 544757513 /nfs/dbraw/zinc/75/75/13/544757513.db2.gz DAPQQWSLORXHGD-CHWSQXEVSA-N 1 0 351.403 2.167 20 5 FEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COC2CCOCC2)C2CC2)c1 ZINC000153305944 544758535 /nfs/dbraw/zinc/75/85/35/544758535.db2.gz VNDCCUTWXZHZLH-KRWDZBQOSA-N 1 0 350.415 2.116 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178948480 327617819 /nfs/dbraw/zinc/61/78/19/327617819.db2.gz NLRYBINELLUPMI-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000181828263 327748365 /nfs/dbraw/zinc/74/83/65/327748365.db2.gz HCQLOCOVGUKTHT-ZIAGYGMSSA-N 1 0 355.460 2.225 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000182451880 327775948 /nfs/dbraw/zinc/77/59/48/327775948.db2.gz GXOJQDQNQKUSRB-GFCCVEGCSA-N 1 0 351.403 2.012 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000804463801 674288410 /nfs/dbraw/zinc/28/84/10/674288410.db2.gz JFYUTZNZBFNPBX-GFCCVEGCSA-N 1 0 350.375 2.416 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186545945 327967344 /nfs/dbraw/zinc/96/73/44/327967344.db2.gz IZSJHJVVXUZQAY-CQSZACIVSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187460704 328027439 /nfs/dbraw/zinc/02/74/39/328027439.db2.gz AJJDXLVMAIRVQP-INIZCTEOSA-N 1 0 371.441 2.277 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188310941 328079841 /nfs/dbraw/zinc/07/98/41/328079841.db2.gz ZYXXUSGBLJLOIO-UHFFFAOYSA-N 1 0 362.361 2.039 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189199813 328134314 /nfs/dbraw/zinc/13/43/14/328134314.db2.gz LDDDHDLZHRIPJX-DOTOQJQBSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053832 328184739 /nfs/dbraw/zinc/18/47/39/328184739.db2.gz CDJONVKUIIBKBA-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000191650264 328275944 /nfs/dbraw/zinc/27/59/44/328275944.db2.gz VTMFDACEFPSTGL-CQSZACIVSA-N 1 0 359.430 2.452 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000191791680 328282115 /nfs/dbraw/zinc/28/21/15/328282115.db2.gz VJVJKUYYIQZXGK-HNNXBMFYSA-N 1 0 363.462 2.395 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000191975615 328291391 /nfs/dbraw/zinc/29/13/91/328291391.db2.gz RNCVIKSNHOKDSQ-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193745725 328392898 /nfs/dbraw/zinc/39/28/98/328392898.db2.gz UWKAMWWWIJZWSG-GFCCVEGCSA-N 1 0 371.397 2.046 20 5 FEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236666188 328490948 /nfs/dbraw/zinc/49/09/48/328490948.db2.gz ADSGFMGFKBRHOH-ZACCUICWSA-N 1 0 354.204 2.370 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCCC1 ZINC000065771533 324880073 /nfs/dbraw/zinc/88/00/73/324880073.db2.gz VOCGTZSGPNRGQJ-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO C[NH2+]C1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000237071747 328503350 /nfs/dbraw/zinc/50/33/50/328503350.db2.gz CAXGOFYIBDCIJK-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237214566 328508822 /nfs/dbraw/zinc/50/88/22/328508822.db2.gz OCBOCZVSWKFQFY-IUODEOHRSA-N 1 0 367.471 2.422 20 5 FEBDRO CN(CC(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079323695 325087062 /nfs/dbraw/zinc/08/70/62/325087062.db2.gz FGCRRIPWVWEXQJ-UHFFFAOYSA-N 1 0 356.426 2.409 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096326 325159514 /nfs/dbraw/zinc/15/95/14/325159514.db2.gz UWFYOGDQETUCJM-CJNGLKHVSA-N 1 0 364.446 2.204 20 5 FEBDRO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000081732312 325194205 /nfs/dbraw/zinc/19/42/05/325194205.db2.gz XRCMTNIREAEDRG-LLVKDONJSA-N 1 0 360.414 2.142 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087322103 325279086 /nfs/dbraw/zinc/27/90/86/325279086.db2.gz BEVLSDHUBOTDSY-IBGZPJMESA-N 1 0 374.485 2.156 20 5 FEBDRO NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088607456 325298739 /nfs/dbraw/zinc/29/87/39/325298739.db2.gz MBZYYVFUYGZXLB-UHFFFAOYSA-N 1 0 368.393 2.081 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCC[NH2+]Cc1cccnc1 ZINC000237812541 328529784 /nfs/dbraw/zinc/52/97/84/328529784.db2.gz HAJCBGNWPNOXTA-UHFFFAOYSA-N 1 0 362.817 2.482 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090231703 325357136 /nfs/dbraw/zinc/35/71/36/325357136.db2.gz HZDJQZNRGXHGHJ-GFCCVEGCSA-N 1 0 353.444 2.202 20 5 FEBDRO Cn1cc(C[NH2+]CCC(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237909891 328533906 /nfs/dbraw/zinc/53/39/06/328533906.db2.gz NXPDTLCGFWKNPX-UHFFFAOYSA-N 1 0 371.441 2.488 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107874090 325636822 /nfs/dbraw/zinc/63/68/22/325636822.db2.gz ZZCFQKIRVZXKQX-MRXNPFEDSA-N 1 0 360.414 2.010 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000113091934 325824023 /nfs/dbraw/zinc/82/40/23/325824023.db2.gz QCKFJFDDOHBHES-UHFFFAOYSA-N 1 0 371.441 2.373 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000116651560 326028635 /nfs/dbraw/zinc/02/86/35/326028635.db2.gz WNFSFKCCUKOJDJ-KRWDZBQOSA-N 1 0 373.457 2.087 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118125923 326084045 /nfs/dbraw/zinc/08/40/45/326084045.db2.gz LOEZKJDPZPEFEY-LBPRGKRZSA-N 1 0 368.821 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119729227 326192072 /nfs/dbraw/zinc/19/20/72/326192072.db2.gz UPFAPDGPOKQMGQ-CQSZACIVSA-N 1 0 351.403 2.478 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119888476 326209253 /nfs/dbraw/zinc/20/92/53/326209253.db2.gz DKQSLKJYSUXBJW-CQSZACIVSA-N 1 0 350.419 2.132 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000119997186 326220311 /nfs/dbraw/zinc/22/03/11/326220311.db2.gz ILPJEJXKXUUBSI-MQVJKMGUSA-N 1 0 369.425 2.254 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000120112734 326231324 /nfs/dbraw/zinc/23/13/24/326231324.db2.gz OSHYELLGBDBXCB-CYBMUJFWSA-N 1 0 363.462 2.217 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000120189878 326239222 /nfs/dbraw/zinc/23/92/22/326239222.db2.gz FUDBZKJLDOYRJD-UHFFFAOYSA-N 1 0 363.462 2.346 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000120516162 326265004 /nfs/dbraw/zinc/26/50/04/326265004.db2.gz BCFQUUAPJNWTLA-CQSZACIVSA-N 1 0 356.444 2.304 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000120966029 326302930 /nfs/dbraw/zinc/30/29/30/326302930.db2.gz XESFSNYZTURRJQ-CYBMUJFWSA-N 1 0 362.430 2.141 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000121251882 326325067 /nfs/dbraw/zinc/32/50/67/326325067.db2.gz RXYJYSXQNMNLRS-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000121354537 326332079 /nfs/dbraw/zinc/33/20/79/326332079.db2.gz FIKVMFOQROVYPD-OKILXGFUSA-N 1 0 372.425 2.372 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc([N+](=O)[O-])c1 ZINC000122428911 326396456 /nfs/dbraw/zinc/39/64/56/326396456.db2.gz MNMIAYMAXRXJME-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000122893195 326413166 /nfs/dbraw/zinc/41/31/66/326413166.db2.gz OAYLJFAXEYWIMF-UHFFFAOYSA-N 1 0 372.425 2.264 20 5 FEBDRO CC(C)C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(=O)NCC[NH+](C)C ZINC000129486675 326541428 /nfs/dbraw/zinc/54/14/28/326541428.db2.gz LHBGQEFBNFYWKI-AWEZNQCLSA-N 1 0 358.389 2.377 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)c1 ZINC000130184604 326552683 /nfs/dbraw/zinc/55/26/83/326552683.db2.gz MRCGDDMHIHTTEB-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000136147571 326650088 /nfs/dbraw/zinc/65/00/88/326650088.db2.gz AVBFCPKYLAETMD-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C(C)(C)C[NH+](C)C ZINC000137231071 326659125 /nfs/dbraw/zinc/65/91/25/326659125.db2.gz ONPRUSQICUIJSZ-LBPRGKRZSA-N 1 0 369.487 2.385 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000146228818 326665481 /nfs/dbraw/zinc/66/54/81/326665481.db2.gz LTCQIWNQFZFJRL-INIZCTEOSA-N 1 0 367.471 2.406 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000152793738 326716565 /nfs/dbraw/zinc/71/65/65/326716565.db2.gz UUKZDKQQGCUKJZ-GFCCVEGCSA-N 1 0 371.459 2.068 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)cn2)CC1 ZINC000154912364 326772240 /nfs/dbraw/zinc/77/22/40/326772240.db2.gz VNMJYFIKAYBJIQ-UHFFFAOYSA-N 1 0 371.397 2.297 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160183137 326956237 /nfs/dbraw/zinc/95/62/37/326956237.db2.gz CECSBKCKMQYKQE-RJHNKFTKSA-N 1 0 373.453 2.492 20 5 FEBDRO O=c1[nH]cnc2cc(N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000161935930 327012874 /nfs/dbraw/zinc/01/28/74/327012874.db2.gz SVPORBXAIBOZTG-MLGOLLRUSA-N 1 0 369.425 2.284 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000163653026 327056184 /nfs/dbraw/zinc/05/61/84/327056184.db2.gz AQDWTKOCCOWHMC-CQSZACIVSA-N 1 0 351.451 2.011 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000164055609 327063990 /nfs/dbraw/zinc/06/39/90/327063990.db2.gz LUYLKOMNCDXEOV-CQSZACIVSA-N 1 0 364.446 2.062 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000166320906 327081650 /nfs/dbraw/zinc/08/16/50/327081650.db2.gz PXFMLNVAXLATSP-UHFFFAOYSA-N 1 0 373.450 2.476 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170736593 327096223 /nfs/dbraw/zinc/09/62/23/327096223.db2.gz UHPYPASXHUUGIU-LLVKDONJSA-N 1 0 359.835 2.107 20 5 FEBDRO O=C(CN1CCC[N@@H+](C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172347393 327197276 /nfs/dbraw/zinc/19/72/76/327197276.db2.gz PLTWOLINSCCWNU-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1OCC[NH+]1CCCC1 ZINC000172382957 327198978 /nfs/dbraw/zinc/19/89/78/327198978.db2.gz RLDNQCMBFVWEII-UHFFFAOYSA-N 1 0 373.413 2.213 20 5 FEBDRO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](CC2CCOCC2)CC1 ZINC000172385670 327199118 /nfs/dbraw/zinc/19/91/18/327199118.db2.gz YZDSEZLJVCLQOX-UHFFFAOYSA-N 1 0 372.425 2.261 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000173264335 327245183 /nfs/dbraw/zinc/24/51/83/327245183.db2.gz JCGJSLVKYNZFPP-DGCLKSJQSA-N 1 0 359.423 2.085 20 5 FEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173277668 327246272 /nfs/dbraw/zinc/24/62/72/327246272.db2.gz PZYIRHAYDQFOOP-ZYHUDNBSSA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1ccc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000173286799 327247062 /nfs/dbraw/zinc/24/70/62/327247062.db2.gz VRVRPHLPARVROT-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000173328994 327250142 /nfs/dbraw/zinc/25/01/42/327250142.db2.gz CPPSYLAINZTCOT-OAHLLOKOSA-N 1 0 350.806 2.475 20 5 FEBDRO COc1ccc(CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000173599192 327269901 /nfs/dbraw/zinc/26/99/01/327269901.db2.gz OUHULYYHFMRFNJ-GOSISDBHSA-N 1 0 374.441 2.116 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173669937 327275538 /nfs/dbraw/zinc/27/55/38/327275538.db2.gz KGRGERXCAWANCY-CYBMUJFWSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000173799212 327285045 /nfs/dbraw/zinc/28/50/45/327285045.db2.gz UPIOSNGRBTZFIO-ZDUSSCGKSA-N 1 0 372.425 2.240 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173829254 327287196 /nfs/dbraw/zinc/28/71/96/327287196.db2.gz INVPGAXPUYAYOQ-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CC1CCC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)CC1 ZINC000173866668 327289861 /nfs/dbraw/zinc/28/98/61/327289861.db2.gz JBGMIQSOGDAPFR-MUDYYLEHSA-N 1 0 366.462 2.212 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000173923343 327294989 /nfs/dbraw/zinc/29/49/89/327294989.db2.gz OSWXDQYUUAYLFT-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000174105440 327306607 /nfs/dbraw/zinc/30/66/07/327306607.db2.gz NESXSZRSCOPVPC-PBHICJAKSA-N 1 0 364.446 2.408 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174540249 327333308 /nfs/dbraw/zinc/33/33/08/327333308.db2.gz KLVWYLFXROKYED-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO CN1CCN([C@@H]2CCCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875435 327357103 /nfs/dbraw/zinc/35/71/03/327357103.db2.gz PSADJZOEOWOLQU-QGZVFWFLSA-N 1 0 362.474 2.076 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174883642 327357813 /nfs/dbraw/zinc/35/78/13/327357813.db2.gz KPZKFQSLRLCJPQ-SFHVURJKSA-N 1 0 362.474 2.205 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1C ZINC000175091045 327373473 /nfs/dbraw/zinc/37/34/73/327373473.db2.gz SYKHKSAYVYLIMI-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1c(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cccc1[N+](=O)[O-] ZINC000175303057 327385854 /nfs/dbraw/zinc/38/58/54/327385854.db2.gz IRSPNBNKQAATFG-ZDUSSCGKSA-N 1 0 364.446 2.460 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000248251196 328712470 /nfs/dbraw/zinc/71/24/70/328712470.db2.gz MBTXNODLNMKWAT-UHFFFAOYSA-N 1 0 354.838 2.239 20 5 FEBDRO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000261912668 328829106 /nfs/dbraw/zinc/82/91/06/328829106.db2.gz ZYMRZGQYIJQVOH-WFASDCNBSA-N 1 0 373.413 2.414 20 5 FEBDRO COc1ccc(CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264068253 328989679 /nfs/dbraw/zinc/98/96/79/328989679.db2.gz AMJDRDWOQDENOY-UHFFFAOYSA-N 1 0 350.419 2.087 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000264315822 329009574 /nfs/dbraw/zinc/00/95/74/329009574.db2.gz FBHWPBMSYGOVAN-INIZCTEOSA-N 1 0 355.394 2.494 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264617565 329041207 /nfs/dbraw/zinc/04/12/07/329041207.db2.gz RKERTYWCJFDKTO-ZDUSSCGKSA-N 1 0 371.441 2.447 20 5 FEBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265476645 329130994 /nfs/dbraw/zinc/13/09/94/329130994.db2.gz FRYYOAWHBRWBCT-SNVBAGLBSA-N 1 0 355.416 2.335 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000265736755 329155213 /nfs/dbraw/zinc/15/52/13/329155213.db2.gz LZYZTHLLHWHLAI-MRXNPFEDSA-N 1 0 364.446 2.236 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000265757984 329157346 /nfs/dbraw/zinc/15/73/46/329157346.db2.gz GFVVQTHIDFZUJU-HUUCEWRRSA-N 1 0 363.458 2.488 20 5 FEBDRO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265954957 329176112 /nfs/dbraw/zinc/17/61/12/329176112.db2.gz FHRDVNIZUNSLTH-HNNXBMFYSA-N 1 0 356.426 2.494 20 5 FEBDRO C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266770351 329258265 /nfs/dbraw/zinc/25/82/65/329258265.db2.gz JESKMPASQROVNF-YGRLFVJLSA-N 1 0 358.320 2.429 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000268100604 329385171 /nfs/dbraw/zinc/38/51/71/329385171.db2.gz DJOPTLBWWNRYPS-CQSZACIVSA-N 1 0 350.806 2.404 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000269203691 329496196 /nfs/dbraw/zinc/49/61/96/329496196.db2.gz YWQKBHZPJDDGMT-ZJUUUORDSA-N 1 0 372.194 2.463 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000269457582 329521959 /nfs/dbraw/zinc/52/19/59/329521959.db2.gz FIKQNSGIQWUSGP-UHFFFAOYSA-N 1 0 363.336 2.264 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270243752 329585044 /nfs/dbraw/zinc/58/50/44/329585044.db2.gz OROCOIDYXIVCBN-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c([N+](=O)[O-])cc1OC ZINC000271370598 329688343 /nfs/dbraw/zinc/68/83/43/329688343.db2.gz BRIFUEIIJJIUJV-ZDUSSCGKSA-N 1 0 352.387 2.387 20 5 FEBDRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674543 329714221 /nfs/dbraw/zinc/71/42/21/329714221.db2.gz ITQGYSQJIVANAM-LRDDRELGSA-N 1 0 352.460 2.392 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000272455458 329782376 /nfs/dbraw/zinc/78/23/76/329782376.db2.gz KNJZYQIDSYQJSE-LLVKDONJSA-N 1 0 361.851 2.271 20 5 FEBDRO COc1cc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000273035314 329831672 /nfs/dbraw/zinc/83/16/72/329831672.db2.gz TVQGFNYORTULMS-INIZCTEOSA-N 1 0 373.356 2.324 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273539715 329872926 /nfs/dbraw/zinc/87/29/26/329872926.db2.gz DWNXSIUEZDQGTI-ZDUSSCGKSA-N 1 0 355.460 2.087 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291404388 330190588 /nfs/dbraw/zinc/19/05/88/330190588.db2.gz BOINUZQCMKWLPT-UHFFFAOYSA-N 1 0 350.202 2.210 20 5 FEBDRO Cc1ccccc1C1(O)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000367129479 330220662 /nfs/dbraw/zinc/22/06/62/330220662.db2.gz SPXWVIPBHBXBHF-UHFFFAOYSA-N 1 0 357.410 2.049 20 5 FEBDRO C[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000367206630 330230033 /nfs/dbraw/zinc/23/00/33/330230033.db2.gz RWGKKBAEFMYYRY-IBGZPJMESA-N 1 0 371.441 2.210 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369329542 330240162 /nfs/dbraw/zinc/24/01/62/330240162.db2.gz HURHDISSIUCEOM-YJBOKZPZSA-N 1 0 369.425 2.218 20 5 FEBDRO Cn1cc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929941 330252226 /nfs/dbraw/zinc/25/22/26/330252226.db2.gz BBCVCFHXFMVRBD-GDBMZVCRSA-N 1 0 369.425 2.133 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155479948 545531051 /nfs/dbraw/zinc/53/10/51/545531051.db2.gz QWZRTPXDVKDNKI-CXAGYDPISA-N 1 0 363.414 2.433 20 5 FEBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156005815 545591996 /nfs/dbraw/zinc/59/19/96/545591996.db2.gz PXQRQWPUPVRARX-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[N@H+](CCc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159182260 545929381 /nfs/dbraw/zinc/92/93/81/545929381.db2.gz OBECQRSJPNIHGM-AWEZNQCLSA-N 1 0 351.428 2.356 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159200899 545930862 /nfs/dbraw/zinc/93/08/62/545930862.db2.gz TWXYDAHHWNZDMD-GOSISDBHSA-N 1 0 369.421 2.052 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000478401572 561165968 /nfs/dbraw/zinc/16/59/68/561165968.db2.gz RBCSEPVZKCLPPJ-ZWKOTPCHSA-N 1 0 355.394 2.188 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162086725 546136004 /nfs/dbraw/zinc/13/60/04/546136004.db2.gz IHADVXQUSKJWTL-MNOVXSKESA-N 1 0 356.220 2.286 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(NCC2(C)CC2)c([N+](=O)[O-])c1 ZINC000479487316 561190584 /nfs/dbraw/zinc/19/05/84/561190584.db2.gz DLFIVXAPGYWDLS-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO CCC(=O)c1ccc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000479965305 561200398 /nfs/dbraw/zinc/20/03/98/561200398.db2.gz PSFSWTZZXBKJCR-CQSZACIVSA-N 1 0 362.430 2.187 20 5 FEBDRO CC[C@@H](C)N(CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176247810 546423885 /nfs/dbraw/zinc/42/38/85/546423885.db2.gz WLXKLTSPJBETLC-CYBMUJFWSA-N 1 0 370.413 2.329 20 5 FEBDRO CCOC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000176310464 546430080 /nfs/dbraw/zinc/43/00/80/546430080.db2.gz CTTMQBXOYAZDJU-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)[N@@H+]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000480465014 561209790 /nfs/dbraw/zinc/20/97/90/561209790.db2.gz WOARHVOVFGRZKZ-UHFFFAOYSA-N 1 0 371.441 2.480 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000176668145 546474875 /nfs/dbraw/zinc/47/48/75/546474875.db2.gz OLBLZSUTQBKYOL-LLVKDONJSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1sc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000480755021 561215978 /nfs/dbraw/zinc/21/59/78/561215978.db2.gz GCPUMCUPCLSWLN-UHFFFAOYSA-N 1 0 361.489 2.365 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177777112 546684143 /nfs/dbraw/zinc/68/41/43/546684143.db2.gz BDCDRGLEYCXZFL-AEFFLSMTSA-N 1 0 369.425 2.479 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000481851040 561244024 /nfs/dbraw/zinc/24/40/24/561244024.db2.gz HQKWWQVCLZIASO-RDJZCZTQSA-N 1 0 354.410 2.221 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179363818 546940061 /nfs/dbraw/zinc/94/00/61/546940061.db2.gz BOXNRCNNCHZUKY-INIZCTEOSA-N 1 0 374.441 2.092 20 5 FEBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000482419990 561253733 /nfs/dbraw/zinc/25/37/33/561253733.db2.gz XWUAHKXPAXHNAJ-UHFFFAOYSA-N 1 0 360.414 2.146 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180416025 547105932 /nfs/dbraw/zinc/10/59/32/547105932.db2.gz TXBQZVDAMANKNZ-YVEFUNNKSA-N 1 0 364.423 2.383 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000482853421 561261474 /nfs/dbraw/zinc/26/14/74/561261474.db2.gz CSSCWDKRBFUAJE-HNNXBMFYSA-N 1 0 362.474 2.497 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000483235696 561271441 /nfs/dbraw/zinc/27/14/41/561271441.db2.gz XLDYEDPKWGUNGA-UHFFFAOYSA-N 1 0 358.398 2.199 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000181286908 547286705 /nfs/dbraw/zinc/28/67/05/547286705.db2.gz HUWYCBXIEOFVRY-UONOGXRCSA-N 1 0 361.398 2.411 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181479248 547321452 /nfs/dbraw/zinc/32/14/52/547321452.db2.gz VBYXLSHQZKBGSL-DZGCQCFKSA-N 1 0 363.462 2.259 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181479278 547322637 /nfs/dbraw/zinc/32/26/37/547322637.db2.gz VBYXLSHQZKBGSL-ZFWWWQNUSA-N 1 0 363.462 2.259 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181520105 547327795 /nfs/dbraw/zinc/32/77/95/547327795.db2.gz NEOCUFQEQRGEMI-AZUAARDMSA-N 1 0 372.421 2.278 20 5 FEBDRO CN(CC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181861909 547393219 /nfs/dbraw/zinc/39/32/19/547393219.db2.gz CZBCYYMXTSJHJL-KRWDZBQOSA-N 1 0 359.426 2.403 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209108 547621210 /nfs/dbraw/zinc/62/12/10/547621210.db2.gz WUTOAEXUSZXCAU-KSSFIOAISA-N 1 0 374.441 2.278 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183425073 547656859 /nfs/dbraw/zinc/65/68/59/547656859.db2.gz WSURKEKAYCUQEY-LJQANCHMSA-N 1 0 369.421 2.020 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183434259 547658850 /nfs/dbraw/zinc/65/88/50/547658850.db2.gz VGFMGVSLBKLFER-LLVKDONJSA-N 1 0 361.402 2.325 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000183636840 547693365 /nfs/dbraw/zinc/69/33/65/547693365.db2.gz ATHPMEVPSADXKU-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000484635725 561301779 /nfs/dbraw/zinc/30/17/79/561301779.db2.gz DXHOAXZHPKKUIL-HOTGVXAUSA-N 1 0 351.403 2.015 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183897643 547736092 /nfs/dbraw/zinc/73/60/92/547736092.db2.gz YWFFUXDUFQPGRF-NSHDSACASA-N 1 0 371.319 2.369 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184341167 547810625 /nfs/dbraw/zinc/81/06/25/547810625.db2.gz FQRATFKLVAYSHO-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184601293 547852752 /nfs/dbraw/zinc/85/27/52/547852752.db2.gz XCNWLOULIVIVOG-CQSZACIVSA-N 1 0 355.460 2.088 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000485044288 561311232 /nfs/dbraw/zinc/31/12/32/561311232.db2.gz IJDYURHVHPZERN-OAHLLOKOSA-N 1 0 371.393 2.226 20 5 FEBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@@H+]1Cc1ccccc1 ZINC000185349668 547973229 /nfs/dbraw/zinc/97/32/29/547973229.db2.gz QOBFBDJQFYCFKH-QGZVFWFLSA-N 1 0 371.441 2.223 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185364160 547975441 /nfs/dbraw/zinc/97/54/41/547975441.db2.gz FVIWWWJFMJOSLU-ZDUSSCGKSA-N 1 0 353.419 2.271 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000485620087 561324150 /nfs/dbraw/zinc/32/41/50/561324150.db2.gz LJQYQZXDRIUQKM-RYUDHWBXSA-N 1 0 371.384 2.031 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CC1CCCCC1 ZINC000485880889 561330991 /nfs/dbraw/zinc/33/09/91/561330991.db2.gz CJGLZHBVDDLNFP-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO CSc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000486213493 561341239 /nfs/dbraw/zinc/34/12/39/561341239.db2.gz XQDWYCHCCSTOED-CYBMUJFWSA-N 1 0 367.471 2.139 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)[NH+](C)C ZINC000193099187 548379996 /nfs/dbraw/zinc/37/99/96/548379996.db2.gz XXNOCMXWKQJKGG-AWEZNQCLSA-N 1 0 373.475 2.248 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000193948664 548412005 /nfs/dbraw/zinc/41/20/05/548412005.db2.gz VURKMKGUQDNHGN-UHFFFAOYSA-N 1 0 362.430 2.373 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865016 561358501 /nfs/dbraw/zinc/35/85/01/561358501.db2.gz HDHGCXZEAVMGQU-WCQYABFASA-N 1 0 364.402 2.294 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000195457952 548643307 /nfs/dbraw/zinc/64/33/07/548643307.db2.gz XRWYMHNUDAEQMU-ZIAGYGMSSA-N 1 0 366.487 2.287 20 5 FEBDRO C[C@H]([C@H](C)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000216901387 548679003 /nfs/dbraw/zinc/67/90/03/548679003.db2.gz KICPALFDIVLIHQ-MJBXVCDLSA-N 1 0 367.471 2.301 20 5 FEBDRO Cn1c(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000487388160 561369021 /nfs/dbraw/zinc/36/90/21/561369021.db2.gz QZHNEISNOUETKK-UHFFFAOYSA-N 1 0 360.414 2.194 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000237050055 548796641 /nfs/dbraw/zinc/79/66/41/548796641.db2.gz HEQFIILFCQEDMZ-NWDGAFQWSA-N 1 0 351.403 2.202 20 5 FEBDRO CC[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)c1cccc([N+](=O)[O-])c1 ZINC000237069094 548797828 /nfs/dbraw/zinc/79/78/28/548797828.db2.gz MXEIBNMAVNPAKA-INIZCTEOSA-N 1 0 372.429 2.300 20 5 FEBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000237174889 548805496 /nfs/dbraw/zinc/80/54/96/548805496.db2.gz MGCZCLKACGRRRX-LLVKDONJSA-N 1 0 374.363 2.118 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237215660 548808978 /nfs/dbraw/zinc/80/89/78/548808978.db2.gz APRIGELXVUOKLX-ZDUSSCGKSA-N 1 0 353.444 2.095 20 5 FEBDRO COc1cc(C(=O)N(C)CC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000487623296 561372899 /nfs/dbraw/zinc/37/28/99/561372899.db2.gz QUNREHYWZAQUHM-UHFFFAOYSA-N 1 0 373.356 2.373 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000237310989 548817116 /nfs/dbraw/zinc/81/71/16/548817116.db2.gz JZHMMVXCUDAMIU-SNVBAGLBSA-N 1 0 373.356 2.276 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000237635887 548841442 /nfs/dbraw/zinc/84/14/42/548841442.db2.gz JMGMEDNFZQJKGO-QGZVFWFLSA-N 1 0 371.441 2.410 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(Cl)c1 ZINC000237813975 548855291 /nfs/dbraw/zinc/85/52/91/548855291.db2.gz AOZHUSKGHMAVST-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245771109 548992315 /nfs/dbraw/zinc/99/23/15/548992315.db2.gz XFJRMUDBQUWWMM-WMLDXEAASA-N 1 0 369.487 2.129 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246129048 549058611 /nfs/dbraw/zinc/05/86/11/549058611.db2.gz REOXSDDYRZLNPN-PBHICJAKSA-N 1 0 357.414 2.434 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246323887 549105842 /nfs/dbraw/zinc/10/58/42/549105842.db2.gz HGMHVINUMXMYCJ-HIFRSBDPSA-N 1 0 363.462 2.363 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330635 549320366 /nfs/dbraw/zinc/32/03/66/549320366.db2.gz YNYISEFPSMYXRS-YOEHRIQHSA-N 1 0 360.458 2.146 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000249489562 549595900 /nfs/dbraw/zinc/59/59/00/549595900.db2.gz DVOJTIFYXPWXGX-KBPBESRZSA-N 1 0 360.414 2.137 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249492400 549595915 /nfs/dbraw/zinc/59/59/15/549595915.db2.gz FNHIQTJUGRLFMN-CABCVRRESA-N 1 0 351.447 2.269 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000261741266 549749493 /nfs/dbraw/zinc/74/94/93/549749493.db2.gz PEPANJTZYWHWDP-AAEUAGOBSA-N 1 0 364.427 2.033 20 5 FEBDRO C[NH2+][C@H]1CCCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000261995719 549778119 /nfs/dbraw/zinc/77/81/19/549778119.db2.gz KROGWJBUDAPFEM-LBPRGKRZSA-N 1 0 359.373 2.431 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CC[NH2+]CC1 ZINC000262247342 549802381 /nfs/dbraw/zinc/80/23/81/549802381.db2.gz RHEHWIOQYBPDFL-UHFFFAOYSA-N 1 0 360.336 2.284 20 5 FEBDRO C[C@H](CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]C1 ZINC000262672289 549837546 /nfs/dbraw/zinc/83/75/46/549837546.db2.gz OWPAUHZCDRBDLQ-ILXRZTDVSA-N 1 0 361.446 2.028 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000263667976 549916081 /nfs/dbraw/zinc/91/60/81/549916081.db2.gz LJXDKOSYCFROFY-CQSZACIVSA-N 1 0 363.414 2.317 20 5 FEBDRO COc1ccc(CNC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000264175406 549988051 /nfs/dbraw/zinc/98/80/51/549988051.db2.gz MNBWHETUPOPUPQ-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261516 550041888 /nfs/dbraw/zinc/04/18/88/550041888.db2.gz ZIWOAMYIMKISSM-GUYCJALGSA-N 1 0 358.442 2.408 20 5 FEBDRO O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000269155729 550161663 /nfs/dbraw/zinc/16/16/63/550161663.db2.gz UXFDLEZBBFEZII-UHFFFAOYSA-N 1 0 358.354 2.084 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)nc2)C1 ZINC000269405240 550191230 /nfs/dbraw/zinc/19/12/30/550191230.db2.gz FQGGXEFMWBMOAL-QGZVFWFLSA-N 1 0 369.425 2.311 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)nc2)C1 ZINC000269440732 550196063 /nfs/dbraw/zinc/19/60/63/550196063.db2.gz QOZGYSQVMHMRLF-GFCCVEGCSA-N 1 0 361.427 2.444 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000269519267 550203605 /nfs/dbraw/zinc/20/36/05/550203605.db2.gz XCLBERKYIMRHBS-LBPRGKRZSA-N 1 0 361.320 2.064 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493571086 561456752 /nfs/dbraw/zinc/45/67/52/561456752.db2.gz DYUILWADWGQFLE-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493571087 561456848 /nfs/dbraw/zinc/45/68/48/561456848.db2.gz DYUILWADWGQFLE-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493707306 561457780 /nfs/dbraw/zinc/45/77/80/561457780.db2.gz NERQXIOQJPQNTI-WBVHZDCISA-N 1 0 351.403 2.073 20 5 FEBDRO CS[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH+](C)C ZINC000270626360 550290279 /nfs/dbraw/zinc/29/02/79/550290279.db2.gz FJYZHJNSJONULU-KBPBESRZSA-N 1 0 363.443 2.122 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000271149198 550345703 /nfs/dbraw/zinc/34/57/03/550345703.db2.gz XCYPESKFVKZXSU-MRXNPFEDSA-N 1 0 367.471 2.027 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CN(C)CCN1C ZINC000271192400 550350817 /nfs/dbraw/zinc/35/08/17/550350817.db2.gz XUBOVBXONFXVKD-CABCVRRESA-N 1 0 352.504 2.301 20 5 FEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271300047 550362457 /nfs/dbraw/zinc/36/24/57/550362457.db2.gz GLTUQXAJSNEXHT-UHFFFAOYSA-N 1 0 372.429 2.102 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000271433934 550375052 /nfs/dbraw/zinc/37/50/52/550375052.db2.gz SCITVNPMFGOUJG-GDBMZVCRSA-N 1 0 371.441 2.453 20 5 FEBDRO COCCCOCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000271607774 550389362 /nfs/dbraw/zinc/38/93/62/550389362.db2.gz UTSYJSJMHGNTHD-UHFFFAOYSA-N 1 0 350.375 2.130 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000271697244 550396210 /nfs/dbraw/zinc/39/62/10/550396210.db2.gz KERYOIXFIZLPCS-CYBMUJFWSA-N 1 0 362.430 2.141 20 5 FEBDRO CN(C)c1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000271928994 550411718 /nfs/dbraw/zinc/41/17/18/550411718.db2.gz HGWXXSVKQVMPHO-UHFFFAOYSA-N 1 0 350.400 2.040 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000494383201 561468387 /nfs/dbraw/zinc/46/83/87/561468387.db2.gz FJBKKYGXTMBJQJ-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000272354588 550440122 /nfs/dbraw/zinc/44/01/22/550440122.db2.gz RDDSWLBWGCKZCM-CYBMUJFWSA-N 1 0 355.460 2.320 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272834173 550472641 /nfs/dbraw/zinc/47/26/41/550472641.db2.gz KOYXMBHEBBLIKZ-UHFFFAOYSA-N 1 0 356.810 2.033 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000273908763 550515241 /nfs/dbraw/zinc/51/52/41/550515241.db2.gz AHKXKSWDNJBFEU-CHWSQXEVSA-N 1 0 351.403 2.409 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273993528 550518418 /nfs/dbraw/zinc/51/84/18/550518418.db2.gz XUJTYNBUPNLLCR-UHFFFAOYSA-N 1 0 355.410 2.096 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494644549 561473103 /nfs/dbraw/zinc/47/31/03/561473103.db2.gz CHUWIBARBJAWHY-CQSZACIVSA-N 1 0 370.452 2.062 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276808204 550598444 /nfs/dbraw/zinc/59/84/44/550598444.db2.gz SDNJOMCSRSPMQW-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1noc(C[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccccc2)n1 ZINC000277161835 550638674 /nfs/dbraw/zinc/63/86/74/550638674.db2.gz KFNPTMQBZWICLC-INIZCTEOSA-N 1 0 369.381 2.022 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277615523 550692244 /nfs/dbraw/zinc/69/22/44/550692244.db2.gz BNHZQPSLZCVHDQ-UHFFFAOYSA-N 1 0 362.430 2.277 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000277828604 550718815 /nfs/dbraw/zinc/71/88/15/550718815.db2.gz QXJHTZRCLUFBMX-UHFFFAOYSA-N 1 0 360.418 2.145 20 5 FEBDRO C[NH+]1CCC(O)(CNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000278261302 550766431 /nfs/dbraw/zinc/76/64/31/550766431.db2.gz XDPNOPYDCHUKRT-UHFFFAOYSA-N 1 0 365.433 2.280 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000278319894 550772387 /nfs/dbraw/zinc/77/23/87/550772387.db2.gz AERUUOISHUMFSC-SZTZYQKNSA-N 1 0 359.426 2.320 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000278388157 550780034 /nfs/dbraw/zinc/78/00/34/550780034.db2.gz CQXKJOVJPOYZCS-CQSZACIVSA-N 1 0 374.441 2.236 20 5 FEBDRO CC(C)N1CC[NH+](C2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000278430109 550785263 /nfs/dbraw/zinc/78/52/63/550785263.db2.gz JIDWZDWMKHJARF-UHFFFAOYSA-N 1 0 372.473 2.466 20 5 FEBDRO CC[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000278524927 550795291 /nfs/dbraw/zinc/79/52/91/550795291.db2.gz ZIZBJEUFAJXMEC-WDEREUQCSA-N 1 0 362.352 2.290 20 5 FEBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251540 561485630 /nfs/dbraw/zinc/48/56/30/561485630.db2.gz WKCZGMUXPRNYPS-SCLBCKFNSA-N 1 0 363.414 2.376 20 5 FEBDRO CCOC(=O)c1ncn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1N ZINC000279364797 550881986 /nfs/dbraw/zinc/88/19/86/550881986.db2.gz WOXCZTTUTJJFCC-UHFFFAOYSA-N 1 0 373.413 2.387 20 5 FEBDRO Cc1ccc([C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)cc1 ZINC000279882803 550939151 /nfs/dbraw/zinc/93/91/51/550939151.db2.gz CNWPORCMVKELOS-HKUYNNGSSA-N 1 0 367.409 2.235 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000280277299 550976167 /nfs/dbraw/zinc/97/61/67/550976167.db2.gz DFVAXMAUBLISON-GFCCVEGCSA-N 1 0 351.403 2.025 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)cs2)c1 ZINC000280298793 550978099 /nfs/dbraw/zinc/97/80/99/550978099.db2.gz NGUVAKWTKWGMDN-UONOGXRCSA-N 1 0 363.439 2.453 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H](C)O1 ZINC000281039552 551057025 /nfs/dbraw/zinc/05/70/25/551057025.db2.gz VIORKTSJIAPDEP-TXEJJXNPSA-N 1 0 361.402 2.155 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282036506 551172687 /nfs/dbraw/zinc/17/26/87/551172687.db2.gz LFEJRONWMSIZSD-KRWDZBQOSA-N 1 0 359.426 2.423 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000282683970 551259414 /nfs/dbraw/zinc/25/94/14/551259414.db2.gz LIYOHRRSDNFDJS-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000282725336 551263931 /nfs/dbraw/zinc/26/39/31/551263931.db2.gz HZDZRFHMVKUMIQ-UHFFFAOYSA-N 1 0 356.430 2.405 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157258 551320866 /nfs/dbraw/zinc/32/08/66/551320866.db2.gz CTLRIEYBOSKLSG-GXTWGEPZSA-N 1 0 361.320 2.311 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283711893 551414361 /nfs/dbraw/zinc/41/43/61/551414361.db2.gz DZTWRMHOQRUFCM-ZDUSSCGKSA-N 1 0 350.419 2.253 20 5 FEBDRO CN1CCO[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000283950560 551455806 /nfs/dbraw/zinc/45/58/06/551455806.db2.gz AOKXOEKFDOIOCC-SJORKVTESA-N 1 0 372.425 2.197 20 5 FEBDRO CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000284332849 551526057 /nfs/dbraw/zinc/52/60/57/551526057.db2.gz IUJSMKMWYXQJKI-UHFFFAOYSA-N 1 0 356.430 2.405 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498227588 561519284 /nfs/dbraw/zinc/51/92/84/561519284.db2.gz LBQWSPQGOPSQMG-OLZOCXBDSA-N 1 0 350.419 2.228 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000284650078 551598582 /nfs/dbraw/zinc/59/85/82/551598582.db2.gz KWNMZXXBULBNRI-UHFFFAOYSA-N 1 0 358.398 2.326 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000284836833 551646895 /nfs/dbraw/zinc/64/68/95/551646895.db2.gz NFCODTQVTLHHQM-IAGOWNOFSA-N 1 0 358.398 2.155 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000498644507 561530911 /nfs/dbraw/zinc/53/09/11/561530911.db2.gz RSABKDBXBDUFET-LBPRGKRZSA-N 1 0 355.460 2.293 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000285157620 551712422 /nfs/dbraw/zinc/71/24/22/551712422.db2.gz AHQHKPLHYLLZAM-RYUDHWBXSA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1F ZINC000285458569 551759472 /nfs/dbraw/zinc/75/94/72/551759472.db2.gz ZCCHYLZJDHWDSF-CHWSQXEVSA-N 1 0 371.434 2.290 20 5 FEBDRO COC(=O)c1cc(C)nc(N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000286186650 551858767 /nfs/dbraw/zinc/85/87/67/551858767.db2.gz QPHMWGUKDVDGLQ-UHFFFAOYSA-N 1 0 350.419 2.394 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000286536149 551897148 /nfs/dbraw/zinc/89/71/48/551897148.db2.gz YWQQHPCKDXJDKX-UHFFFAOYSA-N 1 0 355.410 2.298 20 5 FEBDRO COC(=O)c1cc(C)nc(N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000286544715 551898389 /nfs/dbraw/zinc/89/83/89/551898389.db2.gz PTKWOYPBMPPRPV-GFCCVEGCSA-N 1 0 350.419 2.251 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286750522 551922100 /nfs/dbraw/zinc/92/21/00/551922100.db2.gz PBWLIKQPWBEKRX-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275308 551984104 /nfs/dbraw/zinc/98/41/04/551984104.db2.gz SMHOVQVXXRMKKK-ZBFHGGJFSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275305 551984231 /nfs/dbraw/zinc/98/42/31/551984231.db2.gz SMHOVQVXXRMKKK-HOCLYGCPSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364204 551994814 /nfs/dbraw/zinc/99/48/14/551994814.db2.gz WWOTWZRVNAOUAC-GWCFXTLKSA-N 1 0 361.427 2.298 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000288489862 552162089 /nfs/dbraw/zinc/16/20/89/552162089.db2.gz RMWVKBPFGUWFAO-LJQANCHMSA-N 1 0 369.425 2.067 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000288645448 552191450 /nfs/dbraw/zinc/19/14/50/552191450.db2.gz DKTIXYVRQZXJFG-UHFFFAOYSA-N 1 0 364.427 2.312 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000500194229 561567572 /nfs/dbraw/zinc/56/75/72/561567572.db2.gz JVFNEOYYIWWIMY-UHFFFAOYSA-N 1 0 352.435 2.134 20 5 FEBDRO CC(C)(O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289417574 552318053 /nfs/dbraw/zinc/31/80/53/552318053.db2.gz CGPMSMXITZNRGH-UHFFFAOYSA-N 1 0 364.183 2.450 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000289572354 552342604 /nfs/dbraw/zinc/34/26/04/552342604.db2.gz JNOWDLMDWRPFIS-LVIIFESRSA-N 1 0 360.414 2.026 20 5 FEBDRO COCCN(CC[NH+](C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000289574080 552343180 /nfs/dbraw/zinc/34/31/80/552343180.db2.gz ZYFZXEIYWAEEKT-UHFFFAOYSA-N 1 0 361.446 2.005 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000289712951 552366263 /nfs/dbraw/zinc/36/62/63/552366263.db2.gz HUGOBUJYWRZXIZ-UHFFFAOYSA-N 1 0 362.430 2.486 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000289790131 552378637 /nfs/dbraw/zinc/37/86/37/552378637.db2.gz ISEQTDWYUWBMAU-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1cc(C[N@H+](C)CCC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289849027 552388695 /nfs/dbraw/zinc/38/86/95/552388695.db2.gz UWOGLHGHBVHFGV-UHFFFAOYSA-N 1 0 373.409 2.490 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290152979 552435715 /nfs/dbraw/zinc/43/57/15/552435715.db2.gz NIOKYEBWGXBYLO-CVEARBPZSA-N 1 0 361.445 2.223 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290179457 552439074 /nfs/dbraw/zinc/43/90/74/552439074.db2.gz PMCWOCDRGUIEKJ-INIZCTEOSA-N 1 0 369.425 2.242 20 5 FEBDRO NC(=O)c1ccnc(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000290469749 552483897 /nfs/dbraw/zinc/48/38/97/552483897.db2.gz GNUWDFRYCGFOGJ-UHFFFAOYSA-N 1 0 355.398 2.165 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000290551374 552497046 /nfs/dbraw/zinc/49/70/46/552497046.db2.gz RUWHOPHOHLRBGG-ZDUSSCGKSA-N 1 0 363.414 2.056 20 5 FEBDRO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000290753100 552532148 /nfs/dbraw/zinc/53/21/48/552532148.db2.gz JASSRDLVTKWWOC-HNNXBMFYSA-N 1 0 369.425 2.190 20 5 FEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000501153878 561591371 /nfs/dbraw/zinc/59/13/71/561591371.db2.gz DFKVNCCECWTLHE-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000291014731 552576249 /nfs/dbraw/zinc/57/62/49/552576249.db2.gz UXCAFFKHWSMCHL-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(N2CCCNC2=O)cc1 ZINC000291345143 552616842 /nfs/dbraw/zinc/61/68/42/552616842.db2.gz XEYMPJPYRBAGBD-CYBMUJFWSA-N 1 0 358.402 2.062 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000291656850 552647931 /nfs/dbraw/zinc/64/79/31/552647931.db2.gz XCOZXBPYUWUAHP-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1SC ZINC000292382695 552721593 /nfs/dbraw/zinc/72/15/93/552721593.db2.gz XMLSGKGVHFNDKE-KRWDZBQOSA-N 1 0 365.455 2.493 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292655165 552746841 /nfs/dbraw/zinc/74/68/41/552746841.db2.gz LGZWYIQWFKPGAM-ZDUSSCGKSA-N 1 0 351.403 2.023 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])c1F ZINC000292856220 552765655 /nfs/dbraw/zinc/76/56/55/552765655.db2.gz QYKAVMMYYGTYCU-MRXNPFEDSA-N 1 0 371.434 2.149 20 5 FEBDRO C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294393236 552902531 /nfs/dbraw/zinc/90/25/31/552902531.db2.gz SDSMMPSHVHBOLG-HZMBPMFUSA-N 1 0 362.352 2.091 20 5 FEBDRO O=c1cc2c(n[nH]1)CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000294678452 552925990 /nfs/dbraw/zinc/92/59/90/552925990.db2.gz SLDJDROWPLSLBC-UHFFFAOYSA-N 1 0 354.288 2.255 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000294921945 552944367 /nfs/dbraw/zinc/94/43/67/552944367.db2.gz INRHHTAAUPCBBX-OLZOCXBDSA-N 1 0 360.414 2.043 20 5 FEBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502015575 561610032 /nfs/dbraw/zinc/61/00/32/561610032.db2.gz HLYRDEGOIZLKLZ-XJKSGUPXSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502015063 561610072 /nfs/dbraw/zinc/61/00/72/561610072.db2.gz FZBBVCCOKRGFDC-CZUORRHYSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295633441 553036545 /nfs/dbraw/zinc/03/65/45/553036545.db2.gz BXJMEOJVUNWDED-CQSZACIVSA-N 1 0 365.430 2.415 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc([N+](=O)[O-])c1 ZINC000295917590 553075815 /nfs/dbraw/zinc/07/58/15/553075815.db2.gz OMVXUKZYEFHXQG-CQSZACIVSA-N 1 0 372.381 2.338 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OCc1ccccc1 ZINC000296087945 553103074 /nfs/dbraw/zinc/10/30/74/553103074.db2.gz HJDJEVVFXOPIAL-KURKYZTESA-N 1 0 374.441 2.126 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296482014 553167271 /nfs/dbraw/zinc/16/72/71/553167271.db2.gz YJLMUGLRPPOLCK-RRQGHBQHSA-N 1 0 350.415 2.272 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000298075643 553380882 /nfs/dbraw/zinc/38/08/82/553380882.db2.gz JTZSRRXUDIJCOH-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000298342910 553414497 /nfs/dbraw/zinc/41/44/97/553414497.db2.gz MBGLPADYHJDCCE-CQSZACIVSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000298391031 553419745 /nfs/dbraw/zinc/41/97/45/553419745.db2.gz IBBRWDITZWKCPC-QGZVFWFLSA-N 1 0 363.462 2.297 20 5 FEBDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)OC ZINC000298567078 553441957 /nfs/dbraw/zinc/44/19/57/553441957.db2.gz PZCVDZCZFXNMLO-LBPRGKRZSA-N 1 0 367.402 2.206 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000298967558 553496421 /nfs/dbraw/zinc/49/64/21/553496421.db2.gz KJVIXARBPGMHPP-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000298968417 553496885 /nfs/dbraw/zinc/49/68/85/553496885.db2.gz PAPQQRZPRSMXTK-YIONKMFJSA-N 1 0 374.441 2.234 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299025459 553505238 /nfs/dbraw/zinc/50/52/38/553505238.db2.gz OALSGMGYEURUHF-UHFFFAOYSA-N 1 0 373.457 2.224 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000299079087 553512573 /nfs/dbraw/zinc/51/25/73/553512573.db2.gz TYYASUCQJDYMFM-ROUUACIJSA-N 1 0 363.414 2.479 20 5 FEBDRO CC(C)[NH+](CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000503982476 561651291 /nfs/dbraw/zinc/65/12/91/561651291.db2.gz MFJCYGIYAHCUMH-UHFFFAOYSA-N 1 0 361.439 2.473 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000299378522 553555467 /nfs/dbraw/zinc/55/54/67/553555467.db2.gz WCYSDWRVVFKCNF-OAHLLOKOSA-N 1 0 355.398 2.111 20 5 FEBDRO CC[NH+]1CCN(CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299388978 553556504 /nfs/dbraw/zinc/55/65/04/553556504.db2.gz DHAOYACLBVRRPS-UHFFFAOYSA-N 1 0 370.457 2.410 20 5 FEBDRO CCOC(=O)N1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000299454643 553565414 /nfs/dbraw/zinc/56/54/14/553565414.db2.gz ADMQERHJTPYGHI-UHFFFAOYSA-N 1 0 364.402 2.088 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301085687 553620803 /nfs/dbraw/zinc/62/08/03/553620803.db2.gz JEFJXODSSXEFGA-NSHDSACASA-N 1 0 352.391 2.448 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000301266513 553637539 /nfs/dbraw/zinc/63/75/39/553637539.db2.gz PVCTXOXJDOFBKE-QWRGUYRKSA-N 1 0 358.236 2.249 20 5 FEBDRO COc1cccc([C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[NH+](C)C)c1 ZINC000301834566 553683864 /nfs/dbraw/zinc/68/38/64/553683864.db2.gz KLSPIFJBPYKYOA-CQSZACIVSA-N 1 0 356.386 2.361 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000330421971 554119833 /nfs/dbraw/zinc/11/98/33/554119833.db2.gz QLFXJMAXPNXNGC-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330912007 554187117 /nfs/dbraw/zinc/18/71/17/554187117.db2.gz ZMPOABGZTQXCRV-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000331158122 554223123 /nfs/dbraw/zinc/22/31/23/554223123.db2.gz ZHYKNIZUCASIRC-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000509006578 561781209 /nfs/dbraw/zinc/78/12/09/561781209.db2.gz YVMPEWNSHVYCHF-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000332021948 554365144 /nfs/dbraw/zinc/36/51/44/554365144.db2.gz RCCSOYLWEISQLW-BLLLJJGKSA-N 1 0 367.471 2.331 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C ZINC000332088412 554377774 /nfs/dbraw/zinc/37/77/74/554377774.db2.gz UAEISEABJQPPSR-GDBMZVCRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000332091773 554378734 /nfs/dbraw/zinc/37/87/34/554378734.db2.gz VVGJFHZTCWEVPU-GOEBONIOSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000332224889 554404459 /nfs/dbraw/zinc/40/44/59/554404459.db2.gz LXBLMMOJTVIDCW-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332564705 554472586 /nfs/dbraw/zinc/47/25/86/554472586.db2.gz WNXVQDRBCUETET-LBPRGKRZSA-N 1 0 366.393 2.451 20 5 FEBDRO C[C@@H]1C[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000510190120 561827579 /nfs/dbraw/zinc/82/75/79/561827579.db2.gz DFHDGFDUGYSFLS-WBVHZDCISA-N 1 0 371.441 2.208 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000510739027 561844982 /nfs/dbraw/zinc/84/49/82/561844982.db2.gz BHZUTSBWNMBNCX-LBPRGKRZSA-N 1 0 363.414 2.382 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000511020421 561854194 /nfs/dbraw/zinc/85/41/94/561854194.db2.gz VIZKSYCJRLZNTK-WQVCFCJDSA-N 1 0 360.414 2.055 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000511000753 561853474 /nfs/dbraw/zinc/85/34/74/561853474.db2.gz SJKCZLWYYDTPSP-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000359960277 554857468 /nfs/dbraw/zinc/85/74/68/554857468.db2.gz ZGSOYHZPIFKXTE-LBPRGKRZSA-N 1 0 359.835 2.107 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853515 554893077 /nfs/dbraw/zinc/89/30/77/554893077.db2.gz YBZJFZAGLISLML-RDJZCZTQSA-N 1 0 360.458 2.001 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141084 554905838 /nfs/dbraw/zinc/90/58/38/554905838.db2.gz IJYFXULWXOKXSA-ZFWWWQNUSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000361491483 554921815 /nfs/dbraw/zinc/92/18/15/554921815.db2.gz VIDLZFORMYNILK-DOTOQJQBSA-N 1 0 371.441 2.160 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290414 554961130 /nfs/dbraw/zinc/96/11/30/554961130.db2.gz RODBERZZWFBKRK-IUODEOHRSA-N 1 0 362.386 2.286 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000362736920 554985542 /nfs/dbraw/zinc/98/55/42/554985542.db2.gz PHHREKIGCQQDMZ-UHFFFAOYSA-N 1 0 350.375 2.307 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2cccn2)CC1 ZINC000362968040 555003747 /nfs/dbraw/zinc/00/37/47/555003747.db2.gz YOHFUHFAVHFROY-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511752640 561879648 /nfs/dbraw/zinc/87/96/48/561879648.db2.gz ACIQPXIPCPXNCO-MRXNPFEDSA-N 1 0 371.441 2.359 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256148 555065316 /nfs/dbraw/zinc/06/53/16/555065316.db2.gz HKTKMMICEROVGL-VBNZEHGJSA-N 1 0 360.370 2.059 20 5 FEBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414026 555099855 /nfs/dbraw/zinc/09/98/55/555099855.db2.gz JGVNAQGTPCEILX-KBAYOESNSA-N 1 0 359.426 2.377 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422735 555101860 /nfs/dbraw/zinc/10/18/60/555101860.db2.gz IXHGJUNWTZJYLY-UPJWGTAASA-N 1 0 353.444 2.276 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000363732843 555174674 /nfs/dbraw/zinc/17/46/74/555174674.db2.gz DEHRGDDBHWNBPK-HOTGVXAUSA-N 1 0 359.357 2.309 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000363956741 555221434 /nfs/dbraw/zinc/22/14/34/555221434.db2.gz AXVUZEZMHQEXBL-INIZCTEOSA-N 1 0 357.414 2.046 20 5 FEBDRO COC(=O)c1cn([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994530 555229599 /nfs/dbraw/zinc/22/95/99/555229599.db2.gz BMGXNGKLLAPLCB-SWLSCSKDSA-N 1 0 359.386 2.371 20 5 FEBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018960 555234565 /nfs/dbraw/zinc/23/45/65/555234565.db2.gz GZTLOCVPFCDGML-ROUUACIJSA-N 1 0 374.441 2.399 20 5 FEBDRO COCC[C@@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138650 555257103 /nfs/dbraw/zinc/25/71/03/555257103.db2.gz KIWLXWSLAPYLJM-RDJZCZTQSA-N 1 0 352.431 2.473 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364195279 555267393 /nfs/dbraw/zinc/26/73/93/555267393.db2.gz MBKJHXVUZPPRHY-GJZGRUSLSA-N 1 0 358.373 2.099 20 5 FEBDRO COc1cc(CCNC(=O)C[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000364260242 555279892 /nfs/dbraw/zinc/27/98/92/555279892.db2.gz VAVYTOTVVYWARK-ZDUSSCGKSA-N 1 0 365.430 2.051 20 5 FEBDRO C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364383259 555303191 /nfs/dbraw/zinc/30/31/91/555303191.db2.gz UYMAFXDMGJZWIK-SJLPKXTDSA-N 1 0 371.441 2.128 20 5 FEBDRO Cn1cc([C@H]2[C@H](C[NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CC(=O)N2C)cn1 ZINC000364543078 555333507 /nfs/dbraw/zinc/33/35/07/555333507.db2.gz PFRFQRSIHQTVFK-ZPASTWNFSA-N 1 0 369.425 2.151 20 5 FEBDRO COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764096 555396676 /nfs/dbraw/zinc/39/66/76/555396676.db2.gz KJLPLIXAOXZJRS-STQMWFEESA-N 1 0 363.414 2.361 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC[N@@H+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000364836480 555411586 /nfs/dbraw/zinc/41/15/86/555411586.db2.gz BQZMRUYMSHLESW-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364871152 555420904 /nfs/dbraw/zinc/42/09/04/555420904.db2.gz QXNNSOGXIDNOTA-INIZCTEOSA-N 1 0 374.485 2.418 20 5 FEBDRO COc1cc(C[NH2+]CCn2cc(Br)cn2)c([N+](=O)[O-])cc1O ZINC000512977104 561921601 /nfs/dbraw/zinc/92/16/01/561921601.db2.gz GJEFNEMLRYIPRV-UHFFFAOYSA-N 1 0 371.191 2.058 20 5 FEBDRO Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231871 555517682 /nfs/dbraw/zinc/51/76/82/555517682.db2.gz ZWUJHAGMKDWKFL-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000365251823 555523370 /nfs/dbraw/zinc/52/33/70/555523370.db2.gz YYRQDAYMPVAGSV-CYBMUJFWSA-N 1 0 358.398 2.432 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000365376419 555557685 /nfs/dbraw/zinc/55/76/85/555557685.db2.gz BTVNVOAQTYZASE-KBPBESRZSA-N 1 0 365.434 2.123 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000365825656 555676132 /nfs/dbraw/zinc/67/61/32/555676132.db2.gz PPDQKZKBIFEXOW-UHFFFAOYSA-N 1 0 369.425 2.435 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000366456544 555848759 /nfs/dbraw/zinc/84/87/59/555848759.db2.gz AFQVIWCXZWFEDQ-CJNGLKHVSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366571786 555879048 /nfs/dbraw/zinc/87/90/48/555879048.db2.gz RHHIQSVCCXGWLX-UONOGXRCSA-N 1 0 365.455 2.047 20 5 FEBDRO CCOc1cc(NC(=O)N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000514719373 561975740 /nfs/dbraw/zinc/97/57/40/561975740.db2.gz INTXLJJWGRFOHD-LLVKDONJSA-N 1 0 352.391 2.218 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000367674192 556111046 /nfs/dbraw/zinc/11/10/46/556111046.db2.gz UNWUHVWETUYCHG-HNNXBMFYSA-N 1 0 373.457 2.195 20 5 FEBDRO C[N@H+](C[C@@H]1CC12CCN(C(=O)Nc1ccncc1[N+](=O)[O-])CC2)C1CC1 ZINC000367794615 556141102 /nfs/dbraw/zinc/14/11/02/556141102.db2.gz UQVKEUFLJOJPIX-ZDUSSCGKSA-N 1 0 359.430 2.140 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000367838562 556151800 /nfs/dbraw/zinc/15/18/00/556151800.db2.gz FVXUCNXDXHRWJY-INIZCTEOSA-N 1 0 355.797 2.484 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+](C)C)cc1 ZINC000514980603 561989884 /nfs/dbraw/zinc/98/98/84/561989884.db2.gz FIXICVSMYYXACD-MRXNPFEDSA-N 1 0 358.398 2.291 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000515013772 561991981 /nfs/dbraw/zinc/99/19/81/561991981.db2.gz IDYKTPIWRSDZHH-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000515134430 561997517 /nfs/dbraw/zinc/99/75/17/561997517.db2.gz QJSUKLQHLYEPKJ-AWEZNQCLSA-N 1 0 362.430 2.099 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000368322171 556278221 /nfs/dbraw/zinc/27/82/21/556278221.db2.gz AEKWNZVYDUUHSN-UHFFFAOYSA-N 1 0 369.425 2.109 20 5 FEBDRO Cc1cc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000368328506 556279585 /nfs/dbraw/zinc/27/95/85/556279585.db2.gz PQZLRJQQWSGJPF-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCc2cccnc21 ZINC000368368862 556289724 /nfs/dbraw/zinc/28/97/24/556289724.db2.gz CSKKKCVTTLZHOR-KRWDZBQOSA-N 1 0 372.425 2.178 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000368612461 556362369 /nfs/dbraw/zinc/36/23/69/556362369.db2.gz KPJCJUVBJPDDIH-SJORKVTESA-N 1 0 364.442 2.473 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000368615159 556363811 /nfs/dbraw/zinc/36/38/11/556363811.db2.gz RUXGASYMAHIHRE-BRWVUGGUSA-N 1 0 364.442 2.473 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368821041 556422490 /nfs/dbraw/zinc/42/24/90/556422490.db2.gz AGWSNOZDZKPBEU-DPYIKZRWSA-N 1 0 359.426 2.056 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000369097796 556504362 /nfs/dbraw/zinc/50/43/62/556504362.db2.gz NKEZNVSJCHHHQQ-MRXNPFEDSA-N 1 0 363.462 2.275 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000369120826 556509695 /nfs/dbraw/zinc/50/96/95/556509695.db2.gz ZBVDSWYSFZUIJI-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000516354951 562040615 /nfs/dbraw/zinc/04/06/15/562040615.db2.gz CONQRLNZDGTYDX-IUODEOHRSA-N 1 0 351.451 2.129 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000369844777 556710688 /nfs/dbraw/zinc/71/06/88/556710688.db2.gz FQGOMMQAHXSWCS-YEWDVWPNSA-N 1 0 360.414 2.274 20 5 FEBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000369855101 556713511 /nfs/dbraw/zinc/71/35/11/556713511.db2.gz CKKAFCKCBMSSRC-GOSISDBHSA-N 1 0 363.414 2.193 20 5 FEBDRO C[C@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369883066 556721026 /nfs/dbraw/zinc/72/10/26/556721026.db2.gz PGIIEORISYSRDO-ZDUSSCGKSA-N 1 0 355.398 2.340 20 5 FEBDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000370028069 556761643 /nfs/dbraw/zinc/76/16/43/556761643.db2.gz PGKMQRMHXSSAMQ-UHFFFAOYSA-N 1 0 361.377 2.281 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(c3nc(C)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000370377624 556854695 /nfs/dbraw/zinc/85/46/95/556854695.db2.gz TVOAUPUTTCATKB-UHFFFAOYSA-N 1 0 361.402 2.288 20 5 FEBDRO Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000370426151 556869120 /nfs/dbraw/zinc/86/91/20/556869120.db2.gz WBRXUJVSKAFNSU-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000370503407 556893023 /nfs/dbraw/zinc/89/30/23/556893023.db2.gz SJKKRDCHOYXXNS-HNNXBMFYSA-N 1 0 355.394 2.493 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689123 556940771 /nfs/dbraw/zinc/94/07/71/556940771.db2.gz KBGVKHFOBRDKAV-QZTJIDSGSA-N 1 0 374.441 2.132 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927439 557019023 /nfs/dbraw/zinc/01/90/23/557019023.db2.gz IHZULUYRBLUJQJ-YJBOKZPZSA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1nc(N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216598 562080031 /nfs/dbraw/zinc/08/00/31/562080031.db2.gz KIYFMFBZDOBIID-WMLDXEAASA-N 1 0 357.414 2.395 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)CCCC2)CC1 ZINC000517408748 562089039 /nfs/dbraw/zinc/08/90/39/562089039.db2.gz CYHIAHGUXMJUJI-UHFFFAOYSA-N 1 0 350.419 2.076 20 5 FEBDRO C[NH+]1CCC(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)CC1 ZINC000372529570 557494260 /nfs/dbraw/zinc/49/42/60/557494260.db2.gz RSTQAMKMFSINNV-HKUYNNGSSA-N 1 0 372.469 2.336 20 5 FEBDRO O=C(CC[NH2+]C1(CO)Cc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372598993 557516606 /nfs/dbraw/zinc/51/66/06/557516606.db2.gz JDYCYPAZPPQCER-UHFFFAOYSA-N 1 0 373.384 2.182 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372602075 557517613 /nfs/dbraw/zinc/51/76/13/557517613.db2.gz VMJSPHLSQNCRNR-LLVKDONJSA-N 1 0 362.365 2.060 20 5 FEBDRO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519777563 562143588 /nfs/dbraw/zinc/14/35/88/562143588.db2.gz VWENNSURUXWWBR-AAEUAGOBSA-N 1 0 371.384 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H](c2nccn2C)C1 ZINC000373049009 557616774 /nfs/dbraw/zinc/61/67/74/557616774.db2.gz XVPDIBGEHTZPRJ-ZDUSSCGKSA-N 1 0 373.413 2.426 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000373050398 557617078 /nfs/dbraw/zinc/61/70/78/557617078.db2.gz XYAKDZQUNNHSHT-OAHLLOKOSA-N 1 0 359.474 2.027 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000373106720 557630023 /nfs/dbraw/zinc/63/00/23/557630023.db2.gz LZSXVUNOHURADN-OAHLLOKOSA-N 1 0 356.382 2.042 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519847427 562146385 /nfs/dbraw/zinc/14/63/85/562146385.db2.gz BUBZNKKHBLWUMK-ZDUSSCGKSA-N 1 0 365.430 2.145 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000520072024 562149004 /nfs/dbraw/zinc/14/90/04/562149004.db2.gz RKTUHTUPTRZBTQ-OAHLLOKOSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1cc(CN2CC[NH+]([C@@H]3CCSC3)CC2)c([N+](=O)[O-])cc1F ZINC000373322223 557671903 /nfs/dbraw/zinc/67/19/03/557671903.db2.gz AQBQRZMOIHZBLR-CYBMUJFWSA-N 1 0 355.435 2.366 20 5 FEBDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568369 557719937 /nfs/dbraw/zinc/71/99/37/557719937.db2.gz QJSSATWRKODLDW-FUHWJXTLSA-N 1 0 374.441 2.485 20 5 FEBDRO C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)(C(F)(F)F)CC1 ZINC000373663687 557733429 /nfs/dbraw/zinc/73/34/29/557733429.db2.gz WMDIIAIAHIIATP-UHFFFAOYSA-N 1 0 361.320 2.117 20 5 FEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373809055 557763769 /nfs/dbraw/zinc/76/37/69/557763769.db2.gz HQOHMUWKKAMYSF-KDOFPFPSSA-N 1 0 363.414 2.193 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374319341 557864679 /nfs/dbraw/zinc/86/46/79/557864679.db2.gz XQBGOMLWAGOAKR-CVEARBPZSA-N 1 0 355.394 2.188 20 5 FEBDRO O=C(NCC1CCOCC1)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000374392303 557877757 /nfs/dbraw/zinc/87/77/57/557877757.db2.gz SHFYILOSFQWWBT-GOSISDBHSA-N 1 0 361.442 2.145 20 5 FEBDRO O=C1[C@@H](N2CCC([C@@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604962 557905627 /nfs/dbraw/zinc/90/56/27/557905627.db2.gz OOHFLYHSJQFVEA-QAPCUYQASA-N 1 0 359.426 2.449 20 5 FEBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000375963681 558106110 /nfs/dbraw/zinc/10/61/10/558106110.db2.gz KQLCNLYWIDFJLW-MRXNPFEDSA-N 1 0 356.338 2.120 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1[N+](=O)[O-] ZINC000375986333 558109975 /nfs/dbraw/zinc/10/99/75/558109975.db2.gz HVDBEQIESKPKQV-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375989025 558110462 /nfs/dbraw/zinc/11/04/62/558110462.db2.gz HRRQSOCXIZRHQT-MRXNPFEDSA-N 1 0 370.365 2.428 20 5 FEBDRO CCc1cc(N[C@@H]2CC[N@H+](CCOC)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000521667054 562181619 /nfs/dbraw/zinc/18/16/19/562181619.db2.gz PHKJNXYAXWNDDO-MRXNPFEDSA-N 1 0 371.441 2.169 20 5 FEBDRO COCC[C@@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376889 558164920 /nfs/dbraw/zinc/16/49/20/558164920.db2.gz QEJGUSMLHHXBIN-JKSUJKDBSA-N 1 0 352.431 2.473 20 5 FEBDRO Cc1nc(CN(C)[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)no1 ZINC000376394045 558167606 /nfs/dbraw/zinc/16/76/06/558167606.db2.gz GTPIMSOYLGRETG-CQSZACIVSA-N 1 0 360.418 2.359 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC[NH2+]1 ZINC000377076265 558261072 /nfs/dbraw/zinc/26/10/72/558261072.db2.gz FNVVGOURGNLFAT-YMFLFHJQSA-N 1 0 372.469 2.383 20 5 FEBDRO Cn1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000377085456 558262853 /nfs/dbraw/zinc/26/28/53/558262853.db2.gz ZOSJLUFPXGMKIA-HZPDHXFCSA-N 1 0 355.398 2.101 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000377283590 558306299 /nfs/dbraw/zinc/30/62/99/558306299.db2.gz RYSLAQQCUQDULR-KBPBESRZSA-N 1 0 359.835 2.140 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000522530622 562199479 /nfs/dbraw/zinc/19/94/79/562199479.db2.gz NEGXAZUASZWRRQ-UHFFFAOYSA-N 1 0 359.430 2.295 20 5 FEBDRO CC[NH+]1CCC(N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2CC2)CC1 ZINC000378300772 558524146 /nfs/dbraw/zinc/52/41/46/558524146.db2.gz ZIQQXDPLMUIYAJ-UHFFFAOYSA-N 1 0 372.469 2.433 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000378383420 558544823 /nfs/dbraw/zinc/54/48/23/558544823.db2.gz JRKRXIGBDXTIJG-UHFFFAOYSA-N 1 0 373.413 2.295 20 5 FEBDRO Cn1cc(N2CC[C@@H]([NH2+]Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)cn1 ZINC000378475305 558566068 /nfs/dbraw/zinc/56/60/68/558566068.db2.gz OUMXSPCCGOGSTG-GFCCVEGCSA-N 1 0 367.356 2.298 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397275872 558624489 /nfs/dbraw/zinc/62/44/89/558624489.db2.gz PTHIWNDZLJWXJA-OUAUKWLOSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1C ZINC000408059540 558641806 /nfs/dbraw/zinc/64/18/06/558641806.db2.gz QKJXXEQCYMNTKH-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067365 562223655 /nfs/dbraw/zinc/22/36/55/562223655.db2.gz MQWIYUXZSSLWKQ-SJKOYZFVSA-N 1 0 362.382 2.350 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000408340606 558668838 /nfs/dbraw/zinc/66/88/38/558668838.db2.gz WPCNORUWBFECKS-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524737078 562233442 /nfs/dbraw/zinc/23/34/42/562233442.db2.gz FPKFBPZPJNBACQ-JSGCOSHPSA-N 1 0 357.414 2.208 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525255442 562244178 /nfs/dbraw/zinc/24/41/78/562244178.db2.gz IRGCSVAAIMAJFB-HNNXBMFYSA-N 1 0 350.419 2.099 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411228692 558856828 /nfs/dbraw/zinc/85/68/28/558856828.db2.gz RMNSCVIENLSVID-KBPBESRZSA-N 1 0 362.430 2.221 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411341388 558880227 /nfs/dbraw/zinc/88/02/27/558880227.db2.gz CPLAPXGMVICGTD-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000525493428 562249310 /nfs/dbraw/zinc/24/93/10/562249310.db2.gz ZXUGQYBRRADAGL-IBGZPJMESA-N 1 0 370.409 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000411473579 558901188 /nfs/dbraw/zinc/90/11/88/558901188.db2.gz OZRKWIGPIJBIEU-VXGBXAGGSA-N 1 0 351.378 2.028 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000411496892 558905838 /nfs/dbraw/zinc/90/58/38/558905838.db2.gz NEIBIKSHHLCQFV-UHFFFAOYSA-N 1 0 374.441 2.283 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000411598343 558926642 /nfs/dbraw/zinc/92/66/42/558926642.db2.gz XEVKOMUHTLNGJS-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411601732 558927141 /nfs/dbraw/zinc/92/71/41/558927141.db2.gz BBDQZWNYIGQTED-XQQFMLRXSA-N 1 0 351.403 2.430 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)CN1CCCC1 ZINC000411879990 558981662 /nfs/dbraw/zinc/98/16/62/558981662.db2.gz SNCWVFVUBVMTSZ-UHFFFAOYSA-N 1 0 364.446 2.396 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC2CC[NH+](C)CC2)c1F ZINC000412015417 559002590 /nfs/dbraw/zinc/00/25/90/559002590.db2.gz SKGSXUOAJLWBPG-UHFFFAOYSA-N 1 0 353.394 2.085 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412059232 559007924 /nfs/dbraw/zinc/00/79/24/559007924.db2.gz WTYDXBSLWGOIEG-OAHLLOKOSA-N 1 0 374.441 2.400 20 5 FEBDRO COc1ccc(OCC[N@H+](C)C(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000412093275 559012854 /nfs/dbraw/zinc/01/28/54/559012854.db2.gz OFWXNRAARCFFIE-UHFFFAOYSA-N 1 0 367.446 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1F ZINC000412122676 559015761 /nfs/dbraw/zinc/01/57/61/559015761.db2.gz GRMNLQBLRWLOEK-WCQYABFASA-N 1 0 353.394 2.084 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412165235 559017767 /nfs/dbraw/zinc/01/77/67/559017767.db2.gz UKJNBJMMTAETTB-LBPRGKRZSA-N 1 0 353.394 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1F ZINC000412279304 559024598 /nfs/dbraw/zinc/02/45/98/559024598.db2.gz AMQLJNGJQSQQRT-CQSZACIVSA-N 1 0 353.394 2.084 20 5 FEBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)c1ccco1 ZINC000412328563 559028093 /nfs/dbraw/zinc/02/80/93/559028093.db2.gz CCEFNYDNQWCGHU-YPMHNXCESA-N 1 0 361.402 2.484 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1F ZINC000412343907 559029296 /nfs/dbraw/zinc/02/92/96/559029296.db2.gz WPFUQEVICJDNBF-CHWSQXEVSA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1F ZINC000412349975 559029943 /nfs/dbraw/zinc/02/99/43/559029943.db2.gz WDPXYUDLRKFAPC-GXTWGEPZSA-N 1 0 365.405 2.370 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000526067324 562265881 /nfs/dbraw/zinc/26/58/81/562265881.db2.gz JFEUMKHGDCGBFC-UHFFFAOYSA-N 1 0 359.430 2.409 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000413062448 559073939 /nfs/dbraw/zinc/07/39/39/559073939.db2.gz RBTZXCGHIADEPG-UHFFFAOYSA-N 1 0 359.405 2.488 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413347495 559100529 /nfs/dbraw/zinc/10/05/29/559100529.db2.gz LDTKYFDULRDTCA-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000413527544 559114190 /nfs/dbraw/zinc/11/41/90/559114190.db2.gz FINDPUMLDHOCPK-SJLPKXTDSA-N 1 0 371.441 2.642 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1F ZINC000413630163 559121465 /nfs/dbraw/zinc/12/14/65/559121465.db2.gz KIRGPNWCEHBMDH-TZMCWYRMSA-N 1 0 365.405 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1F ZINC000413722110 559126985 /nfs/dbraw/zinc/12/69/85/559126985.db2.gz PIGJZKXEXYNGJK-NSHDSACASA-N 1 0 351.378 2.052 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000414192951 559152368 /nfs/dbraw/zinc/15/23/68/559152368.db2.gz UCSOODPDXSSCNE-INIZCTEOSA-N 1 0 363.458 2.435 20 5 FEBDRO Cc1cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000414439450 559164030 /nfs/dbraw/zinc/16/40/30/559164030.db2.gz FYVUIZXDJUNNRG-UHFFFAOYSA-N 1 0 350.400 2.473 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000527046677 562274528 /nfs/dbraw/zinc/27/45/28/562274528.db2.gz URFNIDUMSQEMPV-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO CCOc1cc(NC(=O)N(C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC ZINC000414758768 559185640 /nfs/dbraw/zinc/18/56/40/559185640.db2.gz NMHVJFMXQJYLKX-UHFFFAOYSA-N 1 0 352.391 2.346 20 5 FEBDRO COc1cc(CN2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414772319 559186807 /nfs/dbraw/zinc/18/68/07/559186807.db2.gz QWDWQBRPFQVCDI-ONGXEEELSA-N 1 0 363.336 2.466 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCCC[C@H]2CCC[NH2+]2)c(C)c([N+](=O)[O-])c1 ZINC000415602654 559254426 /nfs/dbraw/zinc/25/44/26/559254426.db2.gz SFMPEEHXSJGSMM-CYBMUJFWSA-N 1 0 364.402 2.344 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415707420 559264063 /nfs/dbraw/zinc/26/40/63/559264063.db2.gz VZWQOGWYMOBOSP-UFBFGSQYSA-N 1 0 357.208 2.477 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415709271 559264064 /nfs/dbraw/zinc/26/40/64/559264064.db2.gz YEVZTVIDKWGLIV-PELKAZGASA-N 1 0 357.208 2.477 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415707416 559264181 /nfs/dbraw/zinc/26/41/81/559264181.db2.gz VZWQOGWYMOBOSP-PRHODGIISA-N 1 0 357.208 2.477 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415842488 559277480 /nfs/dbraw/zinc/27/74/80/559277480.db2.gz WUKGCLFULXQBHD-NWDGAFQWSA-N 1 0 362.430 2.074 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415868491 559280118 /nfs/dbraw/zinc/28/01/18/559280118.db2.gz LZOAQYLQAOHOTK-ZDUSSCGKSA-N 1 0 362.430 2.089 20 5 FEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2C1 ZINC000415963563 559285375 /nfs/dbraw/zinc/28/53/75/559285375.db2.gz RKYNBLUYRQPRTH-OAHLLOKOSA-N 1 0 367.409 2.396 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416410215 559310883 /nfs/dbraw/zinc/31/08/83/559310883.db2.gz DZNSHZZKNNOUSO-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416412179 559311119 /nfs/dbraw/zinc/31/11/19/559311119.db2.gz MCQPGUAEVQBCGS-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000416548661 559321083 /nfs/dbraw/zinc/32/10/83/559321083.db2.gz BNZNMECPARAMLV-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO [NH3+]CCCCNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416889627 559336765 /nfs/dbraw/zinc/33/67/65/559336765.db2.gz QGEYQAZLFAXDKF-UHFFFAOYSA-N 1 0 363.340 2.064 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000417195421 559352292 /nfs/dbraw/zinc/35/22/92/559352292.db2.gz RXCGNTQPLKSVTM-OAHLLOKOSA-N 1 0 362.430 2.277 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417234921 559354126 /nfs/dbraw/zinc/35/41/26/559354126.db2.gz QNMCLDKRUDBSII-SFHVURJKSA-N 1 0 354.410 2.324 20 5 FEBDRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304424 559356697 /nfs/dbraw/zinc/35/66/97/559356697.db2.gz CDGSPDPVUSSVCZ-CXAGYDPISA-N 1 0 367.471 2.233 20 5 FEBDRO CCOCCOC[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319370 559357287 /nfs/dbraw/zinc/35/72/87/559357287.db2.gz BYSRZNQGWSJHAJ-SJLPKXTDSA-N 1 0 352.431 2.366 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417325274 559357726 /nfs/dbraw/zinc/35/77/26/559357726.db2.gz BOZOPNGKBYDCFK-CJNGLKHVSA-N 1 0 355.460 2.280 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)F ZINC000418088356 559389761 /nfs/dbraw/zinc/38/97/61/559389761.db2.gz KEHFZPHQFZDOFI-SNVBAGLBSA-N 1 0 370.278 2.395 20 5 FEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096873 559390053 /nfs/dbraw/zinc/39/00/53/559390053.db2.gz XRDHEMGYTJOAKU-MWLCHTKSSA-N 1 0 360.336 2.492 20 5 FEBDRO [NH3+]C[C@H](NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000418374461 559399537 /nfs/dbraw/zinc/39/95/37/559399537.db2.gz GUTABEPCTHPPMW-INIZCTEOSA-N 1 0 362.430 2.406 20 5 FEBDRO [NH3+]CCCCNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000420227768 559477025 /nfs/dbraw/zinc/47/70/25/559477025.db2.gz CUYKBLUCVQOGPU-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370785 559483409 /nfs/dbraw/zinc/48/34/09/559483409.db2.gz CVTUISVOTKEZPZ-KBXCAEBGSA-N 1 0 360.414 2.454 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420394858 559485214 /nfs/dbraw/zinc/48/52/14/559485214.db2.gz SDRIPGGGSCGIJI-DLBZAZTESA-N 1 0 372.400 2.408 20 5 FEBDRO CN(C(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000420410888 559486267 /nfs/dbraw/zinc/48/62/67/559486267.db2.gz RMSUCKBWHNUNMM-GOSISDBHSA-N 1 0 354.410 2.204 20 5 FEBDRO CC(C)(C)[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420447009 559487843 /nfs/dbraw/zinc/48/78/43/559487843.db2.gz IOXKLYKEPYATLU-LLVKDONJSA-N 1 0 369.365 2.265 20 5 FEBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000421028656 559520742 /nfs/dbraw/zinc/52/07/42/559520742.db2.gz HSCRDBWPEQBLNN-LLVKDONJSA-N 1 0 371.821 2.360 20 5 FEBDRO CCOc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000421699503 559549613 /nfs/dbraw/zinc/54/96/13/559549613.db2.gz BJXXUSBRGKUPEA-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421714798 559550605 /nfs/dbraw/zinc/55/06/05/559550605.db2.gz WKIXWFMYJWZRKZ-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000422034017 559561880 /nfs/dbraw/zinc/56/18/80/559561880.db2.gz ISRZYPKUSDSPAQ-CYBMUJFWSA-N 1 0 358.398 2.074 20 5 FEBDRO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032487 559615858 /nfs/dbraw/zinc/61/58/58/559615858.db2.gz FLPONQWHERNHJD-HUUCEWRRSA-N 1 0 369.487 2.269 20 5 FEBDRO CC(C)(NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000423274252 559624219 /nfs/dbraw/zinc/62/42/19/559624219.db2.gz LQIQTIBLNWOMOF-INIZCTEOSA-N 1 0 357.414 2.381 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCC(CC[NH2+]C)CC2)cc([N+](=O)[O-])c1 ZINC000423497512 559630326 /nfs/dbraw/zinc/63/03/26/559630326.db2.gz ZDJKASYVXYUBNP-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO COc1cc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc([N+](=O)[O-])c1C ZINC000423509894 559630748 /nfs/dbraw/zinc/63/07/48/559630748.db2.gz OVEVIDLXBYCHRO-ZDUSSCGKSA-N 1 0 356.382 2.375 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423979284 559648811 /nfs/dbraw/zinc/64/88/11/559648811.db2.gz BFNBWDKSRHTHQT-PIGZYNQJSA-N 1 0 351.403 2.059 20 5 FEBDRO CC(C)(C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)n1cc([N+](=O)[O-])cn1 ZINC000423980023 559648855 /nfs/dbraw/zinc/64/88/55/559648855.db2.gz RBVLBKKCRVBIAR-UHFFFAOYSA-N 1 0 364.431 2.089 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C[NH3+] ZINC000424075773 559653899 /nfs/dbraw/zinc/65/38/99/559653899.db2.gz PROUCWPBPRDENH-HZSPNIEDSA-N 1 0 357.414 2.226 20 5 FEBDRO CCN(CCC[NH+](C)C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000425259791 559693785 /nfs/dbraw/zinc/69/37/85/559693785.db2.gz VZBZKGVRLHVEBN-UHFFFAOYSA-N 1 0 350.463 2.205 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425429629 559702006 /nfs/dbraw/zinc/70/20/06/559702006.db2.gz AFABFWSCUYGBQZ-NWDGAFQWSA-N 1 0 356.220 2.491 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425548546 559709241 /nfs/dbraw/zinc/70/92/41/559709241.db2.gz NBAPICSUOKJQKO-CMPLNLGQSA-N 1 0 355.358 2.313 20 5 FEBDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000427130381 559748831 /nfs/dbraw/zinc/74/88/31/559748831.db2.gz HWUUMIJHIFZVKS-JQWIXIFHSA-N 1 0 357.357 2.389 20 5 FEBDRO CC[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000427201329 559750327 /nfs/dbraw/zinc/75/03/27/559750327.db2.gz ZHKOUEPTAHHVAH-INIZCTEOSA-N 1 0 371.441 2.378 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC1CC[NH+](CCO)CC1 ZINC000427982923 559766929 /nfs/dbraw/zinc/76/69/29/559766929.db2.gz HOJVHTAETPQUMW-UHFFFAOYSA-N 1 0 371.821 2.151 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000428051323 559768573 /nfs/dbraw/zinc/76/85/73/559768573.db2.gz YNEIVICBNCHNLW-CYBMUJFWSA-N 1 0 358.398 2.074 20 5 FEBDRO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000429016841 559788581 /nfs/dbraw/zinc/78/85/81/559788581.db2.gz BJBDCTABGFXPLX-UHFFFAOYSA-N 1 0 371.397 2.050 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000429180826 559792561 /nfs/dbraw/zinc/79/25/61/559792561.db2.gz YHRRKYMVFIYFHW-DGCLKSJQSA-N 1 0 353.444 2.032 20 5 FEBDRO O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000431041687 559833107 /nfs/dbraw/zinc/83/31/07/559833107.db2.gz XYOUMWZIQYMKNP-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000433852201 559888926 /nfs/dbraw/zinc/88/89/26/559888926.db2.gz LXBPEVGLHXEBOJ-AWEZNQCLSA-N 1 0 357.414 2.446 20 5 FEBDRO COc1cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380627 559921845 /nfs/dbraw/zinc/92/18/45/559921845.db2.gz SAJGVYOASYYPTR-WDEREUQCSA-N 1 0 359.373 2.416 20 5 FEBDRO COc1cccc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000435877783 559931620 /nfs/dbraw/zinc/93/16/20/559931620.db2.gz VAJIDIJVIIXEKA-UHFFFAOYSA-N 1 0 372.381 2.016 20 5 FEBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000436262696 559938782 /nfs/dbraw/zinc/93/87/82/559938782.db2.gz RBQNYRXEKNEIKB-GVDBMIGSSA-N 1 0 354.451 2.116 20 5 FEBDRO C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319266 559939750 /nfs/dbraw/zinc/93/97/50/559939750.db2.gz DHVQTIRFWBYBRK-ZIAGYGMSSA-N 1 0 364.446 2.142 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319262 559939756 /nfs/dbraw/zinc/93/97/56/559939756.db2.gz DHVQTIRFWBYBRK-KBPBESRZSA-N 1 0 364.446 2.142 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)c1 ZINC000436441394 559941757 /nfs/dbraw/zinc/94/17/57/559941757.db2.gz YBOHVJDNMIOTHS-JKSUJKDBSA-N 1 0 365.455 2.397 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000439479330 559995221 /nfs/dbraw/zinc/99/52/21/559995221.db2.gz TUECCOFLDIZTTK-GOSISDBHSA-N 1 0 366.414 2.395 20 5 FEBDRO COc1ccc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000440417725 560010758 /nfs/dbraw/zinc/01/07/58/560010758.db2.gz DWVXTYPOUMMXLY-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)C[NH+]1CCOCC1 ZINC000444657358 560117638 /nfs/dbraw/zinc/11/76/38/560117638.db2.gz CFZGUDPKKQEDSS-UHFFFAOYSA-N 1 0 361.446 2.261 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444987672 560126249 /nfs/dbraw/zinc/12/62/49/560126249.db2.gz DLEUUJOLDWJDJD-OCCSQVGLSA-N 1 0 350.419 2.326 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1C ZINC000445081100 560128371 /nfs/dbraw/zinc/12/83/71/560128371.db2.gz NRHMMDQAAWNDNR-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000445140350 560129630 /nfs/dbraw/zinc/12/96/30/560129630.db2.gz SHJTVCAUXUMWGL-KGLIPLIRSA-N 1 0 370.409 2.430 20 5 FEBDRO Cn1nccc1N1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447567903 560164571 /nfs/dbraw/zinc/16/45/71/560164571.db2.gz FVGPAFRHHNGMNY-HRCADAONSA-N 1 0 373.461 2.267 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562572 560164653 /nfs/dbraw/zinc/16/46/53/560164653.db2.gz MIGMFZANJPNZBV-MAUKXSAKSA-N 1 0 360.458 2.149 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000447966341 560174773 /nfs/dbraw/zinc/17/47/73/560174773.db2.gz KMBHEEBPTAJBIS-QAPCUYQASA-N 1 0 362.382 2.493 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449238653 560221304 /nfs/dbraw/zinc/22/13/04/560221304.db2.gz SDTAIQCGHHYADU-LJQANCHMSA-N 1 0 355.394 2.151 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H](C)CCC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000449568351 560233802 /nfs/dbraw/zinc/23/38/02/560233802.db2.gz AZMUBEUCYKSNJB-GFCCVEGCSA-N 1 0 359.430 2.314 20 5 FEBDRO Cn1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449717576 560237984 /nfs/dbraw/zinc/23/79/84/560237984.db2.gz IIVFUWPCWQKAES-GFCCVEGCSA-N 1 0 371.319 2.005 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449871612 560243418 /nfs/dbraw/zinc/24/34/18/560243418.db2.gz TWXCEGVZJNOTTP-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000450467175 560263360 /nfs/dbraw/zinc/26/33/60/560263360.db2.gz CLOCUJIRGHNEMH-ZDUSSCGKSA-N 1 0 374.441 2.433 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451027170 560283052 /nfs/dbraw/zinc/28/30/52/560283052.db2.gz AGWVELLPWDVEDW-LJQANCHMSA-N 1 0 373.409 2.435 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451483939 560309666 /nfs/dbraw/zinc/30/96/66/560309666.db2.gz YVRPRORTBARDDR-JLZZUVOBSA-N 1 0 363.414 2.335 20 5 FEBDRO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548017 560313882 /nfs/dbraw/zinc/31/38/82/560313882.db2.gz LYOSBYOHTZSULR-WMZOPIPTSA-N 1 0 374.485 2.327 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571838 560315428 /nfs/dbraw/zinc/31/54/28/560315428.db2.gz QFSXCHYUAOTZNV-BLLLJJGKSA-N 1 0 351.403 2.289 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000451836865 560331543 /nfs/dbraw/zinc/33/15/43/560331543.db2.gz HCWHOUZCVOCXHK-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc(NC(=O)CNC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000452096540 560351104 /nfs/dbraw/zinc/35/11/04/560351104.db2.gz NZYGVLYDMUZVGR-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112054 560351865 /nfs/dbraw/zinc/35/18/65/560351865.db2.gz DYGSQPGFUAFIFI-HNNXBMFYSA-N 1 0 362.430 2.307 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+](C2CC2)C1 ZINC000452164450 560354196 /nfs/dbraw/zinc/35/41/96/560354196.db2.gz NVGZPUBEGFDBPC-AWEZNQCLSA-N 1 0 369.425 2.337 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453296486 560385485 /nfs/dbraw/zinc/38/54/85/560385485.db2.gz YYONZFJFVJVLOJ-IAQYHMDHSA-N 1 0 355.460 2.235 20 5 FEBDRO COc1cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c([N+](=O)[O-])cc1OCC(F)F ZINC000453592726 560390210 /nfs/dbraw/zinc/39/02/10/560390210.db2.gz TWHWEMSBHPBUCT-INIZCTEOSA-N 1 0 373.356 2.006 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454297318 560438529 /nfs/dbraw/zinc/43/85/29/560438529.db2.gz HFQGWAYPRVGZNP-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454391179 560442672 /nfs/dbraw/zinc/44/26/72/560442672.db2.gz UBAPRULZQYPTJZ-INIZCTEOSA-N 1 0 373.413 2.073 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455103081 560470248 /nfs/dbraw/zinc/47/02/48/560470248.db2.gz QOAHHAKEHHPFHK-INIZCTEOSA-N 1 0 357.414 2.373 20 5 FEBDRO C[C@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000455342098 560478876 /nfs/dbraw/zinc/47/88/76/560478876.db2.gz VNSYGXLSGZTOIT-ZDUSSCGKSA-N 1 0 372.429 2.941 20 5 FEBDRO CNc1nc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000455636826 560490099 /nfs/dbraw/zinc/49/00/99/560490099.db2.gz IIUVZJKDWNPUFA-UHFFFAOYSA-N 1 0 373.413 2.361 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456350744 560516719 /nfs/dbraw/zinc/51/67/19/560516719.db2.gz LZWZGXCCMFNOQV-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456704362 560529807 /nfs/dbraw/zinc/52/98/07/560529807.db2.gz XYGCNIXVKZXVMW-UHFFFAOYSA-N 1 0 351.451 2.301 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000457105484 560549075 /nfs/dbraw/zinc/54/90/75/560549075.db2.gz CMOXRAQIPQONPP-HNNXBMFYSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000457128053 560551445 /nfs/dbraw/zinc/55/14/45/560551445.db2.gz RVXPMQZDOSUVAH-CYBMUJFWSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457132346 560551874 /nfs/dbraw/zinc/55/18/74/560551874.db2.gz URRSBNOGIVNNND-MRXNPFEDSA-N 1 0 372.429 2.039 20 5 FEBDRO COc1cc(C(=O)NCCCC[N@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000457196906 560555459 /nfs/dbraw/zinc/55/54/59/560555459.db2.gz HXVDUNUEOFYHNE-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000457355910 560563636 /nfs/dbraw/zinc/56/36/36/560563636.db2.gz BSWPBUCUTKGHTO-DGCLKSJQSA-N 1 0 353.444 2.175 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000457381261 560564252 /nfs/dbraw/zinc/56/42/52/560564252.db2.gz QMZZPSDPULJUPJ-CQSZACIVSA-N 1 0 360.418 2.233 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707676 560642327 /nfs/dbraw/zinc/64/23/27/560642327.db2.gz QISWHGBDNZJIQW-GFCCVEGCSA-N 1 0 360.418 2.002 20 5 FEBDRO CC(C)(C)C1CC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000459389947 560683954 /nfs/dbraw/zinc/68/39/54/560683954.db2.gz RRICCZYFQNSLKL-UHFFFAOYSA-N 1 0 355.460 2.287 20 5 FEBDRO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000459704881 560703407 /nfs/dbraw/zinc/70/34/07/560703407.db2.gz MKXREACAUPMGBT-DNVCBOLYSA-N 1 0 357.410 2.148 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128866 560735782 /nfs/dbraw/zinc/73/57/82/560735782.db2.gz GYZZNHJZAQJAAF-GJZGRUSLSA-N 1 0 360.414 2.126 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000463741560 560822735 /nfs/dbraw/zinc/82/27/35/560822735.db2.gz LWBHUQIDBXKLOL-HZSPNIEDSA-N 1 0 355.460 2.287 20 5 FEBDRO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819143 560852454 /nfs/dbraw/zinc/85/24/54/560852454.db2.gz AWPXWOJBKRGXRA-QGPMSJSTSA-N 1 0 352.431 2.470 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464858489 560853569 /nfs/dbraw/zinc/85/35/69/560853569.db2.gz WWJBHZTULRILPL-BBRMVZONSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000467043894 560902134 /nfs/dbraw/zinc/90/21/34/560902134.db2.gz HHHNPCGTKYESHG-CYBMUJFWSA-N 1 0 373.500 2.317 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000467162130 560905266 /nfs/dbraw/zinc/90/52/66/560905266.db2.gz XREDUJMNONLDTR-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CCOC(=O)Cn1nc(C)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1C ZINC000468005053 560921017 /nfs/dbraw/zinc/92/10/17/560921017.db2.gz NZDOPINLVQRMPE-UHFFFAOYSA-N 1 0 360.414 2.304 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000468459028 560930485 /nfs/dbraw/zinc/93/04/85/560930485.db2.gz NFGFTCWMBHCRNM-AWEZNQCLSA-N 1 0 351.451 2.035 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000468642875 560934836 /nfs/dbraw/zinc/93/48/36/560934836.db2.gz VANAPOZJKSESQI-GXDHUFHOSA-N 1 0 367.471 2.307 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000468900551 560941876 /nfs/dbraw/zinc/94/18/76/560941876.db2.gz HQDKFMUGHKLWHV-VNQPRFMTSA-N 1 0 369.487 2.366 20 5 FEBDRO CC(C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000470140030 560975198 /nfs/dbraw/zinc/97/51/98/560975198.db2.gz HGJOSTXMAYKFAF-INIZCTEOSA-N 1 0 367.425 2.127 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000472237470 561021649 /nfs/dbraw/zinc/02/16/49/561021649.db2.gz DHEVUEKCSLHQTF-ZBFHGGJFSA-N 1 0 350.419 2.235 20 5 FEBDRO C[NH+](C)Cc1ccc(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000472731520 561034054 /nfs/dbraw/zinc/03/40/54/561034054.db2.gz LNXJNQURWGXTIN-UHFFFAOYSA-N 1 0 360.345 2.373 20 5 FEBDRO CCOC(=O)C1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000473053592 561041309 /nfs/dbraw/zinc/04/13/09/561041309.db2.gz ATBKJISBNGFQSU-UHFFFAOYSA-N 1 0 358.398 2.428 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1ccsc1 ZINC000473173836 561043523 /nfs/dbraw/zinc/04/35/23/561043523.db2.gz VQGAJPPQVJFEJI-AWEZNQCLSA-N 1 0 365.411 2.317 20 5 FEBDRO C[NH+]1CCN(c2cccc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)CC1 ZINC000473328487 561047666 /nfs/dbraw/zinc/04/76/66/561047666.db2.gz ARDNZZXNWRASJL-UHFFFAOYSA-N 1 0 359.361 2.133 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000474344804 561071783 /nfs/dbraw/zinc/07/17/83/561071783.db2.gz LMXAZTSWHOHACI-NSHDSACASA-N 1 0 362.386 2.039 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474370624 561072393 /nfs/dbraw/zinc/07/23/93/561072393.db2.gz LAAANFOSCCYNAR-HUUCEWRRSA-N 1 0 352.387 2.050 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000475563021 561099932 /nfs/dbraw/zinc/09/99/32/561099932.db2.gz BCXXUNJXZVVCBN-CQSZACIVSA-N 1 0 374.397 2.249 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000475579601 561100238 /nfs/dbraw/zinc/10/02/38/561100238.db2.gz WGRLWORLEJKOQF-HNNXBMFYSA-N 1 0 364.446 2.426 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000477021438 561134400 /nfs/dbraw/zinc/13/44/00/561134400.db2.gz AIAANPGTIMVSSS-GOEBONIOSA-N 1 0 371.441 2.453 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]CC1CCCCCC1 ZINC000530773733 562423597 /nfs/dbraw/zinc/42/35/97/562423597.db2.gz VABWMIZUYIEAHN-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000531318084 562441958 /nfs/dbraw/zinc/44/19/58/562441958.db2.gz HDMTXZVVSFVKJJ-QGZVFWFLSA-N 1 0 364.446 2.237 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628728 562452104 /nfs/dbraw/zinc/45/21/04/562452104.db2.gz PVLZJLHKTFNUSY-UHFFFAOYSA-N 1 0 364.352 2.472 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000531768991 562456064 /nfs/dbraw/zinc/45/60/64/562456064.db2.gz COXQJSAGBADKAY-KGLIPLIRSA-N 1 0 361.398 2.346 20 5 FEBDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000533047758 562496721 /nfs/dbraw/zinc/49/67/21/562496721.db2.gz MRBDDPDXMKVMHL-CYBMUJFWSA-N 1 0 357.414 2.284 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000533865470 562520168 /nfs/dbraw/zinc/52/01/68/562520168.db2.gz OBLQZOKKWOLNNM-AWEZNQCLSA-N 1 0 357.414 2.455 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)nn1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535732705 562565918 /nfs/dbraw/zinc/56/59/18/562565918.db2.gz ULNHDMPMNWVOTK-UHFFFAOYSA-N 1 0 364.365 2.375 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000535740744 562566288 /nfs/dbraw/zinc/56/62/88/562566288.db2.gz YBCKUMPMRBMVON-UONOGXRCSA-N 1 0 350.419 2.098 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000535808147 562568538 /nfs/dbraw/zinc/56/85/38/562568538.db2.gz SPYGRIUBKHOVKP-LLVKDONJSA-N 1 0 360.370 2.106 20 5 FEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000537222424 562588058 /nfs/dbraw/zinc/58/80/58/562588058.db2.gz ZSYCDXUQIZXPKQ-AWEZNQCLSA-N 1 0 351.403 2.337 20 5 FEBDRO COc1ccc(CC(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901243 562596120 /nfs/dbraw/zinc/59/61/20/562596120.db2.gz XJZYKCOOWPONSJ-IAGOWNOFSA-N 1 0 369.421 2.360 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)n1 ZINC000541004713 562600219 /nfs/dbraw/zinc/60/02/19/562600219.db2.gz HMSLYTPQRPJRTA-AWEZNQCLSA-N 1 0 351.451 2.111 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000541648013 562617182 /nfs/dbraw/zinc/61/71/82/562617182.db2.gz IGQINYGJQDJZCR-OLZOCXBDSA-N 1 0 351.403 2.337 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000541779891 562619845 /nfs/dbraw/zinc/61/98/45/562619845.db2.gz NTTUAFHBPILQPF-UHFFFAOYSA-N 1 0 355.460 2.055 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000546063831 562633185 /nfs/dbraw/zinc/63/31/85/562633185.db2.gz RDHPSZIMWPGXPX-HNNXBMFYSA-N 1 0 367.471 2.088 20 5 FEBDRO CCOC(=O)c1ccnc(N(CC[NH+](C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000555893807 674380395 /nfs/dbraw/zinc/38/03/95/674380395.db2.gz FINVQIQSWRGLPG-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CCC2(CC[NH2+]2)CC1 ZINC000602507230 567988786 /nfs/dbraw/zinc/98/87/86/567988786.db2.gz DKLBTTWYPMERPS-UHFFFAOYSA-N 1 0 354.204 2.325 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnn4ccccc34)CC2)cn1 ZINC000602661171 568012372 /nfs/dbraw/zinc/01/23/72/568012372.db2.gz KDOKIPYTMCITIT-UHFFFAOYSA-N 1 0 352.398 2.396 20 5 FEBDRO CCOC(=O)c1nn(C)cc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568799714 568223091 /nfs/dbraw/zinc/22/30/91/568223091.db2.gz CXWRTTGJGJIUOX-UHFFFAOYSA-N 1 0 371.397 2.319 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000569039288 568277965 /nfs/dbraw/zinc/27/79/65/568277965.db2.gz WAGUDTWHIAWLOS-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000604552763 568313146 /nfs/dbraw/zinc/31/31/46/568313146.db2.gz URAIPFAJZSOUOY-GFCCVEGCSA-N 1 0 365.430 2.462 20 5 FEBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000569266557 568323189 /nfs/dbraw/zinc/32/31/89/568323189.db2.gz WZNFJNUVYPRRDK-CYBMUJFWSA-N 1 0 371.441 2.402 20 5 FEBDRO CSC1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000569655468 568416060 /nfs/dbraw/zinc/41/60/60/568416060.db2.gz VAUCZWULDKYUQZ-UHFFFAOYSA-N 1 0 351.472 2.471 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000569793373 568425034 /nfs/dbraw/zinc/42/50/34/568425034.db2.gz CYKUUOOSMCKHBF-ZDUSSCGKSA-N 1 0 358.398 2.493 20 5 FEBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927237 568706221 /nfs/dbraw/zinc/70/62/21/568706221.db2.gz VLPTVGWMGLWFSH-YUMQZZPRSA-N 1 0 355.338 2.018 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925097 568717720 /nfs/dbraw/zinc/71/77/20/568717720.db2.gz CGYMMNKNEFJXQV-QEORTHHSSA-N 1 0 367.833 2.397 20 5 FEBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000556875634 674425552 /nfs/dbraw/zinc/42/55/52/674425552.db2.gz AHNJMEDVLMQZCA-AWEZNQCLSA-N 1 0 355.460 2.219 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000807748009 674426281 /nfs/dbraw/zinc/42/62/81/674426281.db2.gz MDXUANHWGZVMPW-ZDUSSCGKSA-N 1 0 350.375 2.416 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557494478 674451024 /nfs/dbraw/zinc/45/10/24/674451024.db2.gz ZKJRJCCHGIFCSE-AAEUAGOBSA-N 1 0 350.419 2.617 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000557347186 674446216 /nfs/dbraw/zinc/44/62/16/674446216.db2.gz FTGPHHIRUXSHDE-HZPDHXFCSA-N 1 0 367.471 2.452 20 5 FEBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1-c1nn[nH]n1 ZINC000821813999 599428977 /nfs/dbraw/zinc/42/89/77/599428977.db2.gz RPMWTWTYXVQLKZ-UHFFFAOYSA-N 1 0 354.370 2.116 20 5 FEBDRO C[C@@H](CC[NH+](C)C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820243072 599500334 /nfs/dbraw/zinc/50/03/34/599500334.db2.gz UYTXBCUOXCRZCH-JTQLQIEISA-N 1 0 356.390 2.075 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027549 674479905 /nfs/dbraw/zinc/47/99/05/674479905.db2.gz YTMZRYZTVUJWSD-COPLHBTASA-N 1 0 350.394 2.118 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640022 607470743 /nfs/dbraw/zinc/47/07/43/607470743.db2.gz PPGIBSFZPPNHER-MLGOLLRUSA-N 1 0 369.429 2.228 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837392 674515235 /nfs/dbraw/zinc/51/52/35/674515235.db2.gz ZFFRCPDLIKNISM-VIFPVBQESA-N 1 0 367.830 2.396 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000887 606224862 /nfs/dbraw/zinc/22/48/62/606224862.db2.gz KXJSUPHBZCBIBA-OCCSQVGLSA-N 1 0 357.418 2.228 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccco1 ZINC000821181277 606702674 /nfs/dbraw/zinc/70/26/74/606702674.db2.gz LDCIKPLJCSXXJP-LBPRGKRZSA-N 1 0 372.389 2.258 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821587397 607114638 /nfs/dbraw/zinc/11/46/38/607114638.db2.gz VNGICQKAQMFHNP-UHFFFAOYSA-N 1 0 373.442 2.405 20 5 FEBDRO C[C@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824669552 609316191 /nfs/dbraw/zinc/31/61/91/609316191.db2.gz DZQFKIQQXZQMGV-RYUDHWBXSA-N 1 0 372.433 2.235 20 5 FEBDRO C[C@@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824669553 609316310 /nfs/dbraw/zinc/31/63/10/609316310.db2.gz DZQFKIQQXZQMGV-VXGBXAGGSA-N 1 0 372.433 2.235 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812336788 674667702 /nfs/dbraw/zinc/66/77/02/674667702.db2.gz ZEQMEOKQBBLWRI-PWSUYJOCSA-N 1 0 355.797 2.340 20 5 FEBDRO CCN(CC[NH+]1CCCCCC1)C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000561777125 674698467 /nfs/dbraw/zinc/69/84/67/674698467.db2.gz UKKOZLOIGQOEHK-UHFFFAOYSA-N 1 0 351.451 2.214 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000561750027 674695746 /nfs/dbraw/zinc/69/57/46/674695746.db2.gz NEFMEYHKOALFHT-LSDHHAIUSA-N 1 0 369.487 2.221 20 5 FEBDRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000562147714 674724523 /nfs/dbraw/zinc/72/45/23/674724523.db2.gz PRJCTWDULTXUSY-UHFFFAOYSA-N 1 0 355.460 2.480 20 5 FEBDRO C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000813615207 674762037 /nfs/dbraw/zinc/76/20/37/674762037.db2.gz OSRBZWNKEAQQQH-SECBINFHSA-N 1 0 369.365 2.498 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000564112177 674974642 /nfs/dbraw/zinc/97/46/42/674974642.db2.gz DWUNMKXOEKNRMB-CABCVRRESA-N 1 0 353.444 2.172 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000043935056 670181921 /nfs/dbraw/zinc/18/19/21/670181921.db2.gz VINMQUQFVWRMIW-UHFFFAOYSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000565303744 675110062 /nfs/dbraw/zinc/11/00/62/675110062.db2.gz QZXXGEJDQIIACT-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO COC1([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000817295973 675119148 /nfs/dbraw/zinc/11/91/48/675119148.db2.gz BITWTQHNBGRCMC-LLVKDONJSA-N 1 0 371.821 2.360 20 5 FEBDRO Cc1c(C(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102640298 670775068 /nfs/dbraw/zinc/77/50/68/670775068.db2.gz VFHGLOAMGYJQDW-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1SC ZINC000570835638 670776175 /nfs/dbraw/zinc/77/61/75/670776175.db2.gz PKUHDJQDNVTHPX-FEUHOPSXSA-N 1 0 353.444 2.442 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000572713435 671035721 /nfs/dbraw/zinc/03/57/21/671035721.db2.gz FQJIJQJCVXMFRO-ZDUSSCGKSA-N 1 0 367.471 2.364 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000573017888 671071800 /nfs/dbraw/zinc/07/18/00/671071800.db2.gz TZBNFWRNLFTZSV-CYBMUJFWSA-N 1 0 363.805 2.258 20 5 FEBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573237902 671098263 /nfs/dbraw/zinc/09/82/63/671098263.db2.gz DNNIGBUGUTXHFR-AWEZNQCLSA-N 1 0 358.320 2.269 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000573639778 671146422 /nfs/dbraw/zinc/14/64/22/671146422.db2.gz XAIKRKBFLDJUSJ-MRXNPFEDSA-N 1 0 353.444 2.031 20 5 FEBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575058657 671295892 /nfs/dbraw/zinc/29/58/92/671295892.db2.gz NSKSZJBFZWSWNV-UHFFFAOYSA-N 1 0 369.365 2.219 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000818010224 675190645 /nfs/dbraw/zinc/19/06/45/675190645.db2.gz JSLUBWUVFLSISA-GDBMZVCRSA-N 1 0 351.378 2.092 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019241 675191215 /nfs/dbraw/zinc/19/12/15/675191215.db2.gz QSWGPGOIDNVREH-AWEZNQCLSA-N 1 0 354.204 2.325 20 5 FEBDRO C[C@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000576216654 671352201 /nfs/dbraw/zinc/35/22/01/671352201.db2.gz ZYPWKFYNNHRKAN-LBPRGKRZSA-N 1 0 362.167 2.468 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000609269721 675916291 /nfs/dbraw/zinc/91/62/91/675916291.db2.gz WDQHVSPFIDGZSN-CYBMUJFWSA-N 1 0 353.444 2.157 20 5 FEBDRO CCc1nc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000577602640 671607342 /nfs/dbraw/zinc/60/73/42/671607342.db2.gz ITCHXAGSVLSVGF-CYBMUJFWSA-N 1 0 351.428 2.186 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609476779 675923191 /nfs/dbraw/zinc/92/31/91/675923191.db2.gz RBZCVALAXXLCLF-JHJVBQTASA-N 1 0 351.451 2.367 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1O ZINC000578636814 671679237 /nfs/dbraw/zinc/67/92/37/671679237.db2.gz GKBAXOHWIBRLNW-ZDUSSCGKSA-N 1 0 352.387 2.127 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000580193499 671789394 /nfs/dbraw/zinc/78/93/94/671789394.db2.gz FNCRQVAUAPEPNT-GFCCVEGCSA-N 1 0 353.806 2.076 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000580890588 671843870 /nfs/dbraw/zinc/84/38/70/671843870.db2.gz NKAGTBDBYGHCKB-XJKSGUPXSA-N 1 0 367.471 2.405 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000610250243 675961010 /nfs/dbraw/zinc/96/10/10/675961010.db2.gz HTHFVVODIDUDEB-HNNXBMFYSA-N 1 0 350.438 2.334 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000582845665 672039571 /nfs/dbraw/zinc/03/95/71/672039571.db2.gz GPSJXANNMPHORU-KGYLQXTDSA-N 1 0 352.822 2.246 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000139407506 672146318 /nfs/dbraw/zinc/14/63/18/672146318.db2.gz QYZADXLLDPZKTO-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[N@@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000584408059 672185326 /nfs/dbraw/zinc/18/53/26/672185326.db2.gz UISKGSOKEIEGMO-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171084638 672329144 /nfs/dbraw/zinc/32/91/44/672329144.db2.gz YRPKIBAYULGLST-ZDUSSCGKSA-N 1 0 373.862 2.497 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175084229 672365355 /nfs/dbraw/zinc/36/53/55/672365355.db2.gz VYYCLOWYLLRZEM-NEPJUHHUSA-N 1 0 361.851 2.399 20 5 FEBDRO C[NH+](C)CC(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000587127629 672441079 /nfs/dbraw/zinc/44/10/79/672441079.db2.gz BDMPZUJULMEKIS-UHFFFAOYSA-N 1 0 361.229 2.112 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)OCCO2 ZINC000589939065 672549382 /nfs/dbraw/zinc/54/93/82/672549382.db2.gz NPVKHZYLZVEJLZ-YGRLFVJLSA-N 1 0 362.304 2.302 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590045722 672555806 /nfs/dbraw/zinc/55/58/06/672555806.db2.gz TYWBXCJSCOJPSQ-BXUZGUMPSA-N 1 0 368.231 2.062 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000590566409 672590434 /nfs/dbraw/zinc/59/04/34/672590434.db2.gz HLBUBQNXUYTNNB-HZMBPMFUSA-N 1 0 370.247 2.451 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000591065953 672646925 /nfs/dbraw/zinc/64/69/25/672646925.db2.gz ZUTTYYFXAAIXBD-INIZCTEOSA-N 1 0 363.483 2.471 20 5 FEBDRO COc1cc(C(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000591680991 672701249 /nfs/dbraw/zinc/70/12/49/672701249.db2.gz YKGBIWPMPSSHBQ-VIFPVBQESA-N 1 0 361.345 2.308 20 5 FEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000591729667 672705677 /nfs/dbraw/zinc/70/56/77/672705677.db2.gz PYMWQWASJWUIOR-RDJZCZTQSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591736060 672706732 /nfs/dbraw/zinc/70/67/32/672706732.db2.gz HQNZUZHSGZJBGT-HUUCEWRRSA-N 1 0 369.487 2.221 20 5 FEBDRO Cc1noc(C)c1[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591757214 672708442 /nfs/dbraw/zinc/70/84/42/672708442.db2.gz XSZZMHQZJPZQPH-LLVKDONJSA-N 1 0 367.427 2.367 20 5 FEBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000591760861 672708884 /nfs/dbraw/zinc/70/88/84/672708884.db2.gz JZONCOJOCHWIIS-CGTJXYLNSA-N 1 0 350.415 2.129 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194335944 672756708 /nfs/dbraw/zinc/75/67/08/672756708.db2.gz BOJPOWFFRISMAI-GFCCVEGCSA-N 1 0 359.423 2.277 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@@H]1SC ZINC000592168118 672766502 /nfs/dbraw/zinc/76/65/02/672766502.db2.gz UJTKCAMIOKNWLV-KFNAQCHYSA-N 1 0 353.444 2.340 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000592300710 672783259 /nfs/dbraw/zinc/78/32/59/672783259.db2.gz XTIXGFTXMPNPBK-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592364748 672792216 /nfs/dbraw/zinc/79/22/16/672792216.db2.gz AKDHYDJBXYNXGT-UHFFFAOYSA-N 1 0 353.444 2.062 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592391129 672796826 /nfs/dbraw/zinc/79/68/26/672796826.db2.gz VMUBCQJCPMELRJ-LSDHHAIUSA-N 1 0 367.471 2.304 20 5 FEBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(C)C ZINC000593563666 672944853 /nfs/dbraw/zinc/94/48/53/672944853.db2.gz QUWJVBFKZFPDJF-AWEZNQCLSA-N 1 0 358.464 2.025 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000593918833 673008316 /nfs/dbraw/zinc/00/83/16/673008316.db2.gz KIVSLXOIUMSABC-VNQPRFMTSA-N 1 0 351.378 2.235 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594451265 673073866 /nfs/dbraw/zinc/07/38/66/673073866.db2.gz HCNFBIDEWILQLE-QUBYGPBYSA-N 1 0 355.700 2.021 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451263 673074081 /nfs/dbraw/zinc/07/40/81/673074081.db2.gz HCNFBIDEWILQLE-LDWIPMOCSA-N 1 0 355.700 2.021 20 5 FEBDRO C[NH+]1CCC(CCO)(NCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000594507493 673094556 /nfs/dbraw/zinc/09/45/56/673094556.db2.gz DTSXHUWWRTYHHH-UHFFFAOYSA-N 1 0 359.373 2.133 20 5 FEBDRO CC(C)Oc1nc(N2CCC(OCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000594555632 673097147 /nfs/dbraw/zinc/09/71/47/673097147.db2.gz BACQTOLRJJUATF-UHFFFAOYSA-N 1 0 352.435 2.324 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594763512 673133760 /nfs/dbraw/zinc/13/37/60/673133760.db2.gz TZUSBSPWXYQUMX-UHFFFAOYSA-N 1 0 370.475 2.026 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594799808 673147288 /nfs/dbraw/zinc/14/72/88/673147288.db2.gz RXCIJFVYWRHWKZ-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000594975092 673181989 /nfs/dbraw/zinc/18/19/89/673181989.db2.gz PGAPWYQDRSULQZ-UHFFFAOYSA-N 1 0 356.444 2.441 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000595059999 673190246 /nfs/dbraw/zinc/19/02/46/673190246.db2.gz JXXKMUXJNGYBQD-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000595101849 673193051 /nfs/dbraw/zinc/19/30/51/673193051.db2.gz HHRFKLJBELRKTE-HNNXBMFYSA-N 1 0 364.427 2.092 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1[N+](=O)[O-] ZINC000595117985 673196601 /nfs/dbraw/zinc/19/66/01/673196601.db2.gz KEOSAMYOGPMPII-IUODEOHRSA-N 1 0 355.460 2.431 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000595121027 673197238 /nfs/dbraw/zinc/19/72/38/673197238.db2.gz TXAHZWPMJREHPJ-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120257 673197279 /nfs/dbraw/zinc/19/72/79/673197279.db2.gz HTPWQNWLOFSNBZ-CYBMUJFWSA-N 1 0 353.444 2.110 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294901 673218052 /nfs/dbraw/zinc/21/80/52/673218052.db2.gz UHYSGJZAAUYCJR-GXTWGEPZSA-N 1 0 353.394 2.097 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c1C ZINC000595344530 673228412 /nfs/dbraw/zinc/22/84/12/673228412.db2.gz GKVBPFPRMCORDJ-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410454 673245758 /nfs/dbraw/zinc/24/57/58/673245758.db2.gz MHGPVFDLXBUIRT-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595779758 673324665 /nfs/dbraw/zinc/32/46/65/673324665.db2.gz HUZZXNOZDDLZQX-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815329 673327509 /nfs/dbraw/zinc/32/75/09/673327509.db2.gz OEQSZMKDAHVZMU-GDBMZVCRSA-N 1 0 350.415 2.368 20 5 FEBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCOCC1 ZINC000595878598 673333973 /nfs/dbraw/zinc/33/39/73/673333973.db2.gz UIVNVGBXAHSICM-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000731757403 673342338 /nfs/dbraw/zinc/34/23/38/673342338.db2.gz YEDZHWQWISLAPU-AWEZNQCLSA-N 1 0 350.419 2.147 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596085184 673357084 /nfs/dbraw/zinc/35/70/84/673357084.db2.gz CKYTXIFJSXPRGX-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000596145995 673362960 /nfs/dbraw/zinc/36/29/60/673362960.db2.gz JLPIZVJGQWXTKR-STQMWFEESA-N 1 0 370.475 2.178 20 5 FEBDRO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@H+](CC)C1 ZINC000596181021 673365687 /nfs/dbraw/zinc/36/56/87/673365687.db2.gz VPWCHHUCUZHZDU-HNNXBMFYSA-N 1 0 350.419 2.229 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+](C)C ZINC000537215949 673384350 /nfs/dbraw/zinc/38/43/50/673384350.db2.gz JJZVBPMCONOFHT-UHFFFAOYSA-N 1 0 355.460 2.357 20 5 FEBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596476331 673388494 /nfs/dbraw/zinc/38/84/94/673388494.db2.gz CRZOAIWDQJQALS-LBPRGKRZSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1c(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000596635796 673399649 /nfs/dbraw/zinc/39/96/49/673399649.db2.gz OIFDEMHNCRLTAF-CQSZACIVSA-N 1 0 350.419 2.478 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000733158963 673401061 /nfs/dbraw/zinc/40/10/61/673401061.db2.gz VGANGHVGCPJOIU-CQSZACIVSA-N 1 0 351.378 2.107 20 5 FEBDRO C[C@@H](Cc1ccsc1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537969539 673415550 /nfs/dbraw/zinc/41/55/50/673415550.db2.gz FHXMKVZROUSHFB-LBPRGKRZSA-N 1 0 369.468 2.155 20 5 FEBDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539073650 673472444 /nfs/dbraw/zinc/47/24/44/673472444.db2.gz VYQJWDUSRUWMTL-KBPBESRZSA-N 1 0 355.460 2.287 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000539523873 673494543 /nfs/dbraw/zinc/49/45/43/673494543.db2.gz HIQFOXGNJNRODF-GOEBONIOSA-N 1 0 367.471 2.176 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000597709991 673501484 /nfs/dbraw/zinc/50/14/84/673501484.db2.gz FXVVAQXLUCEPTE-QGZVFWFLSA-N 1 0 351.378 2.300 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000597926035 673518549 /nfs/dbraw/zinc/51/85/49/673518549.db2.gz ZUJJFJCJSABFHX-GFCCVEGCSA-N 1 0 367.471 2.282 20 5 FEBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1csc([N+](=O)[O-])c1 ZINC000597991785 673527647 /nfs/dbraw/zinc/52/76/47/673527647.db2.gz RDYHDONWSWBMDP-HNNXBMFYSA-N 1 0 361.423 2.153 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668571 673596506 /nfs/dbraw/zinc/59/65/06/673596506.db2.gz ACZVYJDXVOTNAC-NHYWBVRUSA-N 1 0 368.231 2.240 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598722099 673603429 /nfs/dbraw/zinc/60/34/29/673603429.db2.gz ZAVFKESTPWWHKV-IINYFYTJSA-N 1 0 359.835 2.059 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855287 673610625 /nfs/dbraw/zinc/61/06/25/673610625.db2.gz COWWBDOGJUDUAM-JOYOIKCWSA-N 1 0 355.341 2.409 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000598967703 673625694 /nfs/dbraw/zinc/62/56/94/673625694.db2.gz SIHQWQQRDAEPIO-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543176606 673630537 /nfs/dbraw/zinc/63/05/37/673630537.db2.gz HEEJBRWVZSCTCW-ZIAGYGMSSA-N 1 0 355.460 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCOCC3)CC2)cc1OC(F)F ZINC000599105816 673633732 /nfs/dbraw/zinc/63/37/32/673633732.db2.gz QMGWFGOYSRQMEW-UHFFFAOYSA-N 1 0 357.357 2.497 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000599106782 673633739 /nfs/dbraw/zinc/63/37/39/673633739.db2.gz JKFPNDYBHXNGEU-CYBMUJFWSA-N 1 0 359.835 2.120 20 5 FEBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599125866 673635266 /nfs/dbraw/zinc/63/52/66/673635266.db2.gz DUFWYJXLDBAALU-CQSZACIVSA-N 1 0 368.459 2.061 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000599390010 673667959 /nfs/dbraw/zinc/66/79/59/673667959.db2.gz GEHFQVTUMDOHIJ-KRWDZBQOSA-N 1 0 367.471 2.421 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599391614 673668380 /nfs/dbraw/zinc/66/83/80/673668380.db2.gz OGKOZOBALHEJLN-AWEZNQCLSA-N 1 0 353.444 2.280 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000599412447 673672029 /nfs/dbraw/zinc/67/20/29/673672029.db2.gz ITBPWMZDUWJVIG-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000599416930 673672866 /nfs/dbraw/zinc/67/28/66/673672866.db2.gz YQZRLELZIMEIFK-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000599673960 673704981 /nfs/dbraw/zinc/70/49/81/673704981.db2.gz WYXGIDHSLVMOGZ-LBPRGKRZSA-N 1 0 353.419 2.413 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000544381521 673708968 /nfs/dbraw/zinc/70/89/68/673708968.db2.gz ALCNXDZSCPHWTA-XJKCOSOUSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000544381520 673708976 /nfs/dbraw/zinc/70/89/76/673708976.db2.gz ALCNXDZSCPHWTA-WWGRRREGSA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000544659435 673724050 /nfs/dbraw/zinc/72/40/50/673724050.db2.gz QOQJNXAAOZITGO-KGLIPLIRSA-N 1 0 355.460 2.363 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000600212847 673749628 /nfs/dbraw/zinc/74/96/28/673749628.db2.gz IJKMZFWDZWXOEQ-IDJPSDCMSA-N 1 0 367.471 2.259 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601271947 673836950 /nfs/dbraw/zinc/83/69/50/673836950.db2.gz ZTNMBGRDAAULIN-ZDUSSCGKSA-N 1 0 353.394 2.307 20 5 FEBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601335903 673844267 /nfs/dbraw/zinc/84/42/67/673844267.db2.gz ZUMGCNXKQZKRDU-BXUZGUMPSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601352443 673846917 /nfs/dbraw/zinc/84/69/17/673846917.db2.gz VBCOBCUWVCVJLZ-SMDDNHRTSA-N 1 0 373.862 2.319 20 5 FEBDRO CC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000601439115 673862433 /nfs/dbraw/zinc/86/24/33/673862433.db2.gz BZBKSAHTJQYMSO-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461294 673866310 /nfs/dbraw/zinc/86/63/10/673866310.db2.gz AKCDANKGMQCPFU-NSHDSACASA-N 1 0 361.489 2.363 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000601502323 673871863 /nfs/dbraw/zinc/87/18/63/673871863.db2.gz NMDVCOWVQSDJNF-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000746670432 673889316 /nfs/dbraw/zinc/88/93/16/673889316.db2.gz GXBFJOWCVTXZCT-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602583097 673908220 /nfs/dbraw/zinc/90/82/20/673908220.db2.gz PQLOKPORDIMQKY-CYBMUJFWSA-N 1 0 367.833 2.479 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3nnc(C4CC4)s3)CC2)cn1 ZINC000602693971 673909595 /nfs/dbraw/zinc/90/95/95/673909595.db2.gz PEMWKOUCJRKNMR-UHFFFAOYSA-N 1 0 360.443 2.477 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987770 673914830 /nfs/dbraw/zinc/91/48/30/673914830.db2.gz QQJYBZSWVQYLND-OUJBWJOFSA-N 1 0 361.320 2.024 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1F ZINC000818429265 675218709 /nfs/dbraw/zinc/21/87/09/675218709.db2.gz ABBRUWZREILEGM-GFCCVEGCSA-N 1 0 371.434 2.195 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000566524130 675221343 /nfs/dbraw/zinc/22/13/43/675221343.db2.gz QIYBDXKFVVBPQD-UHFFFAOYSA-N 1 0 350.467 2.090 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cccnc2OCC(F)F)cc1 ZINC000819196009 675268575 /nfs/dbraw/zinc/26/85/75/675268575.db2.gz BAPGBLGWZAFYFJ-AWEZNQCLSA-N 1 0 353.325 2.457 20 5 FEBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000567150630 675271064 /nfs/dbraw/zinc/27/10/64/675271064.db2.gz JZTABWLVDZNZRW-RKDXNWHRSA-N 1 0 364.183 2.448 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)n1 ZINC000567671955 675311286 /nfs/dbraw/zinc/31/12/86/675311286.db2.gz XHCDGZUSDYDCNV-CYBMUJFWSA-N 1 0 363.805 2.251 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000567853106 675329660 /nfs/dbraw/zinc/32/96/60/675329660.db2.gz OMNITNYUCAXTBK-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000567890076 675333042 /nfs/dbraw/zinc/33/30/42/675333042.db2.gz HYRROPRBFIBIES-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821512341 675438876 /nfs/dbraw/zinc/43/88/76/675438876.db2.gz AKOCOZNKWQAAME-UHFFFAOYSA-N 1 0 357.842 2.253 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000824086142 675583304 /nfs/dbraw/zinc/58/33/04/675583304.db2.gz SXRKOKQOWJXQGK-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000825769640 675668135 /nfs/dbraw/zinc/66/81/35/675668135.db2.gz AKNMFNMPUFDBAC-GFCCVEGCSA-N 1 0 350.394 2.014 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000826733209 675702440 /nfs/dbraw/zinc/70/24/40/675702440.db2.gz FRHYHYMNBJEWIW-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000829563249 675883417 /nfs/dbraw/zinc/88/34/17/675883417.db2.gz BGSABIWNESBHPE-DTWKUNHWSA-N 1 0 356.785 2.278 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000619473278 676378903 /nfs/dbraw/zinc/37/89/03/676378903.db2.gz XIXIJKWKQCUEKN-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1cncn1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000619569960 676385448 /nfs/dbraw/zinc/38/54/48/676385448.db2.gz XKQFRZRGXZWPJD-UHFFFAOYSA-N 1 0 364.427 2.345 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000760555293 680692561 /nfs/dbraw/zinc/69/25/61/680692561.db2.gz SCXHMDIMESHUMC-LBPRGKRZSA-N 1 0 357.357 2.355 20 5 FEBDRO O=C(CC[N@H+]1CCCC[C@@H]1C1(O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839145169 680741467 /nfs/dbraw/zinc/74/14/67/680741467.db2.gz ZKVNKNZQUSHDGZ-OAHLLOKOSA-N 1 0 351.378 2.442 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839555285 680761324 /nfs/dbraw/zinc/76/13/24/680761324.db2.gz JPFSUHRDNVHXIQ-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C1 ZINC000839565137 680762212 /nfs/dbraw/zinc/76/22/12/680762212.db2.gz YVGQNYWMWHBQOB-NWDGAFQWSA-N 1 0 372.263 2.244 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839581961 680763690 /nfs/dbraw/zinc/76/36/90/680763690.db2.gz WABGJOAAINTCCH-MNOVXSKESA-N 1 0 356.220 2.362 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)ccc1Br ZINC000839651747 680769110 /nfs/dbraw/zinc/76/91/10/680769110.db2.gz QRFPGUOMUXFFKR-AAEUAGOBSA-N 1 0 359.220 2.234 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC12CCOCC2 ZINC000841010181 680859351 /nfs/dbraw/zinc/85/93/51/680859351.db2.gz CBKYCBFXOGOYOW-NSHDSACASA-N 1 0 368.821 2.467 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000747960342 679916267 /nfs/dbraw/zinc/91/62/67/679916267.db2.gz ZLXRISGXCZLFNL-ZDUSSCGKSA-N 1 0 353.423 2.028 20 5 FEBDRO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sc1C(C)(C)C ZINC001022063475 680193115 /nfs/dbraw/zinc/19/31/15/680193115.db2.gz BWUXQMMXNPXHHS-YVECIDJPSA-N 1 0 366.487 2.151 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983654381 680318400 /nfs/dbraw/zinc/31/84/00/680318400.db2.gz MYWOWJCOOURPGJ-NMFUWQPSSA-N 1 0 353.369 2.274 20 5 FEBDRO C[N@@H+](Cc1ccnc(Cl)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964482 680394193 /nfs/dbraw/zinc/39/41/93/680394193.db2.gz LEBSBVKNTLYZMF-HUUCEWRRSA-N 1 0 366.849 2.071 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000755072426 680397120 /nfs/dbraw/zinc/39/71/20/680397120.db2.gz OJSSOGOEVLVSMJ-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644980 680436511 /nfs/dbraw/zinc/43/65/11/680436511.db2.gz OUXLSUOBOQBANR-ZNEHSRBWSA-N 1 0 367.833 2.228 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000836854831 680522899 /nfs/dbraw/zinc/52/28/99/680522899.db2.gz DNEKZEODUCYXDI-UHFFFAOYSA-N 1 0 351.403 2.023 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000759109471 680627399 /nfs/dbraw/zinc/62/73/99/680627399.db2.gz XMKQQIZVUWQYGA-DGCLKSJQSA-N 1 0 373.450 2.441 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000841160290 680866609 /nfs/dbraw/zinc/86/66/09/680866609.db2.gz BTHVQOYQUMIKNQ-QMMMGPOBSA-N 1 0 367.150 2.461 20 5 FEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841192329 680868443 /nfs/dbraw/zinc/86/84/43/680868443.db2.gz DNJBWGSPBYESSH-GFCCVEGCSA-N 1 0 356.810 2.019 20 5 FEBDRO O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000842475629 680949322 /nfs/dbraw/zinc/94/93/22/680949322.db2.gz WKHBFIAJYANQQL-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712161 680955825 /nfs/dbraw/zinc/95/58/25/680955825.db2.gz KDUZPUXGWUFQLD-ZDUSSCGKSA-N 1 0 366.849 2.147 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768722613 680956147 /nfs/dbraw/zinc/95/61/47/680956147.db2.gz ZCSATCBQHOJCSQ-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000843356076 680999451 /nfs/dbraw/zinc/99/94/51/680999451.db2.gz CYRCPRKHMAFTTJ-UHFFFAOYSA-N 1 0 373.812 2.286 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]C[C@](C)(F)C1 ZINC000843388404 681000822 /nfs/dbraw/zinc/00/08/22/681000822.db2.gz YAWWRCKUDGUGRQ-BMIGLBTASA-N 1 0 358.801 2.209 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843786274 681018083 /nfs/dbraw/zinc/01/80/83/681018083.db2.gz UKPROBWLDSWEFK-UHFFFAOYSA-N 1 0 353.394 2.273 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000912595423 685403191 /nfs/dbraw/zinc/40/31/91/685403191.db2.gz DDNNIXVYKCUGSG-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO COc1cc(OCC(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736636 681149624 /nfs/dbraw/zinc/14/96/24/681149624.db2.gz WRZCRCZGFZPOTB-GFCCVEGCSA-N 1 0 352.387 2.398 20 5 FEBDRO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cs1 ZINC000946589366 681244709 /nfs/dbraw/zinc/24/47/09/681244709.db2.gz VQWKBPUIVNZDLY-YYIAUSFCSA-N 1 0 363.483 2.392 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484427 681395744 /nfs/dbraw/zinc/39/57/44/681395744.db2.gz HVLZMFQWVAZLIF-PSOPSSQASA-N 1 0 371.821 2.359 20 5 FEBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591693 681412405 /nfs/dbraw/zinc/41/24/05/681412405.db2.gz FVHIDECTWPLNKJ-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NOC/C=C/Cl)c2)CC1 ZINC000934041289 681499563 /nfs/dbraw/zinc/49/95/63/681499563.db2.gz XXZMIHFBHZHMKR-GORDUTHDSA-N 1 0 369.809 2.152 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581462 681582744 /nfs/dbraw/zinc/58/27/44/681582744.db2.gz NMQJGVITKDCVQT-LBPRGKRZSA-N 1 0 357.357 2.367 20 5 FEBDRO [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cccc(OC(F)(F)F)c1 ZINC000849083089 681651036 /nfs/dbraw/zinc/65/10/36/681651036.db2.gz STUPFXWRCZHAFL-UHFFFAOYSA-N 1 0 358.280 2.326 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916663373 685526709 /nfs/dbraw/zinc/52/67/09/685526709.db2.gz CLHAROMORLKDFT-NEPJUHHUSA-N 1 0 373.862 2.129 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000917654450 685533515 /nfs/dbraw/zinc/53/35/15/685533515.db2.gz HBSQUDUNXVAQJH-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000918465492 685539340 /nfs/dbraw/zinc/53/93/40/685539340.db2.gz OMXXMDSICIQNAN-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)nn1 ZINC000853015816 682364321 /nfs/dbraw/zinc/36/43/21/682364321.db2.gz GCCJFDUFJGUGFD-SNVBAGLBSA-N 1 0 354.773 2.279 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC2SCCS2)cc1 ZINC000853121517 682378728 /nfs/dbraw/zinc/37/87/28/682378728.db2.gz DIICPTKMHHDMBN-UHFFFAOYSA-N 1 0 362.498 2.154 20 5 FEBDRO O=[N+]([O-])c1cn(CN2CCS[C@@H]3COCC[C@@H]32)nc1-c1ccccn1 ZINC000853503994 682424675 /nfs/dbraw/zinc/42/46/75/682424675.db2.gz XGAOJCWYOWEOTK-DZGCQCFKSA-N 1 0 361.427 2.017 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639585 682573950 /nfs/dbraw/zinc/57/39/50/682573950.db2.gz COMLDTARUGXDSK-HUUCEWRRSA-N 1 0 353.806 2.183 20 5 FEBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000854740006 682588050 /nfs/dbraw/zinc/58/80/50/682588050.db2.gz ZGMACXLVQYFPHP-KRWDZBQOSA-N 1 0 351.378 2.057 20 5 FEBDRO Cc1cc(F)cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000855346093 682659650 /nfs/dbraw/zinc/65/96/50/682659650.db2.gz ODKLBQODWQZLPP-ZDUSSCGKSA-N 1 0 354.426 2.044 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790537929 682684300 /nfs/dbraw/zinc/68/43/00/682684300.db2.gz CUOPMQGEHPSZAE-UHFFFAOYSA-N 1 0 361.801 2.014 20 5 FEBDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000855638304 682696441 /nfs/dbraw/zinc/69/64/41/682696441.db2.gz AVICOAZMALZTTG-UHFFFAOYSA-N 1 0 360.183 2.130 20 5 FEBDRO C[NH2+]C1(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000856762145 682807543 /nfs/dbraw/zinc/80/75/43/682807543.db2.gz NYVIZWGUNDGPHP-UHFFFAOYSA-N 1 0 367.349 2.442 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000857339463 682880478 /nfs/dbraw/zinc/88/04/78/682880478.db2.gz DXQJLTSASIMMID-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000857339464 682880486 /nfs/dbraw/zinc/88/04/86/682880486.db2.gz DXQJLTSASIMMID-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000919653745 683289942 /nfs/dbraw/zinc/28/99/42/683289942.db2.gz BIOQHDYTJHJIJS-CYBMUJFWSA-N 1 0 350.419 2.277 20 5 FEBDRO CC(C)[C@H](C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](C)C ZINC000798856421 683398672 /nfs/dbraw/zinc/39/86/72/683398672.db2.gz BYZQBEOMSLHKAI-XJKSGUPXSA-N 1 0 353.394 2.442 20 5 FEBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713519 683459857 /nfs/dbraw/zinc/45/98/57/683459857.db2.gz DBFXWKFYAVMWHH-MNOVXSKESA-N 1 0 374.224 2.183 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861986998 683510430 /nfs/dbraw/zinc/51/04/30/683510430.db2.gz SEWIRJPKTXRGQI-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921681313 683542110 /nfs/dbraw/zinc/54/21/10/683542110.db2.gz UTXZORLSZAMKMJ-HZPDHXFCSA-N 1 0 364.471 2.016 20 5 FEBDRO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000930768800 683781898 /nfs/dbraw/zinc/78/18/98/683781898.db2.gz JYZPQANCYJFJIX-GXTWGEPZSA-N 1 0 366.443 2.305 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000864939821 683911642 /nfs/dbraw/zinc/91/16/42/683911642.db2.gz HDABQYTZGVTTJY-CQSZACIVSA-N 1 0 370.247 2.356 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000864961752 683914770 /nfs/dbraw/zinc/91/47/70/683914770.db2.gz DVSPHNRJIQIWIC-GFCCVEGCSA-N 1 0 370.247 2.358 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000866295431 684089936 /nfs/dbraw/zinc/08/99/36/684089936.db2.gz BSODXSUVSPEUNB-CABZTGNLSA-N 1 0 363.311 2.418 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000866326869 684092260 /nfs/dbraw/zinc/09/22/60/684092260.db2.gz NMWWULSIEROXHE-WFASDCNBSA-N 1 0 354.378 2.177 20 5 FEBDRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717812 684139058 /nfs/dbraw/zinc/13/90/58/684139058.db2.gz PTVQRINVRSSAMR-LRDDRELGSA-N 1 0 350.394 2.136 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866832101 684163302 /nfs/dbraw/zinc/16/33/02/684163302.db2.gz YLXPJCJECFCUQY-STQMWFEESA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1F ZINC000867268358 684235548 /nfs/dbraw/zinc/23/55/48/684235548.db2.gz RJTCWBVUFUUSEC-OCCSQVGLSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923445144 684281950 /nfs/dbraw/zinc/28/19/50/684281950.db2.gz UECMAJDZEAHPGM-JHJVBQTASA-N 1 0 350.419 2.003 20 5 FEBDRO O=C(CCN1CC[C@]2(C1)CCCC[NH2+]2)Nc1cc([N+](=O)[O-])ccc1F ZINC000923533352 684300498 /nfs/dbraw/zinc/30/04/98/684300498.db2.gz KNWUOSKHSLHJCQ-KRWDZBQOSA-N 1 0 350.394 2.281 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000931692282 684331157 /nfs/dbraw/zinc/33/11/57/684331157.db2.gz JTKOQAWESRNYMD-SNVBAGLBSA-N 1 0 371.235 2.106 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923731135 684341359 /nfs/dbraw/zinc/34/13/59/684341359.db2.gz KLUKZDRGAITJAS-AWEZNQCLSA-N 1 0 359.835 2.155 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923736020 684342470 /nfs/dbraw/zinc/34/24/70/684342470.db2.gz OIEAHOUAQGCBRK-HNNXBMFYSA-N 1 0 373.862 2.463 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815192 684397919 /nfs/dbraw/zinc/39/79/19/684397919.db2.gz YVCNHQJSXBJMTH-RISCZKNCSA-N 1 0 373.862 2.271 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925147021 684529297 /nfs/dbraw/zinc/52/92/97/684529297.db2.gz ZAMNLEQALXBOIP-ZBFHGGJFSA-N 1 0 364.471 2.316 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925147015 684529380 /nfs/dbraw/zinc/52/93/80/684529380.db2.gz ZAMNLEQALXBOIP-GDBMZVCRSA-N 1 0 364.471 2.316 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000869766999 684653052 /nfs/dbraw/zinc/65/30/52/684653052.db2.gz FQAJDKDCBCSIGG-UHFFFAOYSA-N 1 0 353.394 2.164 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000870257900 684697711 /nfs/dbraw/zinc/69/77/11/684697711.db2.gz GBLGSKGMJNOTEB-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO CNC(=O)CN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872020101 684915721 /nfs/dbraw/zinc/91/57/21/684915721.db2.gz CVFQRMHKCSYXDW-GFCCVEGCSA-N 1 0 366.487 2.178 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000872028959 684916163 /nfs/dbraw/zinc/91/61/63/684916163.db2.gz ODTIISUIEQLAIS-NEPJUHHUSA-N 1 0 373.500 2.391 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000873153477 685083721 /nfs/dbraw/zinc/08/37/21/685083721.db2.gz UULPRLSRKMSUKQ-CYBMUJFWSA-N 1 0 352.387 2.051 20 5 FEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000877331868 686355682 /nfs/dbraw/zinc/35/56/82/686355682.db2.gz RSIDZYFKRWMABR-NSHDSACASA-N 1 0 353.806 2.137 20 5 FEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000877335289 686356588 /nfs/dbraw/zinc/35/65/88/686356588.db2.gz AXBCCRZXFQZDNS-LBPRGKRZSA-N 1 0 353.806 2.137 20 5 FEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000877335935 686356820 /nfs/dbraw/zinc/35/68/20/686356820.db2.gz GCYCPTBRSYOAML-GFCCVEGCSA-N 1 0 353.806 2.137 20 5 FEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000877337231 686357037 /nfs/dbraw/zinc/35/70/37/686357037.db2.gz SDEMNJLTBDDNJM-LLVKDONJSA-N 1 0 353.806 2.137 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395345 686371702 /nfs/dbraw/zinc/37/17/02/686371702.db2.gz XRHGQEJLVRAUTC-ZFWWWQNUSA-N 1 0 368.231 2.301 20 5 FEBDRO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481810 686387757 /nfs/dbraw/zinc/38/77/57/686387757.db2.gz SXRAFDXKZMTDTP-CVEARBPZSA-N 1 0 352.431 2.057 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCn3cc(Br)cn3)C2)c1 ZINC000877535078 686404585 /nfs/dbraw/zinc/40/45/85/686404585.db2.gz TTYBQWXJSSSYAQ-UHFFFAOYSA-N 1 0 369.223 2.134 20 5 FEBDRO COC(=O)N(C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877633627 686426852 /nfs/dbraw/zinc/42/68/52/686426852.db2.gz OFWAPLPXFJZNFD-UHFFFAOYSA-N 1 0 352.210 2.207 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1F ZINC000878871659 686679616 /nfs/dbraw/zinc/67/96/16/686679616.db2.gz RURAVLDEZTZHKW-HNNXBMFYSA-N 1 0 369.462 2.374 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320620 686794554 /nfs/dbraw/zinc/79/45/54/686794554.db2.gz HXYRZBHBXVYTDA-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000879709156 686892694 /nfs/dbraw/zinc/89/26/94/686892694.db2.gz TYCBOKNCNUBCDW-UHFFFAOYSA-N 1 0 351.403 2.051 20 5 FEBDRO CC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000882963021 687534963 /nfs/dbraw/zinc/53/49/63/687534963.db2.gz KYYBFHFBMKYINN-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287798 687599362 /nfs/dbraw/zinc/59/93/62/687599362.db2.gz GTHVGFCNASOVIH-CYBMUJFWSA-N 1 0 358.236 2.168 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC000883478891 687643627 /nfs/dbraw/zinc/64/36/27/687643627.db2.gz DMBJFSNJYAFHGT-UHFFFAOYSA-N 1 0 353.444 2.064 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000885455925 688077228 /nfs/dbraw/zinc/07/72/28/688077228.db2.gz TVTMWPQFQRXCTN-NEPJUHHUSA-N 1 0 373.862 2.496 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000885870167 688174060 /nfs/dbraw/zinc/17/40/60/688174060.db2.gz YQKPOFMJRRRMHR-AWEZNQCLSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885889114 688179125 /nfs/dbraw/zinc/17/91/25/688179125.db2.gz XHYFOBRCDCYSLZ-CYBMUJFWSA-N 1 0 351.378 2.025 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000886899808 688336569 /nfs/dbraw/zinc/33/65/69/688336569.db2.gz VOSRWGAWFAPAQL-QGZVFWFLSA-N 1 0 367.471 2.366 20 5 FEBDRO CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889716387 688810564 /nfs/dbraw/zinc/81/05/64/688810564.db2.gz QZJGWMONMSYYFF-UHFFFAOYSA-N 1 0 371.235 2.060 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCC[N@@H+](CCO)CC1 ZINC000892338113 689182835 /nfs/dbraw/zinc/18/28/35/689182835.db2.gz OAQVRVFAMRYDJO-UHFFFAOYSA-N 1 0 350.806 2.301 20 5 FEBDRO C[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246454 689683404 /nfs/dbraw/zinc/68/34/04/689683404.db2.gz BTCJVGMKIWQYAF-ZWNOBZJWSA-N 1 0 357.252 2.404 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1Br ZINC000895749596 689765083 /nfs/dbraw/zinc/76/50/83/689765083.db2.gz UBDUNMNWCCCOPY-IUCAKERBSA-N 1 0 365.249 2.438 20 5 FEBDRO CCO[C@@H](CNCc1cc(Br)c([N+](=O)[O-])s1)C[NH+](C)C ZINC000896876372 689942646 /nfs/dbraw/zinc/94/26/46/689942646.db2.gz DUNYSQWQTKELLD-VIFPVBQESA-N 1 0 366.281 2.475 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897220084 689990232 /nfs/dbraw/zinc/99/02/32/689990232.db2.gz SCUZHTNCSMRRFN-STQMWFEESA-N 1 0 370.247 2.393 20 5 FEBDRO COC(=O)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CC1CCCC1 ZINC000898347419 690162344 /nfs/dbraw/zinc/16/23/44/690162344.db2.gz PBIRDUFJSBKTDS-NFOMZHRRSA-N 1 0 350.419 2.454 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)cc([N+](=O)[O-])c1 ZINC000903140996 690850453 /nfs/dbraw/zinc/85/04/53/690850453.db2.gz JNRHBJQJPAKMKI-MLGOLLRUSA-N 1 0 352.387 2.176 20 5 FEBDRO C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000905428808 691117346 /nfs/dbraw/zinc/11/73/46/691117346.db2.gz WPQQMAOQUQXHCU-UKRRQHHQSA-N 1 0 373.247 2.359 20 5 FEBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906620218 691293053 /nfs/dbraw/zinc/29/30/53/691293053.db2.gz YXDSJZFPFZFAAC-CYBMUJFWSA-N 1 0 355.822 2.018 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907856994 691571758 /nfs/dbraw/zinc/57/17/58/691571758.db2.gz GKHGRDHCEQNVBO-UHFFFAOYSA-N 1 0 373.862 2.415 20 5 FEBDRO COc1ncnc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164629830 719077498 /nfs/dbraw/zinc/07/74/98/719077498.db2.gz ZIXFUJAZFBACGG-HOTGVXAUSA-N 1 0 369.425 2.494 20 5 FEBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000485411767 719483017 /nfs/dbraw/zinc/48/30/17/719483017.db2.gz LOSGJIKHLAIZER-HZPDHXFCSA-N 1 0 358.373 2.315 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811019 720073841 /nfs/dbraw/zinc/07/38/41/720073841.db2.gz NAMFEHMGNKLUSM-QFBILLFUSA-N 1 0 360.458 2.483 20 5 FEBDRO O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000031708636 539916103 /nfs/dbraw/zinc/91/61/03/539916103.db2.gz CVOYHSZEAYFXST-UHFFFAOYSA-N 1 0 353.806 2.370 20 5 FEBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000052134627 540455715 /nfs/dbraw/zinc/45/57/15/540455715.db2.gz KKOGWRQZBNBNHJ-OAHLLOKOSA-N 1 0 355.460 2.197 20 5 FEBDRO Cc1c(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000052134628 540455991 /nfs/dbraw/zinc/45/59/91/540455991.db2.gz KKOGWRQZBNBNHJ-HNNXBMFYSA-N 1 0 355.460 2.197 20 5 FEBDRO CC(=O)NCC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052849037 540493374 /nfs/dbraw/zinc/49/33/74/540493374.db2.gz KZNCWPNKYQUSRX-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862431 540495051 /nfs/dbraw/zinc/49/50/51/540495051.db2.gz HIEVGHHEEPJQRV-CYBMUJFWSA-N 1 0 359.386 2.494 20 5 FEBDRO CCOC(=O)N[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052870050 540496121 /nfs/dbraw/zinc/49/61/21/540496121.db2.gz NFNIEOLVFQORBG-CYBMUJFWSA-N 1 0 364.402 2.134 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000053275155 540523370 /nfs/dbraw/zinc/52/33/70/540523370.db2.gz ZAWGWYHEYRIVRM-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000053144518 540513415 /nfs/dbraw/zinc/51/34/15/540513415.db2.gz UBVYHNOSXYJULV-OAHLLOKOSA-N 1 0 371.441 2.340 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000055281233 540642750 /nfs/dbraw/zinc/64/27/50/540642750.db2.gz QFGZOAQOURMSKT-ZDUSSCGKSA-N 1 0 355.460 2.304 20 5 FEBDRO COc1ccc(C[NH2+]CC(=O)N(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030386 541124676 /nfs/dbraw/zinc/12/46/76/541124676.db2.gz QQEYPGWCHFMFBP-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO COCCC[N@H+](CCOC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063550007 541173398 /nfs/dbraw/zinc/17/33/98/541173398.db2.gz ACVRUVODLDYCKV-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065945413 541273896 /nfs/dbraw/zinc/27/38/96/541273896.db2.gz SEUVCGHSSYOSEY-ZDUSSCGKSA-N 1 0 372.491 2.377 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccsc1 ZINC000065866882 541268159 /nfs/dbraw/zinc/26/81/59/541268159.db2.gz LSEVNKVQNINMOS-AWEZNQCLSA-N 1 0 365.459 2.361 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065901462 541269896 /nfs/dbraw/zinc/26/98/96/541269896.db2.gz VTHIAMPAOMPXFE-QGZVFWFLSA-N 1 0 371.441 2.128 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067149264 541425347 /nfs/dbraw/zinc/42/53/47/541425347.db2.gz RVSUYLQJORKULL-CQSZACIVSA-N 1 0 372.429 2.026 20 5 FEBDRO CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC(C)(C)[NH2+]1 ZINC000067148702 541425440 /nfs/dbraw/zinc/42/54/40/541425440.db2.gz SXOVKLUKSXUYBY-UHFFFAOYSA-N 1 0 363.414 2.405 20 5 FEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000068386156 541585848 /nfs/dbraw/zinc/58/58/48/541585848.db2.gz RTFSPKPMORYLJK-AWEZNQCLSA-N 1 0 359.430 2.427 20 5 FEBDRO C[NH+](C)CCOc1ccccc1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000068519519 541602987 /nfs/dbraw/zinc/60/29/87/541602987.db2.gz KJZRLUURUDYBDU-UHFFFAOYSA-N 1 0 373.409 2.344 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069470115 541688072 /nfs/dbraw/zinc/68/80/72/541688072.db2.gz JWWLCQITERRVPY-UHFFFAOYSA-N 1 0 364.446 2.489 20 5 FEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000071027800 541759401 /nfs/dbraw/zinc/75/94/01/541759401.db2.gz IZLPUSVNGALYNE-UHFFFAOYSA-N 1 0 367.321 2.199 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000073246470 541934060 /nfs/dbraw/zinc/93/40/60/541934060.db2.gz JWMDWFRVSMIERR-UHFFFAOYSA-N 1 0 363.458 2.487 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000074113873 542039252 /nfs/dbraw/zinc/03/92/52/542039252.db2.gz HCRDAZIXQOPBCG-UHFFFAOYSA-N 1 0 353.382 2.463 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447272 542084980 /nfs/dbraw/zinc/08/49/80/542084980.db2.gz GTRHTPBJJHAGHT-HNNXBMFYSA-N 1 0 357.414 2.363 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000074773006 542120401 /nfs/dbraw/zinc/12/04/01/542120401.db2.gz CTFPWXFXTPDYCR-UHFFFAOYSA-N 1 0 372.491 2.424 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630615 542193275 /nfs/dbraw/zinc/19/32/75/542193275.db2.gz URBFCGGJTXAITK-QGZVFWFLSA-N 1 0 371.441 2.443 20 5 FEBDRO C[C@@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000075749171 542202705 /nfs/dbraw/zinc/20/27/05/542202705.db2.gz AIUQNMWDVLXJOP-JQFCIGGWSA-N 1 0 362.455 2.331 20 5 FEBDRO COc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000043008333 208297065 /nfs/dbraw/zinc/29/70/65/208297065.db2.gz KMOJGBISTQXVPE-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077704332 542409833 /nfs/dbraw/zinc/40/98/33/542409833.db2.gz AQVVAUWFCGNZJT-UHFFFAOYSA-N 1 0 359.423 2.227 20 5 FEBDRO Cc1c(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000085548321 542729117 /nfs/dbraw/zinc/72/91/17/542729117.db2.gz XJFGEWUUJKRESU-HUUCEWRRSA-N 1 0 362.430 2.356 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134116 674162760 /nfs/dbraw/zinc/16/27/60/674162760.db2.gz FBYZVMIXLYRQJO-TZMCWYRMSA-N 1 0 354.378 2.490 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000089961117 542777401 /nfs/dbraw/zinc/77/74/01/542777401.db2.gz GFJJULFYIWMREW-IRXDYDNUSA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961496 542777559 /nfs/dbraw/zinc/77/75/59/542777559.db2.gz VJPVWEGVYVCSKC-QZTJIDSGSA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1 ZINC000089961118 542777975 /nfs/dbraw/zinc/77/79/75/542777975.db2.gz GFJJULFYIWMREW-SJORKVTESA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000093001795 542900956 /nfs/dbraw/zinc/90/09/56/542900956.db2.gz XWRPOOSDSNEPBJ-VXGBXAGGSA-N 1 0 359.423 2.146 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997031 543001891 /nfs/dbraw/zinc/00/18/91/543001891.db2.gz UAXKATCGCSEHJC-LBPRGKRZSA-N 1 0 359.423 2.277 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997030 543001907 /nfs/dbraw/zinc/00/19/07/543001907.db2.gz UAXKATCGCSEHJC-GFCCVEGCSA-N 1 0 359.423 2.277 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccs1 ZINC000102322790 543064590 /nfs/dbraw/zinc/06/45/90/543064590.db2.gz BVRMJSURRXHPTI-GFCCVEGCSA-N 1 0 351.432 2.007 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748828 543141814 /nfs/dbraw/zinc/14/18/14/543141814.db2.gz IEPXHPQBFBYGIB-LLVKDONJSA-N 1 0 361.851 2.129 20 5 FEBDRO Cc1sc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000107282795 543264802 /nfs/dbraw/zinc/26/48/02/543264802.db2.gz RLZYRKBUPQUPCE-AWEZNQCLSA-N 1 0 366.487 2.207 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107283670 543265839 /nfs/dbraw/zinc/26/58/39/543265839.db2.gz CVDPMQZAZQJDIR-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO C[NH+](C)CCCOc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000110487863 543359217 /nfs/dbraw/zinc/35/92/17/543359217.db2.gz OQSDXXDIFNYXSV-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110490516 543359254 /nfs/dbraw/zinc/35/92/54/543359254.db2.gz AFMUINFPALVEBS-UHFFFAOYSA-N 1 0 371.441 2.253 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110514619 543359676 /nfs/dbraw/zinc/35/96/76/543359676.db2.gz CBSJXHMYXNWHFO-MRXNPFEDSA-N 1 0 355.398 2.091 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112079473 543429648 /nfs/dbraw/zinc/42/96/48/543429648.db2.gz SCVYYRFLUHZKCV-CYBMUJFWSA-N 1 0 357.414 2.142 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919333 543468474 /nfs/dbraw/zinc/46/84/74/543468474.db2.gz MUWRSGVHPRUNFJ-UHFFFAOYSA-N 1 0 357.414 2.419 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000113301306 543483168 /nfs/dbraw/zinc/48/31/68/543483168.db2.gz IOIOXJAYSKXLPW-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247460350 549336295 /nfs/dbraw/zinc/33/62/95/549336295.db2.gz IIFVPHOLJYRWMN-FUHWJXTLSA-N 1 0 363.458 2.142 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117341848 543629535 /nfs/dbraw/zinc/62/95/35/543629535.db2.gz XGVUIQRSNJHGHM-UKRRQHHQSA-N 1 0 360.414 2.061 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1 ZINC000123410314 543760119 /nfs/dbraw/zinc/76/01/19/543760119.db2.gz RBMAEPIIOFBPQE-SECBINFHSA-N 1 0 368.242 2.322 20 5 FEBDRO Cc1cnn(-c2ccncc2NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000124263303 543810225 /nfs/dbraw/zinc/81/02/25/543810225.db2.gz RLXHUJQZVSIZBI-UHFFFAOYSA-N 1 0 355.358 2.018 20 5 FEBDRO CSc1ccc(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000129241573 544099795 /nfs/dbraw/zinc/09/97/95/544099795.db2.gz GZQWGHVJFWVVIH-ZIAGYGMSSA-N 1 0 365.455 2.300 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2ccccc2C1 ZINC000129216352 544097798 /nfs/dbraw/zinc/09/77/98/544097798.db2.gz ORMXEUZUQLRIHM-UHFFFAOYSA-N 1 0 354.410 2.181 20 5 FEBDRO C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1ccnc1 ZINC000129424581 544111497 /nfs/dbraw/zinc/11/14/97/544111497.db2.gz PTDMCJOSZCHPPT-KDOFPFPSSA-N 1 0 369.425 2.264 20 5 FEBDRO CC[N@H+](Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000130002638 544134914 /nfs/dbraw/zinc/13/49/14/544134914.db2.gz REIPZAOHUHLXJD-UHFFFAOYSA-N 1 0 359.430 2.452 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000133530395 544273775 /nfs/dbraw/zinc/27/37/75/544273775.db2.gz NTNCFUKNXWPROW-LLVKDONJSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1nc(N2CC[NH+](CCCOCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000133599085 544276270 /nfs/dbraw/zinc/27/62/70/544276270.db2.gz PHCVSDGJDRMMFW-UHFFFAOYSA-N 1 0 362.352 2.389 20 5 FEBDRO CC1CCC([NH+]2CCC(N(C)C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000138742051 544397524 /nfs/dbraw/zinc/39/75/24/544397524.db2.gz AMXRPBWQZSIBLX-UHFFFAOYSA-N 1 0 363.462 2.293 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137064792 544384016 /nfs/dbraw/zinc/38/40/16/544384016.db2.gz MLLVTUOJBVSUPN-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000143001014 544419372 /nfs/dbraw/zinc/41/93/72/544419372.db2.gz CHBOISQPNDZENH-QGZVFWFLSA-N 1 0 371.441 2.361 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000146246681 544438778 /nfs/dbraw/zinc/43/87/78/544438778.db2.gz IUHXPYSXWIBMTR-CYBMUJFWSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150969065 544492154 /nfs/dbraw/zinc/49/21/54/544492154.db2.gz CZXKBRMWOCJWBU-JSGCOSHPSA-N 1 0 362.386 2.368 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151050752 544499749 /nfs/dbraw/zinc/49/97/49/544499749.db2.gz HROLHXNMFHKXSN-ZDUSSCGKSA-N 1 0 370.247 2.452 20 5 FEBDRO COc1ccc(OCCN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000151268308 544522919 /nfs/dbraw/zinc/52/29/19/544522919.db2.gz FPDVRJFWXUXHGA-UHFFFAOYSA-N 1 0 358.398 2.199 20 5 FEBDRO Cc1nn(C)c(C(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000153100850 544733668 /nfs/dbraw/zinc/73/36/68/544733668.db2.gz ZIUCICSZXOJSGY-UHFFFAOYSA-N 1 0 359.430 2.277 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000153385375 544769030 /nfs/dbraw/zinc/76/90/30/544769030.db2.gz PPWJEJGPTVOYMU-LJQANCHMSA-N 1 0 373.409 2.430 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153818500 544828191 /nfs/dbraw/zinc/82/81/91/544828191.db2.gz WNLSTOXLJAQEQM-OAHLLOKOSA-N 1 0 355.460 2.279 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153818591 544828620 /nfs/dbraw/zinc/82/86/20/544828620.db2.gz WNLSTOXLJAQEQM-HNNXBMFYSA-N 1 0 355.460 2.279 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000154354070 544895515 /nfs/dbraw/zinc/89/55/15/544895515.db2.gz STHSYQKLHPOOST-AWEZNQCLSA-N 1 0 351.451 2.153 20 5 FEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000553283914 674250301 /nfs/dbraw/zinc/25/03/01/674250301.db2.gz KCGWEOBHEQAVAZ-CQSZACIVSA-N 1 0 351.403 2.337 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180518035 327689051 /nfs/dbraw/zinc/68/90/51/327689051.db2.gz VYFAESOWQGFXIB-STQMWFEESA-N 1 0 363.414 2.421 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000181828279 327748484 /nfs/dbraw/zinc/74/84/84/327748484.db2.gz HCQLOCOVGUKTHT-UONOGXRCSA-N 1 0 355.460 2.225 20 5 FEBDRO Nc1c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000182068926 327759592 /nfs/dbraw/zinc/75/95/92/327759592.db2.gz IWAQNUIBCIYPBZ-UHFFFAOYSA-N 1 0 370.409 2.386 20 5 FEBDRO CC(C)(C)CC[NH+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182220038 327766150 /nfs/dbraw/zinc/76/61/50/327766150.db2.gz GEWSQCBATVBLSR-MRXNPFEDSA-N 1 0 365.474 2.388 20 5 FEBDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000182666875 327783897 /nfs/dbraw/zinc/78/38/97/327783897.db2.gz YKIAOWSREBEVMT-UHFFFAOYSA-N 1 0 370.837 2.422 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cnn(C)c1C ZINC000183462235 327819507 /nfs/dbraw/zinc/81/95/07/327819507.db2.gz MYPGCQLYPRVCTL-LLVKDONJSA-N 1 0 361.402 2.325 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000184336302 327862780 /nfs/dbraw/zinc/86/27/80/327862780.db2.gz YXKAXNBGFJCSML-CQSZACIVSA-N 1 0 361.446 2.300 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187085003 328001216 /nfs/dbraw/zinc/00/12/16/328001216.db2.gz LUCQVCVVPYEVEQ-LBPRGKRZSA-N 1 0 350.419 2.326 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187153577 328005352 /nfs/dbraw/zinc/00/53/52/328005352.db2.gz LAEZWNIQGHEOFA-HNNXBMFYSA-N 1 0 370.409 2.290 20 5 FEBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000187333170 328017261 /nfs/dbraw/zinc/01/72/61/328017261.db2.gz XWTRGLCTHFOSJB-UHFFFAOYSA-N 1 0 370.471 2.386 20 5 FEBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000188136840 328068430 /nfs/dbraw/zinc/06/84/30/328068430.db2.gz HOELSJUOSAJMLF-HNNXBMFYSA-N 1 0 362.474 2.474 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000188257380 328076034 /nfs/dbraw/zinc/07/60/34/328076034.db2.gz GPXUSHSKOCVDMJ-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000189442362 328148501 /nfs/dbraw/zinc/14/85/01/328148501.db2.gz QHSURBYSBCTBDL-HNNXBMFYSA-N 1 0 350.463 2.427 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000189554244 328154617 /nfs/dbraw/zinc/15/46/17/328154617.db2.gz DVOJTIFYXPWXGX-ZIAGYGMSSA-N 1 0 360.414 2.137 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000191495026 328268469 /nfs/dbraw/zinc/26/84/69/328268469.db2.gz KYLDEQJDXWLZDR-UHFFFAOYSA-N 1 0 357.414 2.206 20 5 FEBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191654542 328276151 /nfs/dbraw/zinc/27/61/51/328276151.db2.gz JLZDOHRERADZLF-IBGZPJMESA-N 1 0 361.442 2.357 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+]2CCCC2)n1 ZINC000191760317 328280215 /nfs/dbraw/zinc/28/02/15/328280215.db2.gz DUJWERNTVSAKBK-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193302500 328367882 /nfs/dbraw/zinc/36/78/82/328367882.db2.gz REJQIDWDKVMUEJ-ZDUSSCGKSA-N 1 0 366.443 2.137 20 5 FEBDRO Cc1nn(C)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000194080363 328410181 /nfs/dbraw/zinc/41/01/81/328410181.db2.gz KYBUTZICJFZMFR-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO COc1cccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000022683366 324399476 /nfs/dbraw/zinc/39/94/76/324399476.db2.gz QWDVXTYMLXQKPF-KRWDZBQOSA-N 1 0 373.409 2.401 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000053672009 324747115 /nfs/dbraw/zinc/74/71/15/324747115.db2.gz CFSMJJUSKLRYIY-UHFFFAOYSA-N 1 0 355.460 2.336 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000089393693 325314699 /nfs/dbraw/zinc/31/46/99/325314699.db2.gz WOCFVYJRNSHZTR-UHFFFAOYSA-N 1 0 369.425 2.435 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000090554163 325363382 /nfs/dbraw/zinc/36/33/82/325363382.db2.gz GPFNPYZNPWWHLF-UHFFFAOYSA-N 1 0 361.373 2.191 20 5 FEBDRO [NH3+]C[C@H]1CCCN1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000238032393 328538801 /nfs/dbraw/zinc/53/88/01/328538801.db2.gz ICCCRPQVNRGOTL-LLVKDONJSA-N 1 0 360.336 2.365 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107707467 325633898 /nfs/dbraw/zinc/63/38/98/325633898.db2.gz UAVWMZXLWSVRBK-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO COc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1OC ZINC000114708547 325915071 /nfs/dbraw/zinc/91/50/71/325915071.db2.gz SBJJMPJSLJEFRJ-ZDUSSCGKSA-N 1 0 363.418 2.369 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000116907561 326041682 /nfs/dbraw/zinc/04/16/82/326041682.db2.gz LBWIRACGDPXPIP-GFCCVEGCSA-N 1 0 367.402 2.363 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118117666 326083215 /nfs/dbraw/zinc/08/32/15/326083215.db2.gz OUMYRUAFVDGLAU-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118787575 326102234 /nfs/dbraw/zinc/10/22/34/326102234.db2.gz NJPKCLCXBQDKKY-AWEZNQCLSA-N 1 0 363.462 2.298 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118792962 326102345 /nfs/dbraw/zinc/10/23/45/326102345.db2.gz GJOUQMHZNJDTNK-CQSZACIVSA-N 1 0 363.462 2.298 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119319072 326148687 /nfs/dbraw/zinc/14/86/87/326148687.db2.gz PTTHMLJHQMFZOW-OAHLLOKOSA-N 1 0 371.441 2.488 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119730782 326192753 /nfs/dbraw/zinc/19/27/53/326192753.db2.gz NILABHXGIIGGQW-UKRRQHHQSA-N 1 0 362.430 2.030 20 5 FEBDRO Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000120722756 326282036 /nfs/dbraw/zinc/28/20/36/326282036.db2.gz NIXOVVQZPBOKJS-LBPRGKRZSA-N 1 0 373.369 2.331 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120760627 326285862 /nfs/dbraw/zinc/28/58/62/326285862.db2.gz CLHQYUSWDFZYLG-ZDUSSCGKSA-N 1 0 355.460 2.368 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120863722 326294397 /nfs/dbraw/zinc/29/43/97/326294397.db2.gz SNBPUIWIOPPKRE-GUYCJALGSA-N 1 0 357.414 2.193 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120954750 326302117 /nfs/dbraw/zinc/30/21/17/326302117.db2.gz CGDKQXUJEYFJJM-JKSUJKDBSA-N 1 0 367.471 2.026 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121075402 326311187 /nfs/dbraw/zinc/31/11/87/326311187.db2.gz VJTRMDOAYWYXIR-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000121832151 326370625 /nfs/dbraw/zinc/37/06/25/326370625.db2.gz VDJHPDNXTNFNJR-KBPBESRZSA-N 1 0 362.430 2.139 20 5 FEBDRO COc1cc(C(=O)NCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000121851858 326371867 /nfs/dbraw/zinc/37/18/67/326371867.db2.gz YCHSHXDVVAXENP-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000122126560 326384853 /nfs/dbraw/zinc/38/48/53/326384853.db2.gz ZEMNFWJSPHXSPK-UHFFFAOYSA-N 1 0 362.352 2.389 20 5 FEBDRO Cc1sc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000127110504 326500496 /nfs/dbraw/zinc/50/04/96/326500496.db2.gz GRPPRULILBFCIL-UHFFFAOYSA-N 1 0 361.489 2.365 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000128084411 326517635 /nfs/dbraw/zinc/51/76/35/326517635.db2.gz UMVPDEBCLHSEKY-UHFFFAOYSA-N 1 0 370.475 2.035 20 5 FEBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000128414167 326523276 /nfs/dbraw/zinc/52/32/76/326523276.db2.gz FQSVAOYNSISWSR-CHWSQXEVSA-N 1 0 356.220 2.286 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2[N+](=O)[O-])C1 ZINC000134987414 326634549 /nfs/dbraw/zinc/63/45/49/326634549.db2.gz VCGUGJOUGVIUAJ-OKILXGFUSA-N 1 0 360.458 2.463 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000150881440 326670184 /nfs/dbraw/zinc/67/01/84/326670184.db2.gz QFRNPHKTXLQLQO-CQSZACIVSA-N 1 0 367.471 2.453 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169028 326676345 /nfs/dbraw/zinc/67/63/45/326676345.db2.gz QCDVQPQMTCYAHY-ADSMDIBLSA-N 1 0 363.414 2.478 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000154426149 326759676 /nfs/dbraw/zinc/75/96/76/326759676.db2.gz IQDLIJPQNCWFRF-ROUUACIJSA-N 1 0 350.415 2.288 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158180258 326887591 /nfs/dbraw/zinc/88/75/91/326887591.db2.gz JNCKQSXDDHYRHY-AWEZNQCLSA-N 1 0 354.204 2.183 20 5 FEBDRO CC1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000165113795 327076703 /nfs/dbraw/zinc/07/67/03/327076703.db2.gz OQNXYGDVOUOEIW-UHFFFAOYSA-N 1 0 371.441 2.210 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)c2)CC1 ZINC000165983503 327079975 /nfs/dbraw/zinc/07/99/75/327079975.db2.gz YLTBMIYLVNMGHH-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000166290976 327081354 /nfs/dbraw/zinc/08/13/54/327081354.db2.gz NNOXZHJJDOIYPA-UHFFFAOYSA-N 1 0 373.450 2.476 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000170801771 327099885 /nfs/dbraw/zinc/09/98/85/327099885.db2.gz TUZYSTGAWHKWEF-UHFFFAOYSA-N 1 0 369.425 2.275 20 5 FEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171775273 327160732 /nfs/dbraw/zinc/16/07/32/327160732.db2.gz CWRHLEQXPLYGPQ-UHFFFAOYSA-N 1 0 371.441 2.317 20 5 FEBDRO Cc1ccc(F)c(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000172043967 327177594 /nfs/dbraw/zinc/17/75/94/327177594.db2.gz USEJQYNANPJJHS-UHFFFAOYSA-N 1 0 367.402 2.110 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172422021 327200981 /nfs/dbraw/zinc/20/09/81/327200981.db2.gz LYTAIHHCLQWMTC-UHFFFAOYSA-N 1 0 363.458 2.408 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000172765180 327217960 /nfs/dbraw/zinc/21/79/60/327217960.db2.gz NDFKZJGFDVVUBT-TZMCWYRMSA-N 1 0 350.419 2.333 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000173138012 327237045 /nfs/dbraw/zinc/23/70/45/327237045.db2.gz AAOKHFPQGDTDST-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173374807 327252520 /nfs/dbraw/zinc/25/25/20/327252520.db2.gz GLQBRAFOHWZPKS-IRXDYDNUSA-N 1 0 374.485 2.154 20 5 FEBDRO CCc1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000174151391 327309235 /nfs/dbraw/zinc/30/92/35/327309235.db2.gz XWUDQBBPRVOTLN-UHFFFAOYSA-N 1 0 374.485 2.446 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174176443 327310942 /nfs/dbraw/zinc/31/09/42/327310942.db2.gz VGMQZTJUANMOEJ-INIZCTEOSA-N 1 0 357.414 2.337 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174369480 327322816 /nfs/dbraw/zinc/32/28/16/327322816.db2.gz VYEREVCZMYJQAH-QGZVFWFLSA-N 1 0 361.446 2.229 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc([N+](=O)[O-])c1 ZINC000174536660 327333213 /nfs/dbraw/zinc/33/32/13/327333213.db2.gz FITZWBGADLGVKR-CYBMUJFWSA-N 1 0 363.414 2.185 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174540233 327333419 /nfs/dbraw/zinc/33/34/19/327333419.db2.gz KLVWYLFXROKYED-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000174701811 327344388 /nfs/dbraw/zinc/34/43/88/327344388.db2.gz YTMSVVKRDWHHDS-LJQANCHMSA-N 1 0 358.442 2.497 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174955374 327363470 /nfs/dbraw/zinc/36/34/70/327363470.db2.gz ZCUNFIDQDZLNHM-MRXNPFEDSA-N 1 0 371.441 2.231 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000178688920 327600371 /nfs/dbraw/zinc/60/03/71/327600371.db2.gz GKVOORZCMZVIQK-DZGCQCFKSA-N 1 0 357.414 2.483 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000248580087 328727594 /nfs/dbraw/zinc/72/75/94/328727594.db2.gz IGKRJVFFVXTGCP-LZWOXQAQSA-N 1 0 358.394 2.489 20 5 FEBDRO O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000249808954 328781377 /nfs/dbraw/zinc/78/13/77/328781377.db2.gz XYVFPXIEROCDGS-QGTPRVQTSA-N 1 0 358.442 2.164 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261657984 328809374 /nfs/dbraw/zinc/80/93/74/328809374.db2.gz KKBDUZPQQZLDRW-SUHUHFCYSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1c(-c2nc(C3([NH3+])CCCC3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261768943 328818381 /nfs/dbraw/zinc/81/83/81/328818381.db2.gz NBGMTKRFYNIGAA-UHFFFAOYSA-N 1 0 355.358 2.262 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000261913038 328828963 /nfs/dbraw/zinc/82/89/63/328828963.db2.gz YKNIOISCGXEFFH-DGCLKSJQSA-N 1 0 353.444 2.032 20 5 FEBDRO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746889 328886226 /nfs/dbraw/zinc/88/62/26/328886226.db2.gz AMQNRHXOHAPYQK-DTWKUNHWSA-N 1 0 367.349 2.032 20 5 FEBDRO COc1ccc(CNC(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000264236164 329003305 /nfs/dbraw/zinc/00/33/05/329003305.db2.gz DQSVFMVENICBQY-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264315946 329009636 /nfs/dbraw/zinc/00/96/36/329009636.db2.gz OZSCYZGIJQWEMV-HNNXBMFYSA-N 1 0 369.425 2.065 20 5 FEBDRO C[NH+](C)CCOc1ccccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000265615774 329143458 /nfs/dbraw/zinc/14/34/58/329143458.db2.gz WJJMJGDFLBIXRR-UHFFFAOYSA-N 1 0 371.441 2.257 20 5 FEBDRO COc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265975386 329178198 /nfs/dbraw/zinc/17/81/98/329178198.db2.gz XDBOBNNBGBFPPK-ZDUSSCGKSA-N 1 0 353.419 2.318 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266046291 329184970 /nfs/dbraw/zinc/18/49/70/329184970.db2.gz XSNOBMPVKOEAKU-INIZCTEOSA-N 1 0 350.415 2.227 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324443 329314815 /nfs/dbraw/zinc/31/48/15/329314815.db2.gz ZMSTYQVEMWZKRS-OLZOCXBDSA-N 1 0 353.444 2.061 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])nc2)C1 ZINC000269417047 329517665 /nfs/dbraw/zinc/51/76/65/329517665.db2.gz JGMYJJWTAKULID-MRXNPFEDSA-N 1 0 369.425 2.311 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000270619521 329615958 /nfs/dbraw/zinc/61/59/58/329615958.db2.gz DBWNPUJNGVRXOO-KGLIPLIRSA-N 1 0 372.878 2.164 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271143783 329666324 /nfs/dbraw/zinc/66/63/24/329666324.db2.gz OWTYOHBBEXGQNT-GXTWGEPZSA-N 1 0 371.459 2.068 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272700043 329805799 /nfs/dbraw/zinc/80/57/99/329805799.db2.gz YGPWVKPHLJSKIU-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274591398 329963187 /nfs/dbraw/zinc/96/31/87/329963187.db2.gz JSAMAMLZVPIHIP-LBPRGKRZSA-N 1 0 367.446 2.437 20 5 FEBDRO CS[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275033460 330003905 /nfs/dbraw/zinc/00/39/05/330003905.db2.gz FYTFDHUECFDICN-GVDBMIGSSA-N 1 0 351.472 2.140 20 5 FEBDRO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000275764685 330086400 /nfs/dbraw/zinc/08/64/00/330086400.db2.gz UCPFRRREKZIZBK-MRXNPFEDSA-N 1 0 356.444 2.163 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000276136717 330122917 /nfs/dbraw/zinc/12/29/17/330122917.db2.gz APNCNYIJRFVYLK-UHFFFAOYSA-N 1 0 351.432 2.403 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276469917 330155468 /nfs/dbraw/zinc/15/54/68/330155468.db2.gz YLICNWKJSXHWAS-OCCSQVGLSA-N 1 0 352.387 2.113 20 5 FEBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367059171 330212251 /nfs/dbraw/zinc/21/22/51/330212251.db2.gz CCVGQOKRQJLMJV-WBMJQRKESA-N 1 0 354.401 2.335 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187588 330275937 /nfs/dbraw/zinc/27/59/37/330275937.db2.gz OLVLOJIKOHYVDA-GJZGRUSLSA-N 1 0 370.471 2.179 20 5 FEBDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000554867239 674339244 /nfs/dbraw/zinc/33/92/44/674339244.db2.gz PJHDAJVPDQIHPL-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000555070441 674346694 /nfs/dbraw/zinc/34/66/94/674346694.db2.gz DGOWYBKDXPQYKT-NSHDSACASA-N 1 0 359.329 2.246 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000155333827 545513313 /nfs/dbraw/zinc/51/33/13/545513313.db2.gz DUMPCWODDBBHMB-AWEZNQCLSA-N 1 0 367.409 2.374 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000155531899 545538549 /nfs/dbraw/zinc/53/85/49/545538549.db2.gz PWXIEAFLSSFUTB-SFHVURJKSA-N 1 0 371.437 2.459 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156335266 545618120 /nfs/dbraw/zinc/61/81/20/545618120.db2.gz PSOXSIGBDSQBHG-MRXNPFEDSA-N 1 0 369.487 2.382 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C(C)C)cc1OC ZINC000156771323 545658296 /nfs/dbraw/zinc/65/82/96/545658296.db2.gz XJADZYRJTZDSCD-UHFFFAOYSA-N 1 0 353.419 2.414 20 5 FEBDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157907923 545799302 /nfs/dbraw/zinc/79/93/02/545799302.db2.gz BUOIGWUKLYIFTJ-UHFFFAOYSA-N 1 0 361.377 2.281 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000160146421 546011043 /nfs/dbraw/zinc/01/10/43/546011043.db2.gz NIHDXXAUQAVHLI-UHFFFAOYSA-N 1 0 371.459 2.194 20 5 FEBDRO Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000160156911 546012531 /nfs/dbraw/zinc/01/25/31/546012531.db2.gz ANIAZRNJGVABGM-IAGOWNOFSA-N 1 0 361.442 2.401 20 5 FEBDRO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160643158 546059167 /nfs/dbraw/zinc/05/91/67/546059167.db2.gz VRJWSNUPQXQUFR-CVEARBPZSA-N 1 0 373.384 2.099 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000161126054 546103155 /nfs/dbraw/zinc/10/31/55/546103155.db2.gz OZJACOMEQACDJQ-DTWKUNHWSA-N 1 0 359.329 2.205 20 5 FEBDRO [NH3+]CCCCc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000162521206 546140254 /nfs/dbraw/zinc/14/02/54/546140254.db2.gz NSZIICUXYQEXCC-UHFFFAOYSA-N 1 0 354.208 2.279 20 5 FEBDRO CCOc1ccc(C(=O)NC2CC[NH+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC000171138427 546193325 /nfs/dbraw/zinc/19/33/25/546193325.db2.gz DJZLKXSNMSIXMR-UHFFFAOYSA-N 1 0 365.430 2.224 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176334693 546433189 /nfs/dbraw/zinc/43/31/89/546433189.db2.gz YNXBLPQFSSPFDP-CQSZACIVSA-N 1 0 352.435 2.232 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000480513440 561211012 /nfs/dbraw/zinc/21/10/12/561211012.db2.gz CVJWGPUIFNBJIA-AWEZNQCLSA-N 1 0 370.475 2.309 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031949 546528259 /nfs/dbraw/zinc/52/82/59/546528259.db2.gz OYHZJRNWPGENOF-SMDDNHRTSA-N 1 0 361.398 2.127 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000481060124 561224114 /nfs/dbraw/zinc/22/41/14/561224114.db2.gz ZSXCUPDISQSHAF-UHFFFAOYSA-N 1 0 360.399 2.034 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737330 561240294 /nfs/dbraw/zinc/24/02/94/561240294.db2.gz CWZZAJTVSJGLJO-ZBFHGGJFSA-N 1 0 352.387 2.016 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745296 561240711 /nfs/dbraw/zinc/24/07/11/561240711.db2.gz CHFYAHMSRNZIFD-ZBFHGGJFSA-N 1 0 352.387 2.016 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCC(=O)NC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000481770650 561241602 /nfs/dbraw/zinc/24/16/02/561241602.db2.gz UEFZJDHNVOVRLP-UHFFFAOYSA-N 1 0 364.446 2.030 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000179923764 547029558 /nfs/dbraw/zinc/02/95/58/547029558.db2.gz MEWINBVXLPPZFL-HNNXBMFYSA-N 1 0 357.366 2.356 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1OC ZINC000482515973 561255378 /nfs/dbraw/zinc/25/53/78/561255378.db2.gz BAQVZWIJHIFXLA-ZYIUAKIQSA-N 1 0 351.403 2.094 20 5 FEBDRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180450918 547109839 /nfs/dbraw/zinc/10/98/39/547109839.db2.gz LJCPYCQOWFSBOM-XJKSGUPXSA-N 1 0 363.414 2.190 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)Cc1ccccc1 ZINC000180524036 547124124 /nfs/dbraw/zinc/12/41/24/547124124.db2.gz KRMVLLVSHAAUBN-HNNXBMFYSA-N 1 0 371.441 2.255 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180570801 547132780 /nfs/dbraw/zinc/13/27/80/547132780.db2.gz WLQJTBWPASTHBK-AWEZNQCLSA-N 1 0 369.425 2.309 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180830932 547188240 /nfs/dbraw/zinc/18/82/40/547188240.db2.gz KPAMXVPUYGMGET-CQSZACIVSA-N 1 0 363.439 2.394 20 5 FEBDRO CC(=O)N1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC000182205986 547452374 /nfs/dbraw/zinc/45/23/74/547452374.db2.gz NGKWKNMUIRRDRP-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000182729382 547542379 /nfs/dbraw/zinc/54/23/79/547542379.db2.gz MVHFCGBMOSSLKK-MRXNPFEDSA-N 1 0 358.394 2.401 20 5 FEBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000183181276 547616909 /nfs/dbraw/zinc/61/69/09/547616909.db2.gz UIGBMVROFBJRJT-KBXCAEBGSA-N 1 0 372.425 2.032 20 5 FEBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000183341686 547640959 /nfs/dbraw/zinc/64/09/59/547640959.db2.gz DPWOJJHAJRLUGF-XXTMNZORSA-N 1 0 361.442 2.351 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000484670063 561302975 /nfs/dbraw/zinc/30/29/75/561302975.db2.gz NHOBBTKAYJSKCW-DGCLKSJQSA-N 1 0 353.444 2.032 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184601274 547852076 /nfs/dbraw/zinc/85/20/76/547852076.db2.gz XCNWLOULIVIVOG-AWEZNQCLSA-N 1 0 355.460 2.088 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184883405 547893560 /nfs/dbraw/zinc/89/35/60/547893560.db2.gz NFUHNYKOSOSXLN-SJLPKXTDSA-N 1 0 363.458 2.127 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184943001 547904432 /nfs/dbraw/zinc/90/44/32/547904432.db2.gz SVQYOKLPADLGGR-AWEZNQCLSA-N 1 0 369.425 2.309 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000186131682 548089536 /nfs/dbraw/zinc/08/95/36/548089536.db2.gz YIPPYSZFLHHJQM-UHFFFAOYSA-N 1 0 359.423 2.197 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000485871842 561330641 /nfs/dbraw/zinc/33/06/41/561330641.db2.gz IGGYMRBADSQJHY-CYBMUJFWSA-N 1 0 364.446 2.467 20 5 FEBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186764348 548187757 /nfs/dbraw/zinc/18/77/57/548187757.db2.gz WJHPXCOSCLZVOV-CYBMUJFWSA-N 1 0 362.411 2.324 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000194146073 548440821 /nfs/dbraw/zinc/44/08/21/548440821.db2.gz JMPXEPRDGNGGPI-AWEZNQCLSA-N 1 0 365.430 2.145 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891640 561359046 /nfs/dbraw/zinc/35/90/46/561359046.db2.gz DCRSIQIDBSZXLH-NEPJUHHUSA-N 1 0 364.402 2.246 20 5 FEBDRO Cn1c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487038307 561362025 /nfs/dbraw/zinc/36/20/25/561362025.db2.gz HOMNEKGWHCDGLL-INIZCTEOSA-N 1 0 356.426 2.228 20 5 FEBDRO CCC([NH3+])(CC)CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000236764823 548777739 /nfs/dbraw/zinc/77/77/39/548777739.db2.gz RSWKOZYTXUTOGB-UHFFFAOYSA-N 1 0 355.460 2.470 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000236893196 548787345 /nfs/dbraw/zinc/78/73/45/548787345.db2.gz SNQDUZBOIDICLK-AWEZNQCLSA-N 1 0 359.382 2.432 20 5 FEBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000236942417 548789370 /nfs/dbraw/zinc/78/93/70/548789370.db2.gz FSYUMXIUUJTXDL-ZIAGYGMSSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237237043 548811124 /nfs/dbraw/zinc/81/11/24/548811124.db2.gz ZQCDNMPLZAKGIL-VHSXEESVSA-N 1 0 373.356 2.404 20 5 FEBDRO COc1cc(C(=O)NCC2([NH3+])CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000237252137 548812603 /nfs/dbraw/zinc/81/26/03/548812603.db2.gz GGQJDPIPEHXFBQ-UHFFFAOYSA-N 1 0 351.403 2.394 20 5 FEBDRO COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH2+]CC2)cc1 ZINC000237455346 548827847 /nfs/dbraw/zinc/82/78/47/548827847.db2.gz NMJLFKYLTQWYFY-UHFFFAOYSA-N 1 0 357.366 2.441 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971135 561380270 /nfs/dbraw/zinc/38/02/70/561380270.db2.gz MWJOKNWUPYTSLO-KRWDZBQOSA-N 1 0 364.446 2.204 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245542972 548942900 /nfs/dbraw/zinc/94/29/00/548942900.db2.gz KMXPSOVTJNELBM-SUMWQHHRSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000246150972 549064167 /nfs/dbraw/zinc/06/41/67/549064167.db2.gz LAOXYFNAQLSEKK-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246342590 549109536 /nfs/dbraw/zinc/10/95/36/549109536.db2.gz JAXNYBRGLSBLSI-NXEZZACHSA-N 1 0 357.794 2.316 20 5 FEBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246715518 549194044 /nfs/dbraw/zinc/19/40/44/549194044.db2.gz KZJCKZNTGMGTDI-AEFFLSMTSA-N 1 0 360.414 2.388 20 5 FEBDRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000246808451 549218029 /nfs/dbraw/zinc/21/80/29/549218029.db2.gz RVMYNKOFFJRQEX-MJGOQNOKSA-N 1 0 369.421 2.208 20 5 FEBDRO CCOc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247138464 549290885 /nfs/dbraw/zinc/29/08/85/549290885.db2.gz JPKKHZYVPFQLBW-OLZOCXBDSA-N 1 0 363.414 2.311 20 5 FEBDRO CCc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000247698355 549373911 /nfs/dbraw/zinc/37/39/11/549373911.db2.gz XDUMSNRJFBRXRR-WCQYABFASA-N 1 0 353.448 2.173 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406104 549430270 /nfs/dbraw/zinc/43/02/70/549430270.db2.gz SBADKYXGSGFNMQ-DZGCQCFKSA-N 1 0 370.413 2.417 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248956050 549531060 /nfs/dbraw/zinc/53/10/60/549531060.db2.gz BMXVUFRVVQSOHG-UONOGXRCSA-N 1 0 355.460 2.315 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000249073774 549546093 /nfs/dbraw/zinc/54/60/93/549546093.db2.gz LICBLHHVKYNEGQ-IUODEOHRSA-N 1 0 366.368 2.310 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000249074459 549547067 /nfs/dbraw/zinc/54/70/67/549547067.db2.gz QUYLBFZUTDALBZ-OBJOEFQTSA-N 1 0 351.403 2.077 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249118821 549556214 /nfs/dbraw/zinc/55/62/14/549556214.db2.gz TUEUQJJDINNTGO-YQQAZPJKSA-N 1 0 363.458 2.077 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000490043139 561425089 /nfs/dbraw/zinc/42/50/89/561425089.db2.gz YKDBPMXJJLFHOU-HUUCEWRRSA-N 1 0 369.377 2.151 20 5 FEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000490088941 561426320 /nfs/dbraw/zinc/42/63/20/561426320.db2.gz NDWGKZOFYSFARD-IAGOWNOFSA-N 1 0 350.415 2.355 20 5 FEBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCn2cc([N+](=O)[O-])nc2C)cc1 ZINC000261934089 549771062 /nfs/dbraw/zinc/77/10/62/549771062.db2.gz JXOOWHFOCDETOX-KRWDZBQOSA-N 1 0 371.441 2.225 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000262139034 549792288 /nfs/dbraw/zinc/79/22/88/549792288.db2.gz XAOUWHUGEXXQDO-MRXNPFEDSA-N 1 0 353.444 2.034 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000262585316 549830248 /nfs/dbraw/zinc/83/02/48/549830248.db2.gz NYTRKQZBGCPBTE-UHFFFAOYSA-N 1 0 355.460 2.280 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268284428 550044745 /nfs/dbraw/zinc/04/47/45/550044745.db2.gz XFQRSONQXKLOKQ-CYBMUJFWSA-N 1 0 355.460 2.388 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000268514329 550079653 /nfs/dbraw/zinc/07/96/53/550079653.db2.gz YEFYBQIAKNFTIU-UHFFFAOYSA-N 1 0 360.414 2.041 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000491977460 561448552 /nfs/dbraw/zinc/44/85/52/561448552.db2.gz PFGARYJJBYWIGD-IAGOWNOFSA-N 1 0 365.405 2.232 20 5 FEBDRO CSC[C@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268974382 550139342 /nfs/dbraw/zinc/13/93/42/550139342.db2.gz OLWZLNMUGRWWOH-SNVBAGLBSA-N 1 0 353.400 2.089 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999335 550142304 /nfs/dbraw/zinc/14/23/04/550142304.db2.gz JNHJANSWYDSAPT-JSGCOSHPSA-N 1 0 363.414 2.168 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999336 550142589 /nfs/dbraw/zinc/14/25/89/550142589.db2.gz JNHJANSWYDSAPT-OCCSQVGLSA-N 1 0 363.414 2.168 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000269124731 550158219 /nfs/dbraw/zinc/15/82/19/550158219.db2.gz WQDOUARFIWYPJZ-TZMCWYRMSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000269146979 550160637 /nfs/dbraw/zinc/16/06/37/550160637.db2.gz KALRYQRVFOPRBG-ZWKOTPCHSA-N 1 0 361.442 2.401 20 5 FEBDRO CSc1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1[N+](=O)[O-] ZINC000269153608 550161319 /nfs/dbraw/zinc/16/13/19/550161319.db2.gz CUMYJMIAEIVEQF-UHFFFAOYSA-N 1 0 373.438 2.374 20 5 FEBDRO CCOc1cc(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000493573494 561457001 /nfs/dbraw/zinc/45/70/01/561457001.db2.gz PIMZLZIDCPWWHI-AWEZNQCLSA-N 1 0 351.447 2.271 20 5 FEBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000270340344 550263494 /nfs/dbraw/zinc/26/34/94/550263494.db2.gz DTYSLTAQGJHJCW-MNOVXSKESA-N 1 0 361.265 2.234 20 5 FEBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271577963 550387252 /nfs/dbraw/zinc/38/72/52/550387252.db2.gz PPGGFRVEPSQLEB-SNVBAGLBSA-N 1 0 355.416 2.335 20 5 FEBDRO COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271668280 550393567 /nfs/dbraw/zinc/39/35/67/550393567.db2.gz MPCAWHXPHKVLAI-SUMWQHHRSA-N 1 0 374.393 2.472 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274176 550433572 /nfs/dbraw/zinc/43/35/72/550433572.db2.gz LXDWCIXITUTVBB-DOMZBBRYSA-N 1 0 357.414 2.267 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000272305379 550436239 /nfs/dbraw/zinc/43/62/39/550436239.db2.gz RAMVXZMGEHUFOB-HTQZYQBOSA-N 1 0 360.183 2.306 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000272452593 550449206 /nfs/dbraw/zinc/44/92/06/550449206.db2.gz MVWFHBZIGSFDNB-GJZGRUSLSA-N 1 0 362.430 2.229 20 5 FEBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272846081 550473347 /nfs/dbraw/zinc/47/33/47/550473347.db2.gz GXCODDNUDSFKBS-ZDUSSCGKSA-N 1 0 355.398 2.161 20 5 FEBDRO CC(=O)N1CCN(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272865360 550474133 /nfs/dbraw/zinc/47/41/33/550474133.db2.gz RKZXUCHUCZVCCZ-UHFFFAOYSA-N 1 0 357.414 2.027 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274037356 550520494 /nfs/dbraw/zinc/52/04/94/550520494.db2.gz MZBHILJITOBGKZ-CVEARBPZSA-N 1 0 364.471 2.045 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000274934209 550565845 /nfs/dbraw/zinc/56/58/45/550565845.db2.gz OYEUFSCAECNYNE-JZXOWHBKSA-N 1 0 360.414 2.277 20 5 FEBDRO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274955054 550567280 /nfs/dbraw/zinc/56/72/80/550567280.db2.gz JINPBESASHCNPA-UHFFFAOYSA-N 1 0 374.422 2.497 20 5 FEBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000276934465 550612687 /nfs/dbraw/zinc/61/26/87/550612687.db2.gz MUTQGZCWVXCTAB-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO CCC[NH+]1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277173889 550639978 /nfs/dbraw/zinc/63/99/78/550639978.db2.gz JJIJCBMDGMPZNN-UHFFFAOYSA-N 1 0 364.402 2.249 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277482053 550675974 /nfs/dbraw/zinc/67/59/74/550675974.db2.gz IUNHTOILYIGZME-CYBMUJFWSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000277607516 550691017 /nfs/dbraw/zinc/69/10/17/550691017.db2.gz AMGHIXGOECROGK-STQMWFEESA-N 1 0 374.445 2.391 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277631073 550694315 /nfs/dbraw/zinc/69/43/15/550694315.db2.gz DGVAGWVQTGYUQA-GFCCVEGCSA-N 1 0 360.418 2.002 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000277648022 550696344 /nfs/dbraw/zinc/69/63/44/550696344.db2.gz UPVORLMTLKBOGA-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277673645 550700019 /nfs/dbraw/zinc/70/00/19/550700019.db2.gz AJELHXDQPFIUIW-UHFFFAOYSA-N 1 0 360.418 2.146 20 5 FEBDRO CCOC1CC(O)(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000277801551 550715462 /nfs/dbraw/zinc/71/54/62/550715462.db2.gz XOWGVOAXJUDIQN-UHFFFAOYSA-N 1 0 360.414 2.015 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC000278310548 550771543 /nfs/dbraw/zinc/77/15/43/550771543.db2.gz SXAUJYXIBPFDIB-VXNVDRBHSA-N 1 0 360.183 2.367 20 5 FEBDRO Nc1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ccn1 ZINC000278344906 550775184 /nfs/dbraw/zinc/77/51/84/550775184.db2.gz CNZQWTAAXDUIQX-UHFFFAOYSA-N 1 0 367.413 2.161 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)CC1 ZINC000278438392 550785949 /nfs/dbraw/zinc/78/59/49/550785949.db2.gz QJDZXZISXQRKME-LBPRGKRZSA-N 1 0 373.379 2.225 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278731768 550816109 /nfs/dbraw/zinc/81/61/09/550816109.db2.gz WHLBSTGOQCREJM-CYBMUJFWSA-N 1 0 369.849 2.408 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000278772062 550820355 /nfs/dbraw/zinc/82/03/55/550820355.db2.gz NRCPNKSTXQABNI-NZVBXONLSA-N 1 0 371.821 2.359 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]2C1 ZINC000279215306 550865832 /nfs/dbraw/zinc/86/58/32/550865832.db2.gz OKTGOPRGMANMKY-DTORHVGOSA-N 1 0 372.194 2.130 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000495471501 561488755 /nfs/dbraw/zinc/48/87/55/561488755.db2.gz YJLVLJNERPWBDK-USXIJHARSA-N 1 0 352.431 2.063 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280943229 551048170 /nfs/dbraw/zinc/04/81/70/551048170.db2.gz IBDCGLLHXRUYNE-HKUYNNGSSA-N 1 0 373.409 2.021 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000281355949 551087872 /nfs/dbraw/zinc/08/78/72/551087872.db2.gz LVHVAWNWBAABES-LBPRGKRZSA-N 1 0 355.439 2.320 20 5 FEBDRO O=C1N[C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2CO1 ZINC000281393306 551091852 /nfs/dbraw/zinc/09/18/52/551091852.db2.gz PYIFQRLKJYYKEP-HIFRSBDPSA-N 1 0 372.381 2.223 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281842445 551146853 /nfs/dbraw/zinc/14/68/53/551146853.db2.gz OGCQHJXBUGRURU-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281889219 551153582 /nfs/dbraw/zinc/15/35/82/551153582.db2.gz YBHARRGQHISCIX-FYWRMAATSA-N 1 0 360.458 2.140 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282087928 551179160 /nfs/dbraw/zinc/17/91/60/551179160.db2.gz JDJRWQLPBBPICJ-UHFFFAOYSA-N 1 0 368.409 2.171 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282173639 551190421 /nfs/dbraw/zinc/19/04/21/551190421.db2.gz VHTNJCZEUSLZKC-QGZVFWFLSA-N 1 0 359.426 2.423 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000498470021 561524974 /nfs/dbraw/zinc/52/49/74/561524974.db2.gz XHHXUFBPLOXKBG-AWEZNQCLSA-N 1 0 351.451 2.261 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765357 551627861 /nfs/dbraw/zinc/62/78/61/551627861.db2.gz MOGDCHLMKNSEMO-WOJBJXKFSA-N 1 0 355.438 2.487 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000285405583 551751140 /nfs/dbraw/zinc/75/11/40/551751140.db2.gz FKJOVLODIUMFOC-UHFFFAOYSA-N 1 0 356.444 2.441 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285574179 551776914 /nfs/dbraw/zinc/77/69/14/551776914.db2.gz NZCXNTFXXIYOLN-HIFRSBDPSA-N 1 0 362.430 2.101 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Cl ZINC000285636077 551786856 /nfs/dbraw/zinc/78/68/56/551786856.db2.gz ZAGSPPSOPQQXMH-UHFFFAOYSA-N 1 0 353.766 2.164 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286684123 551914426 /nfs/dbraw/zinc/91/44/26/551914426.db2.gz AHKCFGBOPLFZTF-PBHICJAKSA-N 1 0 358.442 2.043 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000286720360 551918452 /nfs/dbraw/zinc/91/84/52/551918452.db2.gz NGCUHBHBKRZJMG-GXTWGEPZSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000499464368 561551589 /nfs/dbraw/zinc/55/15/89/561551589.db2.gz NLUNSFNXQRXAAU-GJZGRUSLSA-N 1 0 371.441 2.221 20 5 FEBDRO CCC[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000499653430 561555304 /nfs/dbraw/zinc/55/53/04/561555304.db2.gz AOQKLJONKPAZEG-LBPRGKRZSA-N 1 0 353.448 2.241 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288380331 552143704 /nfs/dbraw/zinc/14/37/04/552143704.db2.gz VICXAFKKJMASNM-WMLDXEAASA-N 1 0 371.441 2.269 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000289280036 552294392 /nfs/dbraw/zinc/29/43/92/552294392.db2.gz ZCIFVQHIIWDHMD-HIFRSBDPSA-N 1 0 374.441 2.235 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000500409145 561571909 /nfs/dbraw/zinc/57/19/09/561571909.db2.gz OGIXFURSDHBZGC-ZDUSSCGKSA-N 1 0 370.475 2.179 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000500792062 561582561 /nfs/dbraw/zinc/58/25/61/561582561.db2.gz CSRRHBQNYCXBND-MRXNPFEDSA-N 1 0 371.441 2.141 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000500936238 561586097 /nfs/dbraw/zinc/58/60/97/561586097.db2.gz PSPITJIJRSTUBK-HOCLYGCPSA-N 1 0 369.487 2.272 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291730581 552655552 /nfs/dbraw/zinc/65/55/52/552655552.db2.gz JOTTYQNCUSLVJM-HXUWFJFHSA-N 1 0 371.437 2.074 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292077178 552691425 /nfs/dbraw/zinc/69/14/25/552691425.db2.gz FHDCDPRKAZJLNG-JKSUJKDBSA-N 1 0 350.415 2.083 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292123083 552695976 /nfs/dbraw/zinc/69/59/76/552695976.db2.gz KJXCRKQLHXCEGS-INIZCTEOSA-N 1 0 352.822 2.214 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292140707 552697761 /nfs/dbraw/zinc/69/77/61/552697761.db2.gz YZPCOIZCCNWKPP-OAHLLOKOSA-N 1 0 373.862 2.273 20 5 FEBDRO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000292289579 552712654 /nfs/dbraw/zinc/71/26/54/552712654.db2.gz MCIRRRWDOHOVNJ-HNNXBMFYSA-N 1 0 372.469 2.290 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000501499626 561598943 /nfs/dbraw/zinc/59/89/43/561598943.db2.gz GIQZQCLZQXTPLD-LSDHHAIUSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293114362 552790208 /nfs/dbraw/zinc/79/02/08/552790208.db2.gz LVWWMVZSUHBDII-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293572776 552836681 /nfs/dbraw/zinc/83/66/81/552836681.db2.gz YDZFRCDEJBNVBH-LDYMZIIASA-N 1 0 372.194 2.320 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293700752 552848327 /nfs/dbraw/zinc/84/83/27/552848327.db2.gz IKNDHUQZEBQCNV-GFCCVEGCSA-N 1 0 355.460 2.261 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000294762286 552932253 /nfs/dbraw/zinc/93/22/53/552932253.db2.gz YGLOCBUFDKFUGQ-LBPRGKRZSA-N 1 0 351.378 2.443 20 5 FEBDRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000294774186 552933505 /nfs/dbraw/zinc/93/35/05/552933505.db2.gz KLMIBDUMBNRVEU-LSDHHAIUSA-N 1 0 355.394 2.384 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])nc2)CC1 ZINC000294896875 552942194 /nfs/dbraw/zinc/94/21/94/552942194.db2.gz JEAYQSZRUFWVBU-UHFFFAOYSA-N 1 0 363.462 2.386 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000295083403 552957400 /nfs/dbraw/zinc/95/74/00/552957400.db2.gz VVUPMEBPICNABZ-MRXNPFEDSA-N 1 0 368.865 2.250 20 5 FEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000295263167 552978209 /nfs/dbraw/zinc/97/82/09/552978209.db2.gz GGVYFSKDQNZFSY-LBPRGKRZSA-N 1 0 363.414 2.168 20 5 FEBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000295267372 552978723 /nfs/dbraw/zinc/97/87/23/552978723.db2.gz JGZBRRRQHSTJLS-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000295302309 552984341 /nfs/dbraw/zinc/98/43/41/552984341.db2.gz KGLDQYBKHAZBBG-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO Cn1ccnc1[C@H]1N(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1(C)C ZINC000296051971 553096449 /nfs/dbraw/zinc/09/64/49/553096449.db2.gz ZEXCPEBLSJIHAN-CQSZACIVSA-N 1 0 358.354 2.280 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000296129032 553109566 /nfs/dbraw/zinc/10/95/66/553109566.db2.gz FYZCNEPDIMVGOP-HNNXBMFYSA-N 1 0 370.837 2.279 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803015 553340524 /nfs/dbraw/zinc/34/05/24/553340524.db2.gz IAQUJGHAMXMJHF-JSGCOSHPSA-N 1 0 362.430 2.078 20 5 FEBDRO CN1CC[C@H]([NH+]2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)C1=O ZINC000601176758 553356525 /nfs/dbraw/zinc/35/65/25/553356525.db2.gz MLKBETBUYLRAMP-INIZCTEOSA-N 1 0 369.425 2.250 20 5 FEBDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298375654 553418031 /nfs/dbraw/zinc/41/80/31/553418031.db2.gz GIZUJPYTLWNPLG-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000298680619 553458104 /nfs/dbraw/zinc/45/81/04/553458104.db2.gz YZMSXDGKYQECOJ-KRWDZBQOSA-N 1 0 370.409 2.472 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000299729707 553608780 /nfs/dbraw/zinc/60/87/80/553608780.db2.gz WLSUFUIENZJADC-GXTWGEPZSA-N 1 0 351.403 2.167 20 5 FEBDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299729364 553608894 /nfs/dbraw/zinc/60/88/94/553608894.db2.gz WGWRDRQAMTVYBI-UKRRQHHQSA-N 1 0 363.414 2.047 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000301860254 553686437 /nfs/dbraw/zinc/68/64/37/553686437.db2.gz DIYOEPDQOYFEOA-LBPRGKRZSA-N 1 0 371.235 2.418 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301970341 553694997 /nfs/dbraw/zinc/69/49/97/553694997.db2.gz RHYLMJZLEDZGNK-KRWDZBQOSA-N 1 0 369.425 2.062 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301975626 553695749 /nfs/dbraw/zinc/69/57/49/553695749.db2.gz VWBPQGZKDMMORI-AWEZNQCLSA-N 1 0 352.822 2.167 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301997213 553697152 /nfs/dbraw/zinc/69/71/52/553697152.db2.gz PCEQLZGCNMBZOB-CQSZACIVSA-N 1 0 352.398 2.348 20 5 FEBDRO Cc1cc(NC[C@H]2CCCN2S(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302087090 553703727 /nfs/dbraw/zinc/70/37/27/553703727.db2.gz NSRFPZQUFMHZLX-CYBMUJFWSA-N 1 0 364.427 2.287 20 5 FEBDRO CC1=CC[N@H+](CCNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000302135553 553706130 /nfs/dbraw/zinc/70/61/30/553706130.db2.gz DPAYICUOBUJSJU-UHFFFAOYSA-N 1 0 374.441 2.131 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324160017 553771464 /nfs/dbraw/zinc/77/14/64/553771464.db2.gz CBDOBFSUTUGXCV-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO CCOC(=O)C1CCC(O)(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000327780640 553791579 /nfs/dbraw/zinc/79/15/79/553791579.db2.gz OVHCQTRLKWPHIB-UHFFFAOYSA-N 1 0 350.415 2.211 20 5 FEBDRO COC(=O)[C@H]1CC12CC[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000506208407 561693338 /nfs/dbraw/zinc/69/33/38/561693338.db2.gz RGHADSSZZQPBGV-OAHLLOKOSA-N 1 0 361.398 2.199 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421196 554119602 /nfs/dbraw/zinc/11/96/02/554119602.db2.gz QCMJWOMEOJELSS-ZIAGYGMSSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000331220123 554232990 /nfs/dbraw/zinc/23/29/90/554232990.db2.gz JAIKOEAESQLGLP-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331855623 554331847 /nfs/dbraw/zinc/33/18/47/554331847.db2.gz DQRKRJPPSRNILE-XJKSGUPXSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000331909676 554344386 /nfs/dbraw/zinc/34/43/86/554344386.db2.gz XUWLTXGUOAUULW-LBPRGKRZSA-N 1 0 366.393 2.356 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332534975 554465671 /nfs/dbraw/zinc/46/56/71/554465671.db2.gz SVWYVBBSSNFJEC-UHFFFAOYSA-N 1 0 366.393 2.310 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000332569062 554473720 /nfs/dbraw/zinc/47/37/20/554473720.db2.gz CITFZGXIRIWATG-GXTWGEPZSA-N 1 0 353.444 2.069 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000332573010 554474291 /nfs/dbraw/zinc/47/42/91/554474291.db2.gz CDOKMESVVIISDI-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589460 554477489 /nfs/dbraw/zinc/47/74/89/554477489.db2.gz MSORCXGCRCYEBT-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+](C)C ZINC000510546091 561838472 /nfs/dbraw/zinc/83/84/72/561838472.db2.gz IDQXUIMXSFCGJL-BLLLJJGKSA-N 1 0 357.414 2.302 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000510985806 561853038 /nfs/dbraw/zinc/85/30/38/561853038.db2.gz SVOLVZRHKPUYDN-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000510994524 561853351 /nfs/dbraw/zinc/85/33/51/561853351.db2.gz YCDSXJDUHSCGMB-UHFFFAOYSA-N 1 0 371.441 2.447 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nnnn1CC[NH+](C)C ZINC000511071669 561855797 /nfs/dbraw/zinc/85/57/97/561855797.db2.gz AIMYCGTVIFCCEE-UHFFFAOYSA-N 1 0 366.447 2.222 20 5 FEBDRO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1=CC[N@H+](C)CC1 ZINC000511343446 561866047 /nfs/dbraw/zinc/86/60/47/561866047.db2.gz LMJRMBOQKGOXLS-CYBMUJFWSA-N 1 0 355.398 2.161 20 5 FEBDRO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1N1CCOCC1 ZINC000361680775 554928417 /nfs/dbraw/zinc/92/84/17/554928417.db2.gz GQAYUKGHLKWLDK-BUSQMGNYSA-N 1 0 359.426 2.177 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076556 554947739 /nfs/dbraw/zinc/94/77/39/554947739.db2.gz HDQFUXSBBQVXOB-KBPBESRZSA-N 1 0 355.398 2.137 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362080671 554948535 /nfs/dbraw/zinc/94/85/35/554948535.db2.gz SZWXFCDVFWVRHJ-MAUKXSAKSA-N 1 0 362.474 2.061 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(CNC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000363072423 555023704 /nfs/dbraw/zinc/02/37/04/555023704.db2.gz MBZMMEYAZMFPAH-UHFFFAOYSA-N 1 0 371.441 2.128 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000363259320 555066139 /nfs/dbraw/zinc/06/61/39/555066139.db2.gz NBLBYRMDASOODF-BPUTZDHNSA-N 1 0 365.455 2.008 20 5 FEBDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263704 555067552 /nfs/dbraw/zinc/06/75/52/555067552.db2.gz AMKBXRQAQQJHTH-ISTRZQFTSA-N 1 0 369.425 2.094 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363678250 555162220 /nfs/dbraw/zinc/16/22/20/555162220.db2.gz KYMUJIZZJFMGCR-YQQAZPJKSA-N 1 0 358.442 2.340 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000363694605 555165903 /nfs/dbraw/zinc/16/59/03/555165903.db2.gz ARDRQVFQFJAZLX-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000363700494 555167245 /nfs/dbraw/zinc/16/72/45/555167245.db2.gz YYWVTCRBLFZEEP-INIZCTEOSA-N 1 0 357.414 2.330 20 5 FEBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000363703336 555167856 /nfs/dbraw/zinc/16/78/56/555167856.db2.gz UHRGQBRPZVVUGV-SCLBCKFNSA-N 1 0 372.381 2.420 20 5 FEBDRO COc1ccc(OCCN2CC[NH+]([C@@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000363921161 555214344 /nfs/dbraw/zinc/21/43/44/555214344.db2.gz LJSSPCSEYVFBTC-CQSZACIVSA-N 1 0 367.471 2.105 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1 ZINC000364195281 555267562 /nfs/dbraw/zinc/26/75/62/555267562.db2.gz MBKJHXVUZPPRHY-LSDHHAIUSA-N 1 0 358.373 2.099 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427818 555312375 /nfs/dbraw/zinc/31/23/75/555312375.db2.gz SAVGPPMHWONYPW-XPKDYRNWSA-N 1 0 365.405 2.353 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556829 555337612 /nfs/dbraw/zinc/33/76/12/555337612.db2.gz KQFYUJUJCZEKQU-IVMMDQJWSA-N 1 0 365.405 2.353 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)CC2 ZINC000364666233 555367910 /nfs/dbraw/zinc/36/79/10/555367910.db2.gz ZMBIIUZKBJEDIP-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000512618050 561910409 /nfs/dbraw/zinc/91/04/09/561910409.db2.gz HOAFJCDAZYHAAJ-XJKCOSOUSA-N 1 0 355.460 2.287 20 5 FEBDRO COC(=O)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000364765011 555396454 /nfs/dbraw/zinc/39/64/54/555396454.db2.gz RQYYACQTFXGJPE-NSHDSACASA-N 1 0 369.805 2.318 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892680 555428175 /nfs/dbraw/zinc/42/81/75/555428175.db2.gz GIBMUGXOHHVWKO-HNNXBMFYSA-N 1 0 374.441 2.181 20 5 FEBDRO COc1cc(C(=O)N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000364930925 555441735 /nfs/dbraw/zinc/44/17/35/555441735.db2.gz FZNJORMHDLOWNN-UHFFFAOYSA-N 1 0 371.340 2.125 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364934368 555442532 /nfs/dbraw/zinc/44/25/32/555442532.db2.gz OJXHNQPUTYRZEC-ZBFHGGJFSA-N 1 0 353.444 2.104 20 5 FEBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364956015 555449105 /nfs/dbraw/zinc/44/91/05/555449105.db2.gz RHZGOLNCTGTHSV-LLVKDONJSA-N 1 0 356.810 2.169 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365204505 555510339 /nfs/dbraw/zinc/51/03/39/555510339.db2.gz RPMIMOCNVRSPLY-JENIJYKNSA-N 1 0 373.384 2.329 20 5 FEBDRO CN(CCC[NH+]1CCCC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000513069035 561924062 /nfs/dbraw/zinc/92/40/62/561924062.db2.gz MSTIVNRQZREADF-UHFFFAOYSA-N 1 0 371.441 2.481 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365326608 555543069 /nfs/dbraw/zinc/54/30/69/555543069.db2.gz NKXUXVQJMVFGTJ-WMLDXEAASA-N 1 0 358.442 2.409 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000365542656 555603599 /nfs/dbraw/zinc/60/35/99/555603599.db2.gz ATAYXVVNSNCWPR-ZWNOBZJWSA-N 1 0 360.336 2.044 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365546350 555605064 /nfs/dbraw/zinc/60/50/64/555605064.db2.gz KZZKIEKOBFMIGS-SGIREYDYSA-N 1 0 355.398 2.027 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1 ZINC000365726297 555652302 /nfs/dbraw/zinc/65/23/02/555652302.db2.gz WWDIUMRAKXDCEE-UHFFFAOYSA-N 1 0 358.324 2.413 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365910962 555699037 /nfs/dbraw/zinc/69/90/37/555699037.db2.gz BQFRMTVYXPOWQM-HOTGVXAUSA-N 1 0 362.430 2.275 20 5 FEBDRO 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O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366837459 555947564 /nfs/dbraw/zinc/94/75/64/555947564.db2.gz GBLBMVZZPPNUAZ-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1n[nH]cc1C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000366942622 555977997 /nfs/dbraw/zinc/97/79/97/555977997.db2.gz FSMIRTSZWKEJLU-HNNXBMFYSA-N 1 0 360.414 2.246 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367296660 556010806 /nfs/dbraw/zinc/01/08/06/556010806.db2.gz RNCBJURLCUXUQN-MRXNPFEDSA-N 1 0 366.849 2.162 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@H]2c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000367334652 556021078 /nfs/dbraw/zinc/02/10/78/556021078.db2.gz PMVUSHDKPQLQGF-INIZCTEOSA-N 1 0 373.413 2.421 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000367446419 556051179 /nfs/dbraw/zinc/05/11/79/556051179.db2.gz DVXWYRRUEWYDSM-JKSUJKDBSA-N 1 0 364.402 2.236 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368267107 556263874 /nfs/dbraw/zinc/26/38/74/556263874.db2.gz NWTKIQSIWYEMJJ-AWEZNQCLSA-N 1 0 366.466 2.258 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000368615160 556363447 /nfs/dbraw/zinc/36/34/47/556363447.db2.gz RUXGASYMAHIHRE-GVDBMIGSSA-N 1 0 364.442 2.473 20 5 FEBDRO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664826 556378735 /nfs/dbraw/zinc/37/87/35/556378735.db2.gz YUEZPSIPGNXHGQ-GDBMZVCRSA-N 1 0 360.414 2.246 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000515422629 562010110 /nfs/dbraw/zinc/01/01/10/562010110.db2.gz BRUBKXKWZBECRL-DOMZBBRYSA-N 1 0 358.423 2.494 20 5 FEBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000369198650 556533512 /nfs/dbraw/zinc/53/35/12/556533512.db2.gz YCLRVGPSGFGZSU-MLGOLLRUSA-N 1 0 367.833 2.479 20 5 FEBDRO CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369530844 556622663 /nfs/dbraw/zinc/62/26/63/556622663.db2.gz ILVLYGHTMCLBDY-KZNAEPCWSA-N 1 0 350.415 2.288 20 5 FEBDRO C[C@@H](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000516313892 562039590 /nfs/dbraw/zinc/03/95/90/562039590.db2.gz ULRNEENECUHUQD-ZDUSSCGKSA-N 1 0 357.414 2.212 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369795613 556697480 /nfs/dbraw/zinc/69/74/80/556697480.db2.gz TVSZFPCLUYRBSU-XYJFISCASA-N 1 0 358.442 2.263 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369883065 556720898 /nfs/dbraw/zinc/72/08/98/556720898.db2.gz PGIIEORISYSRDO-CYBMUJFWSA-N 1 0 355.398 2.340 20 5 FEBDRO CCc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370000191 556753950 /nfs/dbraw/zinc/75/39/50/556753950.db2.gz XNODVKBIFYTTDS-INIZCTEOSA-N 1 0 374.485 2.257 20 5 FEBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147947 556794314 /nfs/dbraw/zinc/79/43/14/556794314.db2.gz HLTBPTDJCCXINX-WMLDXEAASA-N 1 0 373.457 2.194 20 5 FEBDRO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352410 556847673 /nfs/dbraw/zinc/84/76/73/556847673.db2.gz YSPKKLVLEFDESM-GJZGRUSLSA-N 1 0 360.414 2.246 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000370698588 556943498 /nfs/dbraw/zinc/94/34/98/556943498.db2.gz OHPOFFBCRSVOMI-CQSZACIVSA-N 1 0 361.402 2.128 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370707871 556945460 /nfs/dbraw/zinc/94/54/60/556945460.db2.gz OWDVKXVGCBXTEZ-UHFFFAOYSA-N 1 0 360.414 2.057 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370760751 556960803 /nfs/dbraw/zinc/96/08/03/556960803.db2.gz SWZALTFRQCMKNH-AFYXXPPBSA-N 1 0 359.426 2.225 20 5 FEBDRO CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000516950933 562066779 /nfs/dbraw/zinc/06/67/79/562066779.db2.gz BWSAZPXACRYPCL-SFHVURJKSA-N 1 0 356.426 2.370 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]2[C@H]1c1ccccc1 ZINC000371052487 557059257 /nfs/dbraw/zinc/05/92/57/557059257.db2.gz ILFAGLKDPXQEMM-XOKHGSTOSA-N 1 0 368.393 2.070 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371233708 557114781 /nfs/dbraw/zinc/11/47/81/557114781.db2.gz ZZAQUKCBPYAAJH-YOEHRIQHSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371243885 557117756 /nfs/dbraw/zinc/11/77/56/557117756.db2.gz LRKDOTRMCFOFOU-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000371254666 557120894 /nfs/dbraw/zinc/12/08/94/557120894.db2.gz YJUOJRBGJVGPAY-DZFIZOCASA-N 1 0 367.405 2.464 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cc1[N+](=O)[O-] ZINC000371281217 557129487 /nfs/dbraw/zinc/12/94/87/557129487.db2.gz BQGRBVJJKOFVMG-LPHOPBHVSA-N 1 0 363.458 2.435 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000371342324 557153358 /nfs/dbraw/zinc/15/33/58/557153358.db2.gz XASDUNZPFDRADX-UHFFFAOYSA-N 1 0 360.458 2.225 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371356062 557158334 /nfs/dbraw/zinc/15/83/34/557158334.db2.gz VAZNUKOUYODDQD-FEHORCSSSA-N 1 0 372.469 2.092 20 5 FEBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000371359447 557160370 /nfs/dbraw/zinc/16/03/70/557160370.db2.gz JOSJATRYUYWBKD-DOTOQJQBSA-N 1 0 360.458 2.001 20 5 FEBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371492063 557198709 /nfs/dbraw/zinc/19/87/09/557198709.db2.gz AKGDGIVLNZIJMU-DOTOQJQBSA-N 1 0 371.441 2.208 20 5 FEBDRO Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000517652625 562094728 /nfs/dbraw/zinc/09/47/28/562094728.db2.gz QYPOCSURXJQCMD-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000371534478 557213067 /nfs/dbraw/zinc/21/30/67/557213067.db2.gz FPBQQBSDEVKBQS-ZIFCJYIRSA-N 1 0 372.469 2.289 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@@H]3CCCOC3)CC2)c1 ZINC000371647929 557250104 /nfs/dbraw/zinc/25/01/04/557250104.db2.gz VETLBCQNIMYCEI-AEFFLSMTSA-N 1 0 364.442 2.473 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372313763 557437179 /nfs/dbraw/zinc/43/71/79/557437179.db2.gz RVAIOAKWVQVNDY-YOEHRIQHSA-N 1 0 361.446 2.085 20 5 FEBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372313760 557437190 /nfs/dbraw/zinc/43/71/90/557437190.db2.gz RVAIOAKWVQVNDY-PBHICJAKSA-N 1 0 361.446 2.085 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(C)C[NH+](Cc2ccccc2)C1 ZINC000372317664 557438122 /nfs/dbraw/zinc/43/81/22/557438122.db2.gz XPWVYIZQYIIMKG-UHFFFAOYSA-N 1 0 371.441 2.128 20 5 FEBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000372353598 557447974 /nfs/dbraw/zinc/44/79/74/557447974.db2.gz ANWPTHJVBCYKOH-DOTOQJQBSA-N 1 0 360.458 2.001 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1 ZINC000372544096 557498677 /nfs/dbraw/zinc/49/86/77/557498677.db2.gz JZABASGNSXKWGB-KGLIPLIRSA-N 1 0 371.441 2.064 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000372925982 557589570 /nfs/dbraw/zinc/58/95/70/557589570.db2.gz CMRPXGYYGDHIFQ-FIXIBIHLSA-N 1 0 355.797 2.253 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520312196 562153112 /nfs/dbraw/zinc/15/31/12/562153112.db2.gz PKJFYEFETDTYKA-INIZCTEOSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672499 557736084 /nfs/dbraw/zinc/73/60/84/557736084.db2.gz IEPDOFADDIGQBG-HUUCEWRRSA-N 1 0 362.430 2.008 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929126 557789442 /nfs/dbraw/zinc/78/94/42/557789442.db2.gz LPRXCZYLDDCZSM-UONOGXRCSA-N 1 0 355.398 2.137 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021713 557809197 /nfs/dbraw/zinc/80/91/97/557809197.db2.gz IMUGYAZPPXSNGL-BBRMVZONSA-N 1 0 355.398 2.137 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760725 562163078 /nfs/dbraw/zinc/16/30/78/562163078.db2.gz GMBOSFXVONHWAF-CHWSQXEVSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000374114869 557825841 /nfs/dbraw/zinc/82/58/41/557825841.db2.gz NZYWKRQCAIEOET-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000374296575 557860534 /nfs/dbraw/zinc/86/05/34/557860534.db2.gz PWDNJHURCAHVBJ-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550187 557898370 /nfs/dbraw/zinc/89/83/70/557898370.db2.gz HPRUKOJYYVAODU-CHWSQXEVSA-N 1 0 362.352 2.207 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871254 557944113 /nfs/dbraw/zinc/94/41/13/557944113.db2.gz CPUKKCLBBMETKG-KSSFIOAISA-N 1 0 360.458 2.378 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1OC ZINC000375017026 557964706 /nfs/dbraw/zinc/96/47/06/557964706.db2.gz GFHODUGVZIGKEZ-SWLSCSKDSA-N 1 0 363.414 2.168 20 5 FEBDRO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000375520158 558042374 /nfs/dbraw/zinc/04/23/74/558042374.db2.gz SGFSSHGURKVMCG-KRWDZBQOSA-N 1 0 361.423 2.136 20 5 FEBDRO O=C(CC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000375594877 558054247 /nfs/dbraw/zinc/05/42/47/558054247.db2.gz BZCGABJNVYNAGK-OAHLLOKOSA-N 1 0 374.441 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000375610160 558056750 /nfs/dbraw/zinc/05/67/50/558056750.db2.gz FEZDQDMGMUICTF-INIZCTEOSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375635380 558060378 /nfs/dbraw/zinc/06/03/78/558060378.db2.gz CHJASMKOZHZPPY-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO CC(C)c1ccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000375746176 558075931 /nfs/dbraw/zinc/07/59/31/558075931.db2.gz XGEIMDQRZDSTFU-UHFFFAOYSA-N 1 0 360.414 2.329 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375802185 558081591 /nfs/dbraw/zinc/08/15/91/558081591.db2.gz RBLLVMMQPCSIMP-UHFFFAOYSA-N 1 0 360.389 2.108 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000375931307 558101551 /nfs/dbraw/zinc/10/15/51/558101551.db2.gz KQCMJLOBDORJBN-KGLIPLIRSA-N 1 0 365.455 2.047 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000376055655 558120722 /nfs/dbraw/zinc/12/07/22/558120722.db2.gz JNRXZZZBTYSDKE-TZMCWYRMSA-N 1 0 353.444 2.202 20 5 FEBDRO Cc1nc(CN(C)[C@H]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC000376686255 558208387 /nfs/dbraw/zinc/20/83/87/558208387.db2.gz CXBNFPOOZJHSKZ-AWEZNQCLSA-N 1 0 360.418 2.481 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522650437 562200975 /nfs/dbraw/zinc/20/09/75/562200975.db2.gz MUVPRTBEWWKNNK-GFCCVEGCSA-N 1 0 353.806 2.370 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000378094211 558479224 /nfs/dbraw/zinc/47/92/24/558479224.db2.gz CNXVOYSQZJKZTK-CQSZACIVSA-N 1 0 366.487 2.205 20 5 FEBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000378472083 558565141 /nfs/dbraw/zinc/56/51/41/558565141.db2.gz HOMGSCFASDIHOB-XUWXXGDYSA-N 1 0 360.414 2.356 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000397303376 558624432 /nfs/dbraw/zinc/62/44/32/558624432.db2.gz GVVUNRHTIPXZSN-SRVKXCTJSA-N 1 0 351.403 2.057 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000523944788 562221901 /nfs/dbraw/zinc/22/19/01/562221901.db2.gz WBCHFQHDAORSPR-OKILXGFUSA-N 1 0 365.478 2.282 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408063816 558642831 /nfs/dbraw/zinc/64/28/31/558642831.db2.gz XCXVKLSFGRVBCR-KBPBESRZSA-N 1 0 373.862 2.462 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[N@@H+]1C ZINC000408067950 558643419 /nfs/dbraw/zinc/64/34/19/558643419.db2.gz GAOYLTUNQVPSRS-CABCVRRESA-N 1 0 360.458 2.362 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411132424 558842510 /nfs/dbraw/zinc/84/25/10/558842510.db2.gz JYXAQRUYBPOTKD-KGLIPLIRSA-N 1 0 362.430 2.221 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411401364 558888318 /nfs/dbraw/zinc/88/83/18/558888318.db2.gz XHYDFKMEGQXKRA-BLLLJJGKSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000411601525 558927100 /nfs/dbraw/zinc/92/71/00/558927100.db2.gz ANWBWWQSPNGFCT-RWMBFGLXSA-N 1 0 351.403 2.430 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000411666195 558939311 /nfs/dbraw/zinc/93/93/11/558939311.db2.gz MEKRABIHBRJDNR-KRWDZBQOSA-N 1 0 370.409 2.472 20 5 FEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776766 558960423 /nfs/dbraw/zinc/96/04/23/558960423.db2.gz XOHSFVWOSFBBEQ-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525819731 562256189 /nfs/dbraw/zinc/25/61/89/562256189.db2.gz RSHBBKAJMQYAIO-JTQLQIEISA-N 1 0 361.851 2.177 20 5 FEBDRO CO[C@@](C)([C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965812 558996499 /nfs/dbraw/zinc/99/64/99/558996499.db2.gz FZJWPHNXLYZNRD-LRDDRELGSA-N 1 0 356.444 2.162 20 5 FEBDRO NC(=O)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411976625 558998492 /nfs/dbraw/zinc/99/84/92/558998492.db2.gz ITXUAXCZJJDURS-JKSUJKDBSA-N 1 0 355.394 2.175 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412051132 559006835 /nfs/dbraw/zinc/00/68/35/559006835.db2.gz VVSAALOLMHRBEW-MJBXVCDLSA-N 1 0 363.414 2.025 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cccc1[N+](=O)[O-] ZINC000412086731 559011861 /nfs/dbraw/zinc/01/18/61/559011861.db2.gz RIDXRKCJXQLVFR-CQSZACIVSA-N 1 0 362.430 2.221 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289770 559025303 /nfs/dbraw/zinc/02/53/03/559025303.db2.gz NWFLNAHJRSIUOL-MDASCCDHSA-N 1 0 373.453 2.410 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413097074 559077616 /nfs/dbraw/zinc/07/76/16/559077616.db2.gz BYDSCUOMZZBYGF-ZIAGYGMSSA-N 1 0 351.426 2.124 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413135029 559081622 /nfs/dbraw/zinc/08/16/22/559081622.db2.gz LUSJGSCJQULUMI-QGZVFWFLSA-N 1 0 355.442 2.359 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC(CC[NH+](C)C)CC2)c1F ZINC000413456947 559109320 /nfs/dbraw/zinc/10/93/20/559109320.db2.gz PNVSDDJITWBJQR-UHFFFAOYSA-N 1 0 367.421 2.475 20 5 FEBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159992 559151289 /nfs/dbraw/zinc/15/12/89/559151289.db2.gz XIDMEYPSFWCPHW-QAPCUYQASA-N 1 0 364.442 2.472 20 5 FEBDRO COCC1CCC([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000414513978 559169742 /nfs/dbraw/zinc/16/97/42/559169742.db2.gz QNIVXYIDROTEDU-UHFFFAOYSA-N 1 0 366.414 2.441 20 5 FEBDRO COc1cc(CNCC(C)(C)[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414808844 559188874 /nfs/dbraw/zinc/18/88/74/559188874.db2.gz UKKGMPNMMCKFOT-UHFFFAOYSA-N 1 0 351.325 2.371 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606329 559254812 /nfs/dbraw/zinc/25/48/12/559254812.db2.gz YOGKRTPXJXXVHZ-MFKMUULPSA-N 1 0 364.402 2.138 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415632925 559256808 /nfs/dbraw/zinc/25/68/08/559256808.db2.gz PNXMILSMQJZHHU-CVEARBPZSA-N 1 0 366.393 2.484 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000415657082 559258894 /nfs/dbraw/zinc/25/88/94/559258894.db2.gz JPJMVHNEMNLHQP-RYUDHWBXSA-N 1 0 353.394 2.226 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415825539 559275660 /nfs/dbraw/zinc/27/56/60/559275660.db2.gz ACNRFCYZFZFTMK-INIZCTEOSA-N 1 0 370.409 2.438 20 5 FEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCc3ccccc3[N+](=O)[O-])cc2C1 ZINC000415970889 559286026 /nfs/dbraw/zinc/28/60/26/559286026.db2.gz ZZUMRVIRADIIEM-CQSZACIVSA-N 1 0 355.398 2.170 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000416429735 559312312 /nfs/dbraw/zinc/31/23/12/559312312.db2.gz ZXAFZEOBZYVKHJ-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416454727 559314141 /nfs/dbraw/zinc/31/41/41/559314141.db2.gz DZRIEQUNJKETDS-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1C ZINC000416500422 559318035 /nfs/dbraw/zinc/31/80/35/559318035.db2.gz HALGAFLRSBBGFP-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416658871 559328231 /nfs/dbraw/zinc/32/82/31/559328231.db2.gz GOZPLELWGWNUGE-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416884519 559336552 /nfs/dbraw/zinc/33/65/52/559336552.db2.gz KWGMRELLRNEEED-IUCAKERBSA-N 1 0 363.340 2.060 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417186404 559352002 /nfs/dbraw/zinc/35/20/02/559352002.db2.gz SWWHHRUZADQCRF-AWEZNQCLSA-N 1 0 362.430 2.135 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417990118 559385547 /nfs/dbraw/zinc/38/55/47/559385547.db2.gz MAJPXYXOVHIVKF-INIZCTEOSA-N 1 0 352.822 2.186 20 5 FEBDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418373343 559399364 /nfs/dbraw/zinc/39/93/64/559399364.db2.gz BOIOUKPXNQWNTF-INIZCTEOSA-N 1 0 350.419 2.131 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420007861 559468701 /nfs/dbraw/zinc/46/87/01/559468701.db2.gz CWKLLWYTJJIHHM-CQSZACIVSA-N 1 0 363.336 2.046 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000420278456 559478423 /nfs/dbraw/zinc/47/84/23/559478423.db2.gz NYRKUATWKPSEDD-HNNXBMFYSA-N 1 0 358.398 2.759 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370792 559483412 /nfs/dbraw/zinc/48/34/12/559483412.db2.gz CVTUISVOTKEZPZ-KSSFIOAISA-N 1 0 360.414 2.454 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420402329 559485871 /nfs/dbraw/zinc/48/58/71/559485871.db2.gz LZIUSHTVQKMVMP-GXTWGEPZSA-N 1 0 370.409 2.320 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420452113 559488141 /nfs/dbraw/zinc/48/81/41/559488141.db2.gz BZUJDDPBPYJVDJ-INIZCTEOSA-N 1 0 363.439 2.444 20 5 FEBDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921514 559511528 /nfs/dbraw/zinc/51/15/28/559511528.db2.gz DBHYXHPOKDZEEY-MSOLQXFVSA-N 1 0 362.405 2.389 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000421681743 559549231 /nfs/dbraw/zinc/54/92/31/559549231.db2.gz ZASZCFKBMHSKAE-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000421685743 559549392 /nfs/dbraw/zinc/54/93/92/559549392.db2.gz VHSHGXHPQKKIEN-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000421771562 559552743 /nfs/dbraw/zinc/55/27/43/559552743.db2.gz MFQAFHVEMJWBJO-UHFFFAOYSA-N 1 0 362.474 2.215 20 5 FEBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422731225 559604715 /nfs/dbraw/zinc/60/47/15/559604715.db2.gz NFLBLUWVBNOYTB-NSHDSACASA-N 1 0 357.360 2.441 20 5 FEBDRO [NH3+][C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CCC1 ZINC000422941925 559612295 /nfs/dbraw/zinc/61/22/95/559612295.db2.gz WAWAIYUSYJZZDM-ZDUSSCGKSA-N 1 0 360.336 2.269 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)CC1(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000422946263 559612416 /nfs/dbraw/zinc/61/24/16/559612416.db2.gz OOYSSSYLZAQCMN-AWEZNQCLSA-N 1 0 363.414 2.223 20 5 FEBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000423411995 559628230 /nfs/dbraw/zinc/62/82/30/559628230.db2.gz GRVNQUBJTOIZAT-GOEBONIOSA-N 1 0 361.446 2.300 20 5 FEBDRO COc1cc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc([N+](=O)[O-])c1C ZINC000423643575 559634881 /nfs/dbraw/zinc/63/48/81/559634881.db2.gz MJRIRUARRPLOKP-JTQLQIEISA-N 1 0 362.411 2.437 20 5 FEBDRO C[C@@]1(F)CNCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423693289 559636215 /nfs/dbraw/zinc/63/62/15/559636215.db2.gz RVIJCTYTPNWDOX-CYBMUJFWSA-N 1 0 360.183 2.131 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000424009348 559650651 /nfs/dbraw/zinc/65/06/51/559650651.db2.gz XXMMIGZGZZQUCJ-CVEARBPZSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000424029837 559651893 /nfs/dbraw/zinc/65/18/93/559651893.db2.gz ZQIUAVMIOCVZIR-UWVGGRQHSA-N 1 0 356.220 2.414 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000424204786 559657642 /nfs/dbraw/zinc/65/76/42/559657642.db2.gz MCXTZTSYTSFJLE-CQSZACIVSA-N 1 0 373.365 2.100 20 5 FEBDRO C[C@@H]1CC2(CN1C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CC[NH2+]CC2 ZINC000424221387 559658339 /nfs/dbraw/zinc/65/83/39/559658339.db2.gz BQILQLXRCPZCCF-CQSZACIVSA-N 1 0 369.425 2.385 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000425457055 559703209 /nfs/dbraw/zinc/70/32/09/559703209.db2.gz KPIHXDWFFAGAMV-ZDUSSCGKSA-N 1 0 359.220 2.234 20 5 FEBDRO COCC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000426530270 559737037 /nfs/dbraw/zinc/73/70/37/559737037.db2.gz OKAFVCYFFDRMNS-QGZVFWFLSA-N 1 0 360.414 2.233 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427582254 559758346 /nfs/dbraw/zinc/75/83/46/559758346.db2.gz FCPGXHSMXZCUPE-BXKDBHETSA-N 1 0 361.320 2.264 20 5 FEBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018053 559788805 /nfs/dbraw/zinc/78/88/05/559788805.db2.gz HJLRYJNQJDXQBA-RVKKMQEKSA-N 1 0 372.469 2.146 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429559152 559801530 /nfs/dbraw/zinc/80/15/30/559801530.db2.gz WGGRBRLVADQFRZ-ZDUSSCGKSA-N 1 0 362.430 2.160 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000430598376 559824137 /nfs/dbraw/zinc/82/41/37/559824137.db2.gz NYULSLLTTVPYMH-UHFFFAOYSA-N 1 0 362.430 2.006 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000430824399 559828814 /nfs/dbraw/zinc/82/88/14/559828814.db2.gz BCAPUNQBJNGMJZ-GJZGRUSLSA-N 1 0 351.451 2.117 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC1 ZINC000434019665 559892547 /nfs/dbraw/zinc/89/25/47/559892547.db2.gz AUPANLHLPHHXQC-UHFFFAOYSA-N 1 0 367.450 2.061 20 5 FEBDRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434493774 559901503 /nfs/dbraw/zinc/90/15/03/559901503.db2.gz VSGFUJHBCSPSBS-CYBMUJFWSA-N 1 0 364.475 2.047 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CCCC(=O)N2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435042568 559914870 /nfs/dbraw/zinc/91/48/70/559914870.db2.gz MXIQNHTTZIMQME-LLVKDONJSA-N 1 0 373.356 2.006 20 5 FEBDRO CCOc1ccc(NC(=O)CN(CC)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435628879 559926870 /nfs/dbraw/zinc/92/68/70/559926870.db2.gz WDIHSJWZESYRNS-AWEZNQCLSA-N 1 0 364.446 2.396 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000436183556 559937066 /nfs/dbraw/zinc/93/70/66/559937066.db2.gz AWFLIBQOHTZGDQ-HNNXBMFYSA-N 1 0 357.414 2.088 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000439475804 559995118 /nfs/dbraw/zinc/99/51/18/559995118.db2.gz FNARGMLZMCYZOH-SFHVURJKSA-N 1 0 366.414 2.395 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443653111 560089248 /nfs/dbraw/zinc/08/92/48/560089248.db2.gz LHSBLNBSYHKBLW-BETUJISGSA-N 1 0 353.394 2.353 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785871 560092906 /nfs/dbraw/zinc/09/29/06/560092906.db2.gz YHSFWSJBGQOOMR-KBPBESRZSA-N 1 0 355.460 2.277 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000443871225 560094965 /nfs/dbraw/zinc/09/49/65/560094965.db2.gz WFRDDHZQRDLYJY-MRXNPFEDSA-N 1 0 351.378 2.061 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446899658 560153182 /nfs/dbraw/zinc/15/31/82/560153182.db2.gz KDJZTWIQBYLYDP-RYUDHWBXSA-N 1 0 360.418 2.095 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCN(c3cccnn3)CC2)n1 ZINC000447599515 560165171 /nfs/dbraw/zinc/16/51/71/560165171.db2.gz KEBZTBAELQTYPJ-CVEARBPZSA-N 1 0 371.445 2.324 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448325851 560184948 /nfs/dbraw/zinc/18/49/48/560184948.db2.gz SZXNKDFAYPKLLG-OAHLLOKOSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@]12C[N@@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555951 560189774 /nfs/dbraw/zinc/18/97/74/560189774.db2.gz NSHANPLCDLUPSN-ILKHFPFNSA-N 1 0 367.405 2.371 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000449069944 560214790 /nfs/dbraw/zinc/21/47/90/560214790.db2.gz BDNFXWGNGDXOPJ-IUODEOHRSA-N 1 0 363.414 2.234 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080158 560215007 /nfs/dbraw/zinc/21/50/07/560215007.db2.gz SZWVLXAPXZNUEU-AWEZNQCLSA-N 1 0 369.487 2.320 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449261690 560222464 /nfs/dbraw/zinc/22/24/64/560222464.db2.gz DRIYKNINEJSYPP-NRXGSXMXSA-N 1 0 371.441 2.352 20 5 FEBDRO COc1cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508777 560232292 /nfs/dbraw/zinc/23/22/92/560232292.db2.gz NRFGAQKMLHKAQP-KBXCAEBGSA-N 1 0 350.415 2.499 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000449629432 560235072 /nfs/dbraw/zinc/23/50/72/560235072.db2.gz TZFQLUGFWRNAKG-SECBINFHSA-N 1 0 351.737 2.116 20 5 FEBDRO CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000449689582 560236972 /nfs/dbraw/zinc/23/69/72/560236972.db2.gz KFFKCBUUWVUMJX-HNNXBMFYSA-N 1 0 361.442 2.086 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710911 560237700 /nfs/dbraw/zinc/23/77/00/560237700.db2.gz CBFMYGIOFVFQEN-WCQYABFASA-N 1 0 353.444 2.080 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449931058 560245610 /nfs/dbraw/zinc/24/56/10/560245610.db2.gz XWALEBNSBCUYBF-DZGCQCFKSA-N 1 0 357.414 2.335 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449956783 560246334 /nfs/dbraw/zinc/24/63/34/560246334.db2.gz AXKDMDSGLSLUTB-QGZVFWFLSA-N 1 0 357.414 2.397 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450052198 560249266 /nfs/dbraw/zinc/24/92/66/560249266.db2.gz KSQAAVVPIQCBLU-CABCVRRESA-N 1 0 357.414 2.383 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@H+](C)CCCO)CC1 ZINC000450338238 560259110 /nfs/dbraw/zinc/25/91/10/560259110.db2.gz JTWSBTBTNSAZMA-UHFFFAOYSA-N 1 0 374.441 2.435 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450594307 560267412 /nfs/dbraw/zinc/26/74/12/560267412.db2.gz KFJITEXPXLTNRZ-LLVKDONJSA-N 1 0 359.224 2.011 20 5 FEBDRO CCc1cc(N2CC[N@H+](CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450960220 560280053 /nfs/dbraw/zinc/28/00/53/560280053.db2.gz ZVRDWLIRNKELFJ-AWEZNQCLSA-N 1 0 371.441 2.117 20 5 FEBDRO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+](C2CC2)C1 ZINC000451096388 560286900 /nfs/dbraw/zinc/28/69/00/560286900.db2.gz XCQAHMKTLUOXEE-AWEZNQCLSA-N 1 0 374.441 2.309 20 5 FEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260548 560296478 /nfs/dbraw/zinc/29/64/78/560296478.db2.gz UTXQOOXBQWTZMW-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475611 560309257 /nfs/dbraw/zinc/30/92/57/560309257.db2.gz CLWSAJFIXHVAFF-DLBZAZTESA-N 1 0 359.426 2.421 20 5 FEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000451651102 560319598 /nfs/dbraw/zinc/31/95/98/560319598.db2.gz MEUGBIXAEUUDFU-AWEZNQCLSA-N 1 0 355.460 2.384 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000451692761 560322322 /nfs/dbraw/zinc/32/23/22/560322322.db2.gz VKCCBRPNPQSKMJ-GFCCVEGCSA-N 1 0 370.456 2.470 20 5 FEBDRO CO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845656 560332087 /nfs/dbraw/zinc/33/20/87/560332087.db2.gz ITQOLMIEAJCNRA-XOKHGSTOSA-N 1 0 350.415 2.224 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)CCC[NH+](C)C ZINC000451881210 560334350 /nfs/dbraw/zinc/33/43/50/560334350.db2.gz ASCTUZFRBLRZGD-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452035016 560346948 /nfs/dbraw/zinc/34/69/48/560346948.db2.gz MZOJHKIHLFEFAH-UKRRQHHQSA-N 1 0 351.403 2.479 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452085293 560350261 /nfs/dbraw/zinc/35/02/61/560350261.db2.gz JXVQHWYSMAYZLE-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452382812 560362088 /nfs/dbraw/zinc/36/20/88/560362088.db2.gz NAXXHSPPNBBZDM-CYBMUJFWSA-N 1 0 367.471 2.283 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452786246 560373962 /nfs/dbraw/zinc/37/39/62/560373962.db2.gz XFHDFKSUEVCCRA-CYBMUJFWSA-N 1 0 355.822 2.133 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455993899 560503824 /nfs/dbraw/zinc/50/38/24/560503824.db2.gz LWXWEYSFSHPVFL-CYBMUJFWSA-N 1 0 357.414 2.282 20 5 FEBDRO Cc1c(C(=O)NC(C)(C)C[NH+]2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457035585 560545109 /nfs/dbraw/zinc/54/51/09/560545109.db2.gz PLPPNZXDXDGFSV-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO O=c1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)[nH]1 ZINC000459300438 560678465 /nfs/dbraw/zinc/67/84/65/560678465.db2.gz LQADAYXLDVUKIL-UHFFFAOYSA-N 1 0 355.398 2.290 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)Cn3ccnn3)s2)cc1 ZINC000459699641 560702997 /nfs/dbraw/zinc/70/29/97/560702997.db2.gz OPGHWSBZZLIIHJ-AWEZNQCLSA-N 1 0 359.411 2.066 20 5 FEBDRO COc1ccc([C@H](CO)C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000459760862 560706604 /nfs/dbraw/zinc/70/66/04/560706604.db2.gz URRZCARBUVOGPE-AWEZNQCLSA-N 1 0 362.382 2.183 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459759010 560706653 /nfs/dbraw/zinc/70/66/53/560706653.db2.gz LQZTVLDDISSALK-IUIKQTSFSA-N 1 0 363.414 2.478 20 5 FEBDRO COCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000464708747 560848893 /nfs/dbraw/zinc/84/88/93/560848893.db2.gz IUARAYPCWZTIIZ-UHFFFAOYSA-N 1 0 367.421 2.236 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000468901270 560941786 /nfs/dbraw/zinc/94/17/86/560941786.db2.gz IACZBEVZAUSMFF-XETPBLJFSA-N 1 0 357.414 2.341 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469274423 560951506 /nfs/dbraw/zinc/95/15/06/560951506.db2.gz SICMMXOFFGUQAF-CQSZACIVSA-N 1 0 374.441 2.384 20 5 FEBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105887 560974515 /nfs/dbraw/zinc/97/45/15/560974515.db2.gz RIYNAVJCNBKPJI-UONOGXRCSA-N 1 0 367.421 2.455 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000470178060 560976109 /nfs/dbraw/zinc/97/61/09/560976109.db2.gz WLJKSQWIUDQFTN-XGCMIMOYSA-N 1 0 372.425 2.308 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000470683713 560987471 /nfs/dbraw/zinc/98/74/71/560987471.db2.gz CJDMQBPIZMLUSA-UHFFFAOYSA-N 1 0 365.430 2.099 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000473295485 561046872 /nfs/dbraw/zinc/04/68/72/561046872.db2.gz XSZFZGGSXWDZLF-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932592 561061031 /nfs/dbraw/zinc/06/10/31/561061031.db2.gz MDNLUDOPHMUSOC-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000474006551 561063479 /nfs/dbraw/zinc/06/34/79/561063479.db2.gz FNLNAONPDKIMBB-YOEHRIQHSA-N 1 0 366.414 2.440 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000474344007 561071735 /nfs/dbraw/zinc/07/17/35/561071735.db2.gz ZHKZTBZEYWSJAK-UHFFFAOYSA-N 1 0 366.414 2.441 20 5 FEBDRO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000475568747 561100066 /nfs/dbraw/zinc/10/00/66/561100066.db2.gz FNEGPJQXVQFXPK-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475584456 561100401 /nfs/dbraw/zinc/10/04/01/561100401.db2.gz YUZJHJWDHAKVKN-CQSZACIVSA-N 1 0 350.419 2.444 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000475692788 561102446 /nfs/dbraw/zinc/10/24/46/561102446.db2.gz BFFYJNVRFJQQGT-AWEZNQCLSA-N 1 0 352.387 2.005 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000477006946 561134198 /nfs/dbraw/zinc/13/41/98/561134198.db2.gz BACXNSBDZKPGOM-IAQYHMDHSA-N 1 0 363.443 2.203 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530916995 562428619 /nfs/dbraw/zinc/42/86/19/562428619.db2.gz VZGOBSMPTIIFSU-HIFRSBDPSA-N 1 0 350.419 2.146 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000531913415 562461161 /nfs/dbraw/zinc/46/11/61/562461161.db2.gz UAHAPQWYWKKKJH-UHFFFAOYSA-N 1 0 372.429 2.111 20 5 FEBDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000533186653 562500893 /nfs/dbraw/zinc/50/08/93/562500893.db2.gz ICPKFBITCGCWOB-UHFFFAOYSA-N 1 0 374.353 2.123 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866799 562520195 /nfs/dbraw/zinc/52/01/95/562520195.db2.gz MSQAWPIIPKYAJG-CYBMUJFWSA-N 1 0 373.413 2.155 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1=O ZINC000534491065 562534990 /nfs/dbraw/zinc/53/49/90/562534990.db2.gz DHHQSZNNSDPLSX-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000534520328 562535761 /nfs/dbraw/zinc/53/57/61/562535761.db2.gz UUHOPQGXYYACCW-MRXNPFEDSA-N 1 0 363.439 2.046 20 5 FEBDRO COCCO[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000535578113 562561934 /nfs/dbraw/zinc/56/19/34/562561934.db2.gz AXIBSOMVDXHLHK-HNNXBMFYSA-N 1 0 354.403 2.110 20 5 FEBDRO CS[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000536470850 562576296 /nfs/dbraw/zinc/57/62/96/562576296.db2.gz DQIXEXFTKGFGBE-CVEARBPZSA-N 1 0 366.487 2.209 20 5 FEBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602784 562616203 /nfs/dbraw/zinc/61/62/03/562616203.db2.gz XBYMZSJXFCCGET-NVXWUHKLSA-N 1 0 362.430 2.426 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1(SC)CC[NH+](C)CC1 ZINC000568457893 568040017 /nfs/dbraw/zinc/04/00/17/568040017.db2.gz NILAWBAJZYPFQP-UHFFFAOYSA-N 1 0 352.460 2.194 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000568769059 568196240 /nfs/dbraw/zinc/19/62/40/568196240.db2.gz AZYVCXKKHWPIIJ-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1C ZINC000568975387 568259991 /nfs/dbraw/zinc/25/99/91/568259991.db2.gz DSDGWJREPBVDBR-INIZCTEOSA-N 1 0 360.410 2.484 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000569340480 568395342 /nfs/dbraw/zinc/39/53/42/568395342.db2.gz NBWVKUVQWBMSCE-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO CC[NH+]1CCC(Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000736569731 599259707 /nfs/dbraw/zinc/25/97/07/599259707.db2.gz INJSRDAZCJXJOE-UHFFFAOYSA-N 1 0 368.401 2.219 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000557079832 674435251 /nfs/dbraw/zinc/43/52/51/674435251.db2.gz KHWJUKSOLPYGQI-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC000821581399 606697884 /nfs/dbraw/zinc/69/78/84/606697884.db2.gz KGJAIMYCZJBPKQ-ZDUSSCGKSA-N 1 0 360.422 2.092 20 5 FEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000823621169 607163394 /nfs/dbraw/zinc/16/33/94/607163394.db2.gz XSGHMKQIPCHKEI-LBPRGKRZSA-N 1 0 370.373 2.012 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C[NH+](C)C ZINC000813730230 674774935 /nfs/dbraw/zinc/77/49/35/674774935.db2.gz MHBDQUADWSDSPU-MRVPVSSYSA-N 1 0 370.258 2.378 20 5 FEBDRO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127973 674848393 /nfs/dbraw/zinc/84/83/93/674848393.db2.gz YLGRELJIGFTDDE-SFYZADRCSA-N 1 0 355.338 2.018 20 5 FEBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000563859240 674947208 /nfs/dbraw/zinc/94/72/08/674947208.db2.gz XQQVUZPHCYVDBL-LBPRGKRZSA-N 1 0 361.320 2.406 20 5 FEBDRO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814599 675015600 /nfs/dbraw/zinc/01/56/00/675015600.db2.gz UZRXAOBFRIZUTM-YALNPMBYSA-N 1 0 363.845 2.204 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000065978381 670435978 /nfs/dbraw/zinc/43/59/78/670435978.db2.gz NOYUIUONDGUXOJ-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452247 675122522 /nfs/dbraw/zinc/12/25/22/675122522.db2.gz ZRPDHFHQARHJOX-BYCMXARLSA-N 1 0 356.444 2.018 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000572132200 670965431 /nfs/dbraw/zinc/96/54/31/670965431.db2.gz IODILJCTUAVQNK-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000566134640 675184999 /nfs/dbraw/zinc/18/49/99/675184999.db2.gz IAPDNOHSMZWIMX-UHFFFAOYSA-N 1 0 350.404 2.183 20 5 FEBDRO CC(C)N(CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000574939085 671287508 /nfs/dbraw/zinc/28/75/08/671287508.db2.gz AKXFEHXAXREICY-UHFFFAOYSA-N 1 0 357.476 2.077 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000576070543 671341912 /nfs/dbraw/zinc/34/19/12/671341912.db2.gz WJKXEEGREKTVCA-TXEJJXNPSA-N 1 0 351.403 2.167 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000576540454 671375977 /nfs/dbraw/zinc/37/59/77/671375977.db2.gz BBWUCIFMBJDDFT-JSGCOSHPSA-N 1 0 352.391 2.118 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576580863 671379146 /nfs/dbraw/zinc/37/91/46/671379146.db2.gz KACTWEMMENLOTJ-XHSDSOJGSA-N 1 0 350.415 2.226 20 5 FEBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000608812977 675904681 /nfs/dbraw/zinc/90/46/81/675904681.db2.gz UMNODSHTBHTFJY-UHFFFAOYSA-N 1 0 351.451 2.249 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000579106214 671712538 /nfs/dbraw/zinc/71/25/38/671712538.db2.gz PGYNSDXJBRUEKG-UONOGXRCSA-N 1 0 355.460 2.308 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000579946032 671772228 /nfs/dbraw/zinc/77/22/28/671772228.db2.gz MERNYOQMHGYHOS-DGCLKSJQSA-N 1 0 351.403 2.249 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000580541740 671816544 /nfs/dbraw/zinc/81/65/44/671816544.db2.gz YUMSWQVJSUNVES-VXGBXAGGSA-N 1 0 351.432 2.027 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000580984465 671852953 /nfs/dbraw/zinc/85/29/53/671852953.db2.gz AHURJHXFSDKZME-LBPRGKRZSA-N 1 0 358.464 2.035 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000610133758 675955834 /nfs/dbraw/zinc/95/58/34/675955834.db2.gz TWURPKONSDLKTE-CHWSQXEVSA-N 1 0 350.419 2.476 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134982 675956397 /nfs/dbraw/zinc/95/63/97/675956397.db2.gz ICEHETOULDFPGK-KGLIPLIRSA-N 1 0 355.460 2.397 20 5 FEBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582300003 671987658 /nfs/dbraw/zinc/98/76/58/671987658.db2.gz UZVZNIIERVZOMW-QWHCGFSZSA-N 1 0 350.419 2.273 20 5 FEBDRO C[NH+](C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CCCCC1 ZINC000610275549 675964276 /nfs/dbraw/zinc/96/42/76/675964276.db2.gz ZHPWOTTYZGHAMP-OAHLLOKOSA-N 1 0 370.475 2.165 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nc3cc(Cl)ccc3s2)c1 ZINC000610335991 675967142 /nfs/dbraw/zinc/96/71/42/675967142.db2.gz BZZATPPFDJSKES-NSHDSACASA-N 1 0 367.818 2.205 20 5 FEBDRO C[NH+](C)CCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000582574423 672014230 /nfs/dbraw/zinc/01/42/30/672014230.db2.gz FWQTXLYVUOUXAK-UHFFFAOYSA-N 1 0 363.199 2.241 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000582845664 672039491 /nfs/dbraw/zinc/03/94/91/672039491.db2.gz GPSJXANNMPHORU-CYZMBNFOSA-N 1 0 352.822 2.246 20 5 FEBDRO COCC[N@H+]1[C@H](C)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000128840865 672053493 /nfs/dbraw/zinc/05/34/93/672053493.db2.gz ZSZUXMFIGJJFKK-IYBDPMFKSA-N 1 0 351.447 2.405 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000132384917 672097636 /nfs/dbraw/zinc/09/76/36/672097636.db2.gz PFLWKJCEKHGNNN-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866933 672133529 /nfs/dbraw/zinc/13/35/29/672133529.db2.gz LYNSBTNAAPIQCJ-UXLLHSPISA-N 1 0 351.447 2.187 20 5 FEBDRO Cc1csc([C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000584586474 672202374 /nfs/dbraw/zinc/20/23/74/672202374.db2.gz BJDJLOZYZPONQS-WCQYABFASA-N 1 0 351.428 2.493 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1F ZINC000154234420 672212970 /nfs/dbraw/zinc/21/29/70/672212970.db2.gz ONDVNPLPMVMWES-UHFFFAOYSA-N 1 0 361.439 2.439 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000159095176 672277529 /nfs/dbraw/zinc/27/75/29/672277529.db2.gz SSCKADSLGROWKW-VIFPVBQESA-N 1 0 354.204 2.324 20 5 FEBDRO CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2c[nH+]ccc21 ZINC000176974841 672378722 /nfs/dbraw/zinc/37/87/22/672378722.db2.gz GDGBSLFZFGNJTF-UHFFFAOYSA-N 1 0 368.802 2.288 20 5 FEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)CO ZINC000589254086 672516932 /nfs/dbraw/zinc/51/69/32/672516932.db2.gz BGRYBEHKZWIELJ-UHFFFAOYSA-N 1 0 364.183 2.402 20 5 FEBDRO CN(CC[NH+](C)C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589518535 672530136 /nfs/dbraw/zinc/53/01/36/672530136.db2.gz SSKAFKOIDZXENR-UHFFFAOYSA-N 1 0 363.199 2.193 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590046968 672556421 /nfs/dbraw/zinc/55/64/21/672556421.db2.gz QEUYGKLGAQXGHI-HZMBPMFUSA-N 1 0 368.231 2.442 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000590335703 672573682 /nfs/dbraw/zinc/57/36/82/672573682.db2.gz WHMJPXIXRCRIOC-UHFFFAOYSA-N 1 0 358.423 2.496 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000590402558 672579254 /nfs/dbraw/zinc/57/92/54/672579254.db2.gz FFIFPZWTRINXNZ-YPMHNXCESA-N 1 0 351.403 2.167 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590441779 672582849 /nfs/dbraw/zinc/58/28/49/672582849.db2.gz DWTBQEMPEBTJDY-SMDDNHRTSA-N 1 0 353.806 2.180 20 5 FEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000590554810 672589227 /nfs/dbraw/zinc/58/92/27/672589227.db2.gz FTFXZPLPFIXFOZ-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1OC ZINC000590567164 672590435 /nfs/dbraw/zinc/59/04/35/672590435.db2.gz ZEZFZGKVEYBJTC-WCQYABFASA-N 1 0 351.403 2.167 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000591279329 672664573 /nfs/dbraw/zinc/66/45/73/672664573.db2.gz CAHUJDUFTYXJLG-WPRPVWTQSA-N 1 0 362.308 2.360 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000591297628 672666801 /nfs/dbraw/zinc/66/68/01/672666801.db2.gz NJDCWGIMEXLERK-PRHODGIISA-N 1 0 362.308 2.194 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000591770312 672709825 /nfs/dbraw/zinc/70/98/25/672709825.db2.gz RRWVPVSWNZQKJH-GDBMZVCRSA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000591770483 672709832 /nfs/dbraw/zinc/70/98/32/672709832.db2.gz MNBLUIHNFXUPRP-HRDQMINSSA-N 1 0 360.357 2.475 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592375395 672793848 /nfs/dbraw/zinc/79/38/48/672793848.db2.gz RNVXILXSJOQVOD-GDBMZVCRSA-N 1 0 367.471 2.310 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592387410 672796278 /nfs/dbraw/zinc/79/62/78/672796278.db2.gz ZITVPOKWMYKAAW-SNVBAGLBSA-N 1 0 367.349 2.034 20 5 FEBDRO C[C@@H](CSc1ccccc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045599 672867404 /nfs/dbraw/zinc/86/74/04/672867404.db2.gz JIOXKCXNRXUUAT-ZFWWWQNUSA-N 1 0 350.444 2.265 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593722177 672983213 /nfs/dbraw/zinc/98/32/13/672983213.db2.gz IEENETGIWLZOMN-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])c1[N+](=O)[O-] ZINC000593731196 672984351 /nfs/dbraw/zinc/98/43/51/672984351.db2.gz BCQMBPHXEQBGDU-SMDDNHRTSA-N 1 0 355.460 2.350 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000594103250 673031577 /nfs/dbraw/zinc/03/15/77/673031577.db2.gz WXQMDWWBFZZVMI-WVSHTKLVSA-N 1 0 356.220 2.427 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000725825296 673092949 /nfs/dbraw/zinc/09/29/49/673092949.db2.gz WVRPYTBXBHDUNH-RYUDHWBXSA-N 1 0 359.835 2.153 20 5 FEBDRO CC(C)Oc1nc(NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594577451 673101224 /nfs/dbraw/zinc/10/12/24/673101224.db2.gz ZZBMNBVLTPPPAL-AWEZNQCLSA-N 1 0 352.435 2.690 20 5 FEBDRO COCc1csc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000594733082 673125679 /nfs/dbraw/zinc/12/56/79/673125679.db2.gz QVZAMWMAPMDOSQ-ZDUSSCGKSA-N 1 0 352.412 2.332 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594792486 673144556 /nfs/dbraw/zinc/14/45/56/673144556.db2.gz RIEWCMUPTNOLEH-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594793104 673144894 /nfs/dbraw/zinc/14/48/94/673144894.db2.gz UYNBYWHFDYYPQE-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)cc1[N+](=O)[O-] ZINC000595108251 673194249 /nfs/dbraw/zinc/19/42/49/673194249.db2.gz LTSIBWIAEDYGDS-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120260 673197285 /nfs/dbraw/zinc/19/72/85/673197285.db2.gz HTPWQNWLOFSNBZ-ZDUSSCGKSA-N 1 0 353.444 2.110 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595409659 673245451 /nfs/dbraw/zinc/24/54/51/673245451.db2.gz FMNNHMUDPJJDHB-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595597730 673271586 /nfs/dbraw/zinc/27/15/86/673271586.db2.gz TVDYLKZNYGZJLH-KRWDZBQOSA-N 1 0 350.415 2.131 20 5 FEBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779963 673324446 /nfs/dbraw/zinc/32/44/46/673324446.db2.gz HBEGXAJSWHZFBL-CUOATXAZSA-N 1 0 353.806 2.468 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCCC[NH+]1CCCC1 ZINC000731918785 673348006 /nfs/dbraw/zinc/34/80/06/673348006.db2.gz LLAGEHUSSHFZAZ-UHFFFAOYSA-N 1 0 363.386 2.489 20 5 FEBDRO C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000732034443 673351169 /nfs/dbraw/zinc/35/11/69/673351169.db2.gz FWNBDYALJYIWSH-SECBINFHSA-N 1 0 363.386 2.486 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250440 673371877 /nfs/dbraw/zinc/37/18/77/673371877.db2.gz PBVZEYPVWSPVFV-LLVKDONJSA-N 1 0 371.821 2.294 20 5 FEBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596476330 673388515 /nfs/dbraw/zinc/38/85/15/673388515.db2.gz CRZOAIWDQJQALS-GFCCVEGCSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000596837614 673418574 /nfs/dbraw/zinc/41/85/74/673418574.db2.gz HHXSWTQMEMLBJI-UHFFFAOYSA-N 1 0 351.451 2.217 20 5 FEBDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539070323 673472404 /nfs/dbraw/zinc/47/24/04/673472404.db2.gz FDXQFUHJMUWJAP-CVEARBPZSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000597941492 673521750 /nfs/dbraw/zinc/52/17/50/673521750.db2.gz BCYNGVPVRMQGGV-LSDHHAIUSA-N 1 0 350.463 2.087 20 5 FEBDRO COc1cc(C(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000598000956 673528938 /nfs/dbraw/zinc/52/89/38/673528938.db2.gz WFMKDCGHWZPYMI-VIFPVBQESA-N 1 0 361.345 2.275 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000598540308 673580442 /nfs/dbraw/zinc/58/04/42/673580442.db2.gz CUJQPSCAIGFBIM-CYBMUJFWSA-N 1 0 355.822 2.431 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000598572004 673584949 /nfs/dbraw/zinc/58/49/49/673584949.db2.gz JRCRWOPQIMXINL-AWEZNQCLSA-N 1 0 370.247 2.356 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000598615029 673590807 /nfs/dbraw/zinc/59/08/07/673590807.db2.gz QDLBFDSUXMPGJL-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598720154 673603149 /nfs/dbraw/zinc/60/31/49/673603149.db2.gz KSGDUTNGEWRFRL-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000740894707 673659680 /nfs/dbraw/zinc/65/96/80/673659680.db2.gz VSHLHQCEXPCIAZ-NEPJUHHUSA-N 1 0 359.423 2.227 20 5 FEBDRO COc1cc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000599542844 673689828 /nfs/dbraw/zinc/68/98/28/673689828.db2.gz FHLUVSVJJUGGBX-HNNXBMFYSA-N 1 0 350.415 2.357 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)n1 ZINC000599544972 673690072 /nfs/dbraw/zinc/69/00/72/673690072.db2.gz ONFZVUFLZBTWJU-BXUZGUMPSA-N 1 0 356.304 2.316 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000599544274 673690086 /nfs/dbraw/zinc/69/00/86/673690086.db2.gz YTVILXIFKPALNU-INIZCTEOSA-N 1 0 350.415 2.227 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625764 673698814 /nfs/dbraw/zinc/69/88/14/673698814.db2.gz OKGHCQPSVXIONE-RPHNGCRZSA-N 1 0 351.403 2.332 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626440 673699181 /nfs/dbraw/zinc/69/91/81/673699181.db2.gz VXMIPFQHEVHHDI-RHPZDQPFSA-N 1 0 351.403 2.334 20 5 FEBDRO C[C@@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544380126 673708833 /nfs/dbraw/zinc/70/88/33/673708833.db2.gz WUUJCBJBDFATDN-JTQLQIEISA-N 1 0 369.365 2.194 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000614445763 676175411 /nfs/dbraw/zinc/17/54/11/676175411.db2.gz SXGOMDLBLPYMIU-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CCCS1 ZINC000600164976 673745386 /nfs/dbraw/zinc/74/53/86/673745386.db2.gz MPZIGAKFPSBWJY-OAHLLOKOSA-N 1 0 373.500 2.091 20 5 FEBDRO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCS1(=O)=O ZINC000600210233 673749409 /nfs/dbraw/zinc/74/94/09/673749409.db2.gz QVBFGPMSTRVJEV-CLWVCHIJSA-N 1 0 352.456 2.471 20 5 FEBDRO C[C@H]1C[N@H+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCCO1 ZINC000601155911 673829576 /nfs/dbraw/zinc/82/95/76/673829576.db2.gz OIKPZWSVTWRCDT-JTQLQIEISA-N 1 0 365.356 2.260 20 5 FEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000601321643 673842570 /nfs/dbraw/zinc/84/25/70/673842570.db2.gz QWAXOEJXEXZNEO-CYBMUJFWSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C(CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601335905 673844243 /nfs/dbraw/zinc/84/42/43/673844243.db2.gz ZUMGCNXKQZKRDU-RISCZKNCSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])s1 ZINC000601341493 673845207 /nfs/dbraw/zinc/84/52/07/673845207.db2.gz CYMKZHIBVJQCHK-RYUDHWBXSA-N 1 0 359.473 2.260 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000746053465 673862364 /nfs/dbraw/zinc/86/23/64/673862364.db2.gz LDBRYYBLEKOVGF-ZDUSSCGKSA-N 1 0 371.434 2.086 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602434723 673906126 /nfs/dbraw/zinc/90/61/26/673906126.db2.gz OSFNTPGZTDMBBD-ZJUUUORDSA-N 1 0 354.204 2.324 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000602491464 673906886 /nfs/dbraw/zinc/90/68/86/673906886.db2.gz HMXFUSUFFOMRQR-ONGXEEELSA-N 1 0 354.204 2.181 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000602529556 673907348 /nfs/dbraw/zinc/90/73/48/673907348.db2.gz GGFVPQSCJDUIBX-CQSZACIVSA-N 1 0 353.806 2.418 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000602541487 673907601 /nfs/dbraw/zinc/90/76/01/673907601.db2.gz PKJAUZOUZCCBJS-STQMWFEESA-N 1 0 359.348 2.431 20 5 FEBDRO C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC000602551763 673907974 /nfs/dbraw/zinc/90/79/74/673907974.db2.gz DYTFVXBRFPTLNA-ONGXEEELSA-N 1 0 356.220 2.157 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CCN(C)CC(=O)Nc1cccc(Cl)c1 ZINC000602768901 673910619 /nfs/dbraw/zinc/91/06/19/673910619.db2.gz WVCGRUXFPXFGDW-UHFFFAOYSA-N 1 0 351.794 2.324 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602846450 673911754 /nfs/dbraw/zinc/91/17/54/673911754.db2.gz OPTVDZMCGRLPIB-JSGCOSHPSA-N 1 0 352.435 2.399 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926737 673913913 /nfs/dbraw/zinc/91/39/13/673913913.db2.gz WUTJTRBSDQFMKS-CYBMUJFWSA-N 1 0 358.320 2.442 20 5 FEBDRO CCC1([NH+](C)C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602966804 673914941 /nfs/dbraw/zinc/91/49/41/673914941.db2.gz RMIMSEAGXGPPIP-HNNXBMFYSA-N 1 0 351.447 2.141 20 5 FEBDRO C[C@@](CO)([NH2+]CCOCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000602962905 673914988 /nfs/dbraw/zinc/91/49/88/673914988.db2.gz QEIULJOSWCDARJ-ZDUSSCGKSA-N 1 0 354.300 2.309 20 5 FEBDRO C[NH+](C)CCc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603239835 673919790 /nfs/dbraw/zinc/91/97/90/673919790.db2.gz LPIRRLVHYLGFCQ-UHFFFAOYSA-N 1 0 354.208 2.101 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000820556629 675369972 /nfs/dbraw/zinc/36/99/72/675369972.db2.gz CBYDKUMXDYBMBH-KWQFWETISA-N 1 0 371.235 2.104 20 5 FEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822931083 675517247 /nfs/dbraw/zinc/51/72/47/675517247.db2.gz KAHDUAYQDCABBR-STQMWFEESA-N 1 0 369.849 2.094 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825644194 675662037 /nfs/dbraw/zinc/66/20/37/675662037.db2.gz XRDAGTDIALJUQE-NWDGAFQWSA-N 1 0 353.806 2.150 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000825863572 675671650 /nfs/dbraw/zinc/67/16/50/675671650.db2.gz SQHPXLOAQMFLRR-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000826696736 675700646 /nfs/dbraw/zinc/70/06/46/675700646.db2.gz ZHCQCBNXSKYMOL-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000603640473 675800267 /nfs/dbraw/zinc/80/02/67/675800267.db2.gz GIVICHSIPYKUAU-UONOGXRCSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1C ZINC000603659063 675800666 /nfs/dbraw/zinc/80/06/66/675800666.db2.gz WMSSQENOEPVSNI-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)CCC[NH+](C)C ZINC000828519352 675827423 /nfs/dbraw/zinc/82/74/23/675827423.db2.gz NCWBUBFVTPBVQV-UHFFFAOYSA-N 1 0 356.810 2.230 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)CC1 ZINC000829796358 675891533 /nfs/dbraw/zinc/89/15/33/675891533.db2.gz YZSPEFCQICXILR-UHFFFAOYSA-N 1 0 357.357 2.022 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000617239739 676276519 /nfs/dbraw/zinc/27/65/19/676276519.db2.gz ACCHJZNEZDABPG-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000760898389 680704460 /nfs/dbraw/zinc/70/44/60/680704460.db2.gz KOQHXJQAHLLWED-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839519630 680758821 /nfs/dbraw/zinc/75/88/21/680758821.db2.gz OHABWHPAIVSGQM-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839529408 680759580 /nfs/dbraw/zinc/75/95/80/680759580.db2.gz GPFHOJVZZXXBBQ-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)C1CC1 ZINC000840878446 680848749 /nfs/dbraw/zinc/84/87/49/680848749.db2.gz IBUZZNZYRYQWGF-XJKSGUPXSA-N 1 0 352.456 2.473 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217667 679948807 /nfs/dbraw/zinc/94/88/07/679948807.db2.gz FWSXMKLROQKCDW-QEORTHHSSA-N 1 0 367.833 2.397 20 5 FEBDRO CC[NH+](CC)CCOCCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000832136781 680100051 /nfs/dbraw/zinc/10/00/51/680100051.db2.gz CHAYQQWLCUEIOT-UHFFFAOYSA-N 1 0 359.373 2.270 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2c(Cl)oc3ccccc32)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063715 680193440 /nfs/dbraw/zinc/19/34/40/680193440.db2.gz IQHFBBHAJJHJTK-IQOUGMIPSA-N 1 0 363.801 2.488 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(C(F)F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655819 680318649 /nfs/dbraw/zinc/31/86/49/680318649.db2.gz WCEMYWIOUJMKOP-NMFUWQPSSA-N 1 0 353.369 2.274 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643087 680436592 /nfs/dbraw/zinc/43/65/92/680436592.db2.gz JQUMWTBBMKVUBD-KLHDSHLOSA-N 1 0 353.369 2.147 20 5 FEBDRO O=C(NCC1CC[NH+](CCc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399267 680460427 /nfs/dbraw/zinc/46/04/27/680460427.db2.gz LFNICNJQBKZDAX-NVXWUHKLSA-N 1 0 365.861 2.376 20 5 FEBDRO Cc1c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837177165 680563775 /nfs/dbraw/zinc/56/37/75/680563775.db2.gz NSSQHUPXRAQGTD-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186123 680565164 /nfs/dbraw/zinc/56/51/64/680565164.db2.gz NCQQYVOBJRKSGC-LBPRGKRZSA-N 1 0 350.375 2.366 20 5 FEBDRO C[C@H](CC[NH3+])NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841966225 680919309 /nfs/dbraw/zinc/91/93/09/680919309.db2.gz AINYZHSYBYRYOG-SECBINFHSA-N 1 0 371.235 2.162 20 5 FEBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842006766 680921517 /nfs/dbraw/zinc/92/15/17/680921517.db2.gz RSNURAANGLTPOQ-BDAKNGLRSA-N 1 0 371.235 2.161 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842482340 680949860 /nfs/dbraw/zinc/94/98/60/680949860.db2.gz QUFAHHGVLMMSNY-GXTWGEPZSA-N 1 0 371.434 2.195 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000768712230 680955781 /nfs/dbraw/zinc/95/57/81/680955781.db2.gz NZVYVWKXLDAQQY-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000842871677 680972585 /nfs/dbraw/zinc/97/25/85/680972585.db2.gz FLQFYBVAZSPFPO-TXEJJXNPSA-N 1 0 373.862 2.177 20 5 FEBDRO O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843379446 681000598 /nfs/dbraw/zinc/00/05/98/681000598.db2.gz GOFULVPPDCSTOC-INIZCTEOSA-N 1 0 352.822 2.262 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844643417 681069980 /nfs/dbraw/zinc/06/99/80/681069980.db2.gz RFIILMARVNXINP-UTUOFQBUSA-N 1 0 352.410 2.353 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000773853535 681157578 /nfs/dbraw/zinc/15/75/78/681157578.db2.gz WDBUSJSMVBVFLV-NSHDSACASA-N 1 0 350.394 2.014 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774357928 681181057 /nfs/dbraw/zinc/18/10/57/681181057.db2.gz VGCKCXZVDINNNA-IHRRRGAJSA-N 1 0 351.407 2.095 20 5 FEBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932264553 681208975 /nfs/dbraw/zinc/20/89/75/681208975.db2.gz ZOIQAGSZAYTBON-LBPRGKRZSA-N 1 0 355.822 2.018 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433180 681411042 /nfs/dbraw/zinc/41/10/42/681411042.db2.gz CHBPMYMSGBWAMX-GZMMTYOYSA-N 1 0 358.801 2.382 20 5 FEBDRO C[N@@H+]1CC[C@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000847822437 681436988 /nfs/dbraw/zinc/43/69/88/681436988.db2.gz CCKAYDTVSFVUQI-GFCCVEGCSA-N 1 0 351.359 2.321 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582149 681582941 /nfs/dbraw/zinc/58/29/41/681582941.db2.gz XSVGOSRULGLLDT-LBPRGKRZSA-N 1 0 357.357 2.367 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916042 685466650 /nfs/dbraw/zinc/46/66/50/685466650.db2.gz SRCFNVJODVOJOG-CYBMUJFWSA-N 1 0 368.231 2.206 20 5 FEBDRO CC(C)[C@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000849370589 681697647 /nfs/dbraw/zinc/69/76/47/681697647.db2.gz HQTDEUNYLOWHMM-HNNXBMFYSA-N 1 0 370.475 2.025 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849411795 681719975 /nfs/dbraw/zinc/71/99/75/681719975.db2.gz TWKQOKILLGLADJ-LLVKDONJSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000935481358 681759613 /nfs/dbraw/zinc/75/96/13/681759613.db2.gz JZGGJSVFWAVBMI-OLZOCXBDSA-N 1 0 369.849 2.094 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000935679652 681799292 /nfs/dbraw/zinc/79/92/92/681799292.db2.gz KYSJZWPLOWQLTP-KRWDZBQOSA-N 1 0 369.849 2.096 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000780716908 681864534 /nfs/dbraw/zinc/86/45/34/681864534.db2.gz UBSMIHPBZBWBQR-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000850591616 681921612 /nfs/dbraw/zinc/92/16/12/681921612.db2.gz AKNOHJMEWZIPOQ-NSHDSACASA-N 1 0 359.835 2.201 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781623305 681953561 /nfs/dbraw/zinc/95/35/61/681953561.db2.gz DCVUCFMOSROCKR-GFCCVEGCSA-N 1 0 352.391 2.282 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1Cl ZINC000783651302 682163055 /nfs/dbraw/zinc/16/30/55/682163055.db2.gz CBHODVMBYRIDBR-SWLSCSKDSA-N 1 0 374.846 2.074 20 5 FEBDRO O=C(CC[N@H+](C1CC1)C1(CO)CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852158939 682229764 /nfs/dbraw/zinc/22/97/64/682229764.db2.gz KCIIDQOSMJJXSD-UHFFFAOYSA-N 1 0 351.378 2.442 20 5 FEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000852320948 682260157 /nfs/dbraw/zinc/26/01/57/682260157.db2.gz HUVYXWAIIDFXRW-AWEZNQCLSA-N 1 0 371.821 2.218 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000918359786 685538794 /nfs/dbraw/zinc/53/87/94/685538794.db2.gz JPOHBARGTFOTCY-HZPDHXFCSA-N 1 0 371.434 2.005 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917829215 685534889 /nfs/dbraw/zinc/53/48/89/685534889.db2.gz OZCIBMTWPBMYLK-CJNGLKHVSA-N 1 0 350.419 2.066 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000853661675 682453397 /nfs/dbraw/zinc/45/33/97/682453397.db2.gz YLXYUGCRFKKFPP-UHFFFAOYSA-N 1 0 355.410 2.319 20 5 FEBDRO O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCCC[NH+]1CCCC1 ZINC000787983863 682495259 /nfs/dbraw/zinc/49/52/59/682495259.db2.gz XCSVESCOQIZUIA-UHFFFAOYSA-N 1 0 369.805 2.007 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000790448806 682678573 /nfs/dbraw/zinc/67/85/73/682678573.db2.gz CZKLPKHUHLNQBW-OAHLLOKOSA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000790937600 682714629 /nfs/dbraw/zinc/71/46/29/682714629.db2.gz XNWLGLPGRMZYKQ-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791211397 682728689 /nfs/dbraw/zinc/72/86/89/682728689.db2.gz OISXIMJBJNJPQA-LBPRGKRZSA-N 1 0 352.410 2.404 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000856478579 682787283 /nfs/dbraw/zinc/78/72/83/682787283.db2.gz CYWLCGVOLIJEMM-GFCCVEGCSA-N 1 0 350.394 2.168 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795940630 683110925 /nfs/dbraw/zinc/11/09/25/683110925.db2.gz VBAYEDMFHBRMMX-VIFPVBQESA-N 1 0 367.830 2.396 20 5 FEBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859532091 683124235 /nfs/dbraw/zinc/12/42/35/683124235.db2.gz UMMLHIWDQTUWGI-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO O=C(COC(=O)C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000859683152 683143531 /nfs/dbraw/zinc/14/35/31/683143531.db2.gz LHHLYWMLWAOAEN-UHFFFAOYSA-N 1 0 350.346 2.334 20 5 FEBDRO Cc1ccc(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000926794537 683171589 /nfs/dbraw/zinc/17/15/89/683171589.db2.gz BPLSOIORMCFKOT-CYBMUJFWSA-N 1 0 355.460 2.053 20 5 FEBDRO CC[NH+](CC)CCOC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000860287897 683226427 /nfs/dbraw/zinc/22/64/27/683226427.db2.gz QXEUYQDSZHQLMK-UHFFFAOYSA-N 1 0 350.350 2.418 20 5 FEBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860444468 683244278 /nfs/dbraw/zinc/24/42/78/683244278.db2.gz ABVNWLLVUFRBJV-UHFFFAOYSA-N 1 0 355.822 2.167 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000861550190 683434292 /nfs/dbraw/zinc/43/42/92/683434292.db2.gz CSGUHHSLTISVAV-UHFFFAOYSA-N 1 0 358.192 2.113 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922868194 683795029 /nfs/dbraw/zinc/79/50/29/683795029.db2.gz WVVLZSQBOGUPSN-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000866424135 684101792 /nfs/dbraw/zinc/10/17/92/684101792.db2.gz FIPNJZORGCAMAW-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CCC1(C)C ZINC000866700376 684136643 /nfs/dbraw/zinc/13/66/43/684136643.db2.gz VOBCPFFEMXOZCV-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866715306 684138463 /nfs/dbraw/zinc/13/84/63/684138463.db2.gz AQZGWJXOEPMWFW-FZMZJTMJSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000866819781 684160464 /nfs/dbraw/zinc/16/04/64/684160464.db2.gz KDWGQCIFPARUNB-VXGBXAGGSA-N 1 0 373.862 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000866819779 684160486 /nfs/dbraw/zinc/16/04/86/684160486.db2.gz KDWGQCIFPARUNB-NWDGAFQWSA-N 1 0 373.862 2.319 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893891 684175840 /nfs/dbraw/zinc/17/58/40/684175840.db2.gz UQJWCILCEUFVIT-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000866972199 684189507 /nfs/dbraw/zinc/18/95/07/684189507.db2.gz NQKLZRBUKMBBBK-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000867308824 684244066 /nfs/dbraw/zinc/24/40/66/684244066.db2.gz NYLCOQSPVNFTPV-JQWIXIFHSA-N 1 0 361.851 2.270 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H](OCC2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000931336745 684264237 /nfs/dbraw/zinc/26/42/37/684264237.db2.gz WCAJJXVPCOOQLM-OAHLLOKOSA-N 1 0 357.451 2.001 20 5 FEBDRO CCOc1ccc(NC(=O)CN2[C@H](C)C[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000923443779 684281903 /nfs/dbraw/zinc/28/19/03/684281903.db2.gz RGEPTFPBTMOMRU-JHJVBQTASA-N 1 0 350.419 2.003 20 5 FEBDRO CCOc1cc(CN2CC[NH+](CCCCCO)CC2)ccc1[N+](=O)[O-] ZINC000931495369 684291990 /nfs/dbraw/zinc/29/19/90/684291990.db2.gz JUQMKNIVXCQVHS-UHFFFAOYSA-N 1 0 351.447 2.274 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000867618202 684332861 /nfs/dbraw/zinc/33/28/61/684332861.db2.gz AGOADXMJWDBYSE-UHFFFAOYSA-N 1 0 359.473 2.153 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923705768 684337101 /nfs/dbraw/zinc/33/71/01/684337101.db2.gz ZEFFMRYFPRLIGR-GFCCVEGCSA-N 1 0 373.500 2.447 20 5 FEBDRO COc1cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000872152075 684923178 /nfs/dbraw/zinc/92/31/78/684923178.db2.gz LPDHSLYDORLZBU-MEDUHNTESA-N 1 0 357.357 2.246 20 5 FEBDRO CC(C)OC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000872244538 684931259 /nfs/dbraw/zinc/93/12/59/684931259.db2.gz NDAMLOGGLGEBKB-UHFFFAOYSA-N 1 0 356.444 2.306 20 5 FEBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC[NH2+]CC1 ZINC000872784854 685015306 /nfs/dbraw/zinc/01/53/06/685015306.db2.gz WZYSDQRIOJALCC-LBPRGKRZSA-N 1 0 352.410 2.371 20 5 FEBDRO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000877336806 686356994 /nfs/dbraw/zinc/35/69/94/686356994.db2.gz LYWATRJKPMAOSK-GFCCVEGCSA-N 1 0 353.806 2.137 20 5 FEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000877336807 686357245 /nfs/dbraw/zinc/35/72/45/686357245.db2.gz LYWATRJKPMAOSK-LBPRGKRZSA-N 1 0 353.806 2.137 20 5 FEBDRO CC(C)(C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877364184 686364720 /nfs/dbraw/zinc/36/47/20/686364720.db2.gz LDMIMMUYQPFWRA-MFKMUULPSA-N 1 0 359.348 2.468 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877369363 686366995 /nfs/dbraw/zinc/36/69/95/686366995.db2.gz YKHZSNTWKCEECA-GMSGAONNSA-N 1 0 351.712 2.457 20 5 FEBDRO CS[C@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH+](C)C ZINC000878320057 686564142 /nfs/dbraw/zinc/56/41/42/686564142.db2.gz ICBJTBBBVJGJEY-KBPBESRZSA-N 1 0 363.443 2.122 20 5 FEBDRO CC(C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000879406088 686816097 /nfs/dbraw/zinc/81/60/97/686816097.db2.gz LNWUESIWNWVSFD-OAHLLOKOSA-N 1 0 356.444 2.306 20 5 FEBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882431934 687366289 /nfs/dbraw/zinc/36/62/89/687366289.db2.gz KTCLVMBCMQOVTP-DGCLKSJQSA-N 1 0 361.489 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000882487601 687375946 /nfs/dbraw/zinc/37/59/46/687375946.db2.gz GVZKWZJSMNWZHG-LBPRGKRZSA-N 1 0 356.220 2.110 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([NH2+]C3CCOCC3)C2)s1 ZINC000882727257 687458323 /nfs/dbraw/zinc/45/83/23/687458323.db2.gz QDVMJEYFZNGYTB-LBPRGKRZSA-N 1 0 363.443 2.337 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884956019 687974193 /nfs/dbraw/zinc/97/41/93/687974193.db2.gz XPNJHFXWSJKMSO-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000885874847 688175386 /nfs/dbraw/zinc/17/53/86/688175386.db2.gz BIISLPQCCVYOIG-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886062665 688199001 /nfs/dbraw/zinc/19/90/01/688199001.db2.gz UHSBXGFGMKUBBA-UKRRQHHQSA-N 1 0 356.444 2.306 20 5 FEBDRO CN(CCC[NH+](C)C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889723229 688812599 /nfs/dbraw/zinc/81/25/99/688812599.db2.gz WBDXRWZYANJKID-UHFFFAOYSA-N 1 0 373.251 2.450 20 5 FEBDRO CC1(C)CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000890072266 688875229 /nfs/dbraw/zinc/87/52/29/688875229.db2.gz PUOPGIYIQPTQSX-UHFFFAOYSA-N 1 0 371.235 2.214 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000893133771 689301766 /nfs/dbraw/zinc/30/17/66/689301766.db2.gz COXLAODQRRNPSL-LBPRGKRZSA-N 1 0 351.794 2.091 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000894048445 689456212 /nfs/dbraw/zinc/45/62/12/689456212.db2.gz WKQGNLKDDMCSQR-IUODEOHRSA-N 1 0 352.822 2.136 20 5 FEBDRO C[NH+](C)CC1(O)CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000894957163 689628870 /nfs/dbraw/zinc/62/88/70/689628870.db2.gz VPVVIVWWOGBUIM-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO CO[C@@H](C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000895611162 689744179 /nfs/dbraw/zinc/74/41/79/689744179.db2.gz SAUODJNHIRLUBL-FZMZJTMJSA-N 1 0 359.220 2.498 20 5 FEBDRO Cn1nnc2c1C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000897347913 690010278 /nfs/dbraw/zinc/01/02/78/690010278.db2.gz WVFMNOMHKJDHFM-SSDOTTSWSA-N 1 0 372.248 2.194 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC([NH+]2CCCC2)C1 ZINC000898606356 690217288 /nfs/dbraw/zinc/21/72/88/690217288.db2.gz SNJBZEVBPUOWHO-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO CC(C)[NH2+]Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595221 690536419 /nfs/dbraw/zinc/53/64/19/690536419.db2.gz CBWMGQANEATYMZ-UHFFFAOYSA-N 1 0 354.208 2.495 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903216560 690868339 /nfs/dbraw/zinc/86/83/39/690868339.db2.gz DCTCHJKZQRYSCP-UONOGXRCSA-N 1 0 357.204 2.395 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000903530084 690913055 /nfs/dbraw/zinc/91/30/55/690913055.db2.gz OTLGUOVMULMUBA-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO COc1cc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903982798 690992094 /nfs/dbraw/zinc/99/20/94/690992094.db2.gz VVMFDISZVAFTLU-GHMZBOCLSA-N 1 0 363.336 2.324 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000905359136 691108252 /nfs/dbraw/zinc/10/82/52/691108252.db2.gz KVKWVBNDOKIJSS-INIZCTEOSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)O2 ZINC000905488799 691125032 /nfs/dbraw/zinc/12/50/32/691125032.db2.gz XNSYZXIZDMYWEY-FRULXJFHSA-N 1 0 350.415 2.190 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000905641196 691155249 /nfs/dbraw/zinc/15/52/49/691155249.db2.gz RCQVFHWFCKDKTM-HNNXBMFYSA-N 1 0 352.431 2.377 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000907074246 691387608 /nfs/dbraw/zinc/38/76/08/691387608.db2.gz OPJHUYQMCIJIHS-AWEZNQCLSA-N 1 0 369.849 2.096 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814830 720099007 /nfs/dbraw/zinc/09/90/07/720099007.db2.gz WZSFYKJDROZJGN-KDOFPFPSSA-N 1 0 364.421 2.314 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(F)c1 ZINC001164865826 721074250 /nfs/dbraw/zinc/07/42/50/721074250.db2.gz AICZNBOWOJKWOE-CVEARBPZSA-N 1 0 373.388 2.004 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902109 721520514 /nfs/dbraw/zinc/52/05/14/721520514.db2.gz ZGLLPAZGMFXANQ-GDBMZVCRSA-N 1 0 358.373 2.471 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800309757 674040575 /nfs/dbraw/zinc/04/05/75/674040575.db2.gz RMCLIMNGNUTEEA-HZMBPMFUSA-N 1 0 361.851 2.056 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000549639319 674055477 /nfs/dbraw/zinc/05/54/77/674055477.db2.gz HTGIMTHVCQOLRH-YIONKMFJSA-N 1 0 351.451 2.198 20 5 FEBDRO CC1(C)CC(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC(C)(C)[NH2+]1 ZINC000010816787 539520881 /nfs/dbraw/zinc/52/08/81/539520881.db2.gz IKSFGXKCHWUTKA-UHFFFAOYSA-N 1 0 363.414 2.405 20 5 FEBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198118 539780509 /nfs/dbraw/zinc/78/05/09/539780509.db2.gz FABFULOAQBMFGP-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Nc1cccc(F)c1 ZINC000026594945 539790423 /nfs/dbraw/zinc/79/04/23/539790423.db2.gz XJSDYTVFBBJKEJ-UHFFFAOYSA-N 1 0 373.388 2.280 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000032247118 539931841 /nfs/dbraw/zinc/93/18/41/539931841.db2.gz XOEWDIAMCSHEME-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1C ZINC000041630935 540028516 /nfs/dbraw/zinc/02/85/16/540028516.db2.gz KZXZUCNFVIUEPQ-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342368 540098392 /nfs/dbraw/zinc/09/83/92/540098392.db2.gz SMRGZYNMZPDCMI-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000045802177 540228842 /nfs/dbraw/zinc/22/88/42/540228842.db2.gz SUUFUDBUYMOAPN-INIZCTEOSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000049298552 540386644 /nfs/dbraw/zinc/38/66/44/540386644.db2.gz VTCPIIQICOEWOC-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000052781247 540489261 /nfs/dbraw/zinc/48/92/61/540489261.db2.gz ZZDGEOBXGDQKCS-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)[NH+]1CCCC1 ZINC000054373821 540587057 /nfs/dbraw/zinc/58/70/57/540587057.db2.gz RFPJXENTPHFHGN-MRXNPFEDSA-N 1 0 358.398 2.498 20 5 FEBDRO Cc1noc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676255 540601701 /nfs/dbraw/zinc/60/17/01/540601701.db2.gz XXJBJYZCUCXBLH-CYBMUJFWSA-N 1 0 359.386 2.494 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056140902 540706388 /nfs/dbraw/zinc/70/63/88/540706388.db2.gz ZLWFTZPLPMRKTK-AGUYFDCRSA-N 1 0 353.444 2.054 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000056197323 540710934 /nfs/dbraw/zinc/71/09/34/540710934.db2.gz LAMFKUTYFHMKIM-RYUDHWBXSA-N 1 0 356.382 2.372 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000064312892 541200931 /nfs/dbraw/zinc/20/09/31/541200931.db2.gz PSTNWNBKTWHFDM-IJLUTSLNSA-N 1 0 352.410 2.412 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000065654139 541251538 /nfs/dbraw/zinc/25/15/38/541251538.db2.gz JRDGCXDQOJKDJS-CYBMUJFWSA-N 1 0 363.414 2.233 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065917119 541271882 /nfs/dbraw/zinc/27/18/82/541271882.db2.gz ALFPATQCHCGYCQ-UHFFFAOYSA-N 1 0 363.462 2.342 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000066105828 541282597 /nfs/dbraw/zinc/28/25/97/541282597.db2.gz BDQGQUXOOFBGLB-GFCCVEGCSA-N 1 0 359.835 2.107 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066641804 541353406 /nfs/dbraw/zinc/35/34/06/541353406.db2.gz UKEGSHNLQOVNFP-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000066888446 541385615 /nfs/dbraw/zinc/38/56/15/541385615.db2.gz JSWJLPVUQOOXLT-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067233162 541435214 /nfs/dbraw/zinc/43/52/14/541435214.db2.gz GJDQTWXVAKIKQH-UHFFFAOYSA-N 1 0 371.441 2.457 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067382960 541452587 /nfs/dbraw/zinc/45/25/87/541452587.db2.gz NCQCSOBLYAIPNI-CQSZACIVSA-N 1 0 357.414 2.456 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067393838 541455149 /nfs/dbraw/zinc/45/51/49/541455149.db2.gz JTVUZESTZHMDKL-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067706479 541502546 /nfs/dbraw/zinc/50/25/46/541502546.db2.gz DLQIFYTYAOCVIK-INIZCTEOSA-N 1 0 354.410 2.397 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000068878764 541636584 /nfs/dbraw/zinc/63/65/84/541636584.db2.gz OXTPMKFCFDPVNQ-CQSZACIVSA-N 1 0 365.430 2.220 20 5 FEBDRO COc1cc(OCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068882474 541636611 /nfs/dbraw/zinc/63/66/11/541636611.db2.gz WWCBLXYEEOCTCZ-ZIAGYGMSSA-N 1 0 365.430 2.219 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069034478 541650096 /nfs/dbraw/zinc/65/00/96/541650096.db2.gz YEUFKNBZEPFRPP-CQSZACIVSA-N 1 0 350.419 2.147 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000071954624 541776337 /nfs/dbraw/zinc/77/63/37/541776337.db2.gz YAFJQCBEFSLEKY-UHFFFAOYSA-N 1 0 358.446 2.078 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000071895880 541774783 /nfs/dbraw/zinc/77/47/83/541774783.db2.gz VEPRRXWNQCTPRI-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000072022901 541779298 /nfs/dbraw/zinc/77/92/98/541779298.db2.gz JVULLORXDSPRNK-OAHLLOKOSA-N 1 0 365.459 2.442 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000072727979 541859118 /nfs/dbraw/zinc/85/91/18/541859118.db2.gz KOZZTACKAGHSJH-UHFFFAOYSA-N 1 0 363.439 2.347 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072855592 541882168 /nfs/dbraw/zinc/88/21/68/541882168.db2.gz XYLPXUDPGQOQGY-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO CCC[C@H](C)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000073394367 541949353 /nfs/dbraw/zinc/94/93/53/541949353.db2.gz UMSJYUOCOQQKKA-LBPRGKRZSA-N 1 0 358.464 2.035 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077140534 542348435 /nfs/dbraw/zinc/34/84/35/542348435.db2.gz QOKNZARGHOWKBJ-ZDUSSCGKSA-N 1 0 357.414 2.363 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078207615 542448203 /nfs/dbraw/zinc/44/82/03/542448203.db2.gz QQHGUUIZXSUSGI-FDQGKXFDSA-N 1 0 358.442 2.217 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000079709693 542538465 /nfs/dbraw/zinc/53/84/65/542538465.db2.gz ILVQLWMDQJOWBY-RDJZCZTQSA-N 1 0 371.441 2.351 20 5 FEBDRO COC1CC[NH+](CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000079998196 542556378 /nfs/dbraw/zinc/55/63/78/542556378.db2.gz RFMLDRKVBCTWCL-UHFFFAOYSA-N 1 0 362.430 2.010 20 5 FEBDRO Cc1ccnc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000080267324 542580531 /nfs/dbraw/zinc/58/05/31/542580531.db2.gz TZSFIKQAKAZMFS-UHFFFAOYSA-N 1 0 363.462 2.337 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089933238 542776170 /nfs/dbraw/zinc/77/61/70/542776170.db2.gz XSDTVMGIVKAKLX-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089959999 542776762 /nfs/dbraw/zinc/77/67/62/542776762.db2.gz ITDNAKQUSUVSPN-OALUTQOASA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000093001796 542900962 /nfs/dbraw/zinc/90/09/62/542900962.db2.gz XWRPOOSDSNEPBJ-NEPJUHHUSA-N 1 0 359.423 2.146 20 5 FEBDRO Nc1ccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103133623 543094377 /nfs/dbraw/zinc/09/43/77/543094377.db2.gz MYVQISPODTUFRW-MRXNPFEDSA-N 1 0 368.437 2.471 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000103976512 543119792 /nfs/dbraw/zinc/11/97/92/543119792.db2.gz PBRHGJYMNJHUBR-HNNXBMFYSA-N 1 0 363.414 2.328 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106521585 543233096 /nfs/dbraw/zinc/23/30/96/543233096.db2.gz VEOUNGJLJCEEEV-AWEZNQCLSA-N 1 0 361.446 2.323 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106791202 543247332 /nfs/dbraw/zinc/24/73/32/543247332.db2.gz ZMHKRRJPFGEMHR-GFCCVEGCSA-N 1 0 351.378 2.246 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000107325694 543266324 /nfs/dbraw/zinc/26/63/24/543266324.db2.gz QLEGNLLMUOUCSP-QGZVFWFLSA-N 1 0 361.446 2.229 20 5 FEBDRO O=C1[C@H](N2CC[NH+](C3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109130783 543314923 /nfs/dbraw/zinc/31/49/23/543314923.db2.gz LXNPCVUHIPGCFM-GOSISDBHSA-N 1 0 358.442 2.260 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000109986185 543345694 /nfs/dbraw/zinc/34/56/94/543345694.db2.gz MWKCHWVNIGDFBR-STQMWFEESA-N 1 0 372.425 2.287 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000110993885 543377964 /nfs/dbraw/zinc/37/79/64/543377964.db2.gz FJULWRLJLUCABG-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000110994974 543377989 /nfs/dbraw/zinc/37/79/89/543377989.db2.gz SKPOIKNLLYFRCO-MRXNPFEDSA-N 1 0 372.429 2.088 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000112852324 543465141 /nfs/dbraw/zinc/46/51/41/543465141.db2.gz KGVADHMQVPDBQZ-HUUCEWRRSA-N 1 0 374.441 2.175 20 5 FEBDRO COC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112988492 543471112 /nfs/dbraw/zinc/47/11/12/543471112.db2.gz JAGREUJHEGYFER-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113306197 543483808 /nfs/dbraw/zinc/48/38/08/543483808.db2.gz BFWXHMQXSJPWCF-JQWIXIFHSA-N 1 0 373.862 2.414 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000113301457 543483370 /nfs/dbraw/zinc/48/33/70/543483370.db2.gz DBTIOXNFNZRLNL-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000114400621 543514024 /nfs/dbraw/zinc/51/40/24/543514024.db2.gz XPZGGDQFDSNFAI-CQSZACIVSA-N 1 0 367.471 2.247 20 5 FEBDRO CCC[N@@H+]1CCCN(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000114463550 543518603 /nfs/dbraw/zinc/51/86/03/543518603.db2.gz RCNQLJMQSCDFFH-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115586065 543575794 /nfs/dbraw/zinc/57/57/94/543575794.db2.gz NTOMMVDPKJQOCE-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO CSc1ccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000116451573 543608743 /nfs/dbraw/zinc/60/87/43/543608743.db2.gz AADCGZHFNCCJLK-AWEZNQCLSA-N 1 0 367.471 2.139 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000119339656 543666636 /nfs/dbraw/zinc/66/66/36/543666636.db2.gz SRFIEYBKSRBUDC-ZDUSSCGKSA-N 1 0 356.220 2.427 20 5 FEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000122790866 543724366 /nfs/dbraw/zinc/72/43/66/543724366.db2.gz SSMUMSHAYWAHKA-UHFFFAOYSA-N 1 0 373.413 2.445 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000122828351 543726048 /nfs/dbraw/zinc/72/60/48/543726048.db2.gz VLZDSRVWLIRQRX-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123896947 543789993 /nfs/dbraw/zinc/78/99/93/543789993.db2.gz YILCWGZIQKIPKK-IUODEOHRSA-N 1 0 363.414 2.326 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000124970522 543854171 /nfs/dbraw/zinc/85/41/71/543854171.db2.gz RSWQSHBHSFXZIP-RHSMWYFYSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000126458814 543937477 /nfs/dbraw/zinc/93/74/77/543937477.db2.gz VLKKORCRJVLLSD-HNNXBMFYSA-N 1 0 363.393 2.048 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000126471226 543937682 /nfs/dbraw/zinc/93/76/82/543937682.db2.gz JKNNZQJAXOIELF-YOEHRIQHSA-N 1 0 358.442 2.482 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000126872288 543960903 /nfs/dbraw/zinc/96/09/03/543960903.db2.gz GRSXDXFVWURMIK-CQSZACIVSA-N 1 0 359.382 2.148 20 5 FEBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000128338504 544047247 /nfs/dbraw/zinc/04/72/47/544047247.db2.gz KCEHIIFAIKVSBH-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857800 544129714 /nfs/dbraw/zinc/12/97/14/544129714.db2.gz BWPKEFIAFDRTAB-KRWDZBQOSA-N 1 0 363.462 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C2CC2)cc1 ZINC000130821720 544166700 /nfs/dbraw/zinc/16/67/00/544166700.db2.gz VLOLPNIIFNQKBE-ROUUACIJSA-N 1 0 350.415 2.116 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078644242 221670108 /nfs/dbraw/zinc/67/01/08/221670108.db2.gz AOTNQDYHEUYXMN-GFCCVEGCSA-N 1 0 356.810 2.481 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131578995 544196550 /nfs/dbraw/zinc/19/65/50/544196550.db2.gz YTTOMKNCSPYRLR-RDTXWAMCSA-N 1 0 350.415 2.146 20 5 FEBDRO CCOC(=O)c1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000133390652 544268202 /nfs/dbraw/zinc/26/82/02/544268202.db2.gz CZBVWTUSKOFJSD-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000133505445 544272380 /nfs/dbraw/zinc/27/23/80/544272380.db2.gz QSCHVLKSWDUMTM-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134850323 544323857 /nfs/dbraw/zinc/32/38/57/544323857.db2.gz HOPFBXUBQMEUSI-HNNXBMFYSA-N 1 0 355.822 2.431 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000141575986 544413549 /nfs/dbraw/zinc/41/35/49/544413549.db2.gz MTNZBZQZMADMHW-KRWDZBQOSA-N 1 0 355.398 2.091 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136875677 544380365 /nfs/dbraw/zinc/38/03/65/544380365.db2.gz DZPQOFMBDAOCOH-NFAHFFEMSA-N 1 0 359.426 2.225 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000146584621 544440310 /nfs/dbraw/zinc/44/03/10/544440310.db2.gz MEHNDJSSESHUEU-OAHLLOKOSA-N 1 0 353.444 2.016 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153047897 544727011 /nfs/dbraw/zinc/72/70/11/544727011.db2.gz PCRFFJRSWLJBGQ-AGIUHOORSA-N 1 0 351.403 2.166 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCN(C)CC1 ZINC000152709019 544686805 /nfs/dbraw/zinc/68/68/05/544686805.db2.gz GVGFIEAVSUVGLH-MRXNPFEDSA-N 1 0 368.865 2.250 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000153217677 544747763 /nfs/dbraw/zinc/74/77/63/544747763.db2.gz APRJGWKBSFPJKI-VXGBXAGGSA-N 1 0 353.444 2.045 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000154353942 544895632 /nfs/dbraw/zinc/89/56/32/544895632.db2.gz STHSYQKLHPOOST-CQSZACIVSA-N 1 0 351.451 2.153 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155115791 544991877 /nfs/dbraw/zinc/99/18/77/544991877.db2.gz FJQNEUSHGSYIDU-OAHLLOKOSA-N 1 0 355.460 2.088 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553275843 674249883 /nfs/dbraw/zinc/24/98/83/674249883.db2.gz VYPOOBCCKIKMNG-LLVKDONJSA-N 1 0 350.448 2.037 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCOC2=O)c1 ZINC000181301174 327724149 /nfs/dbraw/zinc/72/41/49/327724149.db2.gz HJVOLXWDYZWNIQ-CYBMUJFWSA-N 1 0 372.381 2.064 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC000182678742 327784313 /nfs/dbraw/zinc/78/43/13/327784313.db2.gz XMMKDKWMAQJEJS-LBPRGKRZSA-N 1 0 357.370 2.376 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183726827 327832525 /nfs/dbraw/zinc/83/25/25/327832525.db2.gz GRYXCCOCTHESDR-HZPDHXFCSA-N 1 0 352.431 2.255 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000184634840 327876639 /nfs/dbraw/zinc/87/66/39/327876639.db2.gz VQZCVAQTMOPPES-UHFFFAOYSA-N 1 0 367.471 2.421 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000186312821 327956767 /nfs/dbraw/zinc/95/67/67/327956767.db2.gz LFGFFSXFIFJFHI-UHFFFAOYSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186769527 327981527 /nfs/dbraw/zinc/98/15/27/327981527.db2.gz RYBSKVIDIYJOEC-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187460725 328027256 /nfs/dbraw/zinc/02/72/56/328027256.db2.gz AJJDXLVMAIRVQP-MRXNPFEDSA-N 1 0 371.441 2.277 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187986976 328058519 /nfs/dbraw/zinc/05/85/19/328058519.db2.gz RYMNPCLIEHOITL-UGSOOPFHSA-N 1 0 365.430 2.415 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc([N+](=O)[O-])c1 ZINC000188081411 328064637 /nfs/dbraw/zinc/06/46/37/328064637.db2.gz PKPYPUMUNAIRAT-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000188239770 328075040 /nfs/dbraw/zinc/07/50/40/328075040.db2.gz VHAQMDLPCMBYBZ-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000188255667 328076167 /nfs/dbraw/zinc/07/61/67/328076167.db2.gz QGRCKPACNRXMJZ-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+]2CCC1CC2 ZINC000188643377 328100861 /nfs/dbraw/zinc/10/08/61/328100861.db2.gz LSLHQDHPIXWDKM-UHFFFAOYSA-N 1 0 368.231 2.206 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1CC(C)(C)O ZINC000188617799 328099105 /nfs/dbraw/zinc/09/91/05/328099105.db2.gz YVHWURNSDZCBBU-CYBMUJFWSA-N 1 0 372.425 2.060 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000189144737 328131162 /nfs/dbraw/zinc/13/11/62/328131162.db2.gz WJCYGILVOFCKLP-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000189947680 328177966 /nfs/dbraw/zinc/17/79/66/328177966.db2.gz SCDANLQLQRMYQU-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CCO ZINC000190248346 328196575 /nfs/dbraw/zinc/19/65/75/328196575.db2.gz YSLOGYLIJINIQC-CYBMUJFWSA-N 1 0 362.455 2.217 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000190410233 328206104 /nfs/dbraw/zinc/20/61/04/328206104.db2.gz FWZRDEIXBOMNPG-GXFFZTMASA-N 1 0 360.357 2.450 20 5 FEBDRO CCC[C@@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190693180 328225546 /nfs/dbraw/zinc/22/55/46/328225546.db2.gz YZKPBUYHBOBXMG-MRXNPFEDSA-N 1 0 355.460 2.307 20 5 FEBDRO Cc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000190805088 328233663 /nfs/dbraw/zinc/23/36/63/328233663.db2.gz QYQSKBSHMCHOKH-UHFFFAOYSA-N 1 0 372.429 2.409 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191710692 328278355 /nfs/dbraw/zinc/27/83/55/328278355.db2.gz UXODXLKRVJRREQ-ZFWWWQNUSA-N 1 0 357.414 2.062 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000191716854 328278515 /nfs/dbraw/zinc/27/85/15/328278515.db2.gz JKBXCQJYYFNZIW-MRXNPFEDSA-N 1 0 371.441 2.452 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000191773583 328280963 /nfs/dbraw/zinc/28/09/63/328280963.db2.gz KWPUYNGBUTYTNT-KBPBESRZSA-N 1 0 351.451 2.299 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192114668 328300467 /nfs/dbraw/zinc/30/04/67/328300467.db2.gz JITAUASAXZYUCA-NVXWUHKLSA-N 1 0 365.336 2.155 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(c3ccccc3Cl)CC2)n1 ZINC000193147158 328359937 /nfs/dbraw/zinc/35/99/37/328359937.db2.gz IDXLCOMCXZEPRK-UHFFFAOYSA-N 1 0 350.806 2.428 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000236860720 328496305 /nfs/dbraw/zinc/49/63/05/328496305.db2.gz DWDWUWZYQWLPLL-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000237037153 328502069 /nfs/dbraw/zinc/50/20/69/328502069.db2.gz VAUBJRNBQUIUJV-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237216004 328508896 /nfs/dbraw/zinc/50/88/96/328508896.db2.gz OYBYOTRWKCSXQX-ZIAGYGMSSA-N 1 0 367.471 2.470 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000078455434 325046187 /nfs/dbraw/zinc/04/61/87/325046187.db2.gz GHNYAMCGBPICET-CYBMUJFWSA-N 1 0 350.419 2.477 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000078650793 325055815 /nfs/dbraw/zinc/05/58/15/325055815.db2.gz WHVNJXFICKQJNK-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079541196 325096131 /nfs/dbraw/zinc/09/61/31/325096131.db2.gz DHPZOZICKFVCFA-UHFFFAOYSA-N 1 0 363.336 2.312 20 5 FEBDRO CN(CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000079677974 325101579 /nfs/dbraw/zinc/10/15/79/325101579.db2.gz VCBOPRKNICTCST-QGZVFWFLSA-N 1 0 370.453 2.320 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000081997028 325205721 /nfs/dbraw/zinc/20/57/21/325205721.db2.gz WPQLBOTVUHRPNI-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000083249252 325217694 /nfs/dbraw/zinc/21/76/94/325217694.db2.gz NROSFTDQMQBPLR-HRCADAONSA-N 1 0 354.451 2.068 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000090015441 325351545 /nfs/dbraw/zinc/35/15/45/325351545.db2.gz DQCUJLSJTWFUCW-NSHDSACASA-N 1 0 355.441 2.285 20 5 FEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cccc1[N+](=O)[O-] ZINC000090116124 325354141 /nfs/dbraw/zinc/35/41/41/325354141.db2.gz OORQAPAKQQEZCS-UKRRQHHQSA-N 1 0 357.414 2.483 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000090552059 325363275 /nfs/dbraw/zinc/36/32/75/325363275.db2.gz ZBARNFQFJLXMRZ-SFHVURJKSA-N 1 0 357.410 2.090 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000090551954 325363521 /nfs/dbraw/zinc/36/35/21/325363521.db2.gz MZCNJYPBOIQTSW-HIFRSBDPSA-N 1 0 363.439 2.406 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000108368390 325640881 /nfs/dbraw/zinc/64/08/81/325640881.db2.gz XLENCIVKECLFKJ-ZDUSSCGKSA-N 1 0 364.446 2.393 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109983975 325681569 /nfs/dbraw/zinc/68/15/69/325681569.db2.gz XBQPSVHYCZMNKN-UHFFFAOYSA-N 1 0 372.425 2.288 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000112325478 325772392 /nfs/dbraw/zinc/77/23/92/325772392.db2.gz SHLMYSFSYHKFRS-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1Cl ZINC000116816173 326036632 /nfs/dbraw/zinc/03/66/32/326036632.db2.gz CUKRKBKHPXWPRT-UHFFFAOYSA-N 1 0 367.793 2.024 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000117985640 326076082 /nfs/dbraw/zinc/07/60/82/326076082.db2.gz KEOBFOHGHLMVHP-UHFFFAOYSA-N 1 0 350.419 2.280 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000119673822 326186967 /nfs/dbraw/zinc/18/69/67/326186967.db2.gz OOANDANJAQGHML-GFCCVEGCSA-N 1 0 350.375 2.211 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000120669785 326277407 /nfs/dbraw/zinc/27/74/07/326277407.db2.gz WVKVRQKQNUNRNU-WDEREUQCSA-N 1 0 368.821 2.128 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000122003800 326380360 /nfs/dbraw/zinc/38/03/60/326380360.db2.gz FFYBISXBHLHBKI-MSOLQXFVSA-N 1 0 361.442 2.021 20 5 FEBDRO C[C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000127264154 326503109 /nfs/dbraw/zinc/50/31/09/326503109.db2.gz XGDRYBIUQQOPJH-HOTGVXAUSA-N 1 0 360.458 2.269 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128859758 326530993 /nfs/dbraw/zinc/53/09/93/326530993.db2.gz WQKMKSYSSHLZCO-FUHWJXTLSA-N 1 0 369.425 2.454 20 5 FEBDRO O=C(c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)N1CC[NH2+]CC1 ZINC000159379690 326929646 /nfs/dbraw/zinc/92/96/46/326929646.db2.gz YHDBMJZIPQRZDB-UHFFFAOYSA-N 1 0 370.196 2.133 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000162081071 327016483 /nfs/dbraw/zinc/01/64/83/327016483.db2.gz QWIMZQDPFNZBBX-CQSZACIVSA-N 1 0 371.441 2.490 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000162723656 327033091 /nfs/dbraw/zinc/03/30/91/327033091.db2.gz JOESIMHDLACJPM-UKRRQHHQSA-N 1 0 357.414 2.443 20 5 FEBDRO C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000164370324 327069217 /nfs/dbraw/zinc/06/92/17/327069217.db2.gz BEFMGWUSKPRIDV-ZDUSSCGKSA-N 1 0 357.476 2.033 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000165839479 327079100 /nfs/dbraw/zinc/07/91/00/327079100.db2.gz IXFPLZRUCLYGDP-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000166291242 327081270 /nfs/dbraw/zinc/08/12/70/327081270.db2.gz NEAFKSWURDXXMI-UHFFFAOYSA-N 1 0 361.489 2.399 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CCO1 ZINC000170639718 327089933 /nfs/dbraw/zinc/08/99/33/327089933.db2.gz GKKGRNMJOLATPE-ZDUSSCGKSA-N 1 0 374.441 2.169 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000170962848 327110028 /nfs/dbraw/zinc/11/00/28/327110028.db2.gz SBMRWYSHDTUPTH-QGZVFWFLSA-N 1 0 361.446 2.229 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618628 327148611 /nfs/dbraw/zinc/14/86/11/327148611.db2.gz JQCPUZQSBLMEQT-AWEZNQCLSA-N 1 0 357.414 2.391 20 5 FEBDRO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)(N2CCCCC2)CC1 ZINC000172752549 327216912 /nfs/dbraw/zinc/21/69/12/327216912.db2.gz ZZQRKZSLDBTYFP-UHFFFAOYSA-N 1 0 366.487 2.336 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000172843148 327221913 /nfs/dbraw/zinc/22/19/13/327221913.db2.gz RFDKMDLTAREFMS-CYBMUJFWSA-N 1 0 350.375 2.449 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000173463239 327259154 /nfs/dbraw/zinc/25/91/54/327259154.db2.gz AJTNTCGIBREMBA-CQSZACIVSA-N 1 0 356.382 2.447 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173572358 327267885 /nfs/dbraw/zinc/26/78/85/327267885.db2.gz PCFRCCKWKCCJJT-INIZCTEOSA-N 1 0 374.441 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000173614148 327271253 /nfs/dbraw/zinc/27/12/53/327271253.db2.gz BKGDZEHOTNILOL-CYBMUJFWSA-N 1 0 364.446 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000173627032 327272002 /nfs/dbraw/zinc/27/20/02/327272002.db2.gz LJRPNKVPGZCXRW-GFCCVEGCSA-N 1 0 359.473 2.153 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173925416 327294929 /nfs/dbraw/zinc/29/49/29/327294929.db2.gz KTPHFSBMKCZQAN-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO C[N@@H+](Cc1ccccc1OC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715920 327345300 /nfs/dbraw/zinc/34/53/00/327345300.db2.gz GUWJJPHHFVRIIL-ZDUSSCGKSA-N 1 0 374.319 2.183 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)F)cc1 ZINC000174718354 327345494 /nfs/dbraw/zinc/34/54/94/327345494.db2.gz UFDOBDYYTPUNDW-ZWNOBZJWSA-N 1 0 356.329 2.104 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000174818026 327353194 /nfs/dbraw/zinc/35/31/94/327353194.db2.gz FGDYTWKLOFWAJG-MRXNPFEDSA-N 1 0 372.429 2.468 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175128126 327375691 /nfs/dbraw/zinc/37/56/91/327375691.db2.gz UKZRRJFGJMAAGC-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177091537 327496941 /nfs/dbraw/zinc/49/69/41/327496941.db2.gz LUFPWPNNJWGIRI-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178686172 327600459 /nfs/dbraw/zinc/60/04/59/327600459.db2.gz IMVKHQOORBXYGE-CJNGLKHVSA-N 1 0 357.414 2.483 20 5 FEBDRO CCOc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000178811760 327608547 /nfs/dbraw/zinc/60/85/47/327608547.db2.gz XYYRJTFRJGWAET-LLVKDONJSA-N 1 0 351.403 2.202 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261913040 328829030 /nfs/dbraw/zinc/82/90/30/328829030.db2.gz YKNIOISCGXEFFH-WCQYABFASA-N 1 0 353.444 2.032 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000262115946 328843521 /nfs/dbraw/zinc/84/35/21/328843521.db2.gz VDXSSQIVKKNFHO-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262134563 328844777 /nfs/dbraw/zinc/84/47/77/328844777.db2.gz YMPWRWZWZLQZBG-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264633003 329043004 /nfs/dbraw/zinc/04/30/04/329043004.db2.gz MIZZAMPJOLUART-CQSZACIVSA-N 1 0 358.442 2.409 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000264666110 329046283 /nfs/dbraw/zinc/04/62/83/329046283.db2.gz ZNSHOUMYBOEFOE-KRWDZBQOSA-N 1 0 367.471 2.375 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264669735 329046474 /nfs/dbraw/zinc/04/64/74/329046474.db2.gz WEUODESJLXXCHV-CQSZACIVSA-N 1 0 358.442 2.409 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264880119 329070487 /nfs/dbraw/zinc/07/04/87/329070487.db2.gz CMOJIAIYOSJUSW-CYBMUJFWSA-N 1 0 363.414 2.360 20 5 FEBDRO CC[NH+]1CCN(Cc2ccccc2CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265092687 329090118 /nfs/dbraw/zinc/09/01/18/329090118.db2.gz AUNGIDRAOHWONN-UHFFFAOYSA-N 1 0 372.473 2.386 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980823 329178764 /nfs/dbraw/zinc/17/87/64/329178764.db2.gz YXSQRJHKRGRKHO-QWHCGFSZSA-N 1 0 365.430 2.462 20 5 FEBDRO CC1(C)CN(CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCO1 ZINC000266190646 329198818 /nfs/dbraw/zinc/19/88/18/329198818.db2.gz BSYKLXYZKKAJJE-UHFFFAOYSA-N 1 0 364.402 2.074 20 5 FEBDRO Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000266227747 329202260 /nfs/dbraw/zinc/20/22/60/329202260.db2.gz RICBSKQXYKUKBD-UHFFFAOYSA-N 1 0 371.441 2.212 20 5 FEBDRO C[N@@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266569069 329237179 /nfs/dbraw/zinc/23/71/79/329237179.db2.gz KXFBSFGBGOOQGH-AWEZNQCLSA-N 1 0 369.219 2.047 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266614054 329241783 /nfs/dbraw/zinc/24/17/83/329241783.db2.gz IQBIEFPVKYCFFI-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266966366 329277823 /nfs/dbraw/zinc/27/78/23/329277823.db2.gz ZSDLGIMENJKSMX-OCCSQVGLSA-N 1 0 353.423 2.026 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000267058229 329287437 /nfs/dbraw/zinc/28/74/37/329287437.db2.gz IARKLBTZOAFJCQ-UHFFFAOYSA-N 1 0 357.414 2.028 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267246263 329306582 /nfs/dbraw/zinc/30/65/82/329306582.db2.gz LMPUBLQLWXVLRK-UHFFFAOYSA-N 1 0 362.474 2.015 20 5 FEBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267279459 329310084 /nfs/dbraw/zinc/31/00/84/329310084.db2.gz VAEKBCJVTGIPJF-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000267994857 329375142 /nfs/dbraw/zinc/37/51/42/329375142.db2.gz QWBCNDWVERWSIX-INIZCTEOSA-N 1 0 351.447 2.345 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160130 329392036 /nfs/dbraw/zinc/39/20/36/329392036.db2.gz VKCRFPAIPCAGRV-DGCLKSJQSA-N 1 0 351.403 2.071 20 5 FEBDRO COc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000268183654 329394356 /nfs/dbraw/zinc/39/43/56/329394356.db2.gz UGGMSNWLZLPACH-MRXNPFEDSA-N 1 0 354.426 2.426 20 5 FEBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268455470 329421881 /nfs/dbraw/zinc/42/18/81/329421881.db2.gz XHOITJZUMCDIDK-OIRASMEMSA-N 1 0 350.444 2.242 20 5 FEBDRO CN(CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000270232763 329583964 /nfs/dbraw/zinc/58/39/64/329583964.db2.gz OAVVJLRSRNTQCX-INIZCTEOSA-N 1 0 360.458 2.221 20 5 FEBDRO Cn1cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270585377 329612551 /nfs/dbraw/zinc/61/25/51/329612551.db2.gz XIKQKQPQCYBEFC-AWEZNQCLSA-N 1 0 358.320 2.398 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270783490 329631417 /nfs/dbraw/zinc/63/14/17/329631417.db2.gz KOORYYXYNFUVSG-UHFFFAOYSA-N 1 0 359.430 2.313 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000273533040 329872300 /nfs/dbraw/zinc/87/23/00/329872300.db2.gz ZGTFZHHSVLDMQY-LBPRGKRZSA-N 1 0 370.456 2.019 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000275449588 330050002 /nfs/dbraw/zinc/05/00/02/330050002.db2.gz NNVKFBRMXSTSMI-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO C[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000367206631 330230162 /nfs/dbraw/zinc/23/01/62/330230162.db2.gz RWGKKBAEFMYYRY-LJQANCHMSA-N 1 0 371.441 2.210 20 5 FEBDRO COc1ccc(OCC[N@H+](CCO)[C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000433184864 330275420 /nfs/dbraw/zinc/27/54/20/330275420.db2.gz YFKIABNGFWQMGH-CYBMUJFWSA-N 1 0 356.444 2.172 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000804848859 674303484 /nfs/dbraw/zinc/30/34/84/674303484.db2.gz LAYZQJZYCNZIJJ-CQSZACIVSA-N 1 0 352.387 2.117 20 5 FEBDRO CN(C[C@H](O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000818165367 675200574 /nfs/dbraw/zinc/20/05/74/675200574.db2.gz GWWJLYTXDJDPPX-OAHLLOKOSA-N 1 0 353.419 2.254 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000554720495 674332328 /nfs/dbraw/zinc/33/23/28/674332328.db2.gz YMQUPJWCHFMBCU-ZBFHGGJFSA-N 1 0 365.455 2.289 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247559977 549357879 /nfs/dbraw/zinc/35/78/79/549357879.db2.gz ZNRFJFZCTLCFQF-GXTWGEPZSA-N 1 0 372.429 2.039 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155556789 545542411 /nfs/dbraw/zinc/54/24/11/545542411.db2.gz LKLMVPAPMNZIOG-CJNGLKHVSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155580227 545545523 /nfs/dbraw/zinc/54/55/23/545545523.db2.gz BOHPKWISTYWBHB-DYVFJYSZSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155907190 545582621 /nfs/dbraw/zinc/58/26/21/545582621.db2.gz KWVZYLRDPVEMHV-LBPRGKRZSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000155973476 545588098 /nfs/dbraw/zinc/58/80/98/545588098.db2.gz VYXWXUMXIVQWKH-LBPRGKRZSA-N 1 0 351.403 2.289 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1Cl ZINC000156691172 545648046 /nfs/dbraw/zinc/64/80/46/545648046.db2.gz IEKWJDTZGMZXPL-CYBMUJFWSA-N 1 0 355.822 2.215 20 5 FEBDRO CCOCCO[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157634552 545763351 /nfs/dbraw/zinc/76/33/51/545763351.db2.gz JNQXTAXYCMCGIM-KGLIPLIRSA-N 1 0 351.403 2.049 20 5 FEBDRO Cc1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000159311488 545942261 /nfs/dbraw/zinc/94/22/61/545942261.db2.gz BYIAWBCDLYPGJR-GOSISDBHSA-N 1 0 369.421 2.052 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000159892273 545989382 /nfs/dbraw/zinc/98/93/82/545989382.db2.gz PCPZFMHADZTLKK-UHFFFAOYSA-N 1 0 363.462 2.442 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161077648 546098537 /nfs/dbraw/zinc/09/85/37/546098537.db2.gz YLEWUPRQQCHRSC-STQMWFEESA-N 1 0 353.444 2.223 20 5 FEBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479543506 561191744 /nfs/dbraw/zinc/19/17/44/561191744.db2.gz KRMKWPMCBYAJIX-PBHICJAKSA-N 1 0 367.471 2.455 20 5 FEBDRO CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000176261892 546425386 /nfs/dbraw/zinc/42/53/86/546425386.db2.gz GYPPLYHJIBIIFK-UHFFFAOYSA-N 1 0 370.312 2.253 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176714946 546479449 /nfs/dbraw/zinc/47/94/49/546479449.db2.gz OUMVRMSTZYIKFA-CQSZACIVSA-N 1 0 352.435 2.184 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCC2(C)CCC2)c([N+](=O)[O-])c1 ZINC000176975381 546517152 /nfs/dbraw/zinc/51/71/52/546517152.db2.gz OYEVIPZHBQXRJJ-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480760321 561216083 /nfs/dbraw/zinc/21/60/83/561216083.db2.gz QWESMOQABGHVQA-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000178724497 546839140 /nfs/dbraw/zinc/83/91/40/546839140.db2.gz SOOMQQIYBSIHGG-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000178820924 546856125 /nfs/dbraw/zinc/85/61/25/546856125.db2.gz WPSBAVGICWQNIO-NSHDSACASA-N 1 0 351.403 2.202 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745294 561240727 /nfs/dbraw/zinc/24/07/27/561240727.db2.gz CHFYAHMSRNZIFD-GOEBONIOSA-N 1 0 352.387 2.016 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000180053917 547044178 /nfs/dbraw/zinc/04/41/78/547044178.db2.gz LHNAVDPBCONSKW-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000180582694 547135784 /nfs/dbraw/zinc/13/57/84/547135784.db2.gz SWMKGGBHGAPCJF-HIFRSBDPSA-N 1 0 369.425 2.355 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(-n2cccn2)cc1 ZINC000180817970 547185256 /nfs/dbraw/zinc/18/52/56/547185256.db2.gz RVWPFFJGHCKWCO-CQSZACIVSA-N 1 0 353.382 2.293 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181093164 547248758 /nfs/dbraw/zinc/24/87/58/547248758.db2.gz DXPYOIMAQNUIGH-BBRMVZONSA-N 1 0 369.425 2.212 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916460 547403585 /nfs/dbraw/zinc/40/35/85/547403585.db2.gz UVKFIUOIUUWEEY-SJORKVTESA-N 1 0 363.458 2.142 20 5 FEBDRO CC(=O)N1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C1 ZINC000182184060 547449868 /nfs/dbraw/zinc/44/98/68/547449868.db2.gz NDJDZXUNULUDFD-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO CC(=O)N1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC000182213253 547454627 /nfs/dbraw/zinc/45/46/27/547454627.db2.gz OJCLXIKGHOUJMO-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000182255907 547462310 /nfs/dbraw/zinc/46/23/10/547462310.db2.gz OFXPNRZLTLQRJM-UKRRQHHQSA-N 1 0 351.403 2.479 20 5 FEBDRO C[C@H](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+]1CCCCC1 ZINC000183091661 547600383 /nfs/dbraw/zinc/60/03/83/547600383.db2.gz YIRXDRUKUYLUJB-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000183297800 547635089 /nfs/dbraw/zinc/63/50/89/547635089.db2.gz UATMRHSXDFJFOS-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000183341752 547641281 /nfs/dbraw/zinc/64/12/81/547641281.db2.gz IAKOCUKNMVNGLD-UKRRQHHQSA-N 1 0 367.421 2.191 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000183391895 547649835 /nfs/dbraw/zinc/64/98/35/547649835.db2.gz BPOYTPCMPDEINK-MRXNPFEDSA-N 1 0 373.384 2.231 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000183709975 547705308 /nfs/dbraw/zinc/70/53/08/547705308.db2.gz ITZYBAMUOMDMLL-QGZVFWFLSA-N 1 0 370.471 2.289 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184718138 547869116 /nfs/dbraw/zinc/86/91/16/547869116.db2.gz XVVXRFZTKQOGHM-OAHLLOKOSA-N 1 0 369.487 2.382 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000185118192 547936095 /nfs/dbraw/zinc/93/60/95/547936095.db2.gz OGJZRPWDWZDPAC-NSHDSACASA-N 1 0 361.439 2.297 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000185169653 547945635 /nfs/dbraw/zinc/94/56/35/547945635.db2.gz XHWGAVXQDOXZJY-OAHLLOKOSA-N 1 0 369.425 2.309 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000185282244 547964727 /nfs/dbraw/zinc/96/47/27/547964727.db2.gz LCWXHGXICRXFQJ-WFASDCNBSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](C)C[NH+]2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000186289281 548114125 /nfs/dbraw/zinc/11/41/25/548114125.db2.gz SJIRELDFWDUVGH-CYBMUJFWSA-N 1 0 351.451 2.179 20 5 FEBDRO CSc1cccc(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000486213494 561341164 /nfs/dbraw/zinc/34/11/64/561341164.db2.gz XQDWYCHCCSTOED-ZDUSSCGKSA-N 1 0 367.471 2.139 20 5 FEBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000236942327 548789331 /nfs/dbraw/zinc/78/93/31/548789331.db2.gz PRHNKRJASAHNOO-ZIAGYGMSSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237094648 548800089 /nfs/dbraw/zinc/80/00/89/548800089.db2.gz LXGCIEQTDISWLU-LBPRGKRZSA-N 1 0 356.220 2.110 20 5 FEBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000237319084 548817415 /nfs/dbraw/zinc/81/74/15/548817415.db2.gz LOPFTCLQJVVBTE-UHFFFAOYSA-N 1 0 359.382 2.353 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237552570 548834463 /nfs/dbraw/zinc/83/44/63/548834463.db2.gz FBWLIZNPAJRMSX-QWHCGFSZSA-N 1 0 371.441 2.279 20 5 FEBDRO Cn1cc(C(=O)NCC2([NH3+])CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237883563 548861219 /nfs/dbraw/zinc/86/12/19/548861219.db2.gz LUUIOVGAEVULCR-UHFFFAOYSA-N 1 0 357.414 2.387 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000245431636 548917068 /nfs/dbraw/zinc/91/70/68/548917068.db2.gz AVZWNCZAEPXFPX-KGLIPLIRSA-N 1 0 364.446 2.204 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000245853248 549004111 /nfs/dbraw/zinc/00/41/11/549004111.db2.gz JPQLPQDVVZFYBX-LSDHHAIUSA-N 1 0 365.455 2.180 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246102686 549052246 /nfs/dbraw/zinc/05/22/46/549052246.db2.gz LSSXDMDXXVFDCZ-GXTWGEPZSA-N 1 0 371.434 2.147 20 5 FEBDRO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246157318 549065721 /nfs/dbraw/zinc/06/57/21/549065721.db2.gz HEVXMBLCCNGYQY-ZDUSSCGKSA-N 1 0 352.822 2.357 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246219947 549081685 /nfs/dbraw/zinc/08/16/85/549081685.db2.gz PUSHEBDUYNYXON-JSGCOSHPSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246250543 549089027 /nfs/dbraw/zinc/08/90/27/549089027.db2.gz JFTYSUBUCHXPEC-VVWQDTPRSA-N 1 0 363.458 2.202 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246319692 549105035 /nfs/dbraw/zinc/10/50/35/549105035.db2.gz DCCYEMWOPQTDII-TUAOUCFPSA-N 1 0 361.489 2.301 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000246322618 549106643 /nfs/dbraw/zinc/10/66/43/549106643.db2.gz RUSJSGHWRONSGN-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246628837 549177536 /nfs/dbraw/zinc/17/75/36/549177536.db2.gz IVRPVKYPVYBFHN-ZIAGYGMSSA-N 1 0 355.460 2.135 20 5 FEBDRO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488789441 561397110 /nfs/dbraw/zinc/39/71/10/561397110.db2.gz ZWLQDGRSUWLUGJ-UHFFFAOYSA-N 1 0 371.441 2.477 20 5 FEBDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805530 561397417 /nfs/dbraw/zinc/39/74/17/561397417.db2.gz XTPLLVJRHHCTFG-QAPCUYQASA-N 1 0 360.414 2.170 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000246810105 549218116 /nfs/dbraw/zinc/21/81/16/549218116.db2.gz NXIHSRXALKAVCD-SUMWQHHRSA-N 1 0 364.446 2.165 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246865542 549230993 /nfs/dbraw/zinc/23/09/93/549230993.db2.gz WEDGPBWCULNXSF-BBRMVZONSA-N 1 0 355.460 2.087 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000248635438 549472429 /nfs/dbraw/zinc/47/24/29/549472429.db2.gz QFSYELZMZUVCMH-IHRRRGAJSA-N 1 0 365.455 2.032 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC[NH3+])CC1CCCC1 ZINC000489905519 561422085 /nfs/dbraw/zinc/42/20/85/561422085.db2.gz ICYCRGXQMGHWLV-UHFFFAOYSA-N 1 0 364.446 2.383 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000489944717 561422928 /nfs/dbraw/zinc/42/29/28/561422928.db2.gz GHRYAXSINFDMSL-GFCCVEGCSA-N 1 0 360.336 2.284 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262064450 549785132 /nfs/dbraw/zinc/78/51/32/549785132.db2.gz RLBNRZSNQSRPFU-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO C[C@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H]1CCC[NH2+]C1 ZINC000262672290 549837482 /nfs/dbraw/zinc/83/74/82/549837482.db2.gz OWPAUHZCDRBDLQ-QLFBSQMISA-N 1 0 361.446 2.028 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064086 /nfs/dbraw/zinc/06/40/86/550064086.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 1 0 361.402 2.288 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000268451939 550068378 /nfs/dbraw/zinc/06/83/78/550068378.db2.gz IPZOHWCNTWKLJK-UHFFFAOYSA-N 1 0 361.398 2.306 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487546 550276860 /nfs/dbraw/zinc/27/68/60/550276860.db2.gz UBQVVJRSUSAGJT-MAUKXSAKSA-N 1 0 363.414 2.269 20 5 FEBDRO CS[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1[NH+](C)C ZINC000270626368 550290386 /nfs/dbraw/zinc/29/03/86/550290386.db2.gz FJYZHJNSJONULU-UONOGXRCSA-N 1 0 363.443 2.122 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870970 550315912 /nfs/dbraw/zinc/31/59/12/550315912.db2.gz OCJPTJYNRXBODF-PKOBYXMFSA-N 1 0 369.421 2.208 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H]1[NH+](C)C ZINC000271218368 550354716 /nfs/dbraw/zinc/35/47/16/550354716.db2.gz ZLAQWWLQGRCHRM-HOTGVXAUSA-N 1 0 362.455 2.123 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000271344938 550367203 /nfs/dbraw/zinc/36/72/03/550367203.db2.gz DAEGLHXMTZMOKT-UHFFFAOYSA-N 1 0 371.441 2.313 20 5 FEBDRO O=C(C[NH2+][C@@H](CCO)c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000271734455 550398613 /nfs/dbraw/zinc/39/86/13/550398613.db2.gz ZAQMISWBUZMIFP-KRWDZBQOSA-N 1 0 355.394 2.197 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272311901 550436723 /nfs/dbraw/zinc/43/67/23/550436723.db2.gz IJFFGKOLARZCCV-GWCFXTLKSA-N 1 0 363.443 2.402 20 5 FEBDRO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000273002519 550480195 /nfs/dbraw/zinc/48/01/95/550480195.db2.gz NDSHOCFRQSOBLY-AWEZNQCLSA-N 1 0 356.220 2.477 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000273087590 550484422 /nfs/dbraw/zinc/48/44/22/550484422.db2.gz SAAAOIFHWIKOJI-UHFFFAOYSA-N 1 0 366.414 2.111 20 5 FEBDRO CC1([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)OCCO1 ZINC000273130658 550486484 /nfs/dbraw/zinc/48/64/84/550486484.db2.gz SWLFLQRPMSTXCS-OAHLLOKOSA-N 1 0 364.398 2.436 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000273339374 550494903 /nfs/dbraw/zinc/49/49/03/550494903.db2.gz NLWZWPDTPMKBKC-HNNXBMFYSA-N 1 0 350.415 2.227 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000273722364 550509122 /nfs/dbraw/zinc/50/91/22/550509122.db2.gz GWODBGGUADOHSU-UHFFFAOYSA-N 1 0 359.835 2.097 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277082591 550630015 /nfs/dbraw/zinc/63/00/15/550630015.db2.gz UKDOHCFKDZACRC-NSHDSACASA-N 1 0 361.851 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000277451433 550672211 /nfs/dbraw/zinc/67/22/11/550672211.db2.gz GNTCTQSYJUDKBN-UHFFFAOYSA-N 1 0 357.357 2.151 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044306 550742414 /nfs/dbraw/zinc/74/24/14/550742414.db2.gz CHGFCDDBBXSDGU-XJKSGUPXSA-N 1 0 370.409 2.336 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278188446 550758767 /nfs/dbraw/zinc/75/87/67/550758767.db2.gz BWULIMZYVZUVGF-LLVKDONJSA-N 1 0 372.294 2.368 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278390495 550780271 /nfs/dbraw/zinc/78/02/71/550780271.db2.gz ZUWOLLCQEPHOFS-LBPRGKRZSA-N 1 0 360.418 2.145 20 5 FEBDRO Cc1c(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278534327 550796216 /nfs/dbraw/zinc/79/62/16/550796216.db2.gz SELKVASBUNLEIS-CQSZACIVSA-N 1 0 361.442 2.157 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278634504 550806668 /nfs/dbraw/zinc/80/66/68/550806668.db2.gz IOYDQGSFVMRTNZ-ZDUSSCGKSA-N 1 0 360.418 2.097 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-])c1ccccn1 ZINC000495174797 561483595 /nfs/dbraw/zinc/48/35/95/561483595.db2.gz NPNHFGXQMQKUFN-XJQUKVTJSA-N 1 0 367.409 2.111 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000279266681 550871669 /nfs/dbraw/zinc/87/16/69/550871669.db2.gz MVYZZGSPHZUEAF-NONVJHHQSA-N 1 0 362.426 2.272 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[NH+]1CCCC1 ZINC000279292253 550874360 /nfs/dbraw/zinc/87/43/60/550874360.db2.gz YTDUPTHXJSRFMN-GFCCVEGCSA-N 1 0 352.410 2.262 20 5 FEBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000280224893 550973051 /nfs/dbraw/zinc/97/30/51/550973051.db2.gz UZPKWQYVNKULPE-UHFFFAOYSA-N 1 0 361.373 2.490 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000281692985 551131728 /nfs/dbraw/zinc/13/17/28/551131728.db2.gz ZBJBIYQGYIKOMD-UHFFFAOYSA-N 1 0 359.423 2.149 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000281840021 551146393 /nfs/dbraw/zinc/14/63/93/551146393.db2.gz WMUBHSVTJWLYEI-QAPCUYQASA-N 1 0 368.437 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1(OCCO)CCOCC1)CCC2 ZINC000282724392 551263810 /nfs/dbraw/zinc/26/38/10/551263810.db2.gz MESDNQAOQDIYAP-QGZVFWFLSA-N 1 0 350.415 2.120 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000282893334 551282783 /nfs/dbraw/zinc/28/27/83/551282783.db2.gz XLSSLITVTUGVCU-KRWDZBQOSA-N 1 0 366.487 2.216 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649092 561505477 /nfs/dbraw/zinc/50/54/77/561505477.db2.gz JECBAAFCVNCNOU-HUUCEWRRSA-N 1 0 365.455 2.036 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccsc1 ZINC000283615506 551397222 /nfs/dbraw/zinc/39/72/22/551397222.db2.gz ZWBGGZPKKLOQMM-CQSZACIVSA-N 1 0 352.391 2.410 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283711891 551414319 /nfs/dbraw/zinc/41/43/19/551414319.db2.gz DZTWRMHOQRUFCM-CYBMUJFWSA-N 1 0 350.419 2.253 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284450327 551551739 /nfs/dbraw/zinc/55/17/39/551551739.db2.gz QWIOKKGEQWURDR-GFCCVEGCSA-N 1 0 352.410 2.414 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000498327149 561522197 /nfs/dbraw/zinc/52/21/97/561522197.db2.gz YRLRHOIHHBNHAJ-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498555135 561528146 /nfs/dbraw/zinc/52/81/46/561528146.db2.gz OSKFNUBORPVNSX-UONOGXRCSA-N 1 0 357.414 2.335 20 5 FEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c(C)c2)CC1 ZINC000285145743 551710968 /nfs/dbraw/zinc/71/09/68/551710968.db2.gz XGSCGNMAIVBFHN-UHFFFAOYSA-N 1 0 358.402 2.021 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](c1nncn1C)C(C)C ZINC000285305441 551735240 /nfs/dbraw/zinc/73/52/40/551735240.db2.gz HPWAXBGDHMJXIT-INIZCTEOSA-N 1 0 360.418 2.347 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285529760 551770329 /nfs/dbraw/zinc/77/03/29/551770329.db2.gz HGRXHRDGKQQZNY-ZIAGYGMSSA-N 1 0 355.460 2.259 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000498928054 561538354 /nfs/dbraw/zinc/53/83/54/561538354.db2.gz HUKGHZMKDQKOHO-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714587 551799883 /nfs/dbraw/zinc/79/98/83/551799883.db2.gz UCMOAUGJPZQIJM-CVEARBPZSA-N 1 0 351.403 2.229 20 5 FEBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286315540 551873104 /nfs/dbraw/zinc/87/31/04/551873104.db2.gz ZMHNFVZQRHIVFQ-UHFFFAOYSA-N 1 0 372.425 2.078 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641972 551909591 /nfs/dbraw/zinc/90/95/91/551909591.db2.gz BHUHBAZUUWLAFC-JSGCOSHPSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641983 551909598 /nfs/dbraw/zinc/90/95/98/551909598.db2.gz BHUHBAZUUWLAFC-TZMCWYRMSA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286878782 551935994 /nfs/dbraw/zinc/93/59/94/551935994.db2.gz ZFVJLWLXUICSSZ-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000287007272 551950867 /nfs/dbraw/zinc/95/08/67/551950867.db2.gz HRCMXJILVHFJNJ-WBMJQRKESA-N 1 0 361.398 2.080 20 5 FEBDRO CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287635718 552028362 /nfs/dbraw/zinc/02/83/62/552028362.db2.gz AADPMTFFZQYDCV-UHFFFAOYSA-N 1 0 362.430 2.258 20 5 FEBDRO C[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000289210150 552283235 /nfs/dbraw/zinc/28/32/35/552283235.db2.gz SLDKTBXOJBGEBJ-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO C[C@@H](CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289411569 552316864 /nfs/dbraw/zinc/31/68/64/552316864.db2.gz BMUKPYJBJUFBIX-QMMMGPOBSA-N 1 0 350.156 2.060 20 5 FEBDRO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000289519976 552334777 /nfs/dbraw/zinc/33/47/77/552334777.db2.gz NTPMWHUREMKHDG-RKDXNWHRSA-N 1 0 364.183 2.306 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289590106 552345617 /nfs/dbraw/zinc/34/56/17/552345617.db2.gz PPMWYDWUPSZWRW-ZTFGCOKTSA-N 1 0 362.426 2.368 20 5 FEBDRO CCC(=O)N[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000500495526 561575056 /nfs/dbraw/zinc/57/50/56/561575056.db2.gz UYIOMRKVGMJFKF-AWEZNQCLSA-N 1 0 362.430 2.222 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289771073 552375967 /nfs/dbraw/zinc/37/59/67/552375967.db2.gz GLBLNMGPVFLCPY-HUUCEWRRSA-N 1 0 366.805 2.131 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1OC ZINC000290283267 552453672 /nfs/dbraw/zinc/45/36/72/552453672.db2.gz ZSZXCCBQQOAWKK-ZDUSSCGKSA-N 1 0 363.414 2.074 20 5 FEBDRO C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000290539487 552495314 /nfs/dbraw/zinc/49/53/14/552495314.db2.gz DYRYQYCZHSHPBG-GXTWGEPZSA-N 1 0 355.398 2.164 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000290823817 552544205 /nfs/dbraw/zinc/54/42/05/552544205.db2.gz OYVOPIVAAWLSBN-RHSMWYFYSA-N 1 0 374.441 2.038 20 5 FEBDRO CN(CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccccc1[N+](=O)[O-] ZINC000291010808 552575741 /nfs/dbraw/zinc/57/57/41/552575741.db2.gz DAOWAKLEJXGHPQ-UHFFFAOYSA-N 1 0 356.382 2.152 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292153323 552698880 /nfs/dbraw/zinc/69/88/80/552698880.db2.gz ISINMOAQTUNOGI-IBGZPJMESA-N 1 0 358.442 2.363 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000501503907 561599130 /nfs/dbraw/zinc/59/91/30/561599130.db2.gz PNIVWPGEZWNRKA-LSDHHAIUSA-N 1 0 363.462 2.426 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000292725248 552752947 /nfs/dbraw/zinc/75/29/47/552752947.db2.gz GCUFLQFCLKGOTG-MRXNPFEDSA-N 1 0 353.444 2.010 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292882640 552768182 /nfs/dbraw/zinc/76/81/82/552768182.db2.gz UITVMIRXRMJUQN-OAHLLOKOSA-N 1 0 373.862 2.355 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292888677 552768728 /nfs/dbraw/zinc/76/87/28/552768728.db2.gz UUUGHDBVVIGWAV-INIZCTEOSA-N 1 0 353.444 2.010 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000293552428 552834742 /nfs/dbraw/zinc/83/47/42/552834742.db2.gz WSXAHFRWHRESQZ-JOYOIKCWSA-N 1 0 354.204 2.181 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000293700754 552848383 /nfs/dbraw/zinc/84/83/83/552848383.db2.gz IKNDHUQZEBQCNV-LBPRGKRZSA-N 1 0 355.460 2.261 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294282503 552893788 /nfs/dbraw/zinc/89/37/88/552893788.db2.gz ZUUNMPDNFAASMW-UHFFFAOYSA-N 1 0 351.794 2.188 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1OC ZINC000294329833 552897408 /nfs/dbraw/zinc/89/74/08/552897408.db2.gz XKUJKNKLJBBYJZ-SFHVURJKSA-N 1 0 363.414 2.170 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295111431 552960162 /nfs/dbraw/zinc/96/01/62/552960162.db2.gz LSTVULYOVQJNCP-OAHLLOKOSA-N 1 0 353.419 2.221 20 5 FEBDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295743818 553053069 /nfs/dbraw/zinc/05/30/69/553053069.db2.gz WSRUZQRLOUPRHP-CYBMUJFWSA-N 1 0 364.402 2.086 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000295784166 553058601 /nfs/dbraw/zinc/05/86/01/553058601.db2.gz JLYKUOUVHNKENF-LBPRGKRZSA-N 1 0 351.378 2.300 20 5 FEBDRO COC1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])o3)CCCC2)CC1 ZINC000502495143 561619840 /nfs/dbraw/zinc/61/98/40/561619840.db2.gz MNLJUPSCWSFQCS-UHFFFAOYSA-N 1 0 351.403 2.341 20 5 FEBDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000296645865 553192844 /nfs/dbraw/zinc/19/28/44/553192844.db2.gz VTISBSQPGOQOCH-AWEZNQCLSA-N 1 0 351.403 2.320 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000502855134 561628003 /nfs/dbraw/zinc/62/80/03/561628003.db2.gz JNOVKKNKCYTXHF-OBJOEFQTSA-N 1 0 351.403 2.071 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@@H](C)C1 ZINC000296966531 553236270 /nfs/dbraw/zinc/23/62/70/553236270.db2.gz CXHDBRYBAIPJQA-JSGCOSHPSA-N 1 0 355.460 2.165 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000297058090 553248155 /nfs/dbraw/zinc/24/81/55/553248155.db2.gz UNBQXAASLSOQEF-CYBMUJFWSA-N 1 0 372.429 2.040 20 5 FEBDRO COC(=O)Cc1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000297550127 553307772 /nfs/dbraw/zinc/30/77/72/553307772.db2.gz QTFXFUHITQIKNT-INIZCTEOSA-N 1 0 353.444 2.160 20 5 FEBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCOc2ccccc21 ZINC000503211286 561636747 /nfs/dbraw/zinc/63/67/47/561636747.db2.gz HRAYWQUMGFCLAF-UHFFFAOYSA-N 1 0 368.393 2.164 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000297912274 553356479 /nfs/dbraw/zinc/35/64/79/553356479.db2.gz PSIOHFUZYAYFLF-UHFFFAOYSA-N 1 0 364.446 2.385 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000503452813 561641789 /nfs/dbraw/zinc/64/17/89/561641789.db2.gz IDUGWWWTAFKXAM-WMLDXEAASA-N 1 0 369.487 2.272 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000298801511 553474773 /nfs/dbraw/zinc/47/47/73/553474773.db2.gz GMYCPMGRRAQZQK-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000298802281 553475107 /nfs/dbraw/zinc/47/51/07/553475107.db2.gz ZBKZQIMQUZIDHK-OAHLLOKOSA-N 1 0 374.441 2.032 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000298820726 553477340 /nfs/dbraw/zinc/47/73/40/553477340.db2.gz BJZUMONRGVIKHI-HOCLYGCPSA-N 1 0 374.441 2.235 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255051 553537279 /nfs/dbraw/zinc/53/72/79/553537279.db2.gz JXGNTAAUKYMKQG-FZKQIMNGSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000503984124 561651317 /nfs/dbraw/zinc/65/13/17/561651317.db2.gz DVCMJROHZLRTBR-UHFFFAOYSA-N 1 0 373.475 2.343 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000299369159 553554279 /nfs/dbraw/zinc/55/42/79/553554279.db2.gz RWKNZQZNHQVJGI-DOTOQJQBSA-N 1 0 369.425 2.243 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000299429764 553562118 /nfs/dbraw/zinc/56/21/18/553562118.db2.gz XOBVYGUQWGMGBK-OAHLLOKOSA-N 1 0 374.441 2.094 20 5 FEBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000299591670 553585582 /nfs/dbraw/zinc/58/55/82/553585582.db2.gz QKHJWPAWELVHOT-UHFFFAOYSA-N 1 0 363.443 2.330 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000299629330 553591828 /nfs/dbraw/zinc/59/18/28/553591828.db2.gz CBDWODFUZHFTOF-UHFFFAOYSA-N 1 0 359.430 2.080 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000299729710 553608885 /nfs/dbraw/zinc/60/88/85/553608885.db2.gz WLSUFUIENZJADC-TZMCWYRMSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1 ZINC000301083778 553620177 /nfs/dbraw/zinc/62/01/77/553620177.db2.gz IPHXPYNYNCFDBY-UHFFFAOYSA-N 1 0 369.425 2.474 20 5 FEBDRO C[C@@H]1CCC[C@](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301097496 553621571 /nfs/dbraw/zinc/62/15/71/553621571.db2.gz PVINJAXZTWJPLX-WBMJQRKESA-N 1 0 370.475 2.165 20 5 FEBDRO O=C(c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301446794 553652511 /nfs/dbraw/zinc/65/25/11/553652511.db2.gz KCHTWLQAUMNINV-MRXNPFEDSA-N 1 0 356.426 2.281 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000301730909 553675257 /nfs/dbraw/zinc/67/52/57/553675257.db2.gz XLSBJZFHYNUYKJ-GXTWGEPZSA-N 1 0 364.402 2.224 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CCc4ccccc4)CC3)nn21 ZINC000301833018 553683271 /nfs/dbraw/zinc/68/32/71/553683271.db2.gz JNCIKWAZDAFZEY-UHFFFAOYSA-N 1 0 352.398 2.002 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](Cc4ccc(F)cc4)CC3)nn21 ZINC000301857706 553686112 /nfs/dbraw/zinc/68/61/12/553686112.db2.gz ZVEBGVUCCMKZNZ-UHFFFAOYSA-N 1 0 370.388 2.489 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009818 553697597 /nfs/dbraw/zinc/69/75/97/553697597.db2.gz VVGPJABDWCNNHL-UKRRQHHQSA-N 1 0 367.413 2.355 20 5 FEBDRO C[C@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507875439 561744239 /nfs/dbraw/zinc/74/42/39/561744239.db2.gz PXPIWGHWCQZYLA-KBPBESRZSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000330837711 554177885 /nfs/dbraw/zinc/17/78/85/554177885.db2.gz XWQFOZHFAXQITM-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000331176492 554226151 /nfs/dbraw/zinc/22/61/51/554226151.db2.gz KEUMPOSVASZSPY-APHBMKBZSA-N 1 0 355.460 2.414 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331449499 554266270 /nfs/dbraw/zinc/26/62/70/554266270.db2.gz YVKVECFVVWRHLK-LLVKDONJSA-N 1 0 368.231 2.253 20 5 FEBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000509023510 561781969 /nfs/dbraw/zinc/78/19/69/561781969.db2.gz WLKOOVNHWWHJRS-FZKQIMNGSA-N 1 0 368.428 2.331 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC([NH+]3CCCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000331872468 554335642 /nfs/dbraw/zinc/33/56/42/554335642.db2.gz NGJRHIGUNSFBHZ-UHFFFAOYSA-N 1 0 363.462 2.275 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000331877365 554336961 /nfs/dbraw/zinc/33/69/61/554336961.db2.gz HWWAUELJMBXNTI-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000331906520 554344069 /nfs/dbraw/zinc/34/40/69/554344069.db2.gz KFBGKXSFOLFAFK-DAYGRLMNSA-N 1 0 350.415 2.355 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000332076800 554375430 /nfs/dbraw/zinc/37/54/30/554375430.db2.gz GMUZMSHJIKDFLT-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000332423840 554443774 /nfs/dbraw/zinc/44/37/74/554443774.db2.gz SDNODFRUDKYFSB-FQLMCAECSA-N 1 0 360.458 2.496 20 5 FEBDRO C[C@H]1C[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000510190119 561827802 /nfs/dbraw/zinc/82/78/02/561827802.db2.gz DFHDGFDUGYSFLS-RDJZCZTQSA-N 1 0 371.441 2.208 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000511243069 561862615 /nfs/dbraw/zinc/86/26/15/561862615.db2.gz VHEHPQWSKVXXSH-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO C[NH+]1CCN(c2cc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)ccn2)CC1 ZINC000351146886 554839616 /nfs/dbraw/zinc/83/96/16/554839616.db2.gz NSMZRXBVZDWULD-UHFFFAOYSA-N 1 0 356.342 2.052 20 5 FEBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000360734713 554887363 /nfs/dbraw/zinc/88/73/63/554887363.db2.gz AZTFIVQEEUSLAJ-UHFFFAOYSA-N 1 0 363.443 2.403 20 5 FEBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000360828288 554891535 /nfs/dbraw/zinc/89/15/35/554891535.db2.gz IUYYTJZEBXFWLX-WMLDXEAASA-N 1 0 361.446 2.085 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000361278176 554914095 /nfs/dbraw/zinc/91/40/95/554914095.db2.gz JNXCSIVTKRPNLH-KXJWHGQRSA-N 1 0 359.426 2.318 20 5 FEBDRO Cc1nn(C)c(NCC2([NH+]3CCN(C)CC3)CCCCCC2)c1[N+](=O)[O-] ZINC000361363973 554919011 /nfs/dbraw/zinc/91/90/11/554919011.db2.gz IXFWWHZAOFMFGX-UHFFFAOYSA-N 1 0 364.494 2.389 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)ccc1Cl ZINC000362216864 554956135 /nfs/dbraw/zinc/95/61/35/554956135.db2.gz GVGNCIYBRLCIGO-KRWDZBQOSA-N 1 0 369.849 2.219 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362863658 554994175 /nfs/dbraw/zinc/99/41/75/554994175.db2.gz VXAACCWDEPNJBP-CWRNSKLLSA-N 1 0 362.430 2.127 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000363089928 555027910 /nfs/dbraw/zinc/02/79/10/555027910.db2.gz PCTWGBAWZHQJTE-UHFFFAOYSA-N 1 0 373.369 2.317 20 5 FEBDRO Cn1cc(C[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363134192 555037691 /nfs/dbraw/zinc/03/76/91/555037691.db2.gz DDFOGBAGQPQCFW-AWEZNQCLSA-N 1 0 357.414 2.222 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000363257806 555065889 /nfs/dbraw/zinc/06/58/89/555065889.db2.gz BAFDXXXRLWUIHS-QRTARXTBSA-N 1 0 365.455 2.008 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424295 555102321 /nfs/dbraw/zinc/10/23/21/555102321.db2.gz QIXYMACANZTIAS-ZTFGCOKTSA-N 1 0 361.442 2.143 20 5 FEBDRO Cc1ccnc(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000363795550 555187722 /nfs/dbraw/zinc/18/77/22/555187722.db2.gz OMQCEGDFDAPAQU-UHFFFAOYSA-N 1 0 355.398 2.172 20 5 FEBDRO CC(C)c1ccc(C(=O)N2CCCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000363940193 555218316 /nfs/dbraw/zinc/21/83/16/555218316.db2.gz RFMDCHRZYMYYNX-UHFFFAOYSA-N 1 0 362.474 2.428 20 5 FEBDRO CN1CC[NH+](CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000364061030 555243051 /nfs/dbraw/zinc/24/30/51/555243051.db2.gz YRUGPAWBRFIXIR-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000512621219 561910565 /nfs/dbraw/zinc/91/05/65/561910565.db2.gz VMHXBKZGDNKPRK-WWGRRREGSA-N 1 0 355.460 2.287 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364962189 555451238 /nfs/dbraw/zinc/45/12/38/555451238.db2.gz UKWYGHYVAJZMHR-AWEZNQCLSA-N 1 0 354.838 2.067 20 5 FEBDRO CCc1nc(CN2C[C@@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@H]3C2)no1 ZINC000365033605 555469773 /nfs/dbraw/zinc/46/97/73/555469773.db2.gz AJFWJWKAVBJQTA-ZIAGYGMSSA-N 1 0 357.414 2.417 20 5 FEBDRO COCCN(C)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000365116291 555488887 /nfs/dbraw/zinc/48/88/87/555488887.db2.gz IRYTWJXIGXQALF-UHFFFAOYSA-N 1 0 374.445 2.106 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000366030778 555732358 /nfs/dbraw/zinc/73/23/58/555732358.db2.gz FMFFYTSPLHLDNT-QGZVFWFLSA-N 1 0 361.446 2.227 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117957 555757265 /nfs/dbraw/zinc/75/72/65/555757265.db2.gz GONYPCIZANEKEC-CJNGLKHVSA-N 1 0 355.398 2.025 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678735 561946663 /nfs/dbraw/zinc/94/66/63/561946663.db2.gz RPHXZTLOATWTNR-FSPWUOQZSA-N 1 0 355.442 2.490 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366565355 555877346 /nfs/dbraw/zinc/87/73/46/555877346.db2.gz UQEFCFNDZHIOTA-UKRRQHHQSA-N 1 0 365.434 2.123 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366571784 555879046 /nfs/dbraw/zinc/87/90/46/555879046.db2.gz RHHIQSVCCXGWLX-KGLIPLIRSA-N 1 0 365.455 2.047 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514172225 561962253 /nfs/dbraw/zinc/96/22/53/561962253.db2.gz MXPNCCYGGYAKDP-GFCCVEGCSA-N 1 0 360.336 2.365 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@]2(C1)CCCOC2 ZINC000366948087 555979287 /nfs/dbraw/zinc/97/92/87/555979287.db2.gz VKTFEWMWHLWCNH-FZKQIMNGSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1c([C@@H]2CCC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332859 556020564 /nfs/dbraw/zinc/02/05/64/556020564.db2.gz JUVSWTURYIUUMT-YJBOKZPZSA-N 1 0 360.414 2.214 20 5 FEBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000367507681 556069096 /nfs/dbraw/zinc/06/90/96/556069096.db2.gz OBUHOZVZHMKOMW-UHFFFAOYSA-N 1 0 364.365 2.074 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367527396 556074437 /nfs/dbraw/zinc/07/44/37/556074437.db2.gz NWAKHOXZWGJJNG-GXTWGEPZSA-N 1 0 353.444 2.202 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000367567776 556084804 /nfs/dbraw/zinc/08/48/04/556084804.db2.gz ZGQYUVXKHGJOJS-MRXNPFEDSA-N 1 0 371.441 2.455 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367586678 556090639 /nfs/dbraw/zinc/09/06/39/556090639.db2.gz PMSIBNGCCKOAIL-LJQANCHMSA-N 1 0 355.442 2.426 20 5 FEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000514948251 561988367 /nfs/dbraw/zinc/98/83/67/561988367.db2.gz YJOQEBGXTHGXIO-UHFFFAOYSA-N 1 0 357.414 2.342 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000367964984 556183991 /nfs/dbraw/zinc/18/39/91/556183991.db2.gz RGWDYOLTFRNVGX-UHFFFAOYSA-N 1 0 361.427 2.300 20 5 FEBDRO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000367989189 556189228 /nfs/dbraw/zinc/18/92/28/556189228.db2.gz WGYPTGUSEXHBLS-QWHCGFSZSA-N 1 0 358.423 2.400 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000368189785 556243390 /nfs/dbraw/zinc/24/33/90/556243390.db2.gz ROYCDGHQHKUQPT-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000515134431 561997600 /nfs/dbraw/zinc/99/76/00/561997600.db2.gz QJSUKLQHLYEPKJ-CQSZACIVSA-N 1 0 362.430 2.099 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000368345794 556283764 /nfs/dbraw/zinc/28/37/64/556283764.db2.gz CTTIIZSONCCWAZ-QGZVFWFLSA-N 1 0 363.458 2.331 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000515216823 562001317 /nfs/dbraw/zinc/00/13/17/562001317.db2.gz PMPBCRTVMBUXRQ-ZIAGYGMSSA-N 1 0 355.460 2.277 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000368578309 556351323 /nfs/dbraw/zinc/35/13/23/556351323.db2.gz LXFQOJIPBSOXEQ-NSHDSACASA-N 1 0 365.415 2.130 20 5 FEBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368928674 556450925 /nfs/dbraw/zinc/45/09/25/556450925.db2.gz ABZLXTVRTXGQJI-UHFFFAOYSA-N 1 0 370.409 2.496 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369082007 556499954 /nfs/dbraw/zinc/49/99/54/556499954.db2.gz VERSFPKHWBTZSB-CQSZACIVSA-N 1 0 362.430 2.420 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369308997 556570818 /nfs/dbraw/zinc/57/08/18/556570818.db2.gz DLAQCZJEFGBDKK-LKGOPFMKSA-N 1 0 372.469 2.094 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374244 556583840 /nfs/dbraw/zinc/58/38/40/556583840.db2.gz IIBCEHMCFMIEHX-KSSFIOAISA-N 1 0 363.414 2.112 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369591364 556641105 /nfs/dbraw/zinc/64/11/05/556641105.db2.gz LGYHHCTVWAPPSO-JCURWCKSSA-N 1 0 363.414 2.287 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000370048444 556766499 /nfs/dbraw/zinc/76/64/99/556766499.db2.gz AUUAITFKDNWGLO-LBPRGKRZSA-N 1 0 359.473 2.009 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000516902013 562063542 /nfs/dbraw/zinc/06/35/42/562063542.db2.gz MLKGPCZTSUAMMN-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000370764201 556961064 /nfs/dbraw/zinc/96/10/64/556961064.db2.gz WYNHMTHGVRSEOJ-IUODEOHRSA-N 1 0 367.833 2.479 20 5 FEBDRO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370830449 556982527 /nfs/dbraw/zinc/98/25/27/556982527.db2.gz NHJDQUVLAPJWQJ-MEQKGCOVSA-N 1 0 372.469 2.235 20 5 FEBDRO Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@@H+]2C)cn1 ZINC000370924323 557018001 /nfs/dbraw/zinc/01/80/01/557018001.db2.gz RMOQEVBCKPICLQ-YOEHRIQHSA-N 1 0 357.414 2.141 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371239181 557116584 /nfs/dbraw/zinc/11/65/84/557116584.db2.gz YYHMMZDWZRTUPT-YOEHRIQHSA-N 1 0 369.425 2.385 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000371339804 557152777 /nfs/dbraw/zinc/15/27/77/557152777.db2.gz XEZMRHPXMICUFG-UHFFFAOYSA-N 1 0 372.429 2.264 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4ncccc4O)CC3)nc2c1 ZINC000517582482 562093024 /nfs/dbraw/zinc/09/30/24/562093024.db2.gz FUSAASYDFLKOLJ-UHFFFAOYSA-N 1 0 368.397 2.284 20 5 FEBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)CCn1cc([N+](=O)[O-])nc1C)c1ccco1 ZINC000517612518 562093732 /nfs/dbraw/zinc/09/37/32/562093732.db2.gz KZZHVUYCRUMSAZ-GXTWGEPZSA-N 1 0 363.418 2.328 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000371531158 557211823 /nfs/dbraw/zinc/21/18/23/557211823.db2.gz UVCXNBAAIBCHBZ-ZWKOTPCHSA-N 1 0 363.458 2.285 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000371692398 557264926 /nfs/dbraw/zinc/26/49/26/557264926.db2.gz IZSJZEULPMYQLX-DLBZAZTESA-N 1 0 363.458 2.285 20 5 FEBDRO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000372115368 557383941 /nfs/dbraw/zinc/38/39/41/557383941.db2.gz GOGDNVDJHUBRFK-XYJFISCASA-N 1 0 358.442 2.076 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372175421 557400344 /nfs/dbraw/zinc/40/03/44/557400344.db2.gz IJZBNYBAURGNHX-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372408069 557463596 /nfs/dbraw/zinc/46/35/96/557463596.db2.gz FRSVXHKCMZBQGW-KSSFIOAISA-N 1 0 370.409 2.421 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372435049 557469745 /nfs/dbraw/zinc/46/97/45/557469745.db2.gz CINZWQUJLWOUPS-CYBMUJFWSA-N 1 0 353.444 2.095 20 5 FEBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722786 557547372 /nfs/dbraw/zinc/54/73/72/557547372.db2.gz BQLKSQDQTHJLMA-WBVHZDCISA-N 1 0 370.409 2.374 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000519655970 562138932 /nfs/dbraw/zinc/13/89/32/562138932.db2.gz STDUBELZBXQABX-HUUCEWRRSA-N 1 0 367.471 2.167 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000373050397 557617333 /nfs/dbraw/zinc/61/73/33/557617333.db2.gz XYAKDZQUNNHSHT-HNNXBMFYSA-N 1 0 359.474 2.027 20 5 FEBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCN2CCC1CC2 ZINC000373167111 557642768 /nfs/dbraw/zinc/64/27/68/557642768.db2.gz XIQRETUTEHUPJA-UHFFFAOYSA-N 1 0 360.233 2.339 20 5 FEBDRO C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C[NH+](C)C ZINC000373335120 557674701 /nfs/dbraw/zinc/67/47/01/557674701.db2.gz WKMNMTBPIGMBHT-ZDUSSCGKSA-N 1 0 366.466 2.114 20 5 FEBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467730 557699023 /nfs/dbraw/zinc/69/90/23/557699023.db2.gz UVEXSICZWHJXIF-CABCVRRESA-N 1 0 366.466 2.114 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471132 557699836 /nfs/dbraw/zinc/69/98/36/557699836.db2.gz KJVICLYMSZBBDF-GJZGRUSLSA-N 1 0 364.450 2.012 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000520312197 562153233 /nfs/dbraw/zinc/15/32/33/562153233.db2.gz PKJFYEFETDTYKA-MRXNPFEDSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000373762472 557753552 /nfs/dbraw/zinc/75/35/52/557753552.db2.gz XAYHHVBONZEGDH-NVXWUHKLSA-N 1 0 360.414 2.425 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000373804151 557762685 /nfs/dbraw/zinc/76/26/85/557762685.db2.gz GQXCWSOMYCJFES-FUHWJXTLSA-N 1 0 363.414 2.193 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000373939094 557791850 /nfs/dbraw/zinc/79/18/50/557791850.db2.gz QMZUDMDEIVYUPL-CHWSQXEVSA-N 1 0 363.414 2.359 20 5 FEBDRO C[NH+]1CCC2(CCCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000373987638 557801998 /nfs/dbraw/zinc/80/19/98/557801998.db2.gz YZFDPZMPOIFHBA-UHFFFAOYSA-N 1 0 373.500 2.372 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC(C)CC1 ZINC000520897876 562165789 /nfs/dbraw/zinc/16/57/89/562165789.db2.gz VKSHKXYOKAIBNE-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000374505718 557892583 /nfs/dbraw/zinc/89/25/83/557892583.db2.gz OGJJSIXQPRWABF-WQVCFCJDSA-N 1 0 360.414 2.055 20 5 FEBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598582 557904729 /nfs/dbraw/zinc/90/47/29/557904729.db2.gz XUAAWFFYIUYUDQ-OWQGQXMQSA-N 1 0 360.414 2.244 20 5 FEBDRO Cn1ccnc1[C@@H](N[C@@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717353 557920821 /nfs/dbraw/zinc/92/08/21/557920821.db2.gz MOBGDQZJPCKXPL-PBHICJAKSA-N 1 0 352.398 2.288 20 5 FEBDRO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967335 557957379 /nfs/dbraw/zinc/95/73/79/557957379.db2.gz AXXRAPNIRRJKJQ-ARFHVFGLSA-N 1 0 369.425 2.348 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000375242306 557997479 /nfs/dbraw/zinc/99/74/79/557997479.db2.gz NTLRCAHOKIHLEG-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO C[C@H](C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000376171211 558136376 /nfs/dbraw/zinc/13/63/76/558136376.db2.gz INQZTSOAXHFVEE-KCQAQPDRSA-N 1 0 365.405 2.159 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376211056 558141666 /nfs/dbraw/zinc/14/16/66/558141666.db2.gz OJQAGSLYPAVXRH-SFESLNEESA-N 1 0 355.398 2.265 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376213751 558142061 /nfs/dbraw/zinc/14/20/61/558142061.db2.gz ZTLVWXVSYHRVMZ-LQDVMPOASA-N 1 0 355.398 2.265 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000376451852 558175109 /nfs/dbraw/zinc/17/51/09/558175109.db2.gz XIRZQDCBLLTREX-KDOFPFPSSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717124 562182704 /nfs/dbraw/zinc/18/27/04/562182704.db2.gz OYXMNULIYYQLGP-VXGBXAGGSA-N 1 0 355.822 2.474 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000376983043 558247904 /nfs/dbraw/zinc/24/79/04/558247904.db2.gz PSYKWQVOCRXDDK-SJORKVTESA-N 1 0 355.394 2.431 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377389799 558331608 /nfs/dbraw/zinc/33/16/08/558331608.db2.gz IHUSTWBURATZGY-AWEZNQCLSA-N 1 0 367.413 2.493 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000377639781 558383908 /nfs/dbraw/zinc/38/39/08/558383908.db2.gz FZKMXTYFTXZVJX-HIFRSBDPSA-N 1 0 351.357 2.142 20 5 FEBDRO CN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000377645951 558385719 /nfs/dbraw/zinc/38/57/19/558385719.db2.gz GVSMJYIXTSDERD-FUHWJXTLSA-N 1 0 372.400 2.368 20 5 FEBDRO O=[N+]([O-])c1cnn(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766511 558415453 /nfs/dbraw/zinc/41/54/53/558415453.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 1 0 355.442 2.245 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000378057687 558471265 /nfs/dbraw/zinc/47/12/65/558471265.db2.gz MSZYNYKNECKURY-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378222337 558505224 /nfs/dbraw/zinc/50/52/24/558505224.db2.gz HMBRFFTZPLEPJZ-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253326 558512193 /nfs/dbraw/zinc/51/21/93/558512193.db2.gz QJKBLYBBUWHAAM-KURKYZTESA-N 1 0 361.442 2.494 20 5 FEBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000378365279 558540017 /nfs/dbraw/zinc/54/00/17/558540017.db2.gz IZIKZZBWMOVBEU-KCQAQPDRSA-N 1 0 351.451 2.192 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000378584371 558588824 /nfs/dbraw/zinc/58/88/24/558588824.db2.gz TWMCVZXSONLCIH-RVKKMQEKSA-N 1 0 367.409 2.178 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603878 558592419 /nfs/dbraw/zinc/59/24/19/558592419.db2.gz FDTZJOBXGXOLBF-HOCLYGCPSA-N 1 0 371.441 2.311 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000397275875 558624301 /nfs/dbraw/zinc/62/43/01/558624301.db2.gz PTHIWNDZLJWXJA-VWYCJHECSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1nn(C)c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397572528 558625059 /nfs/dbraw/zinc/62/50/59/558625059.db2.gz ZHMLXMVOAJHMRJ-UHFFFAOYSA-N 1 0 359.430 2.076 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000524054497 562223518 /nfs/dbraw/zinc/22/35/18/562223518.db2.gz RQWQEFAFHPMJCH-UHFFFAOYSA-N 1 0 363.414 2.359 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000408371945 558671712 /nfs/dbraw/zinc/67/17/12/558671712.db2.gz GODUSSWQSKTECD-GOEBONIOSA-N 1 0 367.471 2.262 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000524976759 562238827 /nfs/dbraw/zinc/23/88/27/562238827.db2.gz GWLLUFVWWJPLNE-LJQANCHMSA-N 1 0 370.409 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCC2CC[NH+](C)CC2)c1F ZINC000411812901 558968624 /nfs/dbraw/zinc/96/86/24/558968624.db2.gz ASQKMYWXBVNDGC-UHFFFAOYSA-N 1 0 353.394 2.133 20 5 FEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411956131 558994717 /nfs/dbraw/zinc/99/47/17/558994717.db2.gz AWVSONFDDKPQKH-LJQANCHMSA-N 1 0 355.394 2.103 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC([NH+]3CCCC3)CC2)c1F ZINC000412004982 559001601 /nfs/dbraw/zinc/00/16/01/559001601.db2.gz DUKPBPMLLCQARF-UHFFFAOYSA-N 1 0 365.405 2.372 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1F ZINC000412169208 559017992 /nfs/dbraw/zinc/01/79/92/559017992.db2.gz IATVDDRDXQVMBS-WDEREUQCSA-N 1 0 351.378 2.026 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412189292 559019273 /nfs/dbraw/zinc/01/92/73/559019273.db2.gz UPPXUBWJNFZAQE-DLBZAZTESA-N 1 0 361.442 2.050 20 5 FEBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000413574192 559117496 /nfs/dbraw/zinc/11/74/96/559117496.db2.gz NCWUFEHLQSAYPW-UHFFFAOYSA-N 1 0 369.425 2.299 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000413633512 559121598 /nfs/dbraw/zinc/12/15/98/559121598.db2.gz FDFVAOBEZFGDIN-GBESFXJTSA-N 1 0 373.453 2.412 20 5 FEBDRO CC(C)Oc1cc(C(=O)Nc2ccnn2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000413816527 559132270 /nfs/dbraw/zinc/13/22/70/559132270.db2.gz JLBXQHBUZSEXFI-UHFFFAOYSA-N 1 0 361.402 2.392 20 5 FEBDRO C[NH+]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000414119316 559149866 /nfs/dbraw/zinc/14/98/66/559149866.db2.gz CVNFFCZZXXAUNL-SFHVURJKSA-N 1 0 371.437 2.249 20 5 FEBDRO COCCNC(=O)C1([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187013 559152128 /nfs/dbraw/zinc/15/21/28/559152128.db2.gz PVMCLYKGNXMLMR-GOEBONIOSA-N 1 0 361.442 2.191 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])cc1OCC ZINC000414760602 559185925 /nfs/dbraw/zinc/18/59/25/559185925.db2.gz QZYHMVDKHMFOCU-GFCCVEGCSA-N 1 0 366.418 2.465 20 5 FEBDRO COc1cc(CN2CC[NH2+]C[C@](C)(F)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414766142 559186276 /nfs/dbraw/zinc/18/62/76/559186276.db2.gz DBAQSGVBHWWLBR-HNNXBMFYSA-N 1 0 363.336 2.338 20 5 FEBDRO COC(=O)COc1ccc(CN2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000414845129 559190562 /nfs/dbraw/zinc/19/05/62/559190562.db2.gz LQTZNNDLNPMPGY-UHFFFAOYSA-N 1 0 371.393 2.256 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C)CC(C)(C)C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415600439 559254248 /nfs/dbraw/zinc/25/42/48/559254248.db2.gz OFRIYAVUZAATPX-UHFFFAOYSA-N 1 0 352.391 2.138 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000415657826 559258813 /nfs/dbraw/zinc/25/88/13/559258813.db2.gz MWEGUBAKNPELBX-GWCFXTLKSA-N 1 0 352.391 2.228 20 5 FEBDRO Cc1c(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000415667703 559260048 /nfs/dbraw/zinc/26/00/48/559260048.db2.gz YQRAENQJZWFXAP-GDGBQDQQSA-N 1 0 355.192 2.005 20 5 FEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000415922200 559282542 /nfs/dbraw/zinc/28/25/42/559282542.db2.gz ADDNSCADXVJCNU-CQSZACIVSA-N 1 0 355.398 2.170 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415967540 559285702 /nfs/dbraw/zinc/28/57/02/559285702.db2.gz DCRFBZGICNLGCQ-UHFFFAOYSA-N 1 0 356.382 2.441 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416414986 559311351 /nfs/dbraw/zinc/31/13/51/559311351.db2.gz HARJVWKQRAUQQD-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO CC(C)(C[NH3+])NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416888376 559336747 /nfs/dbraw/zinc/33/67/47/559336747.db2.gz OTSYCVTZZKJYQU-UHFFFAOYSA-N 1 0 363.340 2.062 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417195319 559352394 /nfs/dbraw/zinc/35/23/94/559352394.db2.gz NZTNUSPPQAEWFA-HNNXBMFYSA-N 1 0 362.430 2.135 20 5 FEBDRO NC(=O)[C@H]1CCCN1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307769 559356848 /nfs/dbraw/zinc/35/68/48/559356848.db2.gz HGNSSBISLWQVJY-QZTJIDSGSA-N 1 0 360.458 2.292 20 5 FEBDRO COC(=O)c1cn(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000417334409 559358036 /nfs/dbraw/zinc/35/80/36/559358036.db2.gz RIMBQAMXRDPCQV-OAHLLOKOSA-N 1 0 359.386 2.030 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417724423 559374042 /nfs/dbraw/zinc/37/40/42/559374042.db2.gz YQDAZNXTLDBXSF-HNNXBMFYSA-N 1 0 363.462 2.476 20 5 FEBDRO COCC1(CNC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000417822251 559377695 /nfs/dbraw/zinc/37/76/95/559377695.db2.gz FJJMBOBFJZAERI-AWEZNQCLSA-N 1 0 364.446 2.280 20 5 FEBDRO [NH3+]C1(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCCC1 ZINC000418085456 559389597 /nfs/dbraw/zinc/38/95/97/559389597.db2.gz VSFUCQXNJZYPLP-UHFFFAOYSA-N 1 0 360.418 2.322 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418087224 559389727 /nfs/dbraw/zinc/38/97/27/559389727.db2.gz GKGLAJVKUXXPDS-GXSJLCMTSA-N 1 0 360.336 2.492 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751679 559413882 /nfs/dbraw/zinc/41/38/82/559413882.db2.gz RPVADBYDTPRSDK-ZFWWWQNUSA-N 1 0 368.384 2.481 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419338390 559438169 /nfs/dbraw/zinc/43/81/69/559438169.db2.gz ZGADHTVWLWGWHH-HUUCEWRRSA-N 1 0 351.447 2.269 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000419998361 559468266 /nfs/dbraw/zinc/46/82/66/559468266.db2.gz MXTBEMYNVQUSDD-NRFANRHFSA-N 1 0 367.449 2.114 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420288290 559478908 /nfs/dbraw/zinc/47/89/08/559478908.db2.gz RYVFZAQCAGJQJH-GXTWGEPZSA-N 1 0 357.414 2.489 20 5 FEBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399772 559485522 /nfs/dbraw/zinc/48/55/22/559485522.db2.gz OHVTXAPJFIMBEJ-BBRMVZONSA-N 1 0 362.430 2.006 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000420462514 559488720 /nfs/dbraw/zinc/48/87/20/559488720.db2.gz MVBWNKJCAPZDOQ-INIZCTEOSA-N 1 0 363.439 2.444 20 5 FEBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420467058 559489011 /nfs/dbraw/zinc/48/90/11/559489011.db2.gz MVWAHJWMOBAKSQ-UHFFFAOYSA-N 1 0 354.215 2.012 20 5 FEBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000421025680 559520441 /nfs/dbraw/zinc/52/04/41/559520441.db2.gz DPFILCFBLLCDOI-ZDUSSCGKSA-N 1 0 351.403 2.015 20 5 FEBDRO COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOCC1 ZINC000421039015 559521408 /nfs/dbraw/zinc/52/14/08/559521408.db2.gz VBABEUQHHVVQTK-LBPRGKRZSA-N 1 0 352.387 2.135 20 5 FEBDRO CCCN1C[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421352267 559539908 /nfs/dbraw/zinc/53/99/08/559539908.db2.gz NTDUKICUEWTCES-CQSZACIVSA-N 1 0 371.441 2.343 20 5 FEBDRO CC[C@@H](O)C[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000422082337 559564046 /nfs/dbraw/zinc/56/40/46/559564046.db2.gz FKYASDFQYFGNNL-SNVBAGLBSA-N 1 0 352.309 2.405 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1C ZINC000422552832 559594700 /nfs/dbraw/zinc/59/47/00/559594700.db2.gz IIODRIZUVXRKHR-DYEKYZERSA-N 1 0 355.460 2.206 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000423686441 559635903 /nfs/dbraw/zinc/63/59/03/559635903.db2.gz UMILGNUVJOXEIU-MRVPVSSYSA-N 1 0 353.778 2.439 20 5 FEBDRO C[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423821826 559640804 /nfs/dbraw/zinc/64/08/04/559640804.db2.gz FEEMBGWESLBWAT-CXAGYDPISA-N 1 0 357.414 2.291 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423960214 559648035 /nfs/dbraw/zinc/64/80/35/559648035.db2.gz CLHNWIYDFNFGCG-KSSFIOAISA-N 1 0 369.425 2.385 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000424014683 559650940 /nfs/dbraw/zinc/65/09/40/559650940.db2.gz VSNRPEVPZDIXHB-LSDHHAIUSA-N 1 0 358.373 2.099 20 5 FEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000424035501 559652041 /nfs/dbraw/zinc/65/20/41/559652041.db2.gz CSUTVLUIIUSWPP-OAHLLOKOSA-N 1 0 350.394 2.166 20 5 FEBDRO Nc1c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc(F)cc1[N+](=O)[O-] ZINC000424041620 559652289 /nfs/dbraw/zinc/65/22/89/559652289.db2.gz IXJMGZQSEWUNCO-UHFFFAOYSA-N 1 0 362.405 2.200 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1[N+](=O)[O-] ZINC000424042304 559652394 /nfs/dbraw/zinc/65/23/94/559652394.db2.gz KSBRBNVYQINZAH-UHFFFAOYSA-N 1 0 361.446 2.154 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCC(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000424204785 559657507 /nfs/dbraw/zinc/65/75/07/559657507.db2.gz MCXTZTSYTSFJLE-AWEZNQCLSA-N 1 0 373.365 2.100 20 5 FEBDRO CC(C)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000424226855 559658701 /nfs/dbraw/zinc/65/87/01/559658701.db2.gz PECRWAOUVGAPHC-JKSUJKDBSA-N 1 0 357.414 2.019 20 5 FEBDRO CS(=O)(=O)c1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc([N+](=O)[O-])c1 ZINC000424338543 559661614 /nfs/dbraw/zinc/66/16/14/559661614.db2.gz ANJCQVRMDIVRGI-UHFFFAOYSA-N 1 0 366.399 2.166 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000425001616 559683123 /nfs/dbraw/zinc/68/31/23/559683123.db2.gz PETFLDLXSFUMQK-UHFFFAOYSA-N 1 0 360.414 2.259 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425005748 559683181 /nfs/dbraw/zinc/68/31/81/559683181.db2.gz LSWGFYJILBWWFA-JKSUJKDBSA-N 1 0 369.425 2.158 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000425278386 559694561 /nfs/dbraw/zinc/69/45/61/559694561.db2.gz JXHBUFODRNNHHG-UHFFFAOYSA-N 1 0 351.432 2.147 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000425479548 559704547 /nfs/dbraw/zinc/70/45/47/559704547.db2.gz PXIYJSWYJQFLCU-AAEUAGOBSA-N 1 0 359.220 2.234 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000429147793 559791850 /nfs/dbraw/zinc/79/18/50/559791850.db2.gz BMUAWDNEMYTVGZ-PXAZEXFGSA-N 1 0 371.441 2.266 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000429147800 559791867 /nfs/dbraw/zinc/79/18/67/559791867.db2.gz BMUAWDNEMYTVGZ-YVEFUNNKSA-N 1 0 371.441 2.266 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312179 559795594 /nfs/dbraw/zinc/79/55/94/559795594.db2.gz OHAIYUQPNHNOQU-YPMHNXCESA-N 1 0 371.393 2.393 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429402143 559797779 /nfs/dbraw/zinc/79/77/79/559797779.db2.gz NDAULPQBAIIVNN-RCBQFDQVSA-N 1 0 363.414 2.441 20 5 FEBDRO CC[NH2+]CC1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430590565 559823869 /nfs/dbraw/zinc/82/38/69/559823869.db2.gz DFRGCMKDKUSVFW-CYBMUJFWSA-N 1 0 364.446 2.252 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430596885 559824219 /nfs/dbraw/zinc/82/42/19/559824219.db2.gz XYIVAMXKQCSQNI-IUODEOHRSA-N 1 0 350.419 2.134 20 5 FEBDRO O=C1[C@H](N2CC[NH2+]Cc3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430918243 559830339 /nfs/dbraw/zinc/83/03/39/559830339.db2.gz MEHKSQFWVXCYHB-GOSISDBHSA-N 1 0 352.394 2.310 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000432525780 559860299 /nfs/dbraw/zinc/86/02/99/559860299.db2.gz KBUIJQKWQIUNEO-SJCJKPOMSA-N 1 0 371.441 2.184 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000433017084 559870079 /nfs/dbraw/zinc/87/00/79/559870079.db2.gz XDKBEDIZCDMVIC-VBNZEHGJSA-N 1 0 351.403 2.096 20 5 FEBDRO CCOCCOC[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433064736 559870973 /nfs/dbraw/zinc/87/09/73/559870973.db2.gz CGWFGDQWERKLLT-PBHICJAKSA-N 1 0 352.431 2.321 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000433852202 559888847 /nfs/dbraw/zinc/88/88/47/559888847.db2.gz LXBPEVGLHXEBOJ-CQSZACIVSA-N 1 0 357.414 2.446 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000434035967 559892802 /nfs/dbraw/zinc/89/28/02/559892802.db2.gz KCZBWWLQSNCHOP-BETUJISGSA-N 1 0 367.450 2.061 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000434422379 559900085 /nfs/dbraw/zinc/90/00/85/559900085.db2.gz AMLZFGZZOCFXMZ-HNNXBMFYSA-N 1 0 361.398 2.128 20 5 FEBDRO C[NH2+][C@H]1CCN(Cc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000435396221 559922282 /nfs/dbraw/zinc/92/22/82/559922282.db2.gz VDMXBTBTUXMFMB-NSHDSACASA-N 1 0 363.336 2.338 20 5 FEBDRO Cc1cc(OCC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801729 559930417 /nfs/dbraw/zinc/93/04/17/559930417.db2.gz UYQNHMOIYDQBOP-QZTJIDSGSA-N 1 0 369.421 2.496 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([S@](C)=O)CCC1 ZINC000436301739 559939548 /nfs/dbraw/zinc/93/95/48/559939548.db2.gz NTJTXQUNEOCRJC-YYUOZPCZSA-N 1 0 353.444 2.203 20 5 FEBDRO COc1cccc([C@H](CNc2cccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000439127345 559988922 /nfs/dbraw/zinc/98/89/22/559988922.db2.gz AUWBLBOLQYTFFH-INIZCTEOSA-N 1 0 358.398 2.417 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000439159340 559989315 /nfs/dbraw/zinc/98/93/15/559989315.db2.gz XGFXWPZFHZRGDS-YQQAZPJKSA-N 1 0 350.415 2.083 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000439638185 559998503 /nfs/dbraw/zinc/99/85/03/559998503.db2.gz VCSRUHHPLIKPMQ-NZVBXONLSA-N 1 0 351.403 2.334 20 5 FEBDRO CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000441095439 560023589 /nfs/dbraw/zinc/02/35/89/560023589.db2.gz RCKNDMDICHUVBR-WDEREUQCSA-N 1 0 368.821 2.128 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441381177 560030567 /nfs/dbraw/zinc/03/05/67/560030567.db2.gz IPKKSQGTTZFDDD-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443331967 560080553 /nfs/dbraw/zinc/08/05/53/560080553.db2.gz WUXDLOYWSJCSEZ-WOSRLPQWSA-N 1 0 365.430 2.413 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000443811439 560093732 /nfs/dbraw/zinc/09/37/32/560093732.db2.gz OSUAHQGGZNQTFV-CYBMUJFWSA-N 1 0 353.444 2.292 20 5 FEBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000443979767 560098323 /nfs/dbraw/zinc/09/83/23/560098323.db2.gz BPCJVJKTJKWDHZ-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000444262521 560107164 /nfs/dbraw/zinc/10/71/64/560107164.db2.gz KMGPUUCUGNBMJW-QGZVFWFLSA-N 1 0 371.441 2.328 20 5 FEBDRO Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000447306796 560159807 /nfs/dbraw/zinc/15/98/07/560159807.db2.gz SGQVVNSPFKOMFI-AWEZNQCLSA-N 1 0 370.413 2.208 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000447507676 560163640 /nfs/dbraw/zinc/16/36/40/560163640.db2.gz IMJFEZRWUMZTBL-UWVGGRQHSA-N 1 0 361.320 2.406 20 5 FEBDRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447594519 560164960 /nfs/dbraw/zinc/16/49/60/560164960.db2.gz ZMCVFZFWOHLDSH-KGLIPLIRSA-N 1 0 358.464 2.080 20 5 FEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000448962757 560209078 /nfs/dbraw/zinc/20/90/78/560209078.db2.gz QRQXMBXRYVMPRH-OAHLLOKOSA-N 1 0 355.398 2.294 20 5 FEBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449102774 560215799 /nfs/dbraw/zinc/21/57/99/560215799.db2.gz LNUOHJUJJKWMSW-AWEZNQCLSA-N 1 0 357.410 2.440 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCCC12CCC2 ZINC000449145125 560217898 /nfs/dbraw/zinc/21/78/98/560217898.db2.gz WHBMQYHRVQZLSE-OAHLLOKOSA-N 1 0 353.444 2.186 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000449638585 560235230 /nfs/dbraw/zinc/23/52/30/560235230.db2.gz LFWINVQSDXAMLM-NWDGAFQWSA-N 1 0 351.403 2.249 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1SC ZINC000449658398 560235895 /nfs/dbraw/zinc/23/58/95/560235895.db2.gz AULLELVFVDZNGE-GFCCVEGCSA-N 1 0 361.370 2.052 20 5 FEBDRO Cn1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449717577 560237985 /nfs/dbraw/zinc/23/79/85/560237985.db2.gz IIVFUWPCWQKAES-LBPRGKRZSA-N 1 0 371.319 2.005 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000449883080 560244047 /nfs/dbraw/zinc/24/40/47/560244047.db2.gz YGDCQQGYQFWYCL-LLVKDONJSA-N 1 0 361.320 2.016 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450500851 560264071 /nfs/dbraw/zinc/26/40/71/560264071.db2.gz OGKSKIYEKSSNTC-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CCC(=O)c1ccc(NC[C@@H]2CCCN(CC(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000450541484 560265490 /nfs/dbraw/zinc/26/54/90/560265490.db2.gz SKFQNWMJPGGSFQ-ZDUSSCGKSA-N 1 0 363.414 2.484 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000450859556 560275988 /nfs/dbraw/zinc/27/59/88/560275988.db2.gz MZXTYVPALZVGNN-INIZCTEOSA-N 1 0 362.474 2.348 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000451221517 560294042 /nfs/dbraw/zinc/29/40/42/560294042.db2.gz JTEBZTRYAPVIKU-OKILXGFUSA-N 1 0 357.357 2.149 20 5 FEBDRO O=C1[C@H]([N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419601 560305755 /nfs/dbraw/zinc/30/57/55/560305755.db2.gz LSICWUSEHOBQGH-TVFCKZIOSA-N 1 0 359.426 2.326 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501279 560310733 /nfs/dbraw/zinc/31/07/33/560310733.db2.gz OSBPHOQGNAMEBY-VQISRLSMSA-N 1 0 351.403 2.334 20 5 FEBDRO O=c1n2ccccc2nn1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548435 560313680 /nfs/dbraw/zinc/31/36/80/560313680.db2.gz NFDANSHQOWQYMA-INIZCTEOSA-N 1 0 367.409 2.284 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606515 560317186 /nfs/dbraw/zinc/31/71/86/560317186.db2.gz LSCFIZFZICQXPT-KZNAEPCWSA-N 1 0 359.426 2.087 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691011 560322210 /nfs/dbraw/zinc/32/22/10/560322210.db2.gz BCXXHBPCWHAJGF-DTTOXWODSA-N 1 0 359.426 2.183 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[N@H+](CC)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000451734062 560325587 /nfs/dbraw/zinc/32/55/87/560325587.db2.gz WJJOSBUDCVCIOS-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734534 560325643 /nfs/dbraw/zinc/32/56/43/560325643.db2.gz WYRNEDBGKWEBKU-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451773580 560327885 /nfs/dbraw/zinc/32/78/85/560327885.db2.gz CTHCTCBKWYPVOO-OWCLPIDISA-N 1 0 361.398 2.022 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451849944 560332237 /nfs/dbraw/zinc/33/22/37/560332237.db2.gz LAPYNIVLULQCRW-INIZCTEOSA-N 1 0 369.487 2.446 20 5 FEBDRO COc1cc(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000451880785 560333921 /nfs/dbraw/zinc/33/39/21/560333921.db2.gz AEGPEUVAJQVTFF-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902927 560336032 /nfs/dbraw/zinc/33/60/32/560336032.db2.gz IOECPUIPBIQTDV-HZMBPMFUSA-N 1 0 364.320 2.227 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452055071 560348601 /nfs/dbraw/zinc/34/86/01/560348601.db2.gz BIWAWMYKFKBEPU-INIZCTEOSA-N 1 0 363.439 2.312 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)C[NH+]1CCCC1 ZINC000452093021 560350687 /nfs/dbraw/zinc/35/06/87/560350687.db2.gz FXSBQKVTVIKQGO-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO CC1(C)C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2COC[C@@H]21 ZINC000452123429 560352677 /nfs/dbraw/zinc/35/26/77/560352677.db2.gz WGODLIJPFUBNMC-DZGCQCFKSA-N 1 0 361.398 2.250 20 5 FEBDRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454223412 560435312 /nfs/dbraw/zinc/43/53/12/560435312.db2.gz VIXBTBCPRLKNRE-TXEJJXNPSA-N 1 0 354.794 2.233 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454877912 560461871 /nfs/dbraw/zinc/46/18/71/560461871.db2.gz CEBJHQUQWIZGEL-HNNXBMFYSA-N 1 0 361.377 2.203 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000454927159 560463731 /nfs/dbraw/zinc/46/37/31/560463731.db2.gz MYWOXEWHSGCMDL-AWEZNQCLSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456035078 560505165 /nfs/dbraw/zinc/50/51/65/560505165.db2.gz ANUWACJATBEMBO-BBRMVZONSA-N 1 0 369.425 2.282 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000456161130 560509172 /nfs/dbraw/zinc/50/91/72/560509172.db2.gz HXIZMTIYAXZERC-RISCZKNCSA-N 1 0 353.806 2.180 20 5 FEBDRO CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459505585 560690402 /nfs/dbraw/zinc/69/04/02/560690402.db2.gz ITTPKOSWYITJJJ-KRWDZBQOSA-N 1 0 356.426 2.370 20 5 FEBDRO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656453 560700385 /nfs/dbraw/zinc/70/03/85/560700385.db2.gz DXGJWKZQNVZBEO-ZACQAIPSSA-N 1 0 357.410 2.201 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c(Cl)c1 ZINC000459664918 560701179 /nfs/dbraw/zinc/70/11/79/560701179.db2.gz CGABEFRINWTFIW-UHFFFAOYSA-N 1 0 369.849 2.219 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000459781743 560708026 /nfs/dbraw/zinc/70/80/26/560708026.db2.gz MHXAQINMLACWMM-HZPDHXFCSA-N 1 0 364.398 2.194 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000461543057 560774965 /nfs/dbraw/zinc/77/49/65/560774965.db2.gz LXECYLCOFZVLPI-ZDUSSCGKSA-N 1 0 374.445 2.334 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000463737090 560822619 /nfs/dbraw/zinc/82/26/19/560822619.db2.gz DCCWXISGFMXXGG-HZSPNIEDSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000465994035 560877611 /nfs/dbraw/zinc/87/76/11/560877611.db2.gz YTEKBIIIBAONDB-OAHLLOKOSA-N 1 0 363.462 2.489 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000470363907 560979469 /nfs/dbraw/zinc/97/94/69/560979469.db2.gz JQWDVFOTSNTTKJ-ZDUSSCGKSA-N 1 0 352.774 2.483 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616746 560985834 /nfs/dbraw/zinc/98/58/34/560985834.db2.gz DYXGSTZQQZLVDD-UPJWGTAASA-N 1 0 373.450 2.379 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472612991 561030984 /nfs/dbraw/zinc/03/09/84/561030984.db2.gz YUBSMKPDQSKUCR-BXUZGUMPSA-N 1 0 366.393 2.004 20 5 FEBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000473534200 561052174 /nfs/dbraw/zinc/05/21/74/561052174.db2.gz VBKMGYOINPWRJI-UHFFFAOYSA-N 1 0 360.336 2.458 20 5 FEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000473786397 561057693 /nfs/dbraw/zinc/05/76/93/561057693.db2.gz RYPBHRRLPWRNRV-DLBZAZTESA-N 1 0 362.430 2.403 20 5 FEBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000473995457 561063251 /nfs/dbraw/zinc/06/32/51/561063251.db2.gz LIJWBYPOUZLUKA-ZFWWWQNUSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000474355204 561072048 /nfs/dbraw/zinc/07/20/48/561072048.db2.gz QZESBIYODTZYIV-UHFFFAOYSA-N 1 0 360.366 2.185 20 5 FEBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474926813 561085581 /nfs/dbraw/zinc/08/55/81/561085581.db2.gz BXUDEVMOGZBBFJ-CJNGLKHVSA-N 1 0 356.444 2.163 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476657810 561125446 /nfs/dbraw/zinc/12/54/46/561125446.db2.gz MHQMJEBSPNXNCD-DZGCQCFKSA-N 1 0 357.414 2.111 20 5 FEBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)(C)C[NH+](C)C ZINC000530644687 562418872 /nfs/dbraw/zinc/41/88/72/562418872.db2.gz BHMIRMVDFGLDND-LLVKDONJSA-N 1 0 351.403 2.072 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000531137276 562435870 /nfs/dbraw/zinc/43/58/70/562435870.db2.gz QNWUHQSJSJGEJI-GOEBONIOSA-N 1 0 364.446 2.488 20 5 FEBDRO C[C@@H]1CC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000532672356 562485084 /nfs/dbraw/zinc/48/50/84/562485084.db2.gz PTKNNLPJIQYETD-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000533022575 562495990 /nfs/dbraw/zinc/49/59/90/562495990.db2.gz WFGIGJSDRSDHHX-UHFFFAOYSA-N 1 0 365.430 2.094 20 5 FEBDRO COc1ccc(CC(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901244 562596148 /nfs/dbraw/zinc/59/61/48/562596148.db2.gz XJZYKCOOWPONSJ-IRXDYDNUSA-N 1 0 369.421 2.360 20 5 FEBDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000568503314 568039476 /nfs/dbraw/zinc/03/94/76/568039476.db2.gz OLKHIJJXZDGWRA-UKRRQHHQSA-N 1 0 369.425 2.089 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000603143584 568067302 /nfs/dbraw/zinc/06/73/02/568067302.db2.gz HHHKGKGDOXTMMS-DZGCQCFKSA-N 1 0 372.347 2.224 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604033958 568201853 /nfs/dbraw/zinc/20/18/53/568201853.db2.gz MIVLCPWEVPDZPF-GJZGRUSLSA-N 1 0 369.487 2.382 20 5 FEBDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541980844 568277728 /nfs/dbraw/zinc/27/77/28/568277728.db2.gz HWBXXHPGBJFYBS-QGZVFWFLSA-N 1 0 355.394 2.116 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCCC[C@@H]3CO)ncn1)C2 ZINC000569301913 568346651 /nfs/dbraw/zinc/34/66/51/568346651.db2.gz UWWKZZIXXRVAQX-OAHLLOKOSA-N 1 0 369.425 2.299 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000569422988 568401757 /nfs/dbraw/zinc/40/17/57/568401757.db2.gz JYSZQZKVAFLMPP-MRXNPFEDSA-N 1 0 372.473 2.071 20 5 FEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCCCCC1 ZINC000821581222 599283680 /nfs/dbraw/zinc/28/36/80/599283680.db2.gz GNRHOFNYSOPBGQ-UHFFFAOYSA-N 1 0 360.422 2.236 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126978 599496885 /nfs/dbraw/zinc/49/68/85/599496885.db2.gz GJLPUCNECZDIJU-NSHDSACASA-N 1 0 368.401 2.218 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809710807 674506529 /nfs/dbraw/zinc/50/65/29/674506529.db2.gz ZNFQVWVDNQFBJH-LBPRGKRZSA-N 1 0 361.851 2.152 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000689 606226371 /nfs/dbraw/zinc/22/63/71/606226371.db2.gz HXBDWLBUNZGEHF-ZIAGYGMSSA-N 1 0 357.418 2.228 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821586292 607113267 /nfs/dbraw/zinc/11/32/67/607113267.db2.gz RLIICHYFFVEPGF-UHFFFAOYSA-N 1 0 367.413 2.343 20 5 FEBDRO COc1cc(OCC(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810846732 674564959 /nfs/dbraw/zinc/56/49/59/674564959.db2.gz IKIODMTWVOHYAI-TZMCWYRMSA-N 1 0 350.371 2.152 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000812343819 674669203 /nfs/dbraw/zinc/66/92/03/674669203.db2.gz WCLQACQXMLLPQD-MNOVXSKESA-N 1 0 368.231 2.381 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](O)C(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000562871106 674818161 /nfs/dbraw/zinc/81/81/61/674818161.db2.gz CXGCRQNQEHGMCK-SECBINFHSA-N 1 0 374.262 2.260 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C(F)F ZINC000563115683 674848413 /nfs/dbraw/zinc/84/84/13/674848413.db2.gz IXLQTLUENOHWNI-VIFPVBQESA-N 1 0 371.262 2.248 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000054779596 670341279 /nfs/dbraw/zinc/34/12/79/670341279.db2.gz SRZOUJMHNFBRJQ-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000565707826 675145054 /nfs/dbraw/zinc/14/50/54/675145054.db2.gz LHUINVVNJKGEDM-AWEZNQCLSA-N 1 0 370.475 2.309 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000111635899 670859888 /nfs/dbraw/zinc/85/98/88/670859888.db2.gz QJNBRHAECCBKOE-CYBMUJFWSA-N 1 0 350.375 2.416 20 5 FEBDRO O=C(NCC1CC[NH2+]CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000572130834 670964954 /nfs/dbraw/zinc/96/49/54/670964954.db2.gz HXORZMKXCIFGKJ-UHFFFAOYSA-N 1 0 357.208 2.478 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000572595627 671021363 /nfs/dbraw/zinc/02/13/63/671021363.db2.gz RDRFIPHIMRYLSO-SLEUVZQESA-N 1 0 354.769 2.090 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572690002 671032547 /nfs/dbraw/zinc/03/25/47/671032547.db2.gz XMXKCKCFKBQVQF-CYBMUJFWSA-N 1 0 350.419 2.229 20 5 FEBDRO [NH3+]C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000572824690 671048821 /nfs/dbraw/zinc/04/88/21/671048821.db2.gz GPTRJNADFCZQSD-UHFFFAOYSA-N 1 0 350.419 2.325 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000573017889 671071778 /nfs/dbraw/zinc/07/17/78/671071778.db2.gz TZBNFWRNLFTZSV-ZDUSSCGKSA-N 1 0 363.805 2.258 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573566128 671137690 /nfs/dbraw/zinc/13/76/90/671137690.db2.gz DHKXKMRTRGRKAW-HNNXBMFYSA-N 1 0 350.419 2.098 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000817880522 675184723 /nfs/dbraw/zinc/18/47/23/675184723.db2.gz XUXMHANAKPGYNO-UTUOFQBUSA-N 1 0 354.838 2.492 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000575043334 671294680 /nfs/dbraw/zinc/29/46/80/671294680.db2.gz VKWPSNKRZHFUSX-KRWDZBQOSA-N 1 0 365.455 2.440 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000575740851 671316847 /nfs/dbraw/zinc/31/68/47/671316847.db2.gz KKHCKEKPDNSYJU-AAEUAGOBSA-N 1 0 351.403 2.249 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000576521908 671374805 /nfs/dbraw/zinc/37/48/05/671374805.db2.gz ZHWVWSBORVMCTI-CYBMUJFWSA-N 1 0 367.833 2.005 20 5 FEBDRO CC(C)[NH2+]C1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609557183 675926078 /nfs/dbraw/zinc/92/60/78/675926078.db2.gz OICJHKUBMYOBPN-UHFFFAOYSA-N 1 0 350.419 2.146 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609476722 675923341 /nfs/dbraw/zinc/92/33/41/675923341.db2.gz ZVSPYXMDXGZMHU-UHFFFAOYSA-N 1 0 351.451 2.464 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578491953 671669043 /nfs/dbraw/zinc/66/90/43/671669043.db2.gz RNHHTINERNZHJZ-UONOGXRCSA-N 1 0 353.444 2.198 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])Cc2ccc(Cl)o2)c([N+](=O)[O-])c1 ZINC000579041562 671707959 /nfs/dbraw/zinc/70/79/59/671707959.db2.gz PDNCLINNQZNYEX-UHFFFAOYSA-N 1 0 373.818 2.210 20 5 FEBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000579583450 671746567 /nfs/dbraw/zinc/74/65/67/671746567.db2.gz ULMQXZMFDOGNNW-MPGHIAIKSA-N 1 0 352.431 2.375 20 5 FEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853134 671765951 /nfs/dbraw/zinc/76/59/51/671765951.db2.gz DBSDWIGGUYYZMV-STQMWFEESA-N 1 0 352.410 2.099 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000580862442 671841069 /nfs/dbraw/zinc/84/10/69/671841069.db2.gz XDVLNQQZUYDMGZ-HNNXBMFYSA-N 1 0 373.500 2.314 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cs1 ZINC000119799909 671908939 /nfs/dbraw/zinc/90/89/39/671908939.db2.gz ZTNHCNHKSBCXDU-LBPRGKRZSA-N 1 0 359.473 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610133850 675955863 /nfs/dbraw/zinc/95/58/63/675955863.db2.gz ZPUXDFBEVISYOL-QWHCGFSZSA-N 1 0 355.460 2.307 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000581647964 671921280 /nfs/dbraw/zinc/92/12/80/671921280.db2.gz AXFXLHQUMZXWJQ-OAHLLOKOSA-N 1 0 351.403 2.120 20 5 FEBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000582300002 671987567 /nfs/dbraw/zinc/98/75/67/671987567.db2.gz UZVZNIIERVZOMW-OLZOCXBDSA-N 1 0 350.419 2.273 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000124663898 672000427 /nfs/dbraw/zinc/00/04/27/672000427.db2.gz LLADYAZCOGVVAY-UHFFFAOYSA-N 1 0 359.423 2.325 20 5 FEBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582601837 672017088 /nfs/dbraw/zinc/01/70/88/672017088.db2.gz XZTWPXNDRYHZJH-YOEHRIQHSA-N 1 0 351.447 2.045 20 5 FEBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000584168032 672162076 /nfs/dbraw/zinc/16/20/76/672162076.db2.gz PQBFDUJVCHRYCZ-UHFFFAOYSA-N 1 0 363.439 2.331 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000610661373 675987627 /nfs/dbraw/zinc/98/76/27/675987627.db2.gz HJDWYYAUFLLFBY-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1F ZINC000154288491 672213666 /nfs/dbraw/zinc/21/36/66/672213666.db2.gz QBSKTPJQBOCAJU-UHFFFAOYSA-N 1 0 359.423 2.053 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000159944676 672286850 /nfs/dbraw/zinc/28/68/50/672286850.db2.gz SCSFXTOYJXHZPV-CQSZACIVSA-N 1 0 369.487 2.063 20 5 FEBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225272 672374474 /nfs/dbraw/zinc/37/44/74/672374474.db2.gz ORFKFYJALLQPGX-CYBMUJFWSA-N 1 0 353.423 2.123 20 5 FEBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205227 676024809 /nfs/dbraw/zinc/02/48/09/676024809.db2.gz OPSSESXCCBBKRK-STQMWFEESA-N 1 0 351.403 2.289 20 5 FEBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205225 676025010 /nfs/dbraw/zinc/02/50/10/676025010.db2.gz OPSSESXCCBBKRK-OLZOCXBDSA-N 1 0 351.403 2.289 20 5 FEBDRO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000589839010 672542888 /nfs/dbraw/zinc/54/28/88/672542888.db2.gz LGPNAHMGKQMLLG-LBPRGKRZSA-N 1 0 353.369 2.360 20 5 FEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590751983 672610536 /nfs/dbraw/zinc/61/05/36/672610536.db2.gz DFVKMFDLCQAGOC-MNOVXSKESA-N 1 0 355.778 2.118 20 5 FEBDRO CCOc1cc(C(=O)N2CCN(C)C[C@@H]2CC)c([N+](=O)[O-])cc1OC ZINC000591004655 672640085 /nfs/dbraw/zinc/64/00/85/672640085.db2.gz HVNOILGYLWHJFE-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000591587595 672692277 /nfs/dbraw/zinc/69/22/77/672692277.db2.gz IJRAPXQYTVCQDY-UHFFFAOYSA-N 1 0 354.204 2.325 20 5 FEBDRO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000192641537 672696496 /nfs/dbraw/zinc/69/64/96/672696496.db2.gz JONJCRUJAOFLIY-UHFFFAOYSA-N 1 0 362.411 2.216 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000591676541 672700464 /nfs/dbraw/zinc/70/04/64/672700464.db2.gz VSJKHURUPFTZNI-RISCZKNCSA-N 1 0 351.403 2.202 20 5 FEBDRO CCOc1ccc(Cl)cc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591757277 672708470 /nfs/dbraw/zinc/70/84/70/672708470.db2.gz INTVIBIKBGYQMA-HNNXBMFYSA-N 1 0 368.821 2.037 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000194345795 672757133 /nfs/dbraw/zinc/75/71/33/672757133.db2.gz QHQVBARMSKTBLP-RYUDHWBXSA-N 1 0 359.423 2.133 20 5 FEBDRO CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000592183865 672768675 /nfs/dbraw/zinc/76/86/75/672768675.db2.gz CKRMFJFOOGFMMO-AWEZNQCLSA-N 1 0 361.320 2.104 20 5 FEBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000592381050 672794886 /nfs/dbraw/zinc/79/48/86/672794886.db2.gz ZJHAEEQBNSPEQC-UWVGGRQHSA-N 1 0 367.349 2.162 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592390106 672796133 /nfs/dbraw/zinc/79/61/33/672796133.db2.gz AWHRAUCNBFQFQH-NEPJUHHUSA-N 1 0 359.473 2.057 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000592390616 672796774 /nfs/dbraw/zinc/79/67/74/672796774.db2.gz MBCBICUTIKHZKO-CABCVRRESA-N 1 0 367.471 2.304 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592549087 672813908 /nfs/dbraw/zinc/81/39/08/672813908.db2.gz RJLNEFSAUNOUNK-DLOVCJGASA-N 1 0 359.785 2.174 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592549044 672814003 /nfs/dbraw/zinc/81/40/03/672814003.db2.gz PIAQHPCWZHOVHQ-QWRGUYRKSA-N 1 0 361.826 2.499 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000250757012 672876312 /nfs/dbraw/zinc/87/63/12/672876312.db2.gz GIZMVFQZTPADJA-ONGXEEELSA-N 1 0 357.208 2.027 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595201 672953803 /nfs/dbraw/zinc/95/38/03/672953803.db2.gz DEOYBQYTEXEMSR-UHFFFAOYSA-N 1 0 370.475 2.267 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000593666218 672974240 /nfs/dbraw/zinc/97/42/40/672974240.db2.gz MQYZKNJPJDQAQG-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483274 676084085 /nfs/dbraw/zinc/08/40/85/676084085.db2.gz NQBZGAGUFPVZAS-OLZOCXBDSA-N 1 0 353.394 2.064 20 5 FEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594044368 673024854 /nfs/dbraw/zinc/02/48/54/673024854.db2.gz QTCIVGUGVWNPTM-CJNGLKHVSA-N 1 0 351.403 2.479 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594451266 673073835 /nfs/dbraw/zinc/07/38/35/673073835.db2.gz HCNFBIDEWILQLE-WKEGUHRASA-N 1 0 355.700 2.021 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484772 673088283 /nfs/dbraw/zinc/08/82/83/673088283.db2.gz UJGOKUYLECJVGC-CABCVRRESA-N 1 0 353.444 2.198 20 5 FEBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594774323 673138221 /nfs/dbraw/zinc/13/82/21/673138221.db2.gz DEUUTLKLHLJWSY-UHFFFAOYSA-N 1 0 366.443 2.104 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594791360 673143841 /nfs/dbraw/zinc/14/38/41/673143841.db2.gz ODQOXZJRHGYSLN-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594800900 673147884 /nfs/dbraw/zinc/14/78/84/673147884.db2.gz JLQAYDGHEVKWOQ-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c([N+](=O)[O-])cc1OC ZINC000594959820 673181181 /nfs/dbraw/zinc/18/11/81/673181181.db2.gz GVASJHXAWWLPCP-RSPPDBIESA-N 1 0 356.444 2.391 20 5 FEBDRO CS(=O)(=O)CC1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595061618 673190230 /nfs/dbraw/zinc/19/02/30/673190230.db2.gz SORFEPPFDAAJOS-KBPBESRZSA-N 1 0 370.475 2.080 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC ZINC000595258451 673214366 /nfs/dbraw/zinc/21/43/66/673214366.db2.gz MJUHKNVFMNEEKF-NEPJUHHUSA-N 1 0 351.403 2.202 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595588615 673270566 /nfs/dbraw/zinc/27/05/66/673270566.db2.gz OETQBOFJBJHBIY-QGZVFWFLSA-N 1 0 350.415 2.261 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3cc(OC)c([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000596120722 673360773 /nfs/dbraw/zinc/36/07/73/673360773.db2.gz DIWYMBDDIYDTGS-ZDUSSCGKSA-N 1 0 368.865 2.473 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000596145993 673363026 /nfs/dbraw/zinc/36/30/26/673363026.db2.gz JLPIZVJGQWXTKR-QWHCGFSZSA-N 1 0 370.475 2.178 20 5 FEBDRO Nc1ccc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596210933 673368347 /nfs/dbraw/zinc/36/83/47/673368347.db2.gz RXKBEMSLYLVYES-CQSZACIVSA-N 1 0 359.455 2.602 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596305905 673375898 /nfs/dbraw/zinc/37/58/98/673375898.db2.gz CQCVNCTVYFPZND-GFCCVEGCSA-N 1 0 370.475 2.130 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596540502 673392775 /nfs/dbraw/zinc/39/27/75/673392775.db2.gz TZOIIQDLHXQIFP-ZDUSSCGKSA-N 1 0 370.247 2.393 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596638347 673399907 /nfs/dbraw/zinc/39/99/07/673399907.db2.gz SRCMAKWHXCEYGH-AWEZNQCLSA-N 1 0 351.451 2.297 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000539920402 673513340 /nfs/dbraw/zinc/51/33/40/673513340.db2.gz LLDBYFBTPKOULF-HNNXBMFYSA-N 1 0 351.447 2.343 20 5 FEBDRO CC1(C)CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540173505 673526780 /nfs/dbraw/zinc/52/67/80/673526780.db2.gz HLRXDCRGANSJDX-HNNXBMFYSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000598542569 673580771 /nfs/dbraw/zinc/58/07/71/673580771.db2.gz XYXNRZDPLYSVPR-HNNXBMFYSA-N 1 0 355.822 2.431 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610441 673590182 /nfs/dbraw/zinc/59/01/82/673590182.db2.gz BVQSOPWFICELMZ-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000542651878 673595176 /nfs/dbraw/zinc/59/51/76/673595176.db2.gz MYUYJJBBSUXSFL-CYBMUJFWSA-N 1 0 367.471 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000542750206 673601943 /nfs/dbraw/zinc/60/19/43/673601943.db2.gz AQNTUMSYAUYROU-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000598714066 673602298 /nfs/dbraw/zinc/60/22/98/673602298.db2.gz FKBYQPGNUDHWHE-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000543208300 673632719 /nfs/dbraw/zinc/63/27/19/673632719.db2.gz SJBJYCRBKXHCEI-GOEBONIOSA-N 1 0 369.487 2.173 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544271 673690063 /nfs/dbraw/zinc/69/00/63/673690063.db2.gz YRIZQZUEOMNSSI-INIZCTEOSA-N 1 0 350.415 2.357 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH+](CCCF)CC1 ZINC000599671307 673704561 /nfs/dbraw/zinc/70/45/61/673704561.db2.gz RLOLTCATSPEAMF-UHFFFAOYSA-N 1 0 352.410 2.209 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000544660454 673724072 /nfs/dbraw/zinc/72/40/72/673724072.db2.gz REPOZIHPRBMRMA-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000544659436 673724080 /nfs/dbraw/zinc/72/40/80/673724080.db2.gz QOQJNXAAOZITGO-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000599918023 673727761 /nfs/dbraw/zinc/72/77/61/673727761.db2.gz MQUPKYXVWISVOT-CQSZACIVSA-N 1 0 352.822 2.375 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000744246455 673788795 /nfs/dbraw/zinc/78/87/95/673788795.db2.gz OBLAQQFVTYQLCS-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414716 673858515 /nfs/dbraw/zinc/85/85/15/673858515.db2.gz FZDSPDOKXYNQJN-QWHCGFSZSA-N 1 0 371.434 2.290 20 5 FEBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000601555604 673880765 /nfs/dbraw/zinc/88/07/65/673880765.db2.gz YWBSWZLLUIXFIT-ZDUSSCGKSA-N 1 0 351.378 2.061 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000602510430 673907050 /nfs/dbraw/zinc/90/70/50/673907050.db2.gz IHOHJVDZHGXNBB-VIFPVBQESA-N 1 0 352.334 2.138 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541847 673907729 /nfs/dbraw/zinc/90/77/29/673907729.db2.gz REQZQTJJTQPGRP-JOYOIKCWSA-N 1 0 361.320 2.203 20 5 FEBDRO COCCN1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602547807 673907922 /nfs/dbraw/zinc/90/79/22/673907922.db2.gz PGPJRRPXWHBCCQ-VIFPVBQESA-N 1 0 364.265 2.229 20 5 FEBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CN(C)CCO1 ZINC000602576407 673908331 /nfs/dbraw/zinc/90/83/31/673908331.db2.gz NAQXLJTYPGVNGS-GZMMTYOYSA-N 1 0 364.265 2.228 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@]2(O)CCCOC2)cc1Br ZINC000602707114 673910302 /nfs/dbraw/zinc/91/03/02/673910302.db2.gz SWGVTFPERFLFDI-GFCCVEGCSA-N 1 0 365.249 2.440 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602888708 673912815 /nfs/dbraw/zinc/91/28/15/673912815.db2.gz AYYODEXRFVCCHW-IRXDYDNUSA-N 1 0 350.415 2.403 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c(F)cc1[N+](=O)[O-] ZINC000603386732 673928586 /nfs/dbraw/zinc/92/85/86/673928586.db2.gz YODXQFADFYYHNM-UHFFFAOYSA-N 1 0 371.434 2.149 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967593 675247497 /nfs/dbraw/zinc/24/74/97/675247497.db2.gz WODVGMWXKNADBR-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000819022743 675253524 /nfs/dbraw/zinc/25/35/24/675253524.db2.gz XEHTWGVBAVLUSZ-UHFFFAOYSA-N 1 0 352.460 2.334 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224358 675271277 /nfs/dbraw/zinc/27/12/77/675271277.db2.gz CJXHBWVGAWEEJH-XVWMLYKFSA-N 1 0 351.403 2.299 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000820556626 675369794 /nfs/dbraw/zinc/36/97/94/675369794.db2.gz CBYDKUMXDYBMBH-KCJUWKMLSA-N 1 0 371.235 2.104 20 5 FEBDRO CN(C[C@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000822717961 675502534 /nfs/dbraw/zinc/50/25/34/675502534.db2.gz VXRMNHQMBPTEEB-OAHLLOKOSA-N 1 0 353.419 2.254 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC1CC[NH+](C)CC1 ZINC000822961303 675519520 /nfs/dbraw/zinc/51/95/20/675519520.db2.gz XOYDKQPPXISKKC-UHFFFAOYSA-N 1 0 368.821 2.278 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000823133260 675531400 /nfs/dbraw/zinc/53/14/00/675531400.db2.gz LKKYYCONUAQVLG-SNVBAGLBSA-N 1 0 371.235 2.106 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000825669878 675663132 /nfs/dbraw/zinc/66/31/32/675663132.db2.gz DINKVALOJNTWIP-LBPRGKRZSA-N 1 0 352.410 2.403 20 5 FEBDRO Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c([N+](=O)[O-])s1 ZINC000603421789 675799120 /nfs/dbraw/zinc/79/91/20/675799120.db2.gz CLXGQSBHNWPJPS-AWEZNQCLSA-N 1 0 354.476 2.173 20 5 FEBDRO CS[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000618305598 676330055 /nfs/dbraw/zinc/33/00/55/676330055.db2.gz HZKCCTQNULOXDR-JKSUJKDBSA-N 1 0 361.471 2.483 20 5 FEBDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000619464267 676378058 /nfs/dbraw/zinc/37/80/58/676378058.db2.gz JRBXWWNPZNQZAG-KRWDZBQOSA-N 1 0 350.346 2.359 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000619498490 676381918 /nfs/dbraw/zinc/38/19/18/676381918.db2.gz MRKOBBUYQYPGMK-CHWSQXEVSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830452063 677040477 /nfs/dbraw/zinc/04/04/77/677040477.db2.gz XGFVQBVHSZPHEB-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000840209780 680807586 /nfs/dbraw/zinc/80/75/86/680807586.db2.gz BXSUTKQQXPWCBX-ZDUSSCGKSA-N 1 0 367.427 2.002 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100397 680863341 /nfs/dbraw/zinc/86/33/41/680863341.db2.gz XNXUVXJGQCRZJH-CYBMUJFWSA-N 1 0 350.810 2.136 20 5 FEBDRO CCO[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831743309 680036686 /nfs/dbraw/zinc/03/66/86/680036686.db2.gz GDJQFQKTHBEFJE-LLVKDONJSA-N 1 0 374.235 2.054 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000831785883 680042912 /nfs/dbraw/zinc/04/29/12/680042912.db2.gz RWLLMUUDTSPWNG-UHFFFAOYSA-N 1 0 355.822 2.133 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970929 680069102 /nfs/dbraw/zinc/06/91/02/680069102.db2.gz HOMJSWYRZACEBE-CYBMUJFWSA-N 1 0 352.410 2.479 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000751119152 680154867 /nfs/dbraw/zinc/15/48/67/680154867.db2.gz BWAWTNQOKTTZCK-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccc(Cl)cc1)C2 ZINC000981765191 680250651 /nfs/dbraw/zinc/25/06/51/680250651.db2.gz UCTGULISBSAFIP-HZPDHXFCSA-N 1 0 363.845 2.430 20 5 FEBDRO COc1cc(C(=O)OC[C@@H]2CN(C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000835297514 680316163 /nfs/dbraw/zinc/31/61/63/680316163.db2.gz LOOTZWBMRKOGJX-NSHDSACASA-N 1 0 356.350 2.009 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000996429712 680332314 /nfs/dbraw/zinc/33/23/14/680332314.db2.gz UBMMUFGLZPVBIL-TZMCWYRMSA-N 1 0 355.797 2.225 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)c1cccs1 ZINC000754384377 680353211 /nfs/dbraw/zinc/35/32/11/680353211.db2.gz NDLDCDSLQULKJM-ZDUSSCGKSA-N 1 0 365.411 2.317 20 5 FEBDRO CCOc1cc(C[NH2+][C@@]2(CC(=O)OC)CCCOC2)ccc1[N+](=O)[O-] ZINC000755053654 680396220 /nfs/dbraw/zinc/39/62/20/680396220.db2.gz CACKEKIMRUVXDK-QGZVFWFLSA-N 1 0 352.387 2.195 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000836089292 680419906 /nfs/dbraw/zinc/41/99/06/680419906.db2.gz WNJWURFPAKZSDK-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001005383666 680573770 /nfs/dbraw/zinc/57/37/70/680573770.db2.gz URXAQPGQXPNCIU-IAGOWNOFSA-N 1 0 365.861 2.471 20 5 FEBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837303118 680584974 /nfs/dbraw/zinc/58/49/74/680584974.db2.gz VOKASODMLWUNRL-VXNVDRBHSA-N 1 0 360.183 2.448 20 5 FEBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000838185083 680678162 /nfs/dbraw/zinc/67/81/62/680678162.db2.gz DKQLRSYLHBIPCF-INIZCTEOSA-N 1 0 363.439 2.280 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000841546747 680895248 /nfs/dbraw/zinc/89/52/48/680895248.db2.gz VDEVTCCVVGOSBD-LBPRGKRZSA-N 1 0 359.423 2.053 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000767689794 680922191 /nfs/dbraw/zinc/92/21/91/680922191.db2.gz PDAIVSABAFMHGV-CVEARBPZSA-N 1 0 364.471 2.259 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000842486295 680950716 /nfs/dbraw/zinc/95/07/16/680950716.db2.gz WZZHSZXFMGQXCN-QWRGUYRKSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000842827608 680969881 /nfs/dbraw/zinc/96/98/81/680969881.db2.gz MNZFCCIHQHOBBN-CQSZACIVSA-N 1 0 361.851 2.225 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842893120 680974034 /nfs/dbraw/zinc/97/40/34/680974034.db2.gz JYEMBRDNNIFMTO-VXGBXAGGSA-N 1 0 373.862 2.258 20 5 FEBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843104325 680987979 /nfs/dbraw/zinc/98/79/79/680987979.db2.gz FXTMHIZSOVEPRV-IVMMDQJWSA-N 1 0 366.439 2.498 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)Cc2ccncc2Cl)cc1 ZINC000843116961 680988659 /nfs/dbraw/zinc/98/86/59/680988659.db2.gz XEKQYRIOPLITLR-SJKOYZFVSA-N 1 0 365.817 2.117 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770016992 681003038 /nfs/dbraw/zinc/00/30/38/681003038.db2.gz SJOJFBYKASIJTD-UHFFFAOYSA-N 1 0 369.853 2.397 20 5 FEBDRO CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[NH2+]CC1 ZINC000843471220 681005500 /nfs/dbraw/zinc/00/55/00/681005500.db2.gz POCYLHGEGABUII-UHFFFAOYSA-N 1 0 360.183 2.368 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771140347 681043669 /nfs/dbraw/zinc/04/36/69/681043669.db2.gz LGGKVTIDDVEKQN-LBPRGKRZSA-N 1 0 369.853 2.396 20 5 FEBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000771502658 681057665 /nfs/dbraw/zinc/05/76/65/681057665.db2.gz IDTKNOPVAGKIII-LLVKDONJSA-N 1 0 363.443 2.451 20 5 FEBDRO CCOc1cc(C(=O)OC[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000845814057 681154276 /nfs/dbraw/zinc/15/42/76/681154276.db2.gz JTORVMLZUZACOS-NEPJUHHUSA-N 1 0 352.387 2.499 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000773853531 681157610 /nfs/dbraw/zinc/15/76/10/681157610.db2.gz WDBUSJSMVBVFLV-LLVKDONJSA-N 1 0 350.394 2.014 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000774537530 681201320 /nfs/dbraw/zinc/20/13/20/681201320.db2.gz VDMHMQATZLIJQG-ZIAGYGMSSA-N 1 0 371.434 2.392 20 5 FEBDRO Cc1c(C(=O)NCCC2CC[NH2+]CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000846698702 681276650 /nfs/dbraw/zinc/27/66/50/681276650.db2.gz CCUPFTGPQDIMIV-UHFFFAOYSA-N 1 0 350.375 2.239 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846747078 681285201 /nfs/dbraw/zinc/28/52/01/681285201.db2.gz KTWAIYVXPXJRIQ-HZMBPMFUSA-N 1 0 350.375 2.401 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000932907410 681325963 /nfs/dbraw/zinc/32/59/63/681325963.db2.gz DJRZFZYFGBFRKV-VIFPVBQESA-N 1 0 358.801 2.383 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000776484430 681395871 /nfs/dbraw/zinc/39/58/71/681395871.db2.gz HVLZMFQWVAZLIF-WDBKCZKBSA-N 1 0 371.821 2.359 20 5 FEBDRO CCOC(=O)N(C)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582891 681410839 /nfs/dbraw/zinc/41/08/39/681410839.db2.gz VXOIDCSAFVACLH-MRXNPFEDSA-N 1 0 351.403 2.181 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933739387 681460486 /nfs/dbraw/zinc/46/04/86/681460486.db2.gz VUVKPNSCLYMIOB-BZNIZROVSA-N 1 0 352.822 2.070 20 5 FEBDRO CN1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000933992986 681494636 /nfs/dbraw/zinc/49/46/36/681494636.db2.gz SVAMOHSVJINFPD-UHFFFAOYSA-N 1 0 371.279 2.037 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC000934384039 681562004 /nfs/dbraw/zinc/56/20/04/681562004.db2.gz BGDPFEUYKCKBSL-OAHLLOKOSA-N 1 0 354.428 2.060 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000848535925 681574014 /nfs/dbraw/zinc/57/40/14/681574014.db2.gz MALDZCZPARCEIS-QWHCGFSZSA-N 1 0 353.423 2.217 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581313 681581788 /nfs/dbraw/zinc/58/17/88/681581788.db2.gz OYNDDFUDNPWDAA-AAEUAGOBSA-N 1 0 355.341 2.309 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000848796078 681622092 /nfs/dbraw/zinc/62/20/92/681622092.db2.gz XKRCSHBMSQWIJV-ZDUSSCGKSA-N 1 0 350.375 2.194 20 5 FEBDRO O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)C1C[NH+](C2CCOCC2)C1 ZINC000913385754 685476108 /nfs/dbraw/zinc/47/61/08/685476108.db2.gz IGHFVJCGKHDDLP-UHFFFAOYSA-N 1 0 371.796 2.114 20 5 FEBDRO CC1(C)CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000935541029 681770834 /nfs/dbraw/zinc/77/08/34/681770834.db2.gz OWDVHSSWVKLOKT-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000913691772 685482292 /nfs/dbraw/zinc/48/22/92/685482292.db2.gz KAYGADQHCXPNID-UHFFFAOYSA-N 1 0 369.849 2.098 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000783313740 682134432 /nfs/dbraw/zinc/13/44/32/682134432.db2.gz XWNXDSHWPWSCRQ-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000851897480 682181089 /nfs/dbraw/zinc/18/10/89/682181089.db2.gz OXPKGRNRMFMPNE-LBPRGKRZSA-N 1 0 361.851 2.175 20 5 FEBDRO CN1CC[NH+](CC2CN(c3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000858611815 682985070 /nfs/dbraw/zinc/98/50/70/682985070.db2.gz SIHMYBWVQKBUBN-UHFFFAOYSA-N 1 0 369.263 2.041 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859364257 683093993 /nfs/dbraw/zinc/09/39/93/683093993.db2.gz FAYRCXWBOJUAHG-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO CCO[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+](C)C ZINC000926842603 683179419 /nfs/dbraw/zinc/17/94/19/683179419.db2.gz BOFHEKZDHASJCQ-ZDUSSCGKSA-N 1 0 352.435 2.096 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927040739 683202065 /nfs/dbraw/zinc/20/20/65/683202065.db2.gz YBMXQWBGRYAXNJ-WDFAYWTNSA-N 1 0 354.428 2.362 20 5 FEBDRO Cc1c(CC(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000797021246 683216240 /nfs/dbraw/zinc/21/62/40/683216240.db2.gz WTOWHGMDFXYSPA-MRXNPFEDSA-N 1 0 350.415 2.346 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227962 683325764 /nfs/dbraw/zinc/32/57/64/683325764.db2.gz BKSPMPNCOGZLSN-SECBINFHSA-N 1 0 367.830 2.396 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000920704804 683362358 /nfs/dbraw/zinc/36/23/58/683362358.db2.gz KOXCHJKYEULRCP-AWEZNQCLSA-N 1 0 352.387 2.117 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455805 683455537 /nfs/dbraw/zinc/45/55/37/683455537.db2.gz UKMFVGGJMKPOCH-WCBMZHEXSA-N 1 0 359.329 2.027 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930304578 683707949 /nfs/dbraw/zinc/70/79/49/683707949.db2.gz HWVSPOCUQZXJEI-AWEZNQCLSA-N 1 0 356.220 2.315 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930716676 683775633 /nfs/dbraw/zinc/77/56/33/683775633.db2.gz PNDMYLBLKYFGSL-HUUCEWRRSA-N 1 0 357.451 2.047 20 5 FEBDRO CS[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1[NH+]1CCCC1 ZINC000865685983 684014374 /nfs/dbraw/zinc/01/43/74/684014374.db2.gz ZYDIPFISIXODEL-JKSUJKDBSA-N 1 0 355.435 2.242 20 5 FEBDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865819302 684033267 /nfs/dbraw/zinc/03/32/67/684033267.db2.gz HZHXKLLATKNJAK-UHFFFAOYSA-N 1 0 358.236 2.356 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000866616765 684126516 /nfs/dbraw/zinc/12/65/16/684126516.db2.gz UHVNSIZFJKDYMT-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1F ZINC000866793915 684154179 /nfs/dbraw/zinc/15/41/79/684154179.db2.gz LKZZDJXDHQRPMF-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1F ZINC000867035444 684200142 /nfs/dbraw/zinc/20/01/42/684200142.db2.gz KWFDDRCRMGTMEF-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000867308471 684243644 /nfs/dbraw/zinc/24/36/44/684243644.db2.gz KBLLXHDEZMYQSZ-KCJUWKMLSA-N 1 0 365.814 2.100 20 5 FEBDRO C[NH+](C)CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000867324370 684248550 /nfs/dbraw/zinc/24/85/50/684248550.db2.gz WVCRBPJKLSQWFA-UHFFFAOYSA-N 1 0 368.242 2.084 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)cc1F ZINC000867421481 684275417 /nfs/dbraw/zinc/27/54/17/684275417.db2.gz WTNOYCMGHSFLJJ-UHFFFAOYSA-N 1 0 359.423 2.193 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1Cl ZINC000869776534 684654226 /nfs/dbraw/zinc/65/42/26/684654226.db2.gz LYBLUEJMDAFEFD-NSHDSACASA-N 1 0 355.822 2.132 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000870828997 684760429 /nfs/dbraw/zinc/76/04/29/684760429.db2.gz ZVIBYVPLKIIHTE-IJGSQOGDSA-N 1 0 354.382 2.251 20 5 FEBDRO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872030466 684916298 /nfs/dbraw/zinc/91/62/98/684916298.db2.gz FWRAULMKAZRMJC-LLVKDONJSA-N 1 0 359.423 2.056 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCS1(=O)=O ZINC000872047245 684916935 /nfs/dbraw/zinc/91/69/35/684916935.db2.gz QNWHMQJAJHWMFT-LBPRGKRZSA-N 1 0 373.500 2.393 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666112 685001311 /nfs/dbraw/zinc/00/13/11/685001311.db2.gz WSBKDGGHWILUND-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000910928808 685140310 /nfs/dbraw/zinc/14/03/10/685140310.db2.gz RVNMSEMPSVIZMR-OLZOCXBDSA-N 1 0 369.849 2.094 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280054 686347903 /nfs/dbraw/zinc/34/79/03/686347903.db2.gz FSPXAZQFKVFPQO-WCFLWFBJSA-N 1 0 353.806 2.368 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877368704 686366673 /nfs/dbraw/zinc/36/66/73/686366673.db2.gz JDAWMHWTPQDFLS-VXNVDRBHSA-N 1 0 351.712 2.457 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877369366 686367166 /nfs/dbraw/zinc/36/71/66/686367166.db2.gz YKHZSNTWKCEECA-XVKPBYJWSA-N 1 0 351.712 2.457 20 5 FEBDRO CCOc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877370138 686367632 /nfs/dbraw/zinc/36/76/32/686367632.db2.gz RCFZVXSFFLDLJU-GHMZBOCLSA-N 1 0 361.320 2.203 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000878091820 686518435 /nfs/dbraw/zinc/51/84/35/686518435.db2.gz JGVAFNSSIFNAJZ-GFCCVEGCSA-N 1 0 353.423 2.041 20 5 FEBDRO C[C@@](CO)([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000879273398 686784868 /nfs/dbraw/zinc/78/48/68/686784868.db2.gz JKEQGAXXNNGSMG-IRXDYDNUSA-N 1 0 352.337 2.404 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@]23CCCO3)cc1 ZINC000880507413 687055420 /nfs/dbraw/zinc/05/54/20/687055420.db2.gz VYSPJYSYUFUFLO-CVEARBPZSA-N 1 0 354.428 2.060 20 5 FEBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000882490857 687376634 /nfs/dbraw/zinc/37/66/34/687376634.db2.gz XVGJDIDBBMGBSN-CYBMUJFWSA-N 1 0 353.444 2.157 20 5 FEBDRO O=[N+]([O-])c1c(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc2sccn21 ZINC000882725036 687457008 /nfs/dbraw/zinc/45/70/08/687457008.db2.gz JEAFWFUPJNBIML-LBPRGKRZSA-N 1 0 351.432 2.041 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000882767241 687478691 /nfs/dbraw/zinc/47/86/91/687478691.db2.gz GYZHFABAALNUFB-UHFFFAOYSA-N 1 0 359.473 2.214 20 5 FEBDRO COc1cc(C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000883002921 687544458 /nfs/dbraw/zinc/54/44/58/687544458.db2.gz SMROFOLDLUUULX-NSHDSACASA-N 1 0 364.320 2.405 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000883307096 687605609 /nfs/dbraw/zinc/60/56/09/687605609.db2.gz MBSRRZYDHAHFMZ-JKSUJKDBSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000886900713 688337032 /nfs/dbraw/zinc/33/70/32/688337032.db2.gz FTXQGLMUAZNWOE-QGZVFWFLSA-N 1 0 367.471 2.366 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756903 688818071 /nfs/dbraw/zinc/81/80/71/688818071.db2.gz PCLNTEJVKQZZKH-ZIAGYGMSSA-N 1 0 367.833 2.228 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[NH2+]C3(CCCCC3)C2)s1 ZINC000895253088 689685157 /nfs/dbraw/zinc/68/51/57/689685157.db2.gz OAKCZBPOPYCRRP-UHFFFAOYSA-N 1 0 359.473 2.172 20 5 FEBDRO CS(=O)(=O)[C@H]1C[C@H](NCc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000895689140 689755477 /nfs/dbraw/zinc/75/54/77/689755477.db2.gz VIKJFHDWBXFDKQ-FKQCQYRASA-N 1 0 369.262 2.084 20 5 FEBDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895705789 689757029 /nfs/dbraw/zinc/75/70/29/689757029.db2.gz BPNXAQCUTGWLGW-KRWDZBQOSA-N 1 0 362.407 2.433 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000895928777 689794835 /nfs/dbraw/zinc/79/48/35/689794835.db2.gz VEDPSUFXPQEDHR-OCCSQVGLSA-N 1 0 352.387 2.146 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCCN3CCO)c(Br)c1 ZINC000897221091 689990134 /nfs/dbraw/zinc/99/01/34/689990134.db2.gz HCFNEWKXLZMYGX-HUUCEWRRSA-N 1 0 370.247 2.393 20 5 FEBDRO O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1Cl ZINC000899305775 690334330 /nfs/dbraw/zinc/33/43/30/690334330.db2.gz ZOVXQJWAKHTSRF-LBPRGKRZSA-N 1 0 352.778 2.159 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900606306 690538004 /nfs/dbraw/zinc/53/80/04/690538004.db2.gz RWDUGICMIRAZOC-LLVKDONJSA-N 1 0 359.785 2.228 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000902980864 690826692 /nfs/dbraw/zinc/82/66/92/690826692.db2.gz VNMQYEHJUWBEFT-CYBMUJFWSA-N 1 0 352.366 2.109 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000903204285 690866300 /nfs/dbraw/zinc/86/63/00/690866300.db2.gz LWYSBMKVGJXNEI-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO COc1ccc(OCCN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000903538263 690916771 /nfs/dbraw/zinc/91/67/71/690916771.db2.gz AMIWEKFLTOAKAC-NEPJUHHUSA-N 1 0 363.336 2.194 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000905359137 691108257 /nfs/dbraw/zinc/10/82/57/691108257.db2.gz KVKWVBNDOKIJSS-MRXNPFEDSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000905565059 691141839 /nfs/dbraw/zinc/14/18/39/691141839.db2.gz GBXILFHMJGQTBL-GFCCVEGCSA-N 1 0 363.439 2.460 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000906458558 691271747 /nfs/dbraw/zinc/27/17/47/691271747.db2.gz GQYUSJLTQICUNX-HUUCEWRRSA-N 1 0 367.833 2.160 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC12CC[NH+](C)CC2 ZINC000907853917 691570935 /nfs/dbraw/zinc/57/09/35/691570935.db2.gz OFWVRRIHJKKXLK-UHFFFAOYSA-N 1 0 353.444 2.016 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@@H](C)C1 ZINC000910281874 691910695 /nfs/dbraw/zinc/91/06/95/691910695.db2.gz FHLZRCMIXOFBRI-ZDUSSCGKSA-N 1 0 367.471 2.236 20 5 FEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC001164732240 720506760 /nfs/dbraw/zinc/50/67/60/720506760.db2.gz UAHRAXKVUSLIRJ-NSHDSACASA-N 1 0 350.810 2.038 20 5 FEBDRO Nc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164955494 722018976 /nfs/dbraw/zinc/01/89/76/722018976.db2.gz JIUJDHVNNROWSV-UHFFFAOYSA-N 1 0 368.441 2.460 20 5 FEBDRO C[C@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000511635221 795275535 /nfs/dbraw/zinc/27/55/35/795275535.db2.gz FBWRCMILNGFTCM-DZGCQCFKSA-N 1 0 356.430 2.102 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000022357235 539694307 /nfs/dbraw/zinc/69/43/07/539694307.db2.gz ABXIDBBXVWRFQL-UHFFFAOYSA-N 1 0 370.475 2.224 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000022555910 539696639 /nfs/dbraw/zinc/69/66/39/539696639.db2.gz ROSYQTMDXOLIST-UHFFFAOYSA-N 1 0 353.806 2.370 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000549914165 674071034 /nfs/dbraw/zinc/07/10/34/674071034.db2.gz CODHCXDDYNXUCL-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO Cc1cccc(N2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000028689945 539835026 /nfs/dbraw/zinc/83/50/26/539835026.db2.gz LRQIMBPVDVEANX-IBGZPJMESA-N 1 0 371.437 2.465 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000076268245 542252603 /nfs/dbraw/zinc/25/26/03/542252603.db2.gz JZBPKCJWWLWWCH-BETUJISGSA-N 1 0 372.429 2.188 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000041333341 540017069 /nfs/dbraw/zinc/01/70/69/540017069.db2.gz FFUTXGHKJVLSMR-INIZCTEOSA-N 1 0 364.446 2.406 20 5 FEBDRO CC[NH+]1CCN(Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000041621005 540027839 /nfs/dbraw/zinc/02/78/39/540027839.db2.gz XDKFISGQYVVMFE-UHFFFAOYSA-N 1 0 358.446 2.078 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000042509483 540064998 /nfs/dbraw/zinc/06/49/98/540064998.db2.gz LLTLUAZWSJQPAN-JTQLQIEISA-N 1 0 373.356 2.419 20 5 FEBDRO C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000046063988 540240863 /nfs/dbraw/zinc/24/08/63/540240863.db2.gz ZYJJEBXKMYQLGY-GASCZTMLSA-N 1 0 361.442 2.443 20 5 FEBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046062928 540241091 /nfs/dbraw/zinc/24/10/91/540241091.db2.gz INBACOYWFPSHPI-GOSISDBHSA-N 1 0 370.409 2.136 20 5 FEBDRO CN1CC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000046388280 540255035 /nfs/dbraw/zinc/25/50/35/540255035.db2.gz SQVMEFPRBPMWNU-SFHVURJKSA-N 1 0 371.441 2.032 20 5 FEBDRO C[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C[NH+]1CCCC1 ZINC000047920116 540334502 /nfs/dbraw/zinc/33/45/02/540334502.db2.gz GZBTVAIWOBMSGL-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO Nc1c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000048245622 540353677 /nfs/dbraw/zinc/35/36/77/540353677.db2.gz FIRJQLURAVKHFI-CQSZACIVSA-N 1 0 358.373 2.320 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Nc1ccc(F)cc1 ZINC000051424345 540433909 /nfs/dbraw/zinc/43/39/09/540433909.db2.gz CZULDJCXFYRRGI-UHFFFAOYSA-N 1 0 373.388 2.280 20 5 FEBDRO COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)cc1 ZINC000052951410 540501794 /nfs/dbraw/zinc/50/17/94/540501794.db2.gz CEYJUOMBFASNJG-QGZVFWFLSA-N 1 0 358.398 2.498 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052954618 540502053 /nfs/dbraw/zinc/50/20/53/540502053.db2.gz CJRTUHNKCSVJLG-HNNXBMFYSA-N 1 0 357.414 2.209 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000053358746 540528994 /nfs/dbraw/zinc/52/89/94/540528994.db2.gz OSQGCRHBEXQINS-HNNXBMFYSA-N 1 0 371.441 2.340 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000054779561 540609191 /nfs/dbraw/zinc/60/91/91/540609191.db2.gz ZIJUNVBLVMLNFU-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000055058141 540624400 /nfs/dbraw/zinc/62/44/00/540624400.db2.gz DPKFRAKFAGILLT-UHFFFAOYSA-N 1 0 370.409 2.489 20 5 FEBDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000055083555 540626423 /nfs/dbraw/zinc/62/64/23/540626423.db2.gz ARPWIPBVGSWIQM-UHFFFAOYSA-N 1 0 370.409 2.489 20 5 FEBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000056066298 540698899 /nfs/dbraw/zinc/69/88/99/540698899.db2.gz VJNBEAAODLLHAP-UHFFFAOYSA-N 1 0 355.460 2.385 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000056195821 540710813 /nfs/dbraw/zinc/71/08/13/540710813.db2.gz GANMACOUKWVZEV-BDAKNGLRSA-N 1 0 362.308 2.022 20 5 FEBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])cc1OC ZINC000056528146 540732089 /nfs/dbraw/zinc/73/20/89/540732089.db2.gz HDNOLXXKNCTCQZ-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000057005454 540761108 /nfs/dbraw/zinc/76/11/08/540761108.db2.gz XZIOEHORAUAGHA-UHFFFAOYSA-N 1 0 369.425 2.454 20 5 FEBDRO C[C@H]1CCC[C@](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000060452383 541112314 /nfs/dbraw/zinc/11/23/14/541112314.db2.gz PVINJAXZTWJPLX-LRDDRELGSA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1cccc(C[NH+]2CCC(NC(=O)CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000065781171 541260616 /nfs/dbraw/zinc/26/06/16/541260616.db2.gz JRWRHXOPEWBZPQ-UHFFFAOYSA-N 1 0 371.441 2.271 20 5 FEBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000065780124 541260881 /nfs/dbraw/zinc/26/08/81/541260881.db2.gz VERRYPRMORRJRX-UHFFFAOYSA-N 1 0 371.441 2.224 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066105953 541282725 /nfs/dbraw/zinc/28/27/25/541282725.db2.gz PZSMLQZLPHSXDL-GFCCVEGCSA-N 1 0 359.835 2.107 20 5 FEBDRO CC(C)[N@H+](CCn1nc2ccccn2c1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434472 541317649 /nfs/dbraw/zinc/31/76/49/541317649.db2.gz BURGUIDBTOMTSI-UHFFFAOYSA-N 1 0 355.398 2.315 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067105515 541418681 /nfs/dbraw/zinc/41/86/81/541418681.db2.gz SEWZPXSVDRFQIO-ZDUSSCGKSA-N 1 0 363.414 2.360 20 5 FEBDRO COC(=O)c1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000067265454 541437952 /nfs/dbraw/zinc/43/79/52/541437952.db2.gz ZPZXFXPHSHFNLP-UHFFFAOYSA-N 1 0 363.414 2.232 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068367475 541582823 /nfs/dbraw/zinc/58/28/23/541582823.db2.gz CQLZDBINJKGZHA-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068861432 541634810 /nfs/dbraw/zinc/63/48/10/541634810.db2.gz KALDQPUGGRSXPR-KBPBESRZSA-N 1 0 365.430 2.219 20 5 FEBDRO COc1cc(OCC(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000069125889 541661240 /nfs/dbraw/zinc/66/12/40/541661240.db2.gz XNPXGZMTZLMSMN-CQSZACIVSA-N 1 0 365.430 2.363 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000069902309 541722938 /nfs/dbraw/zinc/72/29/38/541722938.db2.gz AXAWKSLVIVDDPQ-UHFFFAOYSA-N 1 0 361.851 2.321 20 5 FEBDRO O=C(c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000073350503 541946062 /nfs/dbraw/zinc/94/60/62/541946062.db2.gz DQGVETCQVRWISM-UHFFFAOYSA-N 1 0 374.441 2.106 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000074318422 542068690 /nfs/dbraw/zinc/06/86/90/542068690.db2.gz NNYOXVOIDDXBLN-ZDUSSCGKSA-N 1 0 357.414 2.275 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000075108470 542152836 /nfs/dbraw/zinc/15/28/36/542152836.db2.gz TVSZFPCLUYRBSU-LZLYRXPVSA-N 1 0 358.442 2.263 20 5 FEBDRO CCOc1cc(C(=O)N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000075873591 542211153 /nfs/dbraw/zinc/21/11/53/542211153.db2.gz XJPMSIRVRWCFGZ-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000075924263 542215688 /nfs/dbraw/zinc/21/56/88/542215688.db2.gz BQJYOAWZSXPVAQ-OLZOCXBDSA-N 1 0 371.459 2.145 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076659894 542308134 /nfs/dbraw/zinc/30/81/34/542308134.db2.gz PLXWMHUAXDYMBM-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077815700 542422871 /nfs/dbraw/zinc/42/28/71/542422871.db2.gz ZRBLFQXRQYJISA-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000078926440 542488301 /nfs/dbraw/zinc/48/83/01/542488301.db2.gz XYYQKDAYRQGPBH-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CCC(F)(F)F ZINC000801964602 674157351 /nfs/dbraw/zinc/15/73/51/674157351.db2.gz WIIHPKTURXNIST-UHFFFAOYSA-N 1 0 366.315 2.320 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079896030 542548542 /nfs/dbraw/zinc/54/85/42/542548542.db2.gz FJJGGFQQBFMFNC-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000247419287 549331765 /nfs/dbraw/zinc/33/17/65/549331765.db2.gz NUTRKTIXJRMTJV-LRDDRELGSA-N 1 0 363.443 2.052 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000081364187 542651192 /nfs/dbraw/zinc/65/11/92/542651192.db2.gz HNCIQTHVRJTDLN-ZDUSSCGKSA-N 1 0 353.394 2.303 20 5 FEBDRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000087315653 542744923 /nfs/dbraw/zinc/74/49/23/542744923.db2.gz CCHSZMLAYRXPMU-LLVKDONJSA-N 1 0 356.220 2.110 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600728 542754480 /nfs/dbraw/zinc/75/44/80/542754480.db2.gz VDJNBLUWNGUGGX-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000089433215 542762819 /nfs/dbraw/zinc/76/28/19/542762819.db2.gz ZPRBAHYLSLJDAL-UHFFFAOYSA-N 1 0 372.429 2.328 20 5 FEBDRO Nc1c(C(=O)Nc2cnn(CC[NH+]3CCCCC3)c2)cccc1[N+](=O)[O-] ZINC000089432909 542763158 /nfs/dbraw/zinc/76/31/58/542763158.db2.gz DFROKUCHLCHRKJ-UHFFFAOYSA-N 1 0 358.402 2.112 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)c(OC)c1 ZINC000090511628 542785588 /nfs/dbraw/zinc/78/55/88/542785588.db2.gz UYBYYOFWDXFCGT-UHFFFAOYSA-N 1 0 361.398 2.296 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089963366 542779863 /nfs/dbraw/zinc/77/98/63/542779863.db2.gz WDJPRCKQLRMRLC-ROUUACIJSA-N 1 0 369.421 2.268 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003720 542901506 /nfs/dbraw/zinc/90/15/06/542901506.db2.gz LMPUSUOJQDWCCK-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093808449 542941737 /nfs/dbraw/zinc/94/17/37/542941737.db2.gz ITRVUINKZOTQKS-CYBMUJFWSA-N 1 0 357.414 2.083 20 5 FEBDRO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102420569 543069726 /nfs/dbraw/zinc/06/97/26/543069726.db2.gz MJAZHNXYJFHYIQ-UHFFFAOYSA-N 1 0 369.468 2.352 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000102489982 543071885 /nfs/dbraw/zinc/07/18/85/543071885.db2.gz CIHSKIFIGBSJHX-SCLBCKFNSA-N 1 0 365.478 2.425 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000103206334 543097153 /nfs/dbraw/zinc/09/71/53/543097153.db2.gz GIWHGFLHTKPOGG-LLVKDONJSA-N 1 0 353.444 2.397 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285320 543101103 /nfs/dbraw/zinc/10/11/03/543101103.db2.gz SVVBULWKLPMHLG-NXEZZACHSA-N 1 0 373.356 2.291 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cnn(C)c1 ZINC000103474452 543109469 /nfs/dbraw/zinc/10/94/69/543109469.db2.gz KLRHLFYMPZELCP-UHFFFAOYSA-N 1 0 361.402 2.188 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000104529401 543133912 /nfs/dbraw/zinc/13/39/12/543133912.db2.gz VBKYOURVNZSWKA-UHFFFAOYSA-N 1 0 359.430 2.440 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000106581957 543239252 /nfs/dbraw/zinc/23/92/52/543239252.db2.gz JSGSQUYFZWDRMW-NSHDSACASA-N 1 0 355.826 2.006 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000108401534 543289006 /nfs/dbraw/zinc/28/90/06/543289006.db2.gz KOKBNRFMHDQDHF-CQSZACIVSA-N 1 0 353.444 2.234 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCCCC2)CCOCC1 ZINC000109980611 543345588 /nfs/dbraw/zinc/34/55/88/543345588.db2.gz MQLZAGQXCGZPJQ-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110428446 543357289 /nfs/dbraw/zinc/35/72/89/543357289.db2.gz YHNUUSRIHRIVTF-SFHVURJKSA-N 1 0 367.409 2.346 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C)CC1 ZINC000112560663 543452396 /nfs/dbraw/zinc/45/23/96/543452396.db2.gz JPNXHYNLYWPALP-MRXNPFEDSA-N 1 0 368.865 2.250 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000116194645 543603606 /nfs/dbraw/zinc/60/36/06/543603606.db2.gz RHNMFKZVBNZJPW-UHFFFAOYSA-N 1 0 355.398 2.091 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000119850098 543672522 /nfs/dbraw/zinc/67/25/22/543672522.db2.gz BAOIONSWHWWFTK-INIZCTEOSA-N 1 0 362.430 2.015 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124328663 543814375 /nfs/dbraw/zinc/81/43/75/543814375.db2.gz QZHYAGRBVHBCOE-ZDUSSCGKSA-N 1 0 351.451 2.368 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124146651 543803284 /nfs/dbraw/zinc/80/32/84/543803284.db2.gz XRVMYGJFUQTZNQ-HNNXBMFYSA-N 1 0 362.430 2.092 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000124744541 543840509 /nfs/dbraw/zinc/84/05/09/543840509.db2.gz CASLOPHNDFBEQM-LBPRGKRZSA-N 1 0 361.489 2.460 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000124970764 543853724 /nfs/dbraw/zinc/85/37/24/543853724.db2.gz RSWQSHBHSFXZIP-PBHICJAKSA-N 1 0 374.441 2.222 20 5 FEBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000125024317 543856368 /nfs/dbraw/zinc/85/63/68/543856368.db2.gz JOCKNMWYSHTQFQ-DTWKUNHWSA-N 1 0 367.349 2.162 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000125559954 543888612 /nfs/dbraw/zinc/88/86/12/543888612.db2.gz CCACJKBCWXQYIU-RYUDHWBXSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129077099 544089612 /nfs/dbraw/zinc/08/96/12/544089612.db2.gz RRAJWBLCTLMCBJ-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131400742 544188669 /nfs/dbraw/zinc/18/86/69/544188669.db2.gz RERBFJHNCDTSBI-VIFPVBQESA-N 1 0 352.309 2.263 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131674100 544201440 /nfs/dbraw/zinc/20/14/40/544201440.db2.gz KRRSYJIEYVCJAB-CYBMUJFWSA-N 1 0 355.822 2.215 20 5 FEBDRO Nc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000133850065 544285794 /nfs/dbraw/zinc/28/57/94/544285794.db2.gz LJXLLOPJESZYCY-HOTGVXAUSA-N 1 0 368.441 2.458 20 5 FEBDRO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452704 544347401 /nfs/dbraw/zinc/34/74/01/544347401.db2.gz GOCCZKMUQRWVGK-CVEARBPZSA-N 1 0 358.398 2.070 20 5 FEBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135565244 544353392 /nfs/dbraw/zinc/35/33/92/544353392.db2.gz FPNARGLNIMPHRW-YOEHRIQHSA-N 1 0 360.414 2.077 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000150791766 544472540 /nfs/dbraw/zinc/47/25/40/544472540.db2.gz PCIOPJQWRDBUGC-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO COC(=O)c1cc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000151714367 544571867 /nfs/dbraw/zinc/57/18/67/544571867.db2.gz XMLXQJAXYPNJPP-UHFFFAOYSA-N 1 0 372.381 2.360 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000153240676 544750499 /nfs/dbraw/zinc/75/04/99/544750499.db2.gz JHOCODQYLIOCBP-UHFFFAOYSA-N 1 0 360.458 2.160 20 5 FEBDRO CC1(C)NC(=O)N(CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000153246559 544751616 /nfs/dbraw/zinc/75/16/16/544751616.db2.gz VVXDAOBDSAKVJX-UHFFFAOYSA-N 1 0 360.414 2.280 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000153308099 544759748 /nfs/dbraw/zinc/75/97/48/544759748.db2.gz RUFZKPNMLSAGPI-UHFFFAOYSA-N 1 0 358.398 2.208 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153561414 544791021 /nfs/dbraw/zinc/79/10/21/544791021.db2.gz LROMDNLDZHVBRB-GFCCVEGCSA-N 1 0 350.375 2.286 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000154319441 544890383 /nfs/dbraw/zinc/89/03/83/544890383.db2.gz RUSJSGHWRONSGN-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO CCCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178884400 327613822 /nfs/dbraw/zinc/61/38/22/327613822.db2.gz HZTRNNRXRMZSLY-CQSZACIVSA-N 1 0 367.471 2.437 20 5 FEBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980270 327619513 /nfs/dbraw/zinc/61/95/13/327619513.db2.gz FGVTXJQSQCRVFV-HZMBPMFUSA-N 1 0 361.851 2.434 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180828341 327703692 /nfs/dbraw/zinc/70/36/92/327703692.db2.gz UECGLXKBCXDETC-HNNXBMFYSA-N 1 0 371.393 2.226 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000183358016 327813580 /nfs/dbraw/zinc/81/35/80/327813580.db2.gz BZKCBHROGJPRGH-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO CC(C)(CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183480846 327820363 /nfs/dbraw/zinc/82/03/63/327820363.db2.gz KYVOVVOIEJHUFJ-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184987116 327893467 /nfs/dbraw/zinc/89/34/67/327893467.db2.gz JQLAIAJCBWZMLT-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO Nc1c(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000186608381 327970597 /nfs/dbraw/zinc/97/05/97/327970597.db2.gz KTKVHRQUBBRZQL-OAHLLOKOSA-N 1 0 369.425 2.357 20 5 FEBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186764368 327981064 /nfs/dbraw/zinc/98/10/64/327981064.db2.gz WJHPXCOSCLZVOV-ZDUSSCGKSA-N 1 0 362.411 2.324 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000187171097 328006519 /nfs/dbraw/zinc/00/65/19/328006519.db2.gz VHOWZTDTZHVFDN-BBRMVZONSA-N 1 0 370.409 2.478 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000188262274 328076645 /nfs/dbraw/zinc/07/66/45/328076645.db2.gz NBRQYOJOGBSFJT-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000188265998 328076857 /nfs/dbraw/zinc/07/68/57/328076857.db2.gz WLMIPIHXGGJPOK-UHFFFAOYSA-N 1 0 355.460 2.232 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000188266546 328076893 /nfs/dbraw/zinc/07/68/93/328076893.db2.gz ZGOMSTJLHWKNOJ-UHFFFAOYSA-N 1 0 369.487 2.275 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]3CCC2CC3)cc1SC ZINC000188607107 328098099 /nfs/dbraw/zinc/09/80/99/328098099.db2.gz QAKPGBONMXFUCH-UHFFFAOYSA-N 1 0 351.428 2.246 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189190691 328134171 /nfs/dbraw/zinc/13/41/71/328134171.db2.gz MZGVFOWIHGLWOP-AEFFLSMTSA-N 1 0 350.415 2.226 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000189555333 328154830 /nfs/dbraw/zinc/15/48/30/328154830.db2.gz FNHIQTJUGRLFMN-HUUCEWRRSA-N 1 0 351.447 2.269 20 5 FEBDRO CC[C@](C)(O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000189717644 328163992 /nfs/dbraw/zinc/16/39/92/328163992.db2.gz KUZYVNCNVQLLRH-IBGZPJMESA-N 1 0 359.426 2.420 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190007634 328181934 /nfs/dbraw/zinc/18/19/34/328181934.db2.gz QPRGCFQFURTXBC-ZIAGYGMSSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000191677032 328276887 /nfs/dbraw/zinc/27/68/87/328276887.db2.gz KKLIJYJPEJQYQQ-UGSOOPFHSA-N 1 0 369.425 2.212 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191793732 328282270 /nfs/dbraw/zinc/28/22/70/328282270.db2.gz XJPVCBQBWBJAOX-OCCSQVGLSA-N 1 0 363.414 2.363 20 5 FEBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000192221189 328307531 /nfs/dbraw/zinc/30/75/31/328307531.db2.gz LAXDACLCWWFLKQ-HNNXBMFYSA-N 1 0 359.382 2.209 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193583491 328383648 /nfs/dbraw/zinc/38/36/48/328383648.db2.gz DIMFEYNWFSOPRS-KBPBESRZSA-N 1 0 362.430 2.422 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193586476 328383800 /nfs/dbraw/zinc/38/38/00/328383800.db2.gz QDXMEOPLHIOVHB-HNNXBMFYSA-N 1 0 356.382 2.090 20 5 FEBDRO C[C@@H](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000193663604 328388437 /nfs/dbraw/zinc/38/84/37/328388437.db2.gz KKLOFFMZIYNRHA-ZDUSSCGKSA-N 1 0 358.398 2.336 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000078455423 325046440 /nfs/dbraw/zinc/04/64/40/325046440.db2.gz GHNYAMCGBPICET-ZDUSSCGKSA-N 1 0 350.419 2.477 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000078562979 325051982 /nfs/dbraw/zinc/05/19/82/325051982.db2.gz PYMDLJCPDSKZJQ-CYBMUJFWSA-N 1 0 350.419 2.335 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000078599391 325053390 /nfs/dbraw/zinc/05/33/90/325053390.db2.gz LONZBTSGOHHZRQ-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO COc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000083027193 325210282 /nfs/dbraw/zinc/21/02/82/325210282.db2.gz LGDSVSVYXZWSQT-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000087332846 325279875 /nfs/dbraw/zinc/27/98/75/325279875.db2.gz AARNRLZHYXUPLD-HNNXBMFYSA-N 1 0 361.442 2.239 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](C[NH+]4CCOCC4)C3)co2)cc1 ZINC000089905658 325341354 /nfs/dbraw/zinc/34/13/54/325341354.db2.gz VCQOBTDHGCNRPO-HNNXBMFYSA-N 1 0 372.425 2.404 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000090551951 325362787 /nfs/dbraw/zinc/36/27/87/325362787.db2.gz MZCNJYPBOIQTSW-DZGCQCFKSA-N 1 0 363.439 2.406 20 5 FEBDRO C[NH+](C)[C@H]1CC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000094000866 325451656 /nfs/dbraw/zinc/45/16/56/325451656.db2.gz HMQIWLBTZZSRKY-HOTGVXAUSA-N 1 0 360.458 2.410 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)CC1 ZINC000094123283 325453131 /nfs/dbraw/zinc/45/31/31/325453131.db2.gz YCSQSGNGMLTETB-KRWDZBQOSA-N 1 0 374.485 2.372 20 5 FEBDRO Cn1cc(C(=O)NCC2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000101522499 325469206 /nfs/dbraw/zinc/46/92/06/325469206.db2.gz OPQHEKOERDAYIC-UHFFFAOYSA-N 1 0 357.414 2.067 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC000101571205 325472484 /nfs/dbraw/zinc/47/24/84/325472484.db2.gz GZKMOEQQMBZPRL-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000102425315 325493138 /nfs/dbraw/zinc/49/31/38/325493138.db2.gz QQGCTHZSWXTRQD-QPJJXVBHSA-N 1 0 361.423 2.176 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000106929461 325616783 /nfs/dbraw/zinc/61/67/83/325616783.db2.gz KUASJBLUKIADTF-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110043158 325682441 /nfs/dbraw/zinc/68/24/41/325682441.db2.gz PDPRZWWQOVZBPD-UHFFFAOYSA-N 1 0 372.425 2.432 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([NH+]2CCCC2)CC1 ZINC000111609083 325727190 /nfs/dbraw/zinc/72/71/90/325727190.db2.gz FJDBKHGJQOVCKD-UHFFFAOYSA-N 1 0 370.409 2.137 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000114399784 325889622 /nfs/dbraw/zinc/88/96/22/325889622.db2.gz KEYBBWJXIYHMPX-HNNXBMFYSA-N 1 0 360.458 2.221 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116372092 326009992 /nfs/dbraw/zinc/00/99/92/326009992.db2.gz XONDRYFNNUABRS-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000119412611 326158925 /nfs/dbraw/zinc/15/89/25/326158925.db2.gz VSNAGQMFOKNBEO-UHFFFAOYSA-N 1 0 368.865 2.138 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119929362 326213096 /nfs/dbraw/zinc/21/30/96/326213096.db2.gz KCWWQAMFOSUSJU-QGTPRVQTSA-N 1 0 359.426 2.229 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000120273016 326245542 /nfs/dbraw/zinc/24/55/42/326245542.db2.gz JWIQBGFUIDEHEH-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120381230 326254192 /nfs/dbraw/zinc/25/41/92/326254192.db2.gz FUYIDDVCXORCQY-QGTPRVQTSA-N 1 0 359.426 2.229 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(=O)OC ZINC000120899744 326297522 /nfs/dbraw/zinc/29/75/22/326297522.db2.gz GYAANASLKRSZPF-UHFFFAOYSA-N 1 0 351.403 2.411 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000122367632 326394126 /nfs/dbraw/zinc/39/41/26/326394126.db2.gz KHYTWMHOSQBGKA-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1c(CC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000122517032 326399945 /nfs/dbraw/zinc/39/99/45/326399945.db2.gz VQZDASFGLXFHNR-INIZCTEOSA-N 1 0 361.442 2.017 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124461156 326454283 /nfs/dbraw/zinc/45/42/83/326454283.db2.gz FIJKOTKVCNRQAK-GFCCVEGCSA-N 1 0 359.473 2.071 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127415198 326506121 /nfs/dbraw/zinc/50/61/21/326506121.db2.gz NAIDFPPVZCONKK-ZDUSSCGKSA-N 1 0 362.386 2.369 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1cccs1 ZINC000127507093 326507800 /nfs/dbraw/zinc/50/78/00/326507800.db2.gz TUKIMXVTOWTVEP-LBPRGKRZSA-N 1 0 370.456 2.019 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130977079 326566782 /nfs/dbraw/zinc/56/67/82/326566782.db2.gz TWVDAJPHPZWXTL-HUUCEWRRSA-N 1 0 358.398 2.426 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000134866695 326632428 /nfs/dbraw/zinc/63/24/28/326632428.db2.gz IEZVHWFBBPKXSR-HNNXBMFYSA-N 1 0 366.849 2.100 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000160490586 326967507 /nfs/dbraw/zinc/96/75/07/326967507.db2.gz VVSVOBGYMWDSQT-CHWSQXEVSA-N 1 0 353.444 2.154 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000162723768 327032972 /nfs/dbraw/zinc/03/29/72/327032972.db2.gz JOESIMHDLACJPM-DZGCQCFKSA-N 1 0 357.414 2.443 20 5 FEBDRO [NH3+][C@@H](CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000169187569 327088113 /nfs/dbraw/zinc/08/81/13/327088113.db2.gz WOQQCDYLMHVSGP-RDJZCZTQSA-N 1 0 369.425 2.483 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170953984 327109936 /nfs/dbraw/zinc/10/99/36/327109936.db2.gz HHCKESHOBXLYFJ-GFCCVEGCSA-N 1 0 362.455 2.175 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000170962849 327110117 /nfs/dbraw/zinc/11/01/17/327110117.db2.gz SBMRWYSHDTUPTH-KRWDZBQOSA-N 1 0 361.446 2.229 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171368689 327135189 /nfs/dbraw/zinc/13/51/89/327135189.db2.gz FHEVBDGWWRBUGF-OAHLLOKOSA-N 1 0 357.414 2.447 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171440928 327139745 /nfs/dbraw/zinc/13/97/45/327139745.db2.gz KUWHZPQPBJQZQR-QGZVFWFLSA-N 1 0 355.398 2.091 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1SC ZINC000172173477 327185657 /nfs/dbraw/zinc/18/56/57/327185657.db2.gz SIZDJUZIWWJJJK-LLVKDONJSA-N 1 0 353.444 2.349 20 5 FEBDRO CN1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000172753909 327217234 /nfs/dbraw/zinc/21/72/34/327217234.db2.gz WTVQBSOGJXNHHL-UHFFFAOYSA-N 1 0 366.487 2.336 20 5 FEBDRO CN1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000172754408 327217277 /nfs/dbraw/zinc/21/72/77/327217277.db2.gz LECKMEZIFMBMEV-UHFFFAOYSA-N 1 0 374.485 2.204 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000172843153 327222001 /nfs/dbraw/zinc/22/20/01/327222001.db2.gz RFDKMDLTAREFMS-ZDUSSCGKSA-N 1 0 350.375 2.449 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173247298 327243949 /nfs/dbraw/zinc/24/39/49/327243949.db2.gz WUCDAOJAAKNXIH-PWSUYJOCSA-N 1 0 361.851 2.209 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000173842138 327288256 /nfs/dbraw/zinc/28/82/56/327288256.db2.gz RYDZKGCZXKGRLQ-UONOGXRCSA-N 1 0 353.444 2.231 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173920889 327294677 /nfs/dbraw/zinc/29/46/77/327294677.db2.gz HWPOBVHMPPAOGG-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO CCc1ccc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000174214108 327313595 /nfs/dbraw/zinc/31/35/95/327313595.db2.gz VXZWAURQLIOCSS-UHFFFAOYSA-N 1 0 374.485 2.257 20 5 FEBDRO CCc1ccc(C(=O)NCCCC[NH+]2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174229702 327314379 /nfs/dbraw/zinc/31/43/79/327314379.db2.gz CBPYKRMYKKLUOF-UHFFFAOYSA-N 1 0 362.474 2.305 20 5 FEBDRO Cc1nn(CCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000174560250 327335016 /nfs/dbraw/zinc/33/50/16/327335016.db2.gz CXHOKKBIMGOBLW-MRXNPFEDSA-N 1 0 363.462 2.133 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000174738265 327347554 /nfs/dbraw/zinc/34/75/54/327347554.db2.gz GZEDRUVYEUUTOV-OAHLLOKOSA-N 1 0 352.341 2.095 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000175085296 327373045 /nfs/dbraw/zinc/37/30/45/327373045.db2.gz XZCPQTFNLOUKEH-UHFFFAOYSA-N 1 0 362.474 2.207 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175281393 327384340 /nfs/dbraw/zinc/38/43/40/327384340.db2.gz MZZFGEMKEWTIPU-KRWDZBQOSA-N 1 0 371.441 2.162 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000176216835 327441624 /nfs/dbraw/zinc/44/16/24/327441624.db2.gz ORWMXZAZPPBIDD-AWEZNQCLSA-N 1 0 364.446 2.374 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178101192 327565240 /nfs/dbraw/zinc/56/52/40/327565240.db2.gz CQKFKQUBCHQALP-CYBMUJFWSA-N 1 0 365.455 2.111 20 5 FEBDRO C[NH2+]CCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000178333079 327579013 /nfs/dbraw/zinc/57/90/13/327579013.db2.gz AUHTZARCKRNOLL-UHFFFAOYSA-N 1 0 374.363 2.262 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000261791671 328820118 /nfs/dbraw/zinc/82/01/18/328820118.db2.gz YZQMLZGHGWBAKT-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO C[NH+](C)CCc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000264437507 329023266 /nfs/dbraw/zinc/02/32/66/329023266.db2.gz DWKKDBHPRKMMKL-UHFFFAOYSA-N 1 0 364.427 2.090 20 5 FEBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264610917 329040452 /nfs/dbraw/zinc/04/04/52/329040452.db2.gz PPQNBEJHEANSFW-CQSZACIVSA-N 1 0 363.414 2.069 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264669729 329046520 /nfs/dbraw/zinc/04/65/20/329046520.db2.gz WEUODESJLXXCHV-AWEZNQCLSA-N 1 0 358.442 2.409 20 5 FEBDRO Cc1nn(C)c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)c1[N+](=O)[O-] ZINC000265493522 329132675 /nfs/dbraw/zinc/13/26/75/329132675.db2.gz WHUVPZUOTFXUJG-JTQLQIEISA-N 1 0 363.447 2.181 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265527707 329136097 /nfs/dbraw/zinc/13/60/97/329136097.db2.gz NBTVSKKQCIBDKV-UHFFFAOYSA-N 1 0 362.821 2.402 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265965360 329177273 /nfs/dbraw/zinc/17/72/73/329177273.db2.gz RZCIJYHMBBHQEZ-CYBMUJFWSA-N 1 0 365.430 2.462 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427906 329221838 /nfs/dbraw/zinc/22/18/38/329221838.db2.gz RMRYGICSMONKMU-OAHLLOKOSA-N 1 0 357.414 2.220 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Cc3ccccc3F)CC2)c1 ZINC000266563031 329236532 /nfs/dbraw/zinc/23/65/32/329236532.db2.gz YFNVGYQCORIVIH-KRWDZBQOSA-N 1 0 362.405 2.246 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266575725 329237859 /nfs/dbraw/zinc/23/78/59/329237859.db2.gz XVMMBUJOSQZTAS-AWEZNQCLSA-N 1 0 350.419 2.229 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000266877620 329268477 /nfs/dbraw/zinc/26/84/77/329268477.db2.gz VYFFEBVPOUZERU-OAHLLOKOSA-N 1 0 362.430 2.231 20 5 FEBDRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183585 329300204 /nfs/dbraw/zinc/30/02/04/329300204.db2.gz NGSQBHMYAGXUAP-LRDDRELGSA-N 1 0 352.460 2.392 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000268101543 329385384 /nfs/dbraw/zinc/38/53/84/329385384.db2.gz IAFJMDTWOYNFCI-OAHLLOKOSA-N 1 0 364.446 2.381 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160128 329391971 /nfs/dbraw/zinc/39/19/71/329391971.db2.gz VKCRFPAIPCAGRV-AAEUAGOBSA-N 1 0 351.403 2.071 20 5 FEBDRO COc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc([N+](=O)[O-])c1OC ZINC000269191527 329495160 /nfs/dbraw/zinc/49/51/60/329495160.db2.gz IUZOSTIPMXIEAH-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000271089583 329661075 /nfs/dbraw/zinc/66/10/75/329661075.db2.gz KMARYOFWQDJUEU-UHFFFAOYSA-N 1 0 369.393 2.430 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCCO)CC1 ZINC000273021564 329830763 /nfs/dbraw/zinc/83/07/63/329830763.db2.gz SEXIJKRMYUDSKM-UHFFFAOYSA-N 1 0 365.430 2.417 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000273371154 329859510 /nfs/dbraw/zinc/85/95/10/329859510.db2.gz GRZMTLGENTXNKT-HOTGVXAUSA-N 1 0 366.393 2.233 20 5 FEBDRO COc1cc(CCNC(=O)c2c[nH+]ccc2N(C)C)c([N+](=O)[O-])cc1OC ZINC000273609684 329878831 /nfs/dbraw/zinc/87/88/31/329878831.db2.gz XUZRHAMHPJXKBL-UHFFFAOYSA-N 1 0 374.397 2.046 20 5 FEBDRO COc1ccc(NC(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000273630375 329880186 /nfs/dbraw/zinc/88/01/86/329880186.db2.gz QEXUPSCNYRHBHY-TZMCWYRMSA-N 1 0 354.432 2.113 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1 ZINC000275042248 330004624 /nfs/dbraw/zinc/00/46/24/330004624.db2.gz YGMMAAILWXGIJT-QGZVFWFLSA-N 1 0 371.441 2.436 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C(C)(C)O1 ZINC000275517579 330058384 /nfs/dbraw/zinc/05/83/84/330058384.db2.gz YPDPYLPKDBGGQX-AWEZNQCLSA-N 1 0 365.386 2.198 20 5 FEBDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000276144787 330123719 /nfs/dbraw/zinc/12/37/19/330123719.db2.gz OXWXOOPLOVQPLM-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)c2cc([N+](=O)[O-])ccc21 ZINC000279084936 330173938 /nfs/dbraw/zinc/17/39/38/330173938.db2.gz MZBZAFNRAHZZEG-IRXDYDNUSA-N 1 0 360.458 2.247 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061803 330212447 /nfs/dbraw/zinc/21/24/47/330212447.db2.gz YMBRSQDCEZAVAV-ROUUACIJSA-N 1 0 374.441 2.132 20 5 FEBDRO Cn1cc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929942 330252343 /nfs/dbraw/zinc/25/23/43/330252343.db2.gz BBCVCFHXFMVRBD-GOEBONIOSA-N 1 0 369.425 2.133 20 5 FEBDRO CSc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000186678871 518175602 /nfs/dbraw/zinc/17/56/02/518175602.db2.gz IRXICUBFKCIAMH-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000157174565 545708417 /nfs/dbraw/zinc/70/84/17/545708417.db2.gz YZAIBVLZUWKHJF-KDOFPFPSSA-N 1 0 369.425 2.337 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000157174398 545708494 /nfs/dbraw/zinc/70/84/94/545708494.db2.gz YZAIBVLZUWKHJF-RDTXWAMCSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000158155961 545830135 /nfs/dbraw/zinc/83/01/35/545830135.db2.gz LOHZILYVBWYZQQ-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000478037952 561158811 /nfs/dbraw/zinc/15/88/11/561158811.db2.gz TYKOTBLZTQTSPZ-QGZVFWFLSA-N 1 0 358.377 2.385 20 5 FEBDRO Cc1c(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478374299 561165227 /nfs/dbraw/zinc/16/52/27/561165227.db2.gz ADGPETINSSXSDU-OKILXGFUSA-N 1 0 364.446 2.202 20 5 FEBDRO COc1ccc([C@H]2[C@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000159797802 545981205 /nfs/dbraw/zinc/98/12/05/545981205.db2.gz AGFQXKIVIJOOPJ-GUYCJALGSA-N 1 0 373.413 2.139 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000160230244 546020437 /nfs/dbraw/zinc/02/04/37/546020437.db2.gz YZWFSAPQHTUJCR-ZWKOTPCHSA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160242027 546021036 /nfs/dbraw/zinc/02/10/36/546021036.db2.gz LDXXHOBATSCCNY-WBMJQRKESA-N 1 0 355.398 2.021 20 5 FEBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399905 561189065 /nfs/dbraw/zinc/18/90/65/561189065.db2.gz YCOPKDAZTDJVMX-LSDHHAIUSA-N 1 0 367.471 2.455 20 5 FEBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174657613 546301648 /nfs/dbraw/zinc/30/16/48/546301648.db2.gz ZCZIUGPFQUGVAZ-AWEZNQCLSA-N 1 0 358.320 2.303 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000175948798 546378000 /nfs/dbraw/zinc/37/80/00/546378000.db2.gz APOGZUDLNMHMAJ-UHFFFAOYSA-N 1 0 362.430 2.221 20 5 FEBDRO COc1cccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]2CCCO2)c1 ZINC000176218150 546420771 /nfs/dbraw/zinc/42/07/71/546420771.db2.gz JYYMHPSJGFURRC-QGZVFWFLSA-N 1 0 360.414 2.481 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000176674463 546475936 /nfs/dbraw/zinc/47/59/36/546475936.db2.gz IBBLOCZIMGVCJH-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO CC(C)[NH+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178934602 546877191 /nfs/dbraw/zinc/87/71/91/546877191.db2.gz RVHSXNDXCPCLPG-UHFFFAOYSA-N 1 0 357.476 2.176 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000178989976 546883729 /nfs/dbraw/zinc/88/37/29/546883729.db2.gz SQQUAUBXTOSVTD-LLVKDONJSA-N 1 0 374.363 2.484 20 5 FEBDRO COCCO[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000179350576 546936629 /nfs/dbraw/zinc/93/66/29/546936629.db2.gz BFMAKGWCGVQWCF-INIZCTEOSA-N 1 0 365.430 2.359 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000179726292 547004271 /nfs/dbraw/zinc/00/42/71/547004271.db2.gz CDFZMKRBDCWZBF-UHFFFAOYSA-N 1 0 355.398 2.091 20 5 FEBDRO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000180917175 547208582 /nfs/dbraw/zinc/20/85/82/547208582.db2.gz UMQZUNZHQJSLPH-ZDUSSCGKSA-N 1 0 354.410 2.354 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180922504 547209800 /nfs/dbraw/zinc/20/98/00/547209800.db2.gz OCXZLMFHEOWCFV-FRRDWIJNSA-N 1 0 363.414 2.420 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000181404528 547309601 /nfs/dbraw/zinc/30/96/01/547309601.db2.gz QPTVGADVVYFRRM-GXTWGEPZSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000181641194 547350264 /nfs/dbraw/zinc/35/02/64/547350264.db2.gz AOMHKWQGQWNCPD-RISCZKNCSA-N 1 0 370.452 2.142 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000182218258 547455668 /nfs/dbraw/zinc/45/56/68/547455668.db2.gz JUQJNNLSBQFNIE-VYDXJSESSA-N 1 0 360.414 2.114 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182681937 547533618 /nfs/dbraw/zinc/53/36/18/547533618.db2.gz QGBLDHADBDSANP-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182981476 547583330 /nfs/dbraw/zinc/58/33/30/547583330.db2.gz LYEQXSQICALDAI-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183291700 547633969 /nfs/dbraw/zinc/63/39/69/547633969.db2.gz NDJXJVVUTHLPTJ-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000484636768 561301701 /nfs/dbraw/zinc/30/17/01/561301701.db2.gz KKYUROMQIGTPFV-GDBMZVCRSA-N 1 0 351.403 2.015 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000183785344 547719485 /nfs/dbraw/zinc/71/94/85/547719485.db2.gz UZCJVMKWUPATGX-ZDUSSCGKSA-N 1 0 370.475 2.166 20 5 FEBDRO O=C(CC[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000184089921 547767909 /nfs/dbraw/zinc/76/79/09/547767909.db2.gz AVKBUOLZKBXRPY-UHFFFAOYSA-N 1 0 363.414 2.052 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184353562 547812456 /nfs/dbraw/zinc/81/24/56/547812456.db2.gz LVMCPFIVXMSDCF-OAHLLOKOSA-N 1 0 362.474 2.276 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000184502131 547837424 /nfs/dbraw/zinc/83/74/24/547837424.db2.gz WIUCTQDUJOSYOZ-UHFFFAOYSA-N 1 0 362.430 2.142 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000184500941 547837931 /nfs/dbraw/zinc/83/79/31/547837931.db2.gz KKFOCNOYNLIWFT-HNNXBMFYSA-N 1 0 357.476 2.381 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184989371 547913228 /nfs/dbraw/zinc/91/32/28/547913228.db2.gz CVKMRBSTEDEHOT-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185093022 547931488 /nfs/dbraw/zinc/93/14/88/547931488.db2.gz QLXOMWJYQDTCMG-UHFFFAOYSA-N 1 0 361.423 2.425 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179049 547946821 /nfs/dbraw/zinc/94/68/21/547946821.db2.gz NWKWMNUCDBMINL-OCCSQVGLSA-N 1 0 353.394 2.064 20 5 FEBDRO CCC(CC)(C[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C(=O)OC ZINC000192704992 548370725 /nfs/dbraw/zinc/37/07/25/548370725.db2.gz LUPQJSFJHPAPAP-HNNXBMFYSA-N 1 0 363.414 2.269 20 5 FEBDRO C[C@@H](O)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000194018536 548422505 /nfs/dbraw/zinc/42/25/05/548422505.db2.gz KDGOKDYYQAKLNN-VXGBXAGGSA-N 1 0 363.439 2.337 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000194876912 548544164 /nfs/dbraw/zinc/54/41/64/548544164.db2.gz QEIPBCBPDVNPGF-RDJZCZTQSA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195650575 548655360 /nfs/dbraw/zinc/65/53/60/548655360.db2.gz ZHPORMUHSNDKGG-ZIAGYGMSSA-N 1 0 372.429 2.026 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000237327743 548818814 /nfs/dbraw/zinc/81/88/14/548818814.db2.gz XBFQBQGZXUBPKV-MNOVXSKESA-N 1 0 361.851 2.305 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000237350726 548820892 /nfs/dbraw/zinc/82/08/92/548820892.db2.gz IJXGYGDXXNNBOE-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000237824157 548856342 /nfs/dbraw/zinc/85/63/42/548856342.db2.gz WKGMTPVTEGIHDY-AWEZNQCLSA-N 1 0 350.375 2.449 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245789693 548994770 /nfs/dbraw/zinc/99/47/70/548994770.db2.gz NNJIRRLODZIWLL-JKSUJKDBSA-N 1 0 369.425 2.445 20 5 FEBDRO COCCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000245833283 549000217 /nfs/dbraw/zinc/00/02/17/549000217.db2.gz GRRVBNXRKVEVNQ-UONOGXRCSA-N 1 0 351.403 2.049 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000488206647 561385990 /nfs/dbraw/zinc/38/59/90/561385990.db2.gz WRSMHRJPQUOIFA-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000245990235 549032846 /nfs/dbraw/zinc/03/28/46/549032846.db2.gz WTCBRGZCEIIFII-KBPBESRZSA-N 1 0 361.423 2.022 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246269206 549092507 /nfs/dbraw/zinc/09/25/07/549092507.db2.gz UVJGBTBJCCHEMD-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246403562 549125357 /nfs/dbraw/zinc/12/53/57/549125357.db2.gz QZBFRVSPQCYMSF-RYUDHWBXSA-N 1 0 354.838 2.459 20 5 FEBDRO CC(C)CN1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000488733494 561395686 /nfs/dbraw/zinc/39/56/86/561395686.db2.gz JTRXIMXWZYGLPT-HNNXBMFYSA-N 1 0 362.430 2.051 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000246748472 549202588 /nfs/dbraw/zinc/20/25/88/549202588.db2.gz ZRBQSYSJSDZYCU-HUUCEWRRSA-N 1 0 369.487 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246776763 549210141 /nfs/dbraw/zinc/21/01/41/549210141.db2.gz PDGXVIRWSPBNAK-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488997365 561401315 /nfs/dbraw/zinc/40/13/15/561401315.db2.gz RWAWQAGHQAZOAW-HNNXBMFYSA-N 1 0 371.441 2.442 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000247947621 549394552 /nfs/dbraw/zinc/39/45/52/549394552.db2.gz DRGMVYGFNQVMOF-TZMCWYRMSA-N 1 0 363.414 2.168 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000248053656 549404067 /nfs/dbraw/zinc/40/40/67/549404067.db2.gz OCIJFRWXAPFRQR-WBVHZDCISA-N 1 0 367.471 2.026 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248345198 549420386 /nfs/dbraw/zinc/42/03/86/549420386.db2.gz MMUHMOANZUSMDX-KBPBESRZSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248372460 549423863 /nfs/dbraw/zinc/42/38/63/549423863.db2.gz ZZGGNBJNVKALFN-UONOGXRCSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000248694573 549486504 /nfs/dbraw/zinc/48/65/04/549486504.db2.gz KKLIJYJPEJQYQQ-SCLBCKFNSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249053533 549543557 /nfs/dbraw/zinc/54/35/57/549543557.db2.gz ONTCIAYCTFWWRS-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000249808949 549630477 /nfs/dbraw/zinc/63/04/77/549630477.db2.gz XYVFPXIEROCDGS-OLMNPRSZSA-N 1 0 358.442 2.164 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000252656437 549675641 /nfs/dbraw/zinc/67/56/41/549675641.db2.gz GJSCUXJNEYMIQI-JKSUJKDBSA-N 1 0 369.425 2.337 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000255555409 549707250 /nfs/dbraw/zinc/70/72/50/549707250.db2.gz XXJNNFASJFUPRX-GPCFVJJQSA-N 1 0 359.426 2.179 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261604676 549734187 /nfs/dbraw/zinc/73/41/87/549734187.db2.gz AXQYJMPDVGLBCS-CVEARBPZSA-N 1 0 355.394 2.175 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261802480 549756435 /nfs/dbraw/zinc/75/64/35/549756435.db2.gz VYHYFHLGCKNVMO-LSDHHAIUSA-N 1 0 361.423 2.019 20 5 FEBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000261819592 549758615 /nfs/dbraw/zinc/75/86/15/549758615.db2.gz SFERUEXVUWTZSB-ZWKOTPCHSA-N 1 0 354.410 2.350 20 5 FEBDRO CCC(CC)(C[NH3+])C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000261957394 549773474 /nfs/dbraw/zinc/77/34/74/549773474.db2.gz MCOIUOBTAKPKEK-UHFFFAOYSA-N 1 0 353.419 2.036 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000263704336 549922875 /nfs/dbraw/zinc/92/28/75/549922875.db2.gz CIKJFXRJVOHFJQ-UHFFFAOYSA-N 1 0 360.414 2.307 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000263901897 549952911 /nfs/dbraw/zinc/95/29/11/549952911.db2.gz CQQMKGHAYVHHDZ-MRXNPFEDSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000269224416 550169479 /nfs/dbraw/zinc/16/94/79/550169479.db2.gz WGWSPDIXENXGRC-NVXWUHKLSA-N 1 0 362.430 2.403 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000493311709 561455475 /nfs/dbraw/zinc/45/54/75/561455475.db2.gz VCMLYHUGVUFZPJ-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000493517204 561456446 /nfs/dbraw/zinc/45/64/46/561456446.db2.gz BBGJNKBBKMLMDO-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000493537552 561456607 /nfs/dbraw/zinc/45/66/07/561456607.db2.gz WDELKDZAYUQQNC-CZUORRHYSA-N 1 0 370.409 2.074 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493657309 561457493 /nfs/dbraw/zinc/45/74/93/561457493.db2.gz MOTRQHYOHALNKO-DOTOQJQBSA-N 1 0 351.403 2.073 20 5 FEBDRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1[N+](=O)[O-] ZINC000271674547 550394219 /nfs/dbraw/zinc/39/42/19/550394219.db2.gz ITQGYSQJIVANAM-WBMJQRKESA-N 1 0 352.460 2.392 20 5 FEBDRO C[N@H+]1CC=C(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000271745398 550398978 /nfs/dbraw/zinc/39/89/78/550398978.db2.gz AQCRJYRRDCUFSR-UHFFFAOYSA-N 1 0 361.370 2.265 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272536185 550456418 /nfs/dbraw/zinc/45/64/18/550456418.db2.gz OBPJSYKKFQISGQ-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494637006 561473107 /nfs/dbraw/zinc/47/31/07/561473107.db2.gz ZNQUNHJPZKUMDQ-LSDHHAIUSA-N 1 0 361.423 2.393 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277031885 550624253 /nfs/dbraw/zinc/62/42/53/550624253.db2.gz CPUYWRVQVHVEOR-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCO1 ZINC000277753447 550710276 /nfs/dbraw/zinc/71/02/76/550710276.db2.gz YWKAPPDTIFQJIB-CYBMUJFWSA-N 1 0 360.414 2.307 20 5 FEBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000277810197 550716652 /nfs/dbraw/zinc/71/66/52/550716652.db2.gz QBHXTTPQJJTTHM-UHFFFAOYSA-N 1 0 359.386 2.269 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000278027245 550740553 /nfs/dbraw/zinc/74/05/53/550740553.db2.gz QTJJGPJVDZJYOS-CYBMUJFWSA-N 1 0 367.833 2.351 20 5 FEBDRO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000278345593 550775479 /nfs/dbraw/zinc/77/54/79/550775479.db2.gz JGZXYWRFMZHAEB-SNVBAGLBSA-N 1 0 362.352 2.290 20 5 FEBDRO COc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000278605430 550803679 /nfs/dbraw/zinc/80/36/79/550803679.db2.gz IUVPAGHSBJFPJF-ZDUSSCGKSA-N 1 0 367.421 2.428 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000278721425 550814818 /nfs/dbraw/zinc/81/48/18/550814818.db2.gz PSAVPFAUDMIKND-ZDUSSCGKSA-N 1 0 372.429 2.098 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000279288145 550873806 /nfs/dbraw/zinc/87/38/06/550873806.db2.gz XTUQTIXODABFLO-ZDUSSCGKSA-N 1 0 358.373 2.320 20 5 FEBDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)n1C ZINC000279597583 550907078 /nfs/dbraw/zinc/90/70/78/550907078.db2.gz VXVRYLGAQXTQOV-GFCCVEGCSA-N 1 0 358.398 2.109 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280246428 550974205 /nfs/dbraw/zinc/97/42/05/550974205.db2.gz BGSMMIDVZRAQRN-KBXCAEBGSA-N 1 0 363.414 2.112 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CCC1)[C@H](C)CO ZINC000280248434 550974287 /nfs/dbraw/zinc/97/42/87/550974287.db2.gz BHBADQDCKNEZES-CYBMUJFWSA-N 1 0 365.430 2.415 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@](C)=O)CCC1 ZINC000280923315 551045963 /nfs/dbraw/zinc/04/59/63/551045963.db2.gz DTJBHBHWZKNOCE-YYUOZPCZSA-N 1 0 353.444 2.203 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281515079 551107705 /nfs/dbraw/zinc/10/77/05/551107705.db2.gz RVYXUXLXSMGUCN-UHFFFAOYSA-N 1 0 362.430 2.094 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000281540824 551110913 /nfs/dbraw/zinc/11/09/13/551110913.db2.gz KIPBHXLCBBDTGU-HNNXBMFYSA-N 1 0 367.446 2.145 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000497525580 561503208 /nfs/dbraw/zinc/50/32/08/561503208.db2.gz SQTZZGISOQZKOD-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000282605245 551251128 /nfs/dbraw/zinc/25/11/28/551251128.db2.gz BQLOEFCSHYWDQW-INIZCTEOSA-N 1 0 371.441 2.208 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000497873962 561510376 /nfs/dbraw/zinc/51/03/76/561510376.db2.gz BWPXLBMLCBXAKO-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000498359535 561523161 /nfs/dbraw/zinc/52/31/61/561523161.db2.gz PUHCLRBZWIQLCO-MRXNPFEDSA-N 1 0 365.478 2.363 20 5 FEBDRO Cn1nccc1[C@H]1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC(=O)N1C ZINC000284663586 551602450 /nfs/dbraw/zinc/60/24/50/551602450.db2.gz WBRGQXUSDXWLIR-NFJZJNBUSA-N 1 0 369.425 2.293 20 5 FEBDRO CC[NH+](CC)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000498506160 561526187 /nfs/dbraw/zinc/52/61/87/561526187.db2.gz PHRJTMGDKVINDQ-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285159327 551712708 /nfs/dbraw/zinc/71/27/08/551712708.db2.gz AJUKJNUPRVIDDN-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000285493878 551765373 /nfs/dbraw/zinc/76/53/73/551765373.db2.gz IWLDOBMQHUBKCB-RHSMWYFYSA-N 1 0 358.442 2.043 20 5 FEBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000285890578 551824269 /nfs/dbraw/zinc/82/42/69/551824269.db2.gz XLIZKKFYVYRQQU-HNNXBMFYSA-N 1 0 359.386 2.053 20 5 FEBDRO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286041612 551842008 /nfs/dbraw/zinc/84/20/08/551842008.db2.gz BOXQFSBASDIEEE-CQSZACIVSA-N 1 0 356.430 2.195 20 5 FEBDRO CC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286246670 551865328 /nfs/dbraw/zinc/86/53/28/551865328.db2.gz DQIKWNPGRYSTNN-MQVJKMGUSA-N 1 0 374.441 2.293 20 5 FEBDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286339571 551876278 /nfs/dbraw/zinc/87/62/78/551876278.db2.gz GIHYOQUZMBJJMY-MRXNPFEDSA-N 1 0 373.409 2.309 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)n1 ZINC000286438946 551885595 /nfs/dbraw/zinc/88/55/95/551885595.db2.gz SKUUXXOABGJKJG-UHFFFAOYSA-N 1 0 356.382 2.097 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616930 551906556 /nfs/dbraw/zinc/90/65/56/551906556.db2.gz RVEALCTVWJEQCQ-PWSUYJOCSA-N 1 0 363.292 2.496 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000286731436 551919996 /nfs/dbraw/zinc/91/99/96/551919996.db2.gz JYQAHYCGEBOZAQ-NVXWUHKLSA-N 1 0 369.425 2.445 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000286731437 551920020 /nfs/dbraw/zinc/92/00/20/551920020.db2.gz JYQAHYCGEBOZAQ-RDJZCZTQSA-N 1 0 369.425 2.445 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000286732783 551920282 /nfs/dbraw/zinc/92/02/82/551920282.db2.gz JYQAHYCGEBOZAQ-WBVHZDCISA-N 1 0 369.425 2.445 20 5 FEBDRO COC(=O)c1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000499203230 561545656 /nfs/dbraw/zinc/54/56/56/561545656.db2.gz FXFHRAXEKOUGAI-CYBMUJFWSA-N 1 0 363.414 2.376 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287185101 551974043 /nfs/dbraw/zinc/97/40/43/551974043.db2.gz NUYSVDGGSLBTGB-DZGCQCFKSA-N 1 0 362.430 2.372 20 5 FEBDRO COc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000287239315 551980070 /nfs/dbraw/zinc/98/00/70/551980070.db2.gz RBISREJVMZMRHL-UKRRQHHQSA-N 1 0 363.414 2.067 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000287275302 551984157 /nfs/dbraw/zinc/98/41/57/551984157.db2.gz SMHOVQVXXRMKKK-GOEBONIOSA-N 1 0 369.425 2.479 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000287364209 551994787 /nfs/dbraw/zinc/99/47/87/551994787.db2.gz WWOTWZRVNAOUAC-GXFFZTMASA-N 1 0 361.427 2.298 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000499726149 561557227 /nfs/dbraw/zinc/55/72/27/561557227.db2.gz WQSBQUYVHNKCOF-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384529 552144443 /nfs/dbraw/zinc/14/44/43/552144443.db2.gz LYRMHICTUHBITL-OLZOCXBDSA-N 1 0 361.398 2.065 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000288506759 552165611 /nfs/dbraw/zinc/16/56/11/552165611.db2.gz SLSMGUHBTIMRPN-UHFFFAOYSA-N 1 0 358.373 2.273 20 5 FEBDRO Nc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000288538983 552171555 /nfs/dbraw/zinc/17/15/55/552171555.db2.gz SHBNPCLIKPCRIZ-UHFFFAOYSA-N 1 0 362.352 2.268 20 5 FEBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289385211 552312595 /nfs/dbraw/zinc/31/25/95/552312595.db2.gz LSZOGTSWCYBJRC-GOSISDBHSA-N 1 0 367.446 2.345 20 5 FEBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000500394617 561571471 /nfs/dbraw/zinc/57/14/71/561571471.db2.gz PXWAFRDRHJQBIV-INIZCTEOSA-N 1 0 358.398 2.498 20 5 FEBDRO C[N@H+](CCCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289581119 552344035 /nfs/dbraw/zinc/34/40/35/552344035.db2.gz RGSZHEDZTMPBJC-UHFFFAOYSA-N 1 0 364.183 2.404 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000290004233 552412748 /nfs/dbraw/zinc/41/27/48/552412748.db2.gz ZIZCNDDOKRBKDW-PBHICJAKSA-N 1 0 359.430 2.070 20 5 FEBDRO NC(=O)c1ccnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290518479 552491738 /nfs/dbraw/zinc/49/17/38/552491738.db2.gz FZRNNEQQTNHOKQ-OAHLLOKOSA-N 1 0 369.425 2.065 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525654 552492608 /nfs/dbraw/zinc/49/26/08/552492608.db2.gz GSNOWMIZXNCYNQ-KBPBESRZSA-N 1 0 361.446 2.180 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000290563003 552498996 /nfs/dbraw/zinc/49/89/96/552498996.db2.gz ULINSBYUKXCBCC-UHFFFAOYSA-N 1 0 364.446 2.331 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000290823819 552544293 /nfs/dbraw/zinc/54/42/93/552544293.db2.gz OYVOPIVAAWLSBN-YOEHRIQHSA-N 1 0 374.441 2.038 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000290899348 552558175 /nfs/dbraw/zinc/55/81/75/552558175.db2.gz HEFUULGBUMJKEL-GFCCVEGCSA-N 1 0 353.419 2.461 20 5 FEBDRO COc1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc([N+](=O)[O-])c1OC ZINC000291018690 552576878 /nfs/dbraw/zinc/57/68/78/552576878.db2.gz FEFOOUJMLDOURJ-UHFFFAOYSA-N 1 0 373.365 2.346 20 5 FEBDRO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292444664 552727172 /nfs/dbraw/zinc/72/71/72/552727172.db2.gz XHHSLVIZRQRCEP-HNNXBMFYSA-N 1 0 360.458 2.364 20 5 FEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000293019363 552780864 /nfs/dbraw/zinc/78/08/64/552780864.db2.gz FICAIRIDLMBLEE-UHFFFAOYSA-N 1 0 360.458 2.229 20 5 FEBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293590303 552838387 /nfs/dbraw/zinc/83/83/87/552838387.db2.gz CRQOIUKNSBBDBT-ZIAGYGMSSA-N 1 0 364.446 2.454 20 5 FEBDRO COCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000293709999 552849210 /nfs/dbraw/zinc/84/92/10/552849210.db2.gz OWRHLGUGUSLGSZ-CQSZACIVSA-N 1 0 365.430 2.345 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000294180952 552888369 /nfs/dbraw/zinc/88/83/69/552888369.db2.gz PAUJUFQVBRBFNU-QGZVFWFLSA-N 1 0 351.378 2.057 20 5 FEBDRO CC(C)(CCC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[N+](=O)[O-] ZINC000294385414 552902207 /nfs/dbraw/zinc/90/22/07/552902207.db2.gz NUKGFODTTUSFRL-UHFFFAOYSA-N 1 0 362.474 2.150 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000294921942 552944467 /nfs/dbraw/zinc/94/44/67/552944467.db2.gz INRHHTAAUPCBBX-CHWSQXEVSA-N 1 0 360.414 2.043 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000295066137 552955460 /nfs/dbraw/zinc/95/54/60/552955460.db2.gz OVVPAFZQEIMOST-ZDUSSCGKSA-N 1 0 367.427 2.272 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295116398 552960385 /nfs/dbraw/zinc/96/03/85/552960385.db2.gz LWNYQDFLIKANKF-LBPRGKRZSA-N 1 0 353.394 2.450 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000295338780 552990181 /nfs/dbraw/zinc/99/01/81/552990181.db2.gz ZZDGRPSZZDRHNN-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000295988331 553085410 /nfs/dbraw/zinc/08/54/10/553085410.db2.gz KMVJQYUEPKDAKA-FUHWJXTLSA-N 1 0 362.426 2.226 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000296521369 553173536 /nfs/dbraw/zinc/17/35/36/553173536.db2.gz AJGWTLDDFZUIDR-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1OC ZINC000296552431 553178255 /nfs/dbraw/zinc/17/82/55/553178255.db2.gz OXASDHIRPDEDEU-CQSZACIVSA-N 1 0 361.402 2.425 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296855442 553220975 /nfs/dbraw/zinc/22/09/75/553220975.db2.gz TYZXNFCRMFRVQO-OLZOCXBDSA-N 1 0 353.419 2.473 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296880743 553224426 /nfs/dbraw/zinc/22/44/26/553224426.db2.gz VACAEGXQHKVSNZ-AWEZNQCLSA-N 1 0 364.402 2.004 20 5 FEBDRO Cc1nc(NCc2ccccc2C[NH+]2CCC(O)CC2)ncc1[N+](=O)[O-] ZINC000296952571 553234208 /nfs/dbraw/zinc/23/42/08/553234208.db2.gz CEQXUXWCSLEQHO-UHFFFAOYSA-N 1 0 357.414 2.262 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CN(C(C)C)C1 ZINC000297103545 553253591 /nfs/dbraw/zinc/25/35/91/553253591.db2.gz NRUFDCDBVITMOP-UHFFFAOYSA-N 1 0 353.444 2.156 20 5 FEBDRO Cc1nc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C(C)C)ncc1[N+](=O)[O-] ZINC000297217502 553265101 /nfs/dbraw/zinc/26/51/01/553265101.db2.gz SOKQAPJWNODGSA-LLVKDONJSA-N 1 0 363.447 2.484 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1[N+](=O)[O-] ZINC000297284032 553273434 /nfs/dbraw/zinc/27/34/34/553273434.db2.gz LLPYITUPLLMTMF-GOEBONIOSA-N 1 0 351.447 2.491 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000503201739 561636496 /nfs/dbraw/zinc/63/64/96/561636496.db2.gz DNZKKHYQEYTESE-SJKOYZFVSA-N 1 0 352.387 2.113 20 5 FEBDRO Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000297757445 553335113 /nfs/dbraw/zinc/33/51/13/553335113.db2.gz LZODTQRIZRKUCR-UHFFFAOYSA-N 1 0 369.381 2.288 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000297788202 553338685 /nfs/dbraw/zinc/33/86/85/553338685.db2.gz HCHIMBWFBUQEHT-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000298115305 553386313 /nfs/dbraw/zinc/38/63/13/553386313.db2.gz MMEDLEITTNQQEI-UHFFFAOYSA-N 1 0 373.409 2.427 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000298532076 553436854 /nfs/dbraw/zinc/43/68/54/553436854.db2.gz WMXREGSZQDKGDV-CYBMUJFWSA-N 1 0 351.403 2.431 20 5 FEBDRO CCC[C@]1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000298546612 553438655 /nfs/dbraw/zinc/43/86/55/553438655.db2.gz NRZKFGLBSRACCQ-KRWDZBQOSA-N 1 0 351.403 2.481 20 5 FEBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)OC ZINC000298556700 553439924 /nfs/dbraw/zinc/43/99/24/553439924.db2.gz OWQRMLUUQRYYPW-GFCCVEGCSA-N 1 0 367.402 2.206 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000298712605 553462283 /nfs/dbraw/zinc/46/22/83/553462283.db2.gz AMBCUHLFAPIRNC-DABQJJPHSA-N 1 0 351.403 2.166 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000298802259 553475136 /nfs/dbraw/zinc/47/51/36/553475136.db2.gz ZBKZQIMQUZIDHK-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298805845 553475374 /nfs/dbraw/zinc/47/53/74/553475374.db2.gz FDFPEVUHHNZLEJ-LLVKDONJSA-N 1 0 368.821 2.129 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCC2)c1 ZINC000298846672 553480382 /nfs/dbraw/zinc/48/03/82/553480382.db2.gz ARHMQRYVVSHOKE-INIZCTEOSA-N 1 0 358.398 2.498 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000299195581 553528793 /nfs/dbraw/zinc/52/87/93/553528793.db2.gz DPHPTJYMBDUYBP-LBPRGKRZSA-N 1 0 374.441 2.093 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299327383 553548355 /nfs/dbraw/zinc/54/83/55/553548355.db2.gz YXEZZAXZSHSMTH-SECBINFHSA-N 1 0 359.329 2.029 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000299505279 553573006 /nfs/dbraw/zinc/57/30/06/553573006.db2.gz BVERXEXAOPFLQS-QWHCGFSZSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000299600950 553587342 /nfs/dbraw/zinc/58/73/42/553587342.db2.gz IOXGUBXZPBIEEJ-CYBMUJFWSA-N 1 0 362.430 2.030 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302886 561655892 /nfs/dbraw/zinc/65/58/92/561655892.db2.gz PXLWLGQYSTXSDP-HZPDHXFCSA-N 1 0 373.457 2.053 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000301080323 553620151 /nfs/dbraw/zinc/62/01/51/553620151.db2.gz IZCMFHNOHHOXFF-UHFFFAOYSA-N 1 0 352.391 2.082 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000301102143 553622557 /nfs/dbraw/zinc/62/25/57/553622557.db2.gz QIQQGRCJGVMADX-MRXNPFEDSA-N 1 0 355.398 2.338 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)c1 ZINC000301455484 553653181 /nfs/dbraw/zinc/65/31/81/553653181.db2.gz WGEKQUAWAUVYGU-UHFFFAOYSA-N 1 0 362.361 2.473 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572235 553661967 /nfs/dbraw/zinc/66/19/67/553661967.db2.gz LETMUGXUWSEPBU-SUMWQHHRSA-N 1 0 369.425 2.411 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCCC[NH+]2CCOCC2)c(Br)c1 ZINC000301575926 553662900 /nfs/dbraw/zinc/66/29/00/553662900.db2.gz YPPQFPIQUGTURE-UHFFFAOYSA-N 1 0 359.224 2.277 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301896194 553689828 /nfs/dbraw/zinc/68/98/28/553689828.db2.gz QIJBGZOIZJDTST-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302111187 553704996 /nfs/dbraw/zinc/70/49/96/553704996.db2.gz ULLHNHRJFCRJCT-BETUJISGSA-N 1 0 370.475 2.022 20 5 FEBDRO C[N@@H+]1CCN(CCCNc2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000302179790 553709089 /nfs/dbraw/zinc/70/90/89/553709089.db2.gz YYEUCEKJTZERDB-QGZVFWFLSA-N 1 0 356.430 2.176 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302194939 553709801 /nfs/dbraw/zinc/70/98/01/553709801.db2.gz SFULHJSXMGGFGU-AWEZNQCLSA-N 1 0 370.475 2.165 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCN2 ZINC000302387008 553715842 /nfs/dbraw/zinc/71/58/42/553715842.db2.gz AYPLSEJRGHKZOS-MRXNPFEDSA-N 1 0 368.437 2.394 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000505503066 561672538 /nfs/dbraw/zinc/67/25/38/561672538.db2.gz KWAFVQHICDCLMJ-LJQANCHMSA-N 1 0 369.425 2.338 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302972319 553742931 /nfs/dbraw/zinc/74/29/31/553742931.db2.gz IHNGSMXGFLDQTP-RYUDHWBXSA-N 1 0 350.419 2.182 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000303073571 553744296 /nfs/dbraw/zinc/74/42/96/553744296.db2.gz QGFIWLSNXLKCPF-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000505616808 561675541 /nfs/dbraw/zinc/67/55/41/561675541.db2.gz ZFJNTTIRIZOXON-KRWDZBQOSA-N 1 0 353.369 2.360 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000325214147 553775480 /nfs/dbraw/zinc/77/54/80/553775480.db2.gz NUUJOQDKIHCGOI-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000507375329 561726947 /nfs/dbraw/zinc/72/69/47/561726947.db2.gz BEHBIXJCQZXWHT-AWEZNQCLSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000530710804 562421381 /nfs/dbraw/zinc/42/13/81/562421381.db2.gz SQJHOOISVBUZHM-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000330808255 554173989 /nfs/dbraw/zinc/17/39/89/554173989.db2.gz IREAFBAUHKXLOK-UHFFFAOYSA-N 1 0 355.460 2.337 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331855622 554331842 /nfs/dbraw/zinc/33/18/42/554331842.db2.gz DQRKRJPPSRNILE-CZUORRHYSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000331912271 554345012 /nfs/dbraw/zinc/34/50/12/554345012.db2.gz NCIUPJGGKCBNRW-FZMZJTMJSA-N 1 0 373.862 2.401 20 5 FEBDRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000609270715 554355053 /nfs/dbraw/zinc/35/50/53/554355053.db2.gz QWWWTAGDVVOPIR-UHFFFAOYSA-N 1 0 370.413 2.122 20 5 FEBDRO Cc1c(Br)cc(C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000509651741 561809174 /nfs/dbraw/zinc/80/91/74/561809174.db2.gz NOSQLXKTJRATMI-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332076802 554375275 /nfs/dbraw/zinc/37/52/75/554375275.db2.gz GMUZMSHJIKDFLT-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1cccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000332199669 554399964 /nfs/dbraw/zinc/39/99/64/554399964.db2.gz QEDZPIRISCFAME-UKRRQHHQSA-N 1 0 365.455 2.255 20 5 FEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000332381719 554435476 /nfs/dbraw/zinc/43/54/76/554435476.db2.gz HEPIGTYIOOJQNC-KDOFPFPSSA-N 1 0 350.438 2.192 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000332435678 554445739 /nfs/dbraw/zinc/44/57/39/554445739.db2.gz GYWMYEDBHSFMNW-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000510550338 561838681 /nfs/dbraw/zinc/83/86/81/561838681.db2.gz FYODNKGMKYHBSN-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510659592 561842408 /nfs/dbraw/zinc/84/24/08/561842408.db2.gz CUJQEYBGOURRCN-UHFFFAOYSA-N 1 0 367.427 2.330 20 5 FEBDRO C[NH+]1CCC(Cc2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CC1 ZINC000351204271 554843105 /nfs/dbraw/zinc/84/31/05/554843105.db2.gz QWDPBHMHQHBBKV-UHFFFAOYSA-N 1 0 369.385 2.110 20 5 FEBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000361217818 554910451 /nfs/dbraw/zinc/91/04/51/554910451.db2.gz PXFZXNKLTNEPBO-ZFWWWQNUSA-N 1 0 371.397 2.135 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000362288427 554961137 /nfs/dbraw/zinc/96/11/37/554961137.db2.gz WEPYPXDYJHTLGC-UHFFFAOYSA-N 1 0 364.365 2.074 20 5 FEBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCOc2ccccc2C1 ZINC000362709313 554983107 /nfs/dbraw/zinc/98/31/07/554983107.db2.gz DRMNOKYGEVSDMX-UHFFFAOYSA-N 1 0 355.394 2.496 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000363347358 555082554 /nfs/dbraw/zinc/08/25/54/555082554.db2.gz GXYMQKVRXXDTOQ-UHFFFAOYSA-N 1 0 355.822 2.433 20 5 FEBDRO CC(C)C[N@@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000363419307 555101296 /nfs/dbraw/zinc/10/12/96/555101296.db2.gz VBDZHCPNVVJWHQ-SFHVURJKSA-N 1 0 360.458 2.364 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363427304 555103299 /nfs/dbraw/zinc/10/32/99/555103299.db2.gz UZKJVANEEAHCCL-UHFFFAOYSA-N 1 0 361.442 2.241 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c([N+](=O)[O-])cc1OC ZINC000363489224 555119183 /nfs/dbraw/zinc/11/91/83/555119183.db2.gz SRYVRLWZZRXNKO-TZMCWYRMSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1c(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000363826100 555194417 /nfs/dbraw/zinc/19/44/17/555194417.db2.gz LIWQVQNBVNYAPS-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1=CC[N@H+](C)CC1 ZINC000512122110 561893043 /nfs/dbraw/zinc/89/30/43/561893043.db2.gz HIHLRKAVPUQLNU-LBPRGKRZSA-N 1 0 365.455 2.059 20 5 FEBDRO Cc1ccc(C[NH2+][C@H]2CCCN(Cc3ccnc(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000363958916 555221889 /nfs/dbraw/zinc/22/18/89/555221889.db2.gz DPUOEJDYCLLWPZ-KRWDZBQOSA-N 1 0 369.425 2.282 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1c1ccc(F)cc1 ZINC000364198203 555267734 /nfs/dbraw/zinc/26/77/34/555267734.db2.gz XGVKXTGAYQQJCL-HOTGVXAUSA-N 1 0 374.328 2.209 20 5 FEBDRO CC1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])C[NH+](Cc2ccccc2)C1 ZINC000364329776 555292418 /nfs/dbraw/zinc/29/24/18/555292418.db2.gz GEYOOQKDCYYLCJ-UHFFFAOYSA-N 1 0 354.410 2.429 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364598701 555348896 /nfs/dbraw/zinc/34/88/96/555348896.db2.gz JGJUBSRPBVYIEQ-UHFFFAOYSA-N 1 0 351.447 2.272 20 5 FEBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458172 561905952 /nfs/dbraw/zinc/90/59/52/561905952.db2.gz YSFXABBFJOVFRO-HOCLYGCPSA-N 1 0 361.442 2.499 20 5 FEBDRO Cc1c([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000364646625 555361494 /nfs/dbraw/zinc/36/14/94/555361494.db2.gz MZQREUNQLKNRND-GOEBONIOSA-N 1 0 360.414 2.214 20 5 FEBDRO CCc1nc(CN2C[C@H]3CN(c4ccc(C)cc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000365033603 555469749 /nfs/dbraw/zinc/46/97/49/555469749.db2.gz AJFWJWKAVBJQTA-KBPBESRZSA-N 1 0 357.414 2.417 20 5 FEBDRO Cc1nc(C2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000365108037 555486856 /nfs/dbraw/zinc/48/68/56/555486856.db2.gz AKDGYYAWDUCBNV-LLVKDONJSA-N 1 0 358.402 2.228 20 5 FEBDRO O=C(C[NH2+][C@H]1c2ccccc2CC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000365272637 555528782 /nfs/dbraw/zinc/52/87/82/555528782.db2.gz XRGSQFSLCVXWGH-IFXJQAMLSA-N 1 0 355.394 2.419 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000365338525 555548051 /nfs/dbraw/zinc/54/80/51/555548051.db2.gz HOEFPIPRJCVBQJ-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000365351142 555550527 /nfs/dbraw/zinc/55/05/27/555550527.db2.gz BAKFLCSXQQCGDB-KOLCDFICSA-N 1 0 371.340 2.029 20 5 FEBDRO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365817932 555674192 /nfs/dbraw/zinc/67/41/92/555674192.db2.gz DKOVEVMJVQCZEM-QGZVFWFLSA-N 1 0 374.441 2.485 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000365826348 555676537 /nfs/dbraw/zinc/67/65/37/555676537.db2.gz PUOGJHXYXZOLRH-ARFHVFGLSA-N 1 0 351.359 2.319 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCSC3)CC2)c2c(c1)COCO2 ZINC000366070880 555742647 /nfs/dbraw/zinc/74/26/47/555742647.db2.gz CGBCLIQJYBOEER-HNNXBMFYSA-N 1 0 365.455 2.084 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000366202308 555780445 /nfs/dbraw/zinc/78/04/45/555780445.db2.gz OAVFZMASJUCBHR-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366567409 555877686 /nfs/dbraw/zinc/87/76/86/555877686.db2.gz CQUUFOUFSDCCMG-RDTXWAMCSA-N 1 0 366.414 2.252 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4cccc([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000366690473 555909975 /nfs/dbraw/zinc/90/99/75/555909975.db2.gz ASZBWOOTXGQNCD-GJZGRUSLSA-N 1 0 357.414 2.104 20 5 FEBDRO Cn1cc(-c2ncc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cn2)cn1 ZINC000367350287 556024819 /nfs/dbraw/zinc/02/48/19/556024819.db2.gz UEXMJDTXTFSQLP-UHFFFAOYSA-N 1 0 352.398 2.460 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000367648189 556104413 /nfs/dbraw/zinc/10/44/13/556104413.db2.gz GCWZIWGGKBFBSV-CYBMUJFWSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000367886534 556164892 /nfs/dbraw/zinc/16/48/92/556164892.db2.gz PXKCXIHJAMVNIT-MRXNPFEDSA-N 1 0 363.458 2.123 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367938240 556177582 /nfs/dbraw/zinc/17/75/82/556177582.db2.gz JTZKFQLDLVNBRZ-MRXNPFEDSA-N 1 0 360.458 2.261 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072114 556210679 /nfs/dbraw/zinc/21/06/79/556210679.db2.gz IEFBYUVAKAXAIE-IBGZPJMESA-N 1 0 357.410 2.130 20 5 FEBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000368197326 556245972 /nfs/dbraw/zinc/24/59/72/556245972.db2.gz DEBHRKJQAYIALE-UHFFFAOYSA-N 1 0 361.398 2.066 20 5 FEBDRO COc1cc(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000368200221 556246445 /nfs/dbraw/zinc/24/64/45/556246445.db2.gz KHPQNAFCTYPICK-UHFFFAOYSA-N 1 0 362.474 2.457 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000368279832 556266427 /nfs/dbraw/zinc/26/64/27/556266427.db2.gz CJLJWEYKPHMXLJ-UHFFFAOYSA-N 1 0 361.427 2.028 20 5 FEBDRO COc1cc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000368578371 556351148 /nfs/dbraw/zinc/35/11/48/556351148.db2.gz MMWRKPAJUGVMEE-ZDUSSCGKSA-N 1 0 362.386 2.351 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000368612456 556362206 /nfs/dbraw/zinc/36/22/06/556362206.db2.gz KPJCJUVBJPDDIH-DLBZAZTESA-N 1 0 364.442 2.473 20 5 FEBDRO Cc1ncc(CN2CC[C@H]([NH2+]CCn3cc([N+](=O)[O-])cn3)[C@@H](C)C2)s1 ZINC000368963713 556460781 /nfs/dbraw/zinc/46/07/81/556460781.db2.gz CDXMSCGNDYTNDF-LRDDRELGSA-N 1 0 364.475 2.056 20 5 FEBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976428 556465713 /nfs/dbraw/zinc/46/57/13/556465713.db2.gz WGKZQPTZRZXLQD-XUWXXGDYSA-N 1 0 370.409 2.378 20 5 FEBDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000369052040 556489307 /nfs/dbraw/zinc/48/93/07/556489307.db2.gz RRRGALBEAUFVJI-AWEZNQCLSA-N 1 0 371.441 2.282 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000369079168 556499119 /nfs/dbraw/zinc/49/91/19/556499119.db2.gz RTWLYGVYNYMSLD-CVEARBPZSA-N 1 0 353.444 2.104 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000369155362 556519415 /nfs/dbraw/zinc/51/94/15/556519415.db2.gz DGVUGJHZUFISOH-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000516096487 562030663 /nfs/dbraw/zinc/03/06/63/562030663.db2.gz BRVCNHXBEYGLQG-NSHDSACASA-N 1 0 361.354 2.098 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000369349104 556576502 /nfs/dbraw/zinc/57/65/02/556576502.db2.gz XBCJOMLHYAKCGJ-CYBMUJFWSA-N 1 0 354.838 2.067 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000369495699 556611592 /nfs/dbraw/zinc/61/15/92/556611592.db2.gz DIBIMEJGKSKPGF-OAHLLOKOSA-N 1 0 366.849 2.100 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369531000 556622769 /nfs/dbraw/zinc/62/27/69/556622769.db2.gz JETBDOONRHTCHX-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370059799 556769873 /nfs/dbraw/zinc/76/98/73/556769873.db2.gz LASGLJHKHAFFSU-QGZVFWFLSA-N 1 0 357.414 2.258 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000370107141 556782472 /nfs/dbraw/zinc/78/24/72/556782472.db2.gz GQBXCOSEGMSOBV-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000370122065 556786508 /nfs/dbraw/zinc/78/65/08/556786508.db2.gz XLGCHTWDQXCDTC-QGZVFWFLSA-N 1 0 374.441 2.400 20 5 FEBDRO Cc1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000370143138 556792493 /nfs/dbraw/zinc/79/24/93/556792493.db2.gz RNNHMAZOMBYWFJ-UHFFFAOYSA-N 1 0 358.402 3.010 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000370443576 556875415 /nfs/dbraw/zinc/87/54/15/556875415.db2.gz DDJICVXMODQJKQ-MRXNPFEDSA-N 1 0 358.398 2.004 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689125 556940826 /nfs/dbraw/zinc/94/08/26/556940826.db2.gz KBGVKHFOBRDKAV-ZWKOTPCHSA-N 1 0 374.441 2.132 20 5 FEBDRO Cc1sc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000370770363 556963068 /nfs/dbraw/zinc/96/30/68/556963068.db2.gz GEAUGPRHIJLPLY-STQMWFEESA-N 1 0 353.444 2.195 20 5 FEBDRO Cc1nnc([C@@H]2CC23CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC3)o1 ZINC000370804816 556973068 /nfs/dbraw/zinc/97/30/68/556973068.db2.gz XCSQVUOWWNHKPP-AWEZNQCLSA-N 1 0 371.397 2.155 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847607 556989296 /nfs/dbraw/zinc/98/92/96/556989296.db2.gz ZWUOGFSWFLZLRF-MRXNPFEDSA-N 1 0 360.458 2.144 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370865744 556995394 /nfs/dbraw/zinc/99/53/94/556995394.db2.gz YPBZXDFALDVGHO-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998282 562070116 /nfs/dbraw/zinc/07/01/16/562070116.db2.gz SEQUFFHCVZBLCZ-ZIAGYGMSSA-N 1 0 363.414 2.376 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370920149 557015649 /nfs/dbraw/zinc/01/56/49/557015649.db2.gz ZGZSPSCWPRCPOU-HNAYVOBHSA-N 1 0 371.441 2.070 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)c([N+](=O)[O-])c1 ZINC000517030486 562072383 /nfs/dbraw/zinc/07/23/83/562072383.db2.gz VEFCLMLZXNFRQE-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000517232727 562081526 /nfs/dbraw/zinc/08/15/26/562081526.db2.gz HTBQPMFSKZNWQW-MRXNPFEDSA-N 1 0 351.428 2.131 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000371277062 557128681 /nfs/dbraw/zinc/12/86/81/557128681.db2.gz DSJSOYSGYKJOED-GOSISDBHSA-N 1 0 365.393 2.058 20 5 FEBDRO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371355132 557157596 /nfs/dbraw/zinc/15/75/96/557157596.db2.gz OTMGMPSJYGSOHY-HXSXWYSASA-N 1 0 372.469 2.092 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000517619457 562093875 /nfs/dbraw/zinc/09/38/75/562093875.db2.gz HJYRSWPMXIJMRW-AWEZNQCLSA-N 1 0 363.393 2.442 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CN(C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452546 562111883 /nfs/dbraw/zinc/11/18/83/562111883.db2.gz LTKLUXHKTMPBKQ-CQSZACIVSA-N 1 0 374.441 2.199 20 5 FEBDRO COc1ccc2c(c1)[C@@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372345776 557445903 /nfs/dbraw/zinc/44/59/03/557445903.db2.gz LJNYWASZDWOEJW-AWEZNQCLSA-N 1 0 357.410 2.427 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000372368685 557452253 /nfs/dbraw/zinc/45/22/53/557452253.db2.gz VZLGAFKBPBKQDF-YJBOKZPZSA-N 1 0 360.458 2.001 20 5 FEBDRO CN1CCC[C@@]2(CC[N@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1=O ZINC000372507149 557488266 /nfs/dbraw/zinc/48/82/66/557488266.db2.gz QUJVRTVPMQVUMU-SFHVURJKSA-N 1 0 371.397 2.089 20 5 FEBDRO C[NH+]1CCC(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)CC1 ZINC000372529573 557494500 /nfs/dbraw/zinc/49/45/00/557494500.db2.gz RSTQAMKMFSINNV-IEBWSBKVSA-N 1 0 372.469 2.336 20 5 FEBDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000372620250 557523414 /nfs/dbraw/zinc/52/34/14/557523414.db2.gz NGZUKXRPFRLQQQ-OAHLLOKOSA-N 1 0 371.441 2.282 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373065599 557620294 /nfs/dbraw/zinc/62/02/94/557620294.db2.gz IWJCOZDQEOBZQS-NOZJJQNGSA-N 1 0 354.204 2.181 20 5 FEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C1CC[NH+](C)CC1 ZINC000373165927 557642417 /nfs/dbraw/zinc/64/24/17/557642417.db2.gz KCSBVIYWSYSSMY-GFCCVEGCSA-N 1 0 353.854 2.248 20 5 FEBDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581220 557722070 /nfs/dbraw/zinc/72/20/70/557722070.db2.gz DVBRGBZVKHTSIF-FUHWJXTLSA-N 1 0 374.441 2.485 20 5 FEBDRO O=C1O[C@@H](C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586509 557723709 /nfs/dbraw/zinc/72/37/09/557723709.db2.gz SSYIBJMPESISCM-RDJZCZTQSA-N 1 0 371.397 2.454 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000373837149 557770058 /nfs/dbraw/zinc/77/00/58/557770058.db2.gz PUYWFVBIEWBZET-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccncc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000373992113 557803162 /nfs/dbraw/zinc/80/31/62/557803162.db2.gz JOLWVHNDTNVHBA-UHFFFAOYSA-N 1 0 360.439 2.488 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374433334 557883483 /nfs/dbraw/zinc/88/34/83/557883483.db2.gz AOYHVMYBUBVWOZ-HUUCEWRRSA-N 1 0 356.382 2.279 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000374598494 557904937 /nfs/dbraw/zinc/90/49/37/557904937.db2.gz ZGRFQVULWLIWAL-NZVBXONLSA-N 1 0 356.382 2.048 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000374632995 557909514 /nfs/dbraw/zinc/90/95/14/557909514.db2.gz TVSACTSTCQBJOC-HRCADAONSA-N 1 0 358.442 2.394 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000375049950 557969770 /nfs/dbraw/zinc/96/97/70/557969770.db2.gz PGDPITGYSFASTR-QZTJIDSGSA-N 1 0 355.394 2.479 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375377539 558017713 /nfs/dbraw/zinc/01/77/13/558017713.db2.gz GGDOAQOMOLZQSR-CABCVRRESA-N 1 0 364.450 2.012 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C1 ZINC000375523038 558042526 /nfs/dbraw/zinc/04/25/26/558042526.db2.gz WEEDUVDPABYAQI-GFCCVEGCSA-N 1 0 373.379 2.225 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000521692349 562182320 /nfs/dbraw/zinc/18/23/20/562182320.db2.gz UNAZNSOUVISKRV-MRXNPFEDSA-N 1 0 367.471 2.406 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000376502670 558181839 /nfs/dbraw/zinc/18/18/39/558181839.db2.gz XWANKDOVDDPSTD-CYBMUJFWSA-N 1 0 351.403 2.026 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416648 562198217 /nfs/dbraw/zinc/19/82/17/562198217.db2.gz MCQAGSRQTVFPGT-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)n1 ZINC000377647844 558386133 /nfs/dbraw/zinc/38/61/33/558386133.db2.gz TZRKKFJGPURZKG-ZFWWWQNUSA-N 1 0 350.806 2.153 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377647660 558386137 /nfs/dbraw/zinc/38/61/37/558386137.db2.gz FYMXKBGSRLFBAQ-JSGCOSHPSA-N 1 0 350.806 2.190 20 5 FEBDRO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000522592689 562200118 /nfs/dbraw/zinc/20/01/18/562200118.db2.gz JHMRVDCVNNRBHR-CQSZACIVSA-N 1 0 371.441 2.089 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000377953236 558451055 /nfs/dbraw/zinc/45/10/55/558451055.db2.gz WTQKEXMEABULLV-MRXNPFEDSA-N 1 0 355.398 2.276 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000522872335 562205213 /nfs/dbraw/zinc/20/52/13/562205213.db2.gz QDNPSMLVCDADTF-CQSZACIVSA-N 1 0 368.482 2.062 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)c([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000378347089 558534919 /nfs/dbraw/zinc/53/49/19/558534919.db2.gz BXWPJCFAPNRIIW-IYBDPMFKSA-N 1 0 371.441 2.412 20 5 FEBDRO Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNc1ncc([N+](=O)[O-])cc1C ZINC000378423607 558553291 /nfs/dbraw/zinc/55/32/91/558553291.db2.gz LPVIDLLWJSPLCO-UHFFFAOYSA-N 1 0 373.461 2.094 20 5 FEBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000378472081 558565123 /nfs/dbraw/zinc/56/51/23/558565123.db2.gz HOMGSCFASDIHOB-DHSIGJKJSA-N 1 0 360.414 2.356 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])cc1OC ZINC000404372793 558631490 /nfs/dbraw/zinc/63/14/90/558631490.db2.gz SBDNUYGZKHFGQX-AAEUAGOBSA-N 1 0 351.403 2.202 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183024 558654575 /nfs/dbraw/zinc/65/45/75/558654575.db2.gz OUYAGVXAVZMZCE-RHSMWYFYSA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183025 558654705 /nfs/dbraw/zinc/65/47/05/558654705.db2.gz OUYAGVXAVZMZCE-WMLDXEAASA-N 1 0 358.442 2.043 20 5 FEBDRO C[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000409647648 558710788 /nfs/dbraw/zinc/71/07/88/558710788.db2.gz CKFPYOLVSKBGDK-TZMCWYRMSA-N 1 0 370.475 2.035 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524775173 562234438 /nfs/dbraw/zinc/23/44/38/562234438.db2.gz UHPZWFCBKMFBAL-ZDUSSCGKSA-N 1 0 367.471 2.295 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000411239578 558858495 /nfs/dbraw/zinc/85/84/95/558858495.db2.gz GJMTYWJBRHTVJA-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000411621446 558930646 /nfs/dbraw/zinc/93/06/46/558930646.db2.gz QLZMQMPALAYTFV-XEZPLFJOSA-N 1 0 365.430 2.413 20 5 FEBDRO CC[NH+]1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715107 558949592 /nfs/dbraw/zinc/94/95/92/558949592.db2.gz AXHVMRXMTCJFTN-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791338 558963744 /nfs/dbraw/zinc/96/37/44/558963744.db2.gz KVCVJPPMOJSBPG-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411907957 558986180 /nfs/dbraw/zinc/98/61/80/558986180.db2.gz CNQGTINLFIMATI-LMMKCTJWSA-N 1 0 358.394 2.142 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411943295 558992776 /nfs/dbraw/zinc/99/27/76/558992776.db2.gz QGZYFVNKTYJJGS-JTQLQIEISA-N 1 0 373.356 2.115 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411985854 558999196 /nfs/dbraw/zinc/99/91/96/558999196.db2.gz SWRTVVQPWRFQNL-HNNXBMFYSA-N 1 0 365.430 2.223 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411985855 558999292 /nfs/dbraw/zinc/99/92/92/558999292.db2.gz SWRTVVQPWRFQNL-OAHLLOKOSA-N 1 0 365.430 2.223 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)c1F ZINC000412165768 559017897 /nfs/dbraw/zinc/01/78/97/559017897.db2.gz FEJAKZFMTAJPFT-GFCCVEGCSA-N 1 0 355.410 2.378 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000412297717 559025838 /nfs/dbraw/zinc/02/58/38/559025838.db2.gz FDEMHRXJMGKFKE-FHLIZLRMSA-N 1 0 361.442 2.315 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412364982 559031028 /nfs/dbraw/zinc/03/10/28/559031028.db2.gz PEDOPEKJAXRBNR-XWTMOSNGSA-N 1 0 359.426 2.020 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413438783 559107767 /nfs/dbraw/zinc/10/77/67/559107767.db2.gz MLIVAGRQHZEXJV-RBUKOAKNSA-N 1 0 374.485 2.183 20 5 FEBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000414748830 559184713 /nfs/dbraw/zinc/18/47/13/559184713.db2.gz XGXLGAFWGRFDJS-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000414897809 559193828 /nfs/dbraw/zinc/19/38/28/559193828.db2.gz RYNWQZZLIHLMRF-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000527183087 562279297 /nfs/dbraw/zinc/27/92/97/562279297.db2.gz UPBDQJIKPXJZFB-GOSISDBHSA-N 1 0 359.357 2.309 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415504166 559244333 /nfs/dbraw/zinc/24/43/33/559244333.db2.gz PABNTWDZEWQWHR-UHFFFAOYSA-N 1 0 361.446 2.241 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595587 559253888 /nfs/dbraw/zinc/25/38/88/559253888.db2.gz HJYNQTPYUOUWPF-GXFFZTMASA-N 1 0 364.402 2.281 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415657138 559258856 /nfs/dbraw/zinc/25/88/56/559258856.db2.gz JRHYKUOJFWQXMT-AAEUAGOBSA-N 1 0 362.430 2.088 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415669391 559260216 /nfs/dbraw/zinc/26/02/16/559260216.db2.gz BRIPEKXVHOMZMU-CQSZACIVSA-N 1 0 362.430 2.045 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415704646 559263691 /nfs/dbraw/zinc/26/36/91/559263691.db2.gz SNXDHSHGOGWVRG-PELKAZGASA-N 1 0 355.192 2.183 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416385524 559309149 /nfs/dbraw/zinc/30/91/49/559309149.db2.gz HRBWOYMAIJHKCJ-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421558 559312010 /nfs/dbraw/zinc/31/20/10/559312010.db2.gz DHNVQINQFXDBJM-CHWSQXEVSA-N 1 0 353.444 2.115 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417716045 559373734 /nfs/dbraw/zinc/37/37/34/559373734.db2.gz LBFZDUFCQNQVSE-CABCVRRESA-N 1 0 363.462 2.332 20 5 FEBDRO C[C@@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000418003276 559386043 /nfs/dbraw/zinc/38/60/43/559386043.db2.gz ZQYRYCIWHGNAEL-YPMHNXCESA-N 1 0 354.838 2.417 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418080401 559389508 /nfs/dbraw/zinc/38/95/08/559389508.db2.gz CBSIEAMQFODVOR-UHFFFAOYSA-N 1 0 360.418 2.002 20 5 FEBDRO [NH3+]C1(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCCC1 ZINC000418280995 559396233 /nfs/dbraw/zinc/39/62/33/559396233.db2.gz CIJPFURMDIOIRN-UHFFFAOYSA-N 1 0 364.450 2.190 20 5 FEBDRO [NH3+]C1(CNC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000418297339 559396744 /nfs/dbraw/zinc/39/67/44/559396744.db2.gz NQYXBUNFUUYIKR-UHFFFAOYSA-N 1 0 361.446 2.088 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418324320 559397570 /nfs/dbraw/zinc/39/75/70/559397570.db2.gz GPAHWLJECXJHLS-UHFFFAOYSA-N 1 0 371.441 2.354 20 5 FEBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418597759 559407410 /nfs/dbraw/zinc/40/74/10/559407410.db2.gz YHQAUPWUXJBGAX-UONOGXRCSA-N 1 0 362.430 2.418 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC2([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000419002738 559425106 /nfs/dbraw/zinc/42/51/06/559425106.db2.gz MRGSWOCHUNZWEO-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+]1CCCC1 ZINC000419373237 559439943 /nfs/dbraw/zinc/43/99/43/559439943.db2.gz IJOGMRDPEDSATG-UHFFFAOYSA-N 1 0 360.458 2.290 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420274012 559478282 /nfs/dbraw/zinc/47/82/82/559478282.db2.gz OJINFSFDIQBKQF-IUODEOHRSA-N 1 0 350.419 2.134 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449903 559487959 /nfs/dbraw/zinc/48/79/59/559487959.db2.gz GOQNSSTUJMJHLW-WPRPVWTQSA-N 1 0 367.349 2.019 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000420452114 559488145 /nfs/dbraw/zinc/48/81/45/559488145.db2.gz BZUJDDPBPYJVDJ-MRXNPFEDSA-N 1 0 363.439 2.444 20 5 FEBDRO C[NH+](C)C1(CNc2c(C(N)=O)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000420603575 559493622 /nfs/dbraw/zinc/49/36/22/559493622.db2.gz QEMUHHZQJGPXOU-UHFFFAOYSA-N 1 0 354.410 2.205 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000421796423 559553766 /nfs/dbraw/zinc/55/37/66/559553766.db2.gz OITLGLSLYGNTLB-FUHWJXTLSA-N 1 0 374.485 2.310 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000422003829 559559965 /nfs/dbraw/zinc/55/99/65/559559965.db2.gz FBWZDSQGISDGTN-UHFFFAOYSA-N 1 0 367.471 2.282 20 5 FEBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000422734508 559604725 /nfs/dbraw/zinc/60/47/25/559604725.db2.gz SLBQDUBMOSHJKJ-GFCCVEGCSA-N 1 0 357.360 2.441 20 5 FEBDRO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423717732 559636864 /nfs/dbraw/zinc/63/68/64/559636864.db2.gz BFSXISNHNOQWOF-CYBMUJFWSA-N 1 0 355.398 2.200 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c2[nH]c2c(F)cccc2c3=O)C[C@H]1[NH3+] ZINC000423970173 559648398 /nfs/dbraw/zinc/64/83/98/559648398.db2.gz FRGZDLNKQKRANU-RFAUZJTJSA-N 1 0 357.360 2.379 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000423993550 559649520 /nfs/dbraw/zinc/64/95/20/559649520.db2.gz AWRWFDPMXMSLJQ-IEBWSBKVSA-N 1 0 361.442 2.272 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000424013991 559650950 /nfs/dbraw/zinc/65/09/50/559650950.db2.gz SKQUUZPJRBYLRA-DLBZAZTESA-N 1 0 359.357 2.066 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425415986 559701091 /nfs/dbraw/zinc/70/10/91/559701091.db2.gz HSDKPBNNVGVFOV-AWEZNQCLSA-N 1 0 372.263 2.246 20 5 FEBDRO CO[C@@H](C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000425434703 559702145 /nfs/dbraw/zinc/70/21/45/559702145.db2.gz QQIZCSICTUHSFQ-KRWDZBQOSA-N 1 0 359.430 2.408 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCO)C1CCOCC1 ZINC000425449767 559702880 /nfs/dbraw/zinc/70/28/80/559702880.db2.gz SZQMSTMXACPWRA-UHFFFAOYSA-N 1 0 359.220 2.331 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504299 559706445 /nfs/dbraw/zinc/70/64/45/559706445.db2.gz VJFDBBBRKKUARN-CQSZACIVSA-N 1 0 358.402 2.160 20 5 FEBDRO O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425661652 559713722 /nfs/dbraw/zinc/71/37/22/559713722.db2.gz YAHZBVINJAMXNU-MAUKXSAKSA-N 1 0 367.409 2.150 20 5 FEBDRO CCCN(CCN1CC[NH+](CC)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000426147576 559730453 /nfs/dbraw/zinc/73/04/53/559730453.db2.gz CHSXLUIKEFGKCI-UHFFFAOYSA-N 1 0 362.474 2.013 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427582255 559758279 /nfs/dbraw/zinc/75/82/79/559758279.db2.gz FCPGXHSMXZCUPE-CABZTGNLSA-N 1 0 361.320 2.264 20 5 FEBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000428951287 559786585 /nfs/dbraw/zinc/78/65/85/559786585.db2.gz ISYYQGDTSKJBNX-CMPLNLGQSA-N 1 0 370.247 2.404 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430617817 559824734 /nfs/dbraw/zinc/82/47/34/559824734.db2.gz PEWOJQKLOYIHCF-OAHLLOKOSA-N 1 0 358.398 2.357 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432178346 559853482 /nfs/dbraw/zinc/85/34/82/559853482.db2.gz QGRHMPZYPFIGSE-CQSZACIVSA-N 1 0 372.425 2.322 20 5 FEBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000434761400 559908628 /nfs/dbraw/zinc/90/86/28/559908628.db2.gz YDCIWMLTYZVZFV-IUODEOHRSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380626 559921805 /nfs/dbraw/zinc/92/18/05/559921805.db2.gz SAJGVYOASYYPTR-QWRGUYRKSA-N 1 0 359.373 2.416 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000435382512 559921893 /nfs/dbraw/zinc/92/18/93/559921893.db2.gz DMBAXTSPGLDLQT-LBPRGKRZSA-N 1 0 359.373 2.431 20 5 FEBDRO CCOc1ccc(NC(=O)CN(CC)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435628880 559926781 /nfs/dbraw/zinc/92/67/81/559926781.db2.gz WDIHSJWZESYRNS-CQSZACIVSA-N 1 0 364.446 2.396 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000438646582 559981704 /nfs/dbraw/zinc/98/17/04/559981704.db2.gz BPHDAOSQPNEIHN-ZDUSSCGKSA-N 1 0 353.444 2.032 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000443382518 560082777 /nfs/dbraw/zinc/08/27/77/560082777.db2.gz IOUVUFHGPCEHFO-HIFRSBDPSA-N 1 0 362.430 2.173 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000444261959 560107214 /nfs/dbraw/zinc/10/72/14/560107214.db2.gz HVTRAMOYXKXQNS-CYBMUJFWSA-N 1 0 353.444 2.095 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709895 560195430 /nfs/dbraw/zinc/19/54/30/560195430.db2.gz RVECXYBLSINJSB-PBHICJAKSA-N 1 0 355.398 2.342 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725662 560196757 /nfs/dbraw/zinc/19/67/57/560196757.db2.gz PORBUDDADREOKL-HIFRSBDPSA-N 1 0 355.398 2.342 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726842 560196768 /nfs/dbraw/zinc/19/67/68/560196768.db2.gz VGXFBQYRPPQKHP-HUUCEWRRSA-N 1 0 355.398 2.137 20 5 FEBDRO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000449145934 560218004 /nfs/dbraw/zinc/21/80/04/560218004.db2.gz ZPOBJCGWZULQJR-AWEZNQCLSA-N 1 0 355.460 2.432 20 5 FEBDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449167012 560218754 /nfs/dbraw/zinc/21/87/54/560218754.db2.gz HOXCYWAVTAGEFT-CQSZACIVSA-N 1 0 369.487 2.318 20 5 FEBDRO C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449350348 560226243 /nfs/dbraw/zinc/22/62/43/560226243.db2.gz VAPHOXJGOVGZKW-INIZCTEOSA-N 1 0 362.474 2.042 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449613352 560234770 /nfs/dbraw/zinc/23/47/70/560234770.db2.gz RSISWEHHAYJMLV-APPZFPTMSA-N 1 0 351.737 2.114 20 5 FEBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000449706400 560237510 /nfs/dbraw/zinc/23/75/10/560237510.db2.gz NANWBJBSNJYNPC-INIZCTEOSA-N 1 0 371.393 2.495 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000449719512 560238026 /nfs/dbraw/zinc/23/80/26/560238026.db2.gz LGGHAOGAKHFOGV-SECBINFHSA-N 1 0 370.125 2.367 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449931061 560245689 /nfs/dbraw/zinc/24/56/89/560245689.db2.gz XWALEBNSBCUYBF-ZFWWWQNUSA-N 1 0 357.414 2.335 20 5 FEBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096234 560250564 /nfs/dbraw/zinc/25/05/64/560250564.db2.gz GOCDAFRVMGKSFQ-DZGCQCFKSA-N 1 0 357.414 2.239 20 5 FEBDRO COCC[NH+]1CCC(Nc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450277123 560256751 /nfs/dbraw/zinc/25/67/51/560256751.db2.gz ORVMSIFVKNFIAG-UHFFFAOYSA-N 1 0 360.414 2.096 20 5 FEBDRO CCOC(=O)[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC000450574287 560266617 /nfs/dbraw/zinc/26/66/17/560266617.db2.gz ZOZBOJAGYSEBHY-OAHLLOKOSA-N 1 0 371.393 2.467 20 5 FEBDRO CS(=O)(=O)c1cccc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000450872965 560276288 /nfs/dbraw/zinc/27/62/88/560276288.db2.gz DFTYPRZLRYJKIL-UHFFFAOYSA-N 1 0 353.444 2.427 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309426 560299345 /nfs/dbraw/zinc/29/93/45/560299345.db2.gz WPCXAZDWJAFOID-UXLLHSPISA-N 1 0 350.415 2.355 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341109 560301398 /nfs/dbraw/zinc/30/13/98/560301398.db2.gz KRVNRUWYDRBXKH-ZHALLVOQSA-N 1 0 373.453 2.499 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451357823 560302433 /nfs/dbraw/zinc/30/24/33/560302433.db2.gz ZAINKDGLENSPAD-YFHUEUNASA-N 1 0 364.442 2.350 20 5 FEBDRO CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546733 560313887 /nfs/dbraw/zinc/31/38/87/560313887.db2.gz JNFNMYFRPWDUER-HNNXBMFYSA-N 1 0 355.460 2.056 20 5 FEBDRO CO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826204 560330956 /nfs/dbraw/zinc/33/09/56/560330956.db2.gz FENYPTNHAAPOGG-USXIJHARSA-N 1 0 350.415 2.224 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000451887772 560334781 /nfs/dbraw/zinc/33/47/81/560334781.db2.gz KFDPCYHGFZHHKU-UHFFFAOYSA-N 1 0 357.476 2.177 20 5 FEBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000452035610 560346966 /nfs/dbraw/zinc/34/69/66/560346966.db2.gz XBLQJRBCVGTOCN-BXUZGUMPSA-N 1 0 365.386 2.199 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452109021 560351827 /nfs/dbraw/zinc/35/18/27/560351827.db2.gz GHCLADVDDMPELM-HIFRSBDPSA-N 1 0 363.414 2.289 20 5 FEBDRO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CC2)C1 ZINC000452172064 560354642 /nfs/dbraw/zinc/35/46/42/560354642.db2.gz UJOHZSOIVYZNEQ-AWEZNQCLSA-N 1 0 356.426 2.492 20 5 FEBDRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000454104214 560429537 /nfs/dbraw/zinc/42/95/37/560429537.db2.gz XXLTUDBTGHSVLY-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO CCOc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458178774 560607112 /nfs/dbraw/zinc/60/71/12/560607112.db2.gz WPQWIPKYIJCQIX-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458194393 560608220 /nfs/dbraw/zinc/60/82/20/560608220.db2.gz QFZKMEGIIZGFTQ-CYBMUJFWSA-N 1 0 363.414 2.233 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000458297073 560613741 /nfs/dbraw/zinc/61/37/41/560613741.db2.gz RMDHIJKTMVYPNE-UHFFFAOYSA-N 1 0 365.365 2.212 20 5 FEBDRO C[C@@H]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000463737093 560822559 /nfs/dbraw/zinc/82/25/59/560822559.db2.gz DCCWXISGFMXXGG-RDBSUJKOSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1ccc(NC(=O)CN(CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000466991992 560901023 /nfs/dbraw/zinc/90/10/23/560901023.db2.gz UQPAWFSJLOSVCE-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000467134512 560904482 /nfs/dbraw/zinc/90/44/82/560904482.db2.gz XJZSQEOYGGYPIS-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCSC1 ZINC000467221017 560906683 /nfs/dbraw/zinc/90/66/83/560906683.db2.gz YVRAEBCGUFFABW-OAHLLOKOSA-N 1 0 372.878 2.485 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000469163348 560948830 /nfs/dbraw/zinc/94/88/30/560948830.db2.gz IEHCNACNZXFLCH-OLZOCXBDSA-N 1 0 371.459 2.097 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469234588 560950485 /nfs/dbraw/zinc/95/04/85/560950485.db2.gz HJJAOIZFZATJBT-UHFFFAOYSA-N 1 0 350.419 2.099 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469274418 560951576 /nfs/dbraw/zinc/95/15/76/560951576.db2.gz SICMMXOFFGUQAF-AWEZNQCLSA-N 1 0 374.441 2.384 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470150027 560975378 /nfs/dbraw/zinc/97/53/78/560975378.db2.gz GBQJHKOBNMRTRV-WBMJQRKESA-N 1 0 358.398 2.379 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470151120 560975574 /nfs/dbraw/zinc/97/55/74/560975574.db2.gz ZMMMDXXGPFBRKG-CYBMUJFWSA-N 1 0 367.425 2.129 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000470173733 560976030 /nfs/dbraw/zinc/97/60/30/560976030.db2.gz NFEFGKZBVVJADP-XCTGESOMSA-N 1 0 372.469 2.237 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173251 560976083 /nfs/dbraw/zinc/97/60/83/560976083.db2.gz KKXXVYRGWAELOO-LRFDDAOPSA-N 1 0 353.444 2.012 20 5 FEBDRO COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000472237466 561021627 /nfs/dbraw/zinc/02/16/27/561021627.db2.gz DHEVUEKCSLHQTF-GOEBONIOSA-N 1 0 350.419 2.235 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472538576 561028777 /nfs/dbraw/zinc/02/87/77/561028777.db2.gz IKYRMEHLUFOZHH-LBPRGKRZSA-N 1 0 366.393 2.053 20 5 FEBDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603151 561030712 /nfs/dbraw/zinc/03/07/12/561030712.db2.gz CDFYDYWQOPTZEY-HOTGVXAUSA-N 1 0 357.414 2.424 20 5 FEBDRO C[N@@H+]1CC[C@@H](Cn2nnnc2Sc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473514936 561051614 /nfs/dbraw/zinc/05/16/14/561051614.db2.gz ZMSRAMRSEPBZBB-LLVKDONJSA-N 1 0 371.426 2.232 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000473944651 561061466 /nfs/dbraw/zinc/06/14/66/561061466.db2.gz XXKSRVCKYCOERQ-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000473951915 561061777 /nfs/dbraw/zinc/06/17/77/561061777.db2.gz ULKUEXKETLCNEC-AWEZNQCLSA-N 1 0 357.476 2.466 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016477 561063632 /nfs/dbraw/zinc/06/36/32/561063632.db2.gz YHSIUYYXBIQNTB-ZWKOTPCHSA-N 1 0 364.398 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2csc(C)n2)cc1[N+](=O)[O-] ZINC000474341280 561071651 /nfs/dbraw/zinc/07/16/51/561071651.db2.gz ITANTKITJLKCML-UHFFFAOYSA-N 1 0 365.411 2.244 20 5 FEBDRO Cc1ccc(CCC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000474935940 561085827 /nfs/dbraw/zinc/08/58/27/561085827.db2.gz UOUDYAOMPAQJAY-UHFFFAOYSA-N 1 0 363.439 2.294 20 5 FEBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)cc1[N+](=O)[O-] ZINC000531556868 562449842 /nfs/dbraw/zinc/44/98/42/562449842.db2.gz QJCQALUQDKWGAB-UHFFFAOYSA-N 1 0 362.407 2.223 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000532252602 562471664 /nfs/dbraw/zinc/47/16/64/562471664.db2.gz OOSHRLUEBLMGMP-WMLDXEAASA-N 1 0 362.430 2.099 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533866997 562520232 /nfs/dbraw/zinc/52/02/32/562520232.db2.gz PKOUJXMGYUBTHU-CQSZACIVSA-N 1 0 357.414 2.455 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534250266 562528514 /nfs/dbraw/zinc/52/85/14/562528514.db2.gz KCUWCUSRIWQCGJ-UHFFFAOYSA-N 1 0 360.414 2.041 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000534272288 562529229 /nfs/dbraw/zinc/52/92/29/562529229.db2.gz UUFXZVOHPYDZMR-CQSZACIVSA-N 1 0 357.414 2.241 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000534827495 562543216 /nfs/dbraw/zinc/54/32/16/562543216.db2.gz LECVICBTNOKICC-CVEARBPZSA-N 1 0 364.471 2.287 20 5 FEBDRO Cn1cc(C[N@@H+]2CCSC[C@@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535825620 562569036 /nfs/dbraw/zinc/56/90/36/562569036.db2.gz INQIFTPNUOSYIQ-INIZCTEOSA-N 1 0 362.455 2.295 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536509122 562577412 /nfs/dbraw/zinc/57/74/12/562577412.db2.gz DGTNQOSPJFWQFC-ISTRZQFTSA-N 1 0 372.425 2.400 20 5 FEBDRO CC[NH+]1CCC(NC(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000540856533 562594561 /nfs/dbraw/zinc/59/45/61/562594561.db2.gz UJDXPOVVQFGKPJ-UHFFFAOYSA-N 1 0 357.414 2.059 20 5 FEBDRO COC(=O)c1cc(NC(=O)CCN(C)c2cc[nH+]cc2)cc([N+](=O)[O-])c1 ZINC000540928333 562597323 /nfs/dbraw/zinc/59/73/23/562597323.db2.gz VCOHWKRQMBEQMU-UHFFFAOYSA-N 1 0 358.354 2.241 20 5 FEBDRO CC(C)C(C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000556384939 674400179 /nfs/dbraw/zinc/40/01/79/674400179.db2.gz BWJGYWOSFBDSLR-UHFFFAOYSA-N 1 0 357.476 2.391 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000568145924 567941489 /nfs/dbraw/zinc/94/14/89/567941489.db2.gz UKHMXTHFXHLVRY-UHFFFAOYSA-N 1 0 363.462 2.306 20 5 FEBDRO COCCN(C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602526279 567987789 /nfs/dbraw/zinc/98/77/89/567987789.db2.gz GYJGHLIHEGSYHL-UHFFFAOYSA-N 1 0 352.254 2.087 20 5 FEBDRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000569072309 568270560 /nfs/dbraw/zinc/27/05/60/568270560.db2.gz CJEXEXFKOXEWTB-WUCCLRPBSA-N 1 0 370.475 2.220 20 5 FEBDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000541980843 568281316 /nfs/dbraw/zinc/28/13/16/568281316.db2.gz HWBXXHPGBJFYBS-KRWDZBQOSA-N 1 0 355.394 2.116 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569676461 568418118 /nfs/dbraw/zinc/41/81/18/568418118.db2.gz ICPSWJUSNHRTFC-HUUCEWRRSA-N 1 0 362.430 2.005 20 5 FEBDRO CC(C)NC(=O)NCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000570039984 568442774 /nfs/dbraw/zinc/44/27/74/568442774.db2.gz FVYLOBIXDBFFFQ-UHFFFAOYSA-N 1 0 350.419 2.146 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000823645932 607481094 /nfs/dbraw/zinc/48/10/94/607481094.db2.gz WRKRBVYBFYBQRC-UHFFFAOYSA-N 1 0 358.333 2.083 20 5 FEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000809821049 674512512 /nfs/dbraw/zinc/51/25/12/674512512.db2.gz HHFQCVBJYICEOP-BDAKNGLRSA-N 1 0 365.814 2.148 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815733 674511879 /nfs/dbraw/zinc/51/18/79/674511879.db2.gz PPHWMTBRXRHKOL-SECBINFHSA-N 1 0 365.814 2.007 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC12CCOCC2 ZINC000563162845 674848808 /nfs/dbraw/zinc/84/88/08/674848808.db2.gz NWROVPZCYJOWMK-LLVKDONJSA-N 1 0 353.806 2.076 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000563435785 674887447 /nfs/dbraw/zinc/88/74/47/674887447.db2.gz CCUFICDZGYRSSP-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)cc1[N+](=O)[O-] ZINC000563445236 674889824 /nfs/dbraw/zinc/88/98/24/674889824.db2.gz AXVMTXFWQKHNPG-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(C)cc1[N+](=O)[O-] ZINC000563821448 674942700 /nfs/dbraw/zinc/94/27/00/674942700.db2.gz JKXBJZDVPMOEOR-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857743 675069049 /nfs/dbraw/zinc/06/90/49/675069049.db2.gz XXLPJTLFAFBHBM-OAGGEKHMSA-N 1 0 351.447 2.187 20 5 FEBDRO COCC[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000565060454 675091225 /nfs/dbraw/zinc/09/12/25/675091225.db2.gz BJVHEPPEOPQRBB-UHFFFAOYSA-N 1 0 359.373 2.397 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077850528 670576815 /nfs/dbraw/zinc/57/68/15/670576815.db2.gz MBIGCFUAIXUALR-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000570575061 670734517 /nfs/dbraw/zinc/73/45/17/670734517.db2.gz IGQDVWBKQTYJOK-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000571679249 670910668 /nfs/dbraw/zinc/91/06/68/670910668.db2.gz BIPXRYZCBBLXTL-JTQLQIEISA-N 1 0 364.146 2.084 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cc1[N+](=O)[O-] ZINC000571881124 670936029 /nfs/dbraw/zinc/93/60/29/670936029.db2.gz LRZHHMQLRLLQNQ-AWEZNQCLSA-N 1 0 362.407 2.228 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000573357264 671112824 /nfs/dbraw/zinc/11/28/24/671112824.db2.gz SGSGHQNPNMGESP-ZDUSSCGKSA-N 1 0 353.444 2.056 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000575141165 671301113 /nfs/dbraw/zinc/30/11/13/671301113.db2.gz LPDLPQZNWYOSIT-ZDUSSCGKSA-N 1 0 365.821 2.497 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000576540455 671375837 /nfs/dbraw/zinc/37/58/37/671375837.db2.gz BBWUCIFMBJDDFT-OCCSQVGLSA-N 1 0 352.391 2.118 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000579756110 671758302 /nfs/dbraw/zinc/75/83/02/671758302.db2.gz IPMDWSMAZRVSMC-ZDUSSCGKSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1ccccc1OCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000580120241 671784033 /nfs/dbraw/zinc/78/40/33/671784033.db2.gz UHOVYTMQMINXOH-UHFFFAOYSA-N 1 0 364.423 2.346 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000580839051 671839141 /nfs/dbraw/zinc/83/91/41/671839141.db2.gz LQCIXYJDXPZOPE-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580900064 671844491 /nfs/dbraw/zinc/84/44/91/671844491.db2.gz GCZAHSZMWVASRT-SCZZXKLOSA-N 1 0 367.349 2.114 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000582004282 671958276 /nfs/dbraw/zinc/95/82/76/671958276.db2.gz KJORAZGDVRAQHM-WBVHZDCISA-N 1 0 367.833 2.146 20 5 FEBDRO Cc1ccsc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000126767531 672028589 /nfs/dbraw/zinc/02/85/89/672028589.db2.gz AEMQAMWOBSRRIH-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000582724382 672028676 /nfs/dbraw/zinc/02/86/76/672028676.db2.gz QOQDKEDTDJTEEH-ZDUSSCGKSA-N 1 0 355.460 2.120 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC000132316993 672096870 /nfs/dbraw/zinc/09/68/70/672096870.db2.gz QKVRJECTYRMSLM-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000133484426 672111131 /nfs/dbraw/zinc/11/11/31/672111131.db2.gz JFZXTWCZWKSPCD-JTQLQIEISA-N 1 0 370.837 2.279 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000610577019 675982500 /nfs/dbraw/zinc/98/25/00/675982500.db2.gz WCEJKMXCUSANRG-AWEZNQCLSA-N 1 0 355.460 2.310 20 5 FEBDRO CC(C)[NH2+]Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000162519907 672304833 /nfs/dbraw/zinc/30/48/33/672304833.db2.gz AZMNWSUBOBPASQ-UHFFFAOYSA-N 1 0 354.208 2.495 20 5 FEBDRO COc1cc(C(=O)NC2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590356303 672574940 /nfs/dbraw/zinc/57/49/40/672574940.db2.gz ZQDMFSOHUILHER-UHFFFAOYSA-N 1 0 359.329 2.027 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000590588913 672592829 /nfs/dbraw/zinc/59/28/29/672592829.db2.gz CPSRNTPOSAKFDY-UHFFFAOYSA-N 1 0 361.439 2.439 20 5 FEBDRO CN(C)C(=O)N[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590764167 672615100 /nfs/dbraw/zinc/61/51/00/672615100.db2.gz BKNYPKZCAKZWHS-AWEZNQCLSA-N 1 0 350.419 2.099 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000591334162 672672323 /nfs/dbraw/zinc/67/23/23/672672323.db2.gz ICJQFYWZQYZTSI-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591749734 672707539 /nfs/dbraw/zinc/70/75/39/672707539.db2.gz JINCSHDINHILOH-CWKUUYADSA-N 1 0 370.471 2.004 20 5 FEBDRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182507 672768024 /nfs/dbraw/zinc/76/80/24/672768024.db2.gz BQRHDPVYGGMUNW-LSDHHAIUSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592367829 672792550 /nfs/dbraw/zinc/79/25/50/672792550.db2.gz ZGMQZXVOQQDGHY-JTQLQIEISA-N 1 0 367.349 2.034 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592387500 672796244 /nfs/dbraw/zinc/79/62/44/672796244.db2.gz MKFDYLYOJFAECV-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390395 672796810 /nfs/dbraw/zinc/79/68/10/672796810.db2.gz IEACXPOQZARVLW-HUUCEWRRSA-N 1 0 367.471 2.304 20 5 FEBDRO [NH3+]C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000237934406 672813591 /nfs/dbraw/zinc/81/35/91/672813591.db2.gz SHLHRDYGAGDXGE-LBPRGKRZSA-N 1 0 361.851 2.434 20 5 FEBDRO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593666254 672974216 /nfs/dbraw/zinc/97/42/16/672974216.db2.gz OIMCZPSLXPJLEX-UHFFFAOYSA-N 1 0 361.851 2.355 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027710 673022587 /nfs/dbraw/zinc/02/25/87/673022587.db2.gz YPWOIYUAUNUGIT-QAPCUYQASA-N 1 0 350.415 2.368 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612617006 676090486 /nfs/dbraw/zinc/09/04/86/676090486.db2.gz YJHBLRDACMGTSZ-ZDUSSCGKSA-N 1 0 352.366 2.109 20 5 FEBDRO C[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594097802 673030835 /nfs/dbraw/zinc/03/08/35/673030835.db2.gz CIIGENXSTJBLJX-MCIONIFRSA-N 1 0 367.471 2.301 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485069 673089031 /nfs/dbraw/zinc/08/90/31/673089031.db2.gz VQNQBPULZLHRPK-NVXWUHKLSA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594576059 673101390 /nfs/dbraw/zinc/10/13/90/673101390.db2.gz ZEMLNRVJIIOINF-WBVHZDCISA-N 1 0 350.415 2.416 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000594592321 673104149 /nfs/dbraw/zinc/10/41/49/673104149.db2.gz UWKPXWKDBKQVOS-UHFFFAOYSA-N 1 0 350.419 2.395 20 5 FEBDRO CC[NH2+]Cc1ccn(Cc2cn(-c3ccc(Cl)cc3[N+](=O)[O-])nn2)n1 ZINC000594650893 673108762 /nfs/dbraw/zinc/10/87/62/673108762.db2.gz AMGNPEOHQCDFMN-UHFFFAOYSA-N 1 0 361.793 2.183 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000594854283 673164917 /nfs/dbraw/zinc/16/49/17/673164917.db2.gz INJLISINZUMJMF-HNNXBMFYSA-N 1 0 367.471 2.421 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595116304 673196168 /nfs/dbraw/zinc/19/61/68/673196168.db2.gz OOZNVENYWAJIAP-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595117053 673196230 /nfs/dbraw/zinc/19/62/30/673196230.db2.gz DVEYWRLCOQKJQB-IUODEOHRSA-N 1 0 355.460 2.431 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595117889 673196614 /nfs/dbraw/zinc/19/66/14/673196614.db2.gz FCHCPVIHLBTCBX-TZMCWYRMSA-N 1 0 355.460 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000595345891 673228942 /nfs/dbraw/zinc/22/89/42/673228942.db2.gz QNUQIUPZQYIAAN-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595779969 673324459 /nfs/dbraw/zinc/32/44/59/673324459.db2.gz HBEGXAJSWHZFBL-QCZZGDTMSA-N 1 0 353.806 2.468 20 5 FEBDRO COc1ccc(CSCC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595966495 673344812 /nfs/dbraw/zinc/34/48/12/673344812.db2.gz HRRDNGOAJLTWGC-UHFFFAOYSA-N 1 0 353.444 2.224 20 5 FEBDRO CCC(CC)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000596070306 673355803 /nfs/dbraw/zinc/35/58/03/673355803.db2.gz APHUQSSFJSDNLP-AWEZNQCLSA-N 1 0 358.464 2.021 20 5 FEBDRO COc1ccc(C[C@](C)([NH3+])CNc2c(Cl)cncc2[N+](=O)[O-])cc1 ZINC000596174374 673365024 /nfs/dbraw/zinc/36/50/24/673365024.db2.gz GXGDJVQNBXPEJD-INIZCTEOSA-N 1 0 350.806 2.446 20 5 FEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596259772 673372396 /nfs/dbraw/zinc/37/23/96/673372396.db2.gz WYLDNMVKSHHMHK-AWEZNQCLSA-N 1 0 370.475 2.165 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000537964767 673415534 /nfs/dbraw/zinc/41/55/34/673415534.db2.gz CRQHQQBFGHBXOS-ZDUSSCGKSA-N 1 0 355.460 2.368 20 5 FEBDRO CS[C@H]1CN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)C[C@H]1[NH+](C)C ZINC000597101423 673448079 /nfs/dbraw/zinc/44/80/79/673448079.db2.gz QMPRYGIXMWTKMY-NEPJUHHUSA-N 1 0 373.866 2.340 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000540192708 673527133 /nfs/dbraw/zinc/52/71/33/673527133.db2.gz NNPNFNZLOHKVCA-LSDHHAIUSA-N 1 0 367.471 2.432 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000598465133 673572668 /nfs/dbraw/zinc/57/26/68/673572668.db2.gz DNYZDPVEONYBFI-UHFFFAOYSA-N 1 0 351.403 2.232 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610406 673590058 /nfs/dbraw/zinc/59/00/58/673590058.db2.gz BDRPPIQIVTTXQY-HIFRSBDPSA-N 1 0 367.471 2.459 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000542737483 673600508 /nfs/dbraw/zinc/60/05/08/673600508.db2.gz QREZCOIQTDAJSU-UHFFFAOYSA-N 1 0 355.460 2.403 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598715222 673602634 /nfs/dbraw/zinc/60/26/34/673602634.db2.gz NFVFJCINWGUPOM-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598722098 673603350 /nfs/dbraw/zinc/60/33/50/673603350.db2.gz ZAVFKESTPWWHKV-HZMBPMFUSA-N 1 0 359.835 2.059 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000543026237 673621097 /nfs/dbraw/zinc/62/10/97/673621097.db2.gz AYYWJRYQXVGRRX-UHFFFAOYSA-N 1 0 351.451 2.303 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000543208305 673632801 /nfs/dbraw/zinc/63/28/01/673632801.db2.gz SJBJYCRBKXHCEI-ZBFHGGJFSA-N 1 0 369.487 2.173 20 5 FEBDRO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599125761 673635182 /nfs/dbraw/zinc/63/51/82/673635182.db2.gz BGITUJMYXZQDKD-CQSZACIVSA-N 1 0 368.459 2.061 20 5 FEBDRO CCC1([NH+]2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000599182830 673639251 /nfs/dbraw/zinc/63/92/51/673639251.db2.gz CXCQEMMGSDPXAF-UHFFFAOYSA-N 1 0 352.410 2.397 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000543677044 673661015 /nfs/dbraw/zinc/66/10/15/673661015.db2.gz WXJBZYFYOVDDHG-OCCSQVGLSA-N 1 0 355.460 2.315 20 5 FEBDRO [NH3+]CCCOCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000599605140 673696790 /nfs/dbraw/zinc/69/67/90/673696790.db2.gz SYYYWOPZPXBXNH-UHFFFAOYSA-N 1 0 350.297 2.101 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599691431 673706520 /nfs/dbraw/zinc/70/65/20/673706520.db2.gz BUVQLQWSKQRGIQ-GFCCVEGCSA-N 1 0 352.341 2.099 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000544474113 673713684 /nfs/dbraw/zinc/71/36/84/673713684.db2.gz ZJMTXKUIYHEMNX-AGIUHOORSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000544663218 673724442 /nfs/dbraw/zinc/72/44/42/673724442.db2.gz QEJGKINISKNRKJ-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000600086346 673739782 /nfs/dbraw/zinc/73/97/82/673739782.db2.gz NALWVFMWGUGSCI-AOOOYVTPSA-N 1 0 356.220 2.427 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000546093757 673791655 /nfs/dbraw/zinc/79/16/55/673791655.db2.gz ZWYMKUJUPDOZTR-KBPBESRZSA-N 1 0 355.460 2.277 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])s1 ZINC000601344429 673845733 /nfs/dbraw/zinc/84/57/33/673845733.db2.gz ZIUPECOHQXJYND-CYBMUJFWSA-N 1 0 373.500 2.365 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601355286 673847168 /nfs/dbraw/zinc/84/71/68/673847168.db2.gz NAXYKFYYEKCRKE-ZYHUDNBSSA-N 1 0 361.489 2.458 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000601428612 673860757 /nfs/dbraw/zinc/86/07/57/673860757.db2.gz NWMBBNJHPRWRCO-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1(O)CCOCC1 ZINC000601956383 673900077 /nfs/dbraw/zinc/90/00/77/673900077.db2.gz RCBKGRHAGALJDE-QGZVFWFLSA-N 1 0 352.431 2.098 20 5 FEBDRO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000602534917 673907334 /nfs/dbraw/zinc/90/73/34/673907334.db2.gz VMHUFYYLXRYYND-LBPRGKRZSA-N 1 0 354.204 2.372 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000602540658 673907745 /nfs/dbraw/zinc/90/77/45/673907745.db2.gz MQORCDZMOBBGBG-CABZTGNLSA-N 1 0 361.320 2.203 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)c1 ZINC000602569222 673907995 /nfs/dbraw/zinc/90/79/95/673907995.db2.gz PMAMPOVLNCIQTP-UHFFFAOYSA-N 1 0 358.324 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1 ZINC000602880475 673912622 /nfs/dbraw/zinc/91/26/22/673912622.db2.gz GGICSOMSKREBAG-KRWDZBQOSA-N 1 0 351.472 2.235 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000602892503 673913086 /nfs/dbraw/zinc/91/30/86/673913086.db2.gz SBKKUPGSWVZPPR-RDJZCZTQSA-N 1 0 350.415 2.403 20 5 FEBDRO CCC1([NH+](C)C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000602966805 673914738 /nfs/dbraw/zinc/91/47/38/673914738.db2.gz RMIMSEAGXGPPIP-OAHLLOKOSA-N 1 0 351.447 2.141 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000747377561 673924715 /nfs/dbraw/zinc/92/47/15/673924715.db2.gz YZDDIQYECUKBJJ-HFBAOOFYSA-N 1 0 351.378 2.058 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549079374 674015517 /nfs/dbraw/zinc/01/55/17/674015517.db2.gz YYOWTJLJSBCOEL-NSHDSACASA-N 1 0 359.329 2.246 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818522483 675222812 /nfs/dbraw/zinc/22/28/12/675222812.db2.gz XPFNCZWVZBEXSG-AAEUAGOBSA-N 1 0 350.375 2.367 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCCO2)cc1 ZINC000566851355 675247610 /nfs/dbraw/zinc/24/76/10/675247610.db2.gz DFWBUFJAIRDKMZ-OAHLLOKOSA-N 1 0 356.444 2.307 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819211214 675270164 /nfs/dbraw/zinc/27/01/64/675270164.db2.gz WOSMKRJAXBLLFO-KRWDZBQOSA-N 1 0 364.423 2.212 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cc(F)cnc1Cl ZINC000819339252 675282884 /nfs/dbraw/zinc/28/28/84/675282884.db2.gz MRJJXFDMQTVXKC-LBPRGKRZSA-N 1 0 355.753 2.312 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCS1(=O)=O ZINC000615721253 676225328 /nfs/dbraw/zinc/22/53/28/676225328.db2.gz OBRKYUCSOLMJEE-SDNWHVSQSA-N 1 0 353.444 2.013 20 5 FEBDRO CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000824835544 675624770 /nfs/dbraw/zinc/62/47/70/675624770.db2.gz XASQMVFTJGJEIC-SNVBAGLBSA-N 1 0 371.235 2.106 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000825769641 675668081 /nfs/dbraw/zinc/66/80/81/675668081.db2.gz AKNMFNMPUFDBAC-LBPRGKRZSA-N 1 0 350.394 2.014 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000603777257 675801390 /nfs/dbraw/zinc/80/13/90/675801390.db2.gz GQUJENZSMNPVRJ-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000603854364 675801784 /nfs/dbraw/zinc/80/17/84/675801784.db2.gz WKCPFXAYODNAGO-QWHCGFSZSA-N 1 0 370.475 2.178 20 5 FEBDRO O=C(Nc1nncs1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603896570 675801817 /nfs/dbraw/zinc/80/18/17/675801817.db2.gz HVOAMIQJGQVPBD-UHFFFAOYSA-N 1 0 361.427 2.340 20 5 FEBDRO CCC[NH+]1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000604507773 675805709 /nfs/dbraw/zinc/80/57/09/675805709.db2.gz DKTSNNCRRXJMQN-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000829235354 675871273 /nfs/dbraw/zinc/87/12/73/675871273.db2.gz HTJXQFSNTRMWOX-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000829674058 675886978 /nfs/dbraw/zinc/88/69/78/675886978.db2.gz QUJBUIGPFHKSTQ-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOCC(F)(F)C(F)F)OCCO2 ZINC000618068875 676318491 /nfs/dbraw/zinc/31/84/91/676318491.db2.gz UVFZLXDUMRNWRG-UHFFFAOYSA-N 1 0 368.283 2.373 20 5 FEBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000618305596 676330057 /nfs/dbraw/zinc/33/00/57/676330057.db2.gz HZKCCTQNULOXDR-HOTGVXAUSA-N 1 0 361.471 2.483 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000619484403 676380123 /nfs/dbraw/zinc/38/01/23/676380123.db2.gz STPKHHIAQJHHHC-CQSZACIVSA-N 1 0 373.475 2.248 20 5 FEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000830022826 677022020 /nfs/dbraw/zinc/02/20/20/677022020.db2.gz NFGNOGCUIIIGAW-GOEBONIOSA-N 1 0 367.446 2.363 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830452065 677040520 /nfs/dbraw/zinc/04/05/20/677040520.db2.gz XGFVQBVHSZPHEB-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000839175622 680743067 /nfs/dbraw/zinc/74/30/67/680743067.db2.gz XCJZVHGKWRIUAD-MRXNPFEDSA-N 1 0 350.415 2.409 20 5 FEBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC000839468277 680754464 /nfs/dbraw/zinc/75/44/64/680754464.db2.gz VFLPDZFBVPMJAH-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839471612 680754792 /nfs/dbraw/zinc/75/47/92/680754792.db2.gz WPHCTLFVHJVCSU-NSHDSACASA-N 1 0 368.821 2.033 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000765491604 680843885 /nfs/dbraw/zinc/84/38/85/680843885.db2.gz WBVVUGCSEZFVBI-DZGCQCFKSA-N 1 0 370.247 2.393 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000748284347 679949075 /nfs/dbraw/zinc/94/90/75/679949075.db2.gz YZJLZIGKMFSMBI-HNNXBMFYSA-N 1 0 370.431 2.153 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000748727834 679990012 /nfs/dbraw/zinc/99/00/12/679990012.db2.gz DHUHLKNEUQKOJI-GFCCVEGCSA-N 1 0 350.375 2.273 20 5 FEBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)C[NH+](C)C ZINC000831713904 680030763 /nfs/dbraw/zinc/03/07/63/680030763.db2.gz QXQYEUHNHVKYHC-AWEZNQCLSA-N 1 0 353.419 2.079 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139863 680100994 /nfs/dbraw/zinc/10/09/94/680100994.db2.gz PQOWJKIZGPPSFD-ZHSDAYTOSA-N 1 0 358.225 2.395 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2ccc(Cl)cc2)CC1 ZINC000981138009 680217125 /nfs/dbraw/zinc/21/71/25/680217125.db2.gz KTPYQALTCBJHFM-HZPDHXFCSA-N 1 0 351.834 2.082 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000752449587 680243200 /nfs/dbraw/zinc/24/32/00/680243200.db2.gz YVKJSIMXHCEPHY-ZDUSSCGKSA-N 1 0 370.427 2.030 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000997770995 680365606 /nfs/dbraw/zinc/36/56/06/680365606.db2.gz FAKJTSIREKMNOM-UKRRQHHQSA-N 1 0 369.824 2.473 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000997768750 680365869 /nfs/dbraw/zinc/36/58/69/680365869.db2.gz JINGCLRIZIZHDR-GDBMZVCRSA-N 1 0 369.824 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000836746802 680506813 /nfs/dbraw/zinc/50/68/13/680506813.db2.gz PSPYLHQAYBXISO-CYBMUJFWSA-N 1 0 367.833 2.351 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(CCO)C(C)(C)C2)cc1Cl ZINC000836785145 680513682 /nfs/dbraw/zinc/51/36/82/680513682.db2.gz WVAUMDQKLOMUOQ-UHFFFAOYSA-N 1 0 355.822 2.085 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000836855054 680522835 /nfs/dbraw/zinc/52/28/35/680522835.db2.gz FIIFXESHPPYZDT-UHFFFAOYSA-N 1 0 351.432 2.450 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758152542 680557692 /nfs/dbraw/zinc/55/76/92/680557692.db2.gz YKWOKZWHNMQEQP-AWEZNQCLSA-N 1 0 351.378 2.107 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000842162771 680929617 /nfs/dbraw/zinc/92/96/17/680929617.db2.gz ICPJOXLEMSUSNT-NWDGAFQWSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000842484067 680950385 /nfs/dbraw/zinc/95/03/85/680950385.db2.gz XDAFWJFGAUEVMJ-ZDUSSCGKSA-N 1 0 361.851 2.223 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769390251 680980535 /nfs/dbraw/zinc/98/05/35/680980535.db2.gz SOTMTCGNVQPGPI-DZGCQCFKSA-N 1 0 351.403 2.227 20 5 FEBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843101331 680987812 /nfs/dbraw/zinc/98/78/12/680987812.db2.gz NWBVIZVQZYXFHA-UMVBOHGHSA-N 1 0 350.371 2.029 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccncc2Cl)c1 ZINC000843115190 680988677 /nfs/dbraw/zinc/98/86/77/680988677.db2.gz RPRKXHMZIWKUHV-SJCJKPOMSA-N 1 0 365.817 2.117 20 5 FEBDRO COc1cc(Cc2noc(CC[NH2+]C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225290 680993403 /nfs/dbraw/zinc/99/34/03/680993403.db2.gz GGGYAESAMIKYDN-UHFFFAOYSA-N 1 0 350.375 2.126 20 5 FEBDRO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843363432 680999830 /nfs/dbraw/zinc/99/98/30/680999830.db2.gz GGCZQZYBTZAIDU-UHFFFAOYSA-N 1 0 352.822 2.262 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000769905414 680999893 /nfs/dbraw/zinc/99/98/93/680999893.db2.gz JHRBAVLEVMSMTG-SNVBAGLBSA-N 1 0 361.851 2.177 20 5 FEBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377332 681000620 /nfs/dbraw/zinc/00/06/20/681000620.db2.gz USHVHVAJUIPQCT-AWEZNQCLSA-N 1 0 354.838 2.068 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770008295 681002842 /nfs/dbraw/zinc/00/28/42/681002842.db2.gz VJYUZUHXSUGGSK-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843469319 681005363 /nfs/dbraw/zinc/00/53/63/681005363.db2.gz MLMHDJVPNHBEDE-AOOOYVTPSA-N 1 0 372.194 2.463 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000843501232 681007309 /nfs/dbraw/zinc/00/73/09/681007309.db2.gz FZOVNAIQKXJHBD-KWBADKCTSA-N 1 0 350.375 2.257 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000771555072 681059468 /nfs/dbraw/zinc/05/94/68/681059468.db2.gz CVBSVUHBXVUPDZ-GFCCVEGCSA-N 1 0 359.423 2.193 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000844640213 681069645 /nfs/dbraw/zinc/06/96/45/681069645.db2.gz HFQHXNSXGWAKMO-YUSALJHKSA-N 1 0 350.375 2.365 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1F ZINC000846230988 681205458 /nfs/dbraw/zinc/20/54/58/681205458.db2.gz JFFDWWNPAIUWMX-MFKMUULPSA-N 1 0 359.423 2.180 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@H]2CC1 ZINC000946589098 681243974 /nfs/dbraw/zinc/24/39/74/681243974.db2.gz FYSDVPOSMHEONU-RFXRVCHDSA-N 1 0 362.257 2.141 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933241565 681379228 /nfs/dbraw/zinc/37/92/28/681379228.db2.gz AFFNZRPJPYFWBM-ZDUSSCGKSA-N 1 0 358.320 2.442 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCSC1 ZINC000934080677 681506595 /nfs/dbraw/zinc/50/65/95/681506595.db2.gz ZLTHZFGHUNBXGX-INIZCTEOSA-N 1 0 355.435 2.220 20 5 FEBDRO COCC[N@H+](C)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848674578 681597083 /nfs/dbraw/zinc/59/70/83/681597083.db2.gz GJAOLLKRGVHTSV-LLVKDONJSA-N 1 0 357.457 2.236 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000935107939 681689316 /nfs/dbraw/zinc/68/93/16/681689316.db2.gz SBLJNDLTAZTVDK-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000849460979 681747271 /nfs/dbraw/zinc/74/72/71/681747271.db2.gz LBYQWTMZELYACZ-GFCCVEGCSA-N 1 0 371.434 2.419 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000780716194 681864813 /nfs/dbraw/zinc/86/48/13/681864813.db2.gz PMZYLOJEPOFGNW-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000781595822 681951391 /nfs/dbraw/zinc/95/13/91/681951391.db2.gz YNWHQIRCCMPFCT-LBPRGKRZSA-N 1 0 350.375 2.036 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000917838110 685534985 /nfs/dbraw/zinc/53/49/85/685534985.db2.gz IDBYRRIGEUEYRY-NSHDSACASA-N 1 0 350.375 2.416 20 5 FEBDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584644 682304931 /nfs/dbraw/zinc/30/49/31/682304931.db2.gz PJKTVMJCRTXPRT-HERUPUMHSA-N 1 0 353.806 2.468 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000788913355 682565451 /nfs/dbraw/zinc/56/54/51/682565451.db2.gz NWFFQQJOTFOANE-WCQYABFASA-N 1 0 373.450 2.441 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639579 682574011 /nfs/dbraw/zinc/57/40/11/682574011.db2.gz COMLDTARUGXDSK-CABCVRRESA-N 1 0 353.806 2.183 20 5 FEBDRO C[NH+](C)Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000790009832 682645915 /nfs/dbraw/zinc/64/59/15/682645915.db2.gz ZOPFIDFBPMUWDI-UHFFFAOYSA-N 1 0 364.379 2.237 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791209253 682728632 /nfs/dbraw/zinc/72/86/32/682728632.db2.gz LMQLBQLJLBQWIV-GFCCVEGCSA-N 1 0 352.410 2.262 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000791208346 682728716 /nfs/dbraw/zinc/72/87/16/682728716.db2.gz IBKDRQABLOLDGR-UHFFFAOYSA-N 1 0 352.410 2.404 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791328826 682734850 /nfs/dbraw/zinc/73/48/50/682734850.db2.gz XIXHSCAWJGCEAT-VXGBXAGGSA-N 1 0 352.410 2.414 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCO1 ZINC000857681123 682904061 /nfs/dbraw/zinc/90/40/61/682904061.db2.gz YYQDZANLMAXYEE-LLVKDONJSA-N 1 0 357.357 2.056 20 5 FEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763069 682910687 /nfs/dbraw/zinc/91/06/87/682910687.db2.gz NYUAHHKAUFJVCR-LLVKDONJSA-N 1 0 355.341 2.357 20 5 FEBDRO O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767043 682911118 /nfs/dbraw/zinc/91/11/18/682911118.db2.gz WXGVTPMBTAZTBE-TXEJJXNPSA-N 1 0 355.341 2.024 20 5 FEBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000858622461 682986765 /nfs/dbraw/zinc/98/67/65/682986765.db2.gz DPOVWUWHURWZNO-UHFFFAOYSA-N 1 0 365.386 2.334 20 5 FEBDRO Cc1sc(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181755 683090224 /nfs/dbraw/zinc/09/02/24/683090224.db2.gz CPOLKCRINCOWQR-MDRZDLKXSA-N 1 0 367.471 2.174 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[N@H+](C)C1CC1 ZINC000795819810 683095025 /nfs/dbraw/zinc/09/50/25/683095025.db2.gz UVOYAVTXBOBBGC-MRVPVSSYSA-N 1 0 365.814 2.148 20 5 FEBDRO Cc1c(C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000926270482 683101549 /nfs/dbraw/zinc/10/15/49/683101549.db2.gz PZMVAOIOSPNWAZ-CYBMUJFWSA-N 1 0 355.460 2.053 20 5 FEBDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553018 683170624 /nfs/dbraw/zinc/17/06/24/683170624.db2.gz NOCXTSOKOXWBKH-HZPDHXFCSA-N 1 0 351.403 2.181 20 5 FEBDRO C[C@H](C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097968 683201697 /nfs/dbraw/zinc/20/16/97/683201697.db2.gz XFAMFPGCJCKJHL-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798160720 683315981 /nfs/dbraw/zinc/31/59/81/683315981.db2.gz NMGDLVTZFIKLGB-SNVBAGLBSA-N 1 0 371.235 2.214 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090402 683379541 /nfs/dbraw/zinc/37/95/41/683379541.db2.gz HXVZCQBHECDNAS-CVEARBPZSA-N 1 0 360.439 2.386 20 5 FEBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339748 683391425 /nfs/dbraw/zinc/39/14/25/683391425.db2.gz BYMCWVNKKMKPIP-CJNGLKHVSA-N 1 0 354.428 2.339 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861741973 683463880 /nfs/dbraw/zinc/46/38/80/683463880.db2.gz CCEVJBBAJYDNOB-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cn1 ZINC000929171158 683556622 /nfs/dbraw/zinc/55/66/22/683556622.db2.gz GXHAFDMQKLIQPH-QWHCGFSZSA-N 1 0 360.336 2.222 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000921992225 683633052 /nfs/dbraw/zinc/63/30/52/683633052.db2.gz ZUUOOFJILMCTBD-RRFJBIMHSA-N 1 0 368.455 2.163 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000863498085 683734988 /nfs/dbraw/zinc/73/49/88/683734988.db2.gz CXDDVFLKPACMGJ-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930684690 683770971 /nfs/dbraw/zinc/77/09/71/683770971.db2.gz QDBGELFJGCQIOY-GJZGRUSLSA-N 1 0 357.451 2.047 20 5 FEBDRO CN(C)[C@@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000922754236 683777453 /nfs/dbraw/zinc/77/74/53/683777453.db2.gz WMQHHMYNKPKTBW-AWEZNQCLSA-N 1 0 363.336 2.338 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865131131 683940082 /nfs/dbraw/zinc/94/00/82/683940082.db2.gz TVEMURFCUHRSDF-GFCCVEGCSA-N 1 0 370.247 2.452 20 5 FEBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000865440173 683983246 /nfs/dbraw/zinc/98/32/46/683983246.db2.gz KUWGIZBFFATIEH-AWEZNQCLSA-N 1 0 353.394 2.282 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865858882 684037453 /nfs/dbraw/zinc/03/74/53/684037453.db2.gz LNMXUEBBFRKCTI-GFCCVEGCSA-N 1 0 370.247 2.310 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000866295433 684090103 /nfs/dbraw/zinc/09/01/03/684090103.db2.gz BSODXSUVSPEUNB-SKDRFNHKSA-N 1 0 363.311 2.418 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931311157 684259584 /nfs/dbraw/zinc/25/95/84/684259584.db2.gz OETGWLDNWZPCDP-IRXDYDNUSA-N 1 0 366.849 2.460 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000867618771 684333401 /nfs/dbraw/zinc/33/34/01/684333401.db2.gz KKBOKXSSPNTIOH-UHFFFAOYSA-N 1 0 367.471 2.232 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000867680787 684350732 /nfs/dbraw/zinc/35/07/32/684350732.db2.gz GYPLBUNPDHDSMT-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC000868003882 684438350 /nfs/dbraw/zinc/43/83/50/684438350.db2.gz HRYXHFDPUBQMMB-SECBINFHSA-N 1 0 356.220 2.475 20 5 FEBDRO CCC1([NH+]2CCC2)CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000924378431 684440902 /nfs/dbraw/zinc/44/09/02/684440902.db2.gz VKJIYWVYGKWGAB-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1csc(C2CC[NH2+]CC2)n1 ZINC000870894095 684767302 /nfs/dbraw/zinc/76/73/02/684767302.db2.gz HMHFDSYKYUFFMF-UHFFFAOYSA-N 1 0 360.439 2.491 20 5 FEBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC1(C)C ZINC000871154797 684791655 /nfs/dbraw/zinc/79/16/55/684791655.db2.gz JJXLGCUUIXVBGV-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000872662242 684999897 /nfs/dbraw/zinc/99/98/97/684999897.db2.gz HAPVKSVRJBFFGF-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924280 686295877 /nfs/dbraw/zinc/29/58/77/686295877.db2.gz KWPWRHHMAUFPGZ-AWEZNQCLSA-N 1 0 354.204 2.325 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877113467 686327417 /nfs/dbraw/zinc/32/74/17/686327417.db2.gz LRFYBPAYFLPAQU-CYBMUJFWSA-N 1 0 367.833 2.479 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280051 686347588 /nfs/dbraw/zinc/34/75/88/686347588.db2.gz FSPXAZQFKVFPQO-CYZMBNFOSA-N 1 0 353.806 2.368 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000877363300 686364298 /nfs/dbraw/zinc/36/42/98/686364298.db2.gz OMWWJCSUMIVNJY-LDYMZIIASA-N 1 0 351.712 2.457 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390629 686371287 /nfs/dbraw/zinc/37/12/87/686371287.db2.gz GAIBCLVPIINARS-FSBGKCOPSA-N 1 0 353.806 2.416 20 5 FEBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877831747 686473009 /nfs/dbraw/zinc/47/30/09/686473009.db2.gz YCLVDNRJZRZJSN-DMRZNYOFSA-N 1 0 354.472 2.499 20 5 FEBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877831748 686473207 /nfs/dbraw/zinc/47/32/07/686473207.db2.gz YCLVDNRJZRZJSN-DTZQCDIJSA-N 1 0 354.472 2.499 20 5 FEBDRO CC[N@H+]1[C@H](C)CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000880608016 687066085 /nfs/dbraw/zinc/06/60/85/687066085.db2.gz AWUFEPBDMCKFOT-TXEJJXNPSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000881785295 687215240 /nfs/dbraw/zinc/21/52/40/687215240.db2.gz XSYFAMADBCPBTJ-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC([NH2+]CCO)CC1 ZINC000882138409 687311367 /nfs/dbraw/zinc/31/13/67/687311367.db2.gz HGSBFXSZVPXECS-UHFFFAOYSA-N 1 0 362.199 2.047 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)C1CC1 ZINC000883307094 687605423 /nfs/dbraw/zinc/60/54/23/687605423.db2.gz MBSRRZYDHAHFMZ-HOTGVXAUSA-N 1 0 352.456 2.473 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884959220 687975741 /nfs/dbraw/zinc/97/57/41/687975741.db2.gz JVAJMSZUQBZDLY-ZIAGYGMSSA-N 1 0 353.444 2.062 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884959219 687975867 /nfs/dbraw/zinc/97/58/67/687975867.db2.gz JVAJMSZUQBZDLY-UONOGXRCSA-N 1 0 353.444 2.062 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564336 688275660 /nfs/dbraw/zinc/27/56/60/688275660.db2.gz SZPDZENZRLPXGK-SDDRHHMPSA-N 1 0 351.428 2.225 20 5 FEBDRO CCC[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000886732479 688297478 /nfs/dbraw/zinc/29/74/78/688297478.db2.gz HJRHUQOYVPITTA-OAHLLOKOSA-N 1 0 355.460 2.450 20 5 FEBDRO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CCC[NH2+]CC1 ZINC000892081606 689148220 /nfs/dbraw/zinc/14/82/20/689148220.db2.gz BVNXSTVIXOJQOH-LBPRGKRZSA-N 1 0 371.235 2.299 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000892097792 689149452 /nfs/dbraw/zinc/14/94/52/689149452.db2.gz RJVIWCFLXAJSAU-BXKDBHETSA-N 1 0 371.235 2.297 20 5 FEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC[NH+]1CCC(O)CC1 ZINC000894105215 689467494 /nfs/dbraw/zinc/46/74/94/689467494.db2.gz FWLYWEAXLPAXSR-UHFFFAOYSA-N 1 0 350.806 2.087 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000895246671 689683957 /nfs/dbraw/zinc/68/39/57/689683957.db2.gz OZZMNIMGCSWMQH-HZMBPMFUSA-N 1 0 370.837 2.081 20 5 FEBDRO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895250055 689684766 /nfs/dbraw/zinc/68/47/66/689684766.db2.gz ZWBVSHQCFMSFQU-ZBEGNZNMSA-N 1 0 363.849 2.265 20 5 FEBDRO CC(C)(C)[NH2+]CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000895269585 689687225 /nfs/dbraw/zinc/68/72/25/689687225.db2.gz ABXQMCOZSAJCRW-UHFFFAOYSA-N 1 0 358.236 2.404 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896547474 689890659 /nfs/dbraw/zinc/89/06/59/689890659.db2.gz BYJSJBIJUZYVNN-WFASDCNBSA-N 1 0 366.487 2.071 20 5 FEBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)c1[N+](=O)[O-] ZINC000896840378 689937881 /nfs/dbraw/zinc/93/78/81/689937881.db2.gz RHJGSEKQLGKKNC-LLVKDONJSA-N 1 0 363.336 2.425 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898608136 690217775 /nfs/dbraw/zinc/21/77/75/690217775.db2.gz IALIRWDSBJDGOB-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO CC[NH+]1CCC(NC(=O)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000902321280 690757677 /nfs/dbraw/zinc/75/76/77/690757677.db2.gz IMBDAEOEICMNAM-UHFFFAOYSA-N 1 0 365.821 2.198 20 5 FEBDRO CC[NH+]1CCC(NC(=O)COc2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000902618122 690787614 /nfs/dbraw/zinc/78/76/14/690787614.db2.gz VDZRAIIYRHPEMK-UHFFFAOYSA-N 1 0 359.785 2.367 20 5 FEBDRO CO[C@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364102 690886211 /nfs/dbraw/zinc/88/62/11/690886211.db2.gz UIUAFAXPHQJWIR-WBVHZDCISA-N 1 0 368.455 2.111 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000903592877 690934772 /nfs/dbraw/zinc/93/47/72/690934772.db2.gz IFCHSMFIBJODNY-CQSZACIVSA-N 1 0 359.835 2.073 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000905517015 691130716 /nfs/dbraw/zinc/13/07/16/691130716.db2.gz OXMBZNOZDNACDS-KWCYVHTRSA-N 1 0 364.320 2.034 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000905517017 691130725 /nfs/dbraw/zinc/13/07/25/691130725.db2.gz OXMBZNOZDNACDS-XBFCOCLRSA-N 1 0 364.320 2.034 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1nc2c(s1)CCC2 ZINC000905570033 691143513 /nfs/dbraw/zinc/14/35/13/691143513.db2.gz VNHWDRWZVJHABU-LBPRGKRZSA-N 1 0 363.439 2.112 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852760 691183107 /nfs/dbraw/zinc/18/31/07/691183107.db2.gz NDMHQESPGRXWPN-RCBQFDQVSA-N 1 0 364.471 2.091 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000509853453 810383104 /nfs/dbraw/zinc/38/31/04/810383104.db2.gz WDOGZCBVGJKOOF-UHFFFAOYSA-N 1 0 360.418 2.184 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000078737080 210221633 /nfs/dbraw/zinc/22/16/33/210221633.db2.gz ASQWVHUMHAXOLP-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000010139155 539513305 /nfs/dbraw/zinc/51/33/05/539513305.db2.gz PQXYJWOWWXJVDS-KRWDZBQOSA-N 1 0 358.398 2.218 20 5 FEBDRO COc1ccccc1[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000015128540 539612644 /nfs/dbraw/zinc/61/26/44/539612644.db2.gz OBEMFTSJRCIMIY-INIZCTEOSA-N 1 0 358.398 2.417 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000027747879 539816162 /nfs/dbraw/zinc/81/61/62/539816162.db2.gz FRDJORVFMUNKPI-CYBMUJFWSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744911 540225133 /nfs/dbraw/zinc/22/51/33/540225133.db2.gz ZUFZWABVJZRHAF-QWHCGFSZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000047216641 540296775 /nfs/dbraw/zinc/29/67/75/540296775.db2.gz ZDOJAGOJFTYPOT-AWEZNQCLSA-N 1 0 367.471 2.304 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000047386810 540307082 /nfs/dbraw/zinc/30/70/82/540307082.db2.gz ZHBNNBIDXJYNNE-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO COc1ccc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000047331227 540304622 /nfs/dbraw/zinc/30/46/22/540304622.db2.gz OURPNYRESUEIOT-UHFFFAOYSA-N 1 0 359.430 2.358 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C[C@@H](C)O1 ZINC000047587821 540319359 /nfs/dbraw/zinc/31/93/59/540319359.db2.gz LQUOMNMYVKWYTG-ZIAGYGMSSA-N 1 0 372.425 2.462 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1OC ZINC000047905345 540333420 /nfs/dbraw/zinc/33/34/20/540333420.db2.gz FPEONIKVUAEITB-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053359579 540528811 /nfs/dbraw/zinc/52/88/11/540528811.db2.gz SAKYYZFQFBQYEX-HNNXBMFYSA-N 1 0 371.441 2.482 20 5 FEBDRO Cc1sc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC000053745483 540552516 /nfs/dbraw/zinc/55/25/16/540552516.db2.gz GYBYPEAEKZCWAP-UHFFFAOYSA-N 1 0 361.427 2.364 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000056197326 540710682 /nfs/dbraw/zinc/71/06/82/540710682.db2.gz LAMFKUTYFHMKIM-NWDGAFQWSA-N 1 0 356.382 2.372 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000058851296 540857403 /nfs/dbraw/zinc/85/74/03/540857403.db2.gz ALTWJFUFQZLORF-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CC(C)(C)CC[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000059744658 540865704 /nfs/dbraw/zinc/86/57/04/540865704.db2.gz ORTDJNWYVJADQQ-KRWDZBQOSA-N 1 0 365.474 2.388 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000063489965 541170551 /nfs/dbraw/zinc/17/05/51/541170551.db2.gz LZZFCBYZCDFJES-AWEZNQCLSA-N 1 0 357.414 2.241 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC[NH+](C2CCOCC2)CC1 ZINC000065039495 541224057 /nfs/dbraw/zinc/22/40/57/541224057.db2.gz FCOBVKLSFIHWON-UHFFFAOYSA-N 1 0 353.444 2.372 20 5 FEBDRO CN(c1nc2sccn2c1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000065231457 541229929 /nfs/dbraw/zinc/22/99/29/541229929.db2.gz XBFPQIVDQVXUDD-UHFFFAOYSA-N 1 0 365.459 2.384 20 5 FEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065769804 541260121 /nfs/dbraw/zinc/26/01/21/541260121.db2.gz AMLRTUPIKGZCGX-UHFFFAOYSA-N 1 0 359.430 2.340 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066124696 541283173 /nfs/dbraw/zinc/28/31/73/541283173.db2.gz KELRVJYQGSHFCM-CYBMUJFWSA-N 1 0 359.430 2.455 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066641736 541353679 /nfs/dbraw/zinc/35/36/79/541353679.db2.gz GJBCWXRJOFTQIV-ZDUSSCGKSA-N 1 0 363.414 2.216 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133169 541421739 /nfs/dbraw/zinc/42/17/39/541421739.db2.gz PGFIBXKYTPHNPJ-UHFFFAOYSA-N 1 0 372.429 2.171 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067439609 541464534 /nfs/dbraw/zinc/46/45/34/541464534.db2.gz SQVGWZRVZWRNSY-MGPQQGTHSA-N 1 0 362.430 2.016 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000067593911 541485822 /nfs/dbraw/zinc/48/58/22/541485822.db2.gz HSHAEKWXARQDPM-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO COc1ccc(CC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067901703 541527100 /nfs/dbraw/zinc/52/71/00/541527100.db2.gz OIZCVNGWKACIOA-QGZVFWFLSA-N 1 0 371.437 2.435 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000067949791 541532256 /nfs/dbraw/zinc/53/22/56/541532256.db2.gz ULQXGZNPKQOENV-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO CC(C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000068115961 541551660 /nfs/dbraw/zinc/55/16/60/541551660.db2.gz KERLWTLWQBKFIZ-MRXNPFEDSA-N 1 0 351.451 2.054 20 5 FEBDRO CCC[NH+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000068240331 541567586 /nfs/dbraw/zinc/56/75/86/541567586.db2.gz IZIYHTJZUZAVOI-UHFFFAOYSA-N 1 0 360.458 2.365 20 5 FEBDRO C[C@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000068308831 541574501 /nfs/dbraw/zinc/57/45/01/541574501.db2.gz HAERVBBJLIDBFF-CQSZACIVSA-N 1 0 363.414 2.023 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068861427 541634861 /nfs/dbraw/zinc/63/48/61/541634861.db2.gz KALDQPUGGRSXPR-KGLIPLIRSA-N 1 0 365.430 2.219 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068974798 541645788 /nfs/dbraw/zinc/64/57/88/541645788.db2.gz KXLWTKPXJYYCDL-ZDUSSCGKSA-N 1 0 363.414 2.232 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069470273 541687967 /nfs/dbraw/zinc/68/79/67/541687967.db2.gz QCLGZFUMHIOIRN-INIZCTEOSA-N 1 0 362.430 2.243 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000069471038 541687982 /nfs/dbraw/zinc/68/79/82/541687982.db2.gz IGSRGTIJVKDZAK-CQSZACIVSA-N 1 0 371.441 2.457 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072858596 541882910 /nfs/dbraw/zinc/88/29/10/541882910.db2.gz NISOCXGQGWLUOJ-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000073436523 541953708 /nfs/dbraw/zinc/95/37/08/541953708.db2.gz DQULNHZHFJXXPG-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000073991954 542022725 /nfs/dbraw/zinc/02/27/25/542022725.db2.gz BMKJXDNNOSXWQQ-OLZOCXBDSA-N 1 0 363.414 2.311 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000801541745 674134280 /nfs/dbraw/zinc/13/42/80/674134280.db2.gz VBUCPGMJSRNEDO-VHSXEESVSA-N 1 0 357.794 2.364 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000801546641 674134621 /nfs/dbraw/zinc/13/46/21/674134621.db2.gz NRVDOGAJZOHNKO-NWDGAFQWSA-N 1 0 372.263 2.244 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000076478316 542283619 /nfs/dbraw/zinc/28/36/19/542283619.db2.gz LYIQJZLGPAWCBA-HIFRSBDPSA-N 1 0 365.430 2.171 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481588 542284438 /nfs/dbraw/zinc/28/44/38/542284438.db2.gz JCDVZTMNAMLABX-ABAIWWIYSA-N 1 0 350.375 2.305 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078209295 542448546 /nfs/dbraw/zinc/44/85/46/542448546.db2.gz SAWRDXWVJIUURI-JGGQBBKZSA-N 1 0 363.389 2.055 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078544510 542466938 /nfs/dbraw/zinc/46/69/38/542466938.db2.gz IDFNBTMMUSZHRA-NSHDSACASA-N 1 0 355.826 2.006 20 5 FEBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)cc1 ZINC000079076494 542498391 /nfs/dbraw/zinc/49/83/91/542498391.db2.gz AXQSMUSDVFSEPB-CQSZACIVSA-N 1 0 358.402 2.225 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079795530 542542948 /nfs/dbraw/zinc/54/29/48/542542948.db2.gz RSIRYHNSKFQNSX-JTQLQIEISA-N 1 0 354.204 2.324 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000081335216 542649574 /nfs/dbraw/zinc/64/95/74/542649574.db2.gz DTFGIYXEAMZUFW-CYBMUJFWSA-N 1 0 363.414 2.170 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081532691 542663151 /nfs/dbraw/zinc/66/31/51/542663151.db2.gz GCIRGDBINDDDCJ-GOSISDBHSA-N 1 0 368.437 2.400 20 5 FEBDRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000089344506 542760805 /nfs/dbraw/zinc/76/08/05/542760805.db2.gz RAQZOHQVXNFVHW-UHFFFAOYSA-N 1 0 351.403 2.077 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000029550277 132377940 /nfs/dbraw/zinc/37/79/40/132377940.db2.gz MMXIAJGQHFBBSA-UHFFFAOYSA-N 1 0 355.398 2.141 20 5 FEBDRO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089682048 542769190 /nfs/dbraw/zinc/76/91/90/542769190.db2.gz UABNMCQRFCLOLC-QZTJIDSGSA-N 1 0 370.409 2.352 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000090467175 542785347 /nfs/dbraw/zinc/78/53/47/542785347.db2.gz SMKNLVCANQROQQ-BPUTZDHNSA-N 1 0 352.456 2.473 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089961938 542778108 /nfs/dbraw/zinc/77/81/08/542778108.db2.gz WPNLFAFDOPXAGE-MSOLQXFVSA-N 1 0 369.421 2.268 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000091482602 542810217 /nfs/dbraw/zinc/81/02/17/542810217.db2.gz CEQGXAGYHBJBMN-JTQLQIEISA-N 1 0 352.347 2.043 20 5 FEBDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092705146 542882914 /nfs/dbraw/zinc/88/29/14/542882914.db2.gz WHYSMQDCQMMTTJ-MRXNPFEDSA-N 1 0 371.441 2.486 20 5 FEBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000093298347 542924444 /nfs/dbraw/zinc/92/44/44/542924444.db2.gz GBMUQUKNMRSHSF-AWEZNQCLSA-N 1 0 363.414 2.105 20 5 FEBDRO CCc1nn(C)c(NCc2ccc(N3CC[NH+](CC)CC3)nc2)c1[N+](=O)[O-] ZINC000094137339 542954229 /nfs/dbraw/zinc/95/42/29/542954229.db2.gz VAFAVXBYRNVRRL-UHFFFAOYSA-N 1 0 373.461 2.040 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000104755454 543142355 /nfs/dbraw/zinc/14/23/55/543142355.db2.gz SEHYMWUFGUHNJX-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891113 543253244 /nfs/dbraw/zinc/25/32/44/543253244.db2.gz SDPMXBFWOFXTQW-NSHDSACASA-N 1 0 357.407 2.029 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107195373 543262785 /nfs/dbraw/zinc/26/27/85/543262785.db2.gz PJLVTWKNPKVOHP-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108341965 543287179 /nfs/dbraw/zinc/28/71/79/543287179.db2.gz PMGUUJQUDAUIOW-NEPJUHHUSA-N 1 0 355.822 2.474 20 5 FEBDRO O=C1[C@@H](N2CC[NH+](C3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109130781 543315250 /nfs/dbraw/zinc/31/52/50/543315250.db2.gz LXNPCVUHIPGCFM-SFHVURJKSA-N 1 0 358.442 2.260 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000109987472 543345955 /nfs/dbraw/zinc/34/59/55/543345955.db2.gz AKGSKOSEHCZRMD-UHFFFAOYSA-N 1 0 372.425 2.431 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000111610830 543408850 /nfs/dbraw/zinc/40/88/50/543408850.db2.gz OOWDSVJWJXEMAE-UHFFFAOYSA-N 1 0 358.398 2.041 20 5 FEBDRO C[NH+](C)CCN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000112916014 543467670 /nfs/dbraw/zinc/46/76/70/543467670.db2.gz VGGGHAWURLYNFU-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112922702 543468721 /nfs/dbraw/zinc/46/87/21/543468721.db2.gz KENVMGSPEMYING-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113301318 543483283 /nfs/dbraw/zinc/48/32/83/543483283.db2.gz GKQDLXALOKESSC-HNNXBMFYSA-N 1 0 355.460 2.279 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198542 543507912 /nfs/dbraw/zinc/50/79/12/543507912.db2.gz QZBFRVSPQCYMSF-VXGBXAGGSA-N 1 0 354.838 2.459 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247460356 549336315 /nfs/dbraw/zinc/33/63/15/549336315.db2.gz IIFVPHOLJYRWMN-WMZOPIPTSA-N 1 0 363.458 2.142 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000115441283 543567327 /nfs/dbraw/zinc/56/73/27/543567327.db2.gz IXIPFMYQPWTULQ-CQSZACIVSA-N 1 0 371.441 2.409 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115437171 543567683 /nfs/dbraw/zinc/56/76/83/543567683.db2.gz WEGAUXXWHFHZPH-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO CC1CCC([N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)CC1 ZINC000247468749 549338629 /nfs/dbraw/zinc/33/86/29/549338629.db2.gz JBGMIQSOGDAPFR-UQVLAFNGSA-N 1 0 366.462 2.212 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123598877 543771005 /nfs/dbraw/zinc/77/10/05/543771005.db2.gz JJBRKHGSLHGGME-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000124146837 543803196 /nfs/dbraw/zinc/80/31/96/543803196.db2.gz XRVMYGJFUQTZNQ-OAHLLOKOSA-N 1 0 362.430 2.092 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000124836630 543845673 /nfs/dbraw/zinc/84/56/73/543845673.db2.gz XQGUWSZBQZVXJT-FZMZJTMJSA-N 1 0 363.443 2.203 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125572812 543888994 /nfs/dbraw/zinc/88/89/94/543888994.db2.gz UNHHDUWUDRTBKR-RHSMWYFYSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1sc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000125703325 543896930 /nfs/dbraw/zinc/89/69/30/543896930.db2.gz BSEOMSRPCLHFLL-UHFFFAOYSA-N 1 0 361.489 2.363 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636677 543948242 /nfs/dbraw/zinc/94/82/42/543948242.db2.gz ZVSFFWKBCYWUMT-SWLSCSKDSA-N 1 0 361.446 2.359 20 5 FEBDRO CCc1nn(C)c(NCC2([NH+]3CCCCC3)CCN(C)CC2)c1[N+](=O)[O-] ZINC000126865003 543960447 /nfs/dbraw/zinc/96/04/47/543960447.db2.gz MHAKXLCHPGYOFP-UHFFFAOYSA-N 1 0 364.494 2.253 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000127785711 544013249 /nfs/dbraw/zinc/01/32/49/544013249.db2.gz DKWRJMVTXFMPDG-UHFFFAOYSA-N 1 0 350.419 2.132 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000127414906 543991442 /nfs/dbraw/zinc/99/14/42/543991442.db2.gz NAIDFPPVZCONKK-CYBMUJFWSA-N 1 0 362.386 2.369 20 5 FEBDRO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000128805178 544074078 /nfs/dbraw/zinc/07/40/78/544074078.db2.gz DSWJHIJYRHAXPX-UHFFFAOYSA-N 1 0 370.409 2.301 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000128553609 544058702 /nfs/dbraw/zinc/05/87/02/544058702.db2.gz UKIXOOXWDATOOZ-CZUORRHYSA-N 1 0 364.446 2.475 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313929 544185127 /nfs/dbraw/zinc/18/51/27/544185127.db2.gz QYCMHZNKDAJQPT-CDMKHQONSA-N 1 0 368.821 2.209 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000130896513 544169670 /nfs/dbraw/zinc/16/96/70/544169670.db2.gz DAOPBLHJERRXME-SUZMYJTESA-N 1 0 368.821 2.209 20 5 FEBDRO CC1CC[NH+]([C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000133758738 544282129 /nfs/dbraw/zinc/28/21/29/544282129.db2.gz KNRSYBJDPFDZQI-KRWDZBQOSA-N 1 0 371.441 2.381 20 5 FEBDRO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452648 544347479 /nfs/dbraw/zinc/34/74/79/544347479.db2.gz GOCCZKMUQRWVGK-JKSUJKDBSA-N 1 0 358.398 2.070 20 5 FEBDRO CC[C@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135741855 544360158 /nfs/dbraw/zinc/36/01/58/544360158.db2.gz GEXVFCMKZTVGJR-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136028058 544365252 /nfs/dbraw/zinc/36/52/52/544365252.db2.gz ROPWFSNBULMBDN-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139652460 544404099 /nfs/dbraw/zinc/40/40/99/544404099.db2.gz KFGMZFYOZSHMHG-ZDUSSCGKSA-N 1 0 355.822 2.215 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136548538 544374640 /nfs/dbraw/zinc/37/46/40/544374640.db2.gz KCEMGYQVJMMNBH-BETUJISGSA-N 1 0 353.394 2.353 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cnc2ccccc21 ZINC000145985247 544436839 /nfs/dbraw/zinc/43/68/39/544436839.db2.gz DBJHOJAPQZYFMB-HNNXBMFYSA-N 1 0 370.409 2.364 20 5 FEBDRO COc1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000150788007 544471777 /nfs/dbraw/zinc/47/17/77/544471777.db2.gz QXEIXPRIJKNCQZ-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000150927623 544488030 /nfs/dbraw/zinc/48/80/30/544488030.db2.gz UVNYQATVNFVIEU-GJZGRUSLSA-N 1 0 371.441 2.064 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCCN(c2ccccn2)C1 ZINC000152446210 544654176 /nfs/dbraw/zinc/65/41/76/544654176.db2.gz SFDKWTBWDDGYDM-ZDUSSCGKSA-N 1 0 374.372 2.293 20 5 FEBDRO COc1ccc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000152448181 544654621 /nfs/dbraw/zinc/65/46/21/544654621.db2.gz WRZTVLAZEGAYHX-CQSZACIVSA-N 1 0 356.382 2.397 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c(C)c1[N+](=O)[O-] ZINC000152513733 544663647 /nfs/dbraw/zinc/66/36/47/544663647.db2.gz HOXYZIOUMPELKG-CYBMUJFWSA-N 1 0 363.462 2.274 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000153007640 544722338 /nfs/dbraw/zinc/72/23/38/544722338.db2.gz VNXWVFLTRSDQJI-QWHCGFSZSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1C ZINC000152874316 544705510 /nfs/dbraw/zinc/70/55/10/544705510.db2.gz CWPYYBONVCZOQR-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152918249 544711946 /nfs/dbraw/zinc/71/19/46/544711946.db2.gz KDDJIMQZJFBVFS-KBPBESRZSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@H](Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000153189999 544744829 /nfs/dbraw/zinc/74/48/29/544744829.db2.gz DVSPZIDKMDPZST-LBPRGKRZSA-N 1 0 372.491 2.233 20 5 FEBDRO O=C(CC[NH+]1CCN(Cc2ccncc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153230163 544749311 /nfs/dbraw/zinc/74/93/11/544749311.db2.gz VTCCYGWVCSNBSS-UHFFFAOYSA-N 1 0 369.425 2.136 20 5 FEBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000153281398 544756303 /nfs/dbraw/zinc/75/63/03/544756303.db2.gz RKKTXGHPWAFHIB-ZWKOTPCHSA-N 1 0 359.426 2.123 20 5 FEBDRO C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000154580335 544924310 /nfs/dbraw/zinc/92/43/10/544924310.db2.gz AWDOGEYBOJVQLB-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO NC(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182077326 327759681 /nfs/dbraw/zinc/75/96/81/327759681.db2.gz BSMWPIHJNMXWQO-OAHLLOKOSA-N 1 0 362.430 2.337 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182682511 327784740 /nfs/dbraw/zinc/78/47/40/327784740.db2.gz OEBQRUFARHXYRY-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000184320662 327861905 /nfs/dbraw/zinc/86/19/05/327861905.db2.gz QKAHODKEMXEJGJ-CQSZACIVSA-N 1 0 355.460 2.135 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184987100 327893474 /nfs/dbraw/zinc/89/34/74/327893474.db2.gz JQLAIAJCBWZMLT-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000185850228 327935547 /nfs/dbraw/zinc/93/55/47/327935547.db2.gz HZMGORSENNYCGE-CQSZACIVSA-N 1 0 353.444 2.091 20 5 FEBDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000186576369 327969074 /nfs/dbraw/zinc/96/90/74/327969074.db2.gz AUUFXKPUHRVQAR-UHFFFAOYSA-N 1 0 355.398 2.168 20 5 FEBDRO Cc1cc(OCC(=O)NC2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000186731571 327978918 /nfs/dbraw/zinc/97/89/18/327978918.db2.gz LDNUYZRCPOOOAL-UHFFFAOYSA-N 1 0 353.394 2.410 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000187171056 328006449 /nfs/dbraw/zinc/00/64/49/328006449.db2.gz VHOWZTDTZHVFDN-XJKSGUPXSA-N 1 0 370.409 2.478 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000188831607 328113045 /nfs/dbraw/zinc/11/30/45/328113045.db2.gz WBFQXDLIBVICQV-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189126322 328129856 /nfs/dbraw/zinc/12/98/56/328129856.db2.gz KLUHCQMWDDBFNO-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189284883 328139041 /nfs/dbraw/zinc/13/90/41/328139041.db2.gz UJZIJNYQFHRJGH-ZDUSSCGKSA-N 1 0 350.419 2.098 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000189384623 328144736 /nfs/dbraw/zinc/14/47/36/328144736.db2.gz QNZRXYKLUWKHJH-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000190204627 328194147 /nfs/dbraw/zinc/19/41/47/328194147.db2.gz XBIFHGIYYFPQBV-RYUDHWBXSA-N 1 0 350.341 2.063 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190346851 328201660 /nfs/dbraw/zinc/20/16/60/328201660.db2.gz VDTXMRBXDQETLM-HUUCEWRRSA-N 1 0 374.441 2.235 20 5 FEBDRO CCc1nc(C2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000190657154 328222661 /nfs/dbraw/zinc/22/26/61/328222661.db2.gz SRYYJCYVTUJHJQ-UHFFFAOYSA-N 1 0 372.429 2.118 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000191987809 328291994 /nfs/dbraw/zinc/29/19/94/328291994.db2.gz BMXVUFRVVQSOHG-ZIAGYGMSSA-N 1 0 355.460 2.315 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000192380039 328316557 /nfs/dbraw/zinc/31/65/57/328316557.db2.gz MOTQHXSRMRLTRX-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193870504 328399827 /nfs/dbraw/zinc/39/98/27/328399827.db2.gz RHJODCNMGAMJMK-AWEZNQCLSA-N 1 0 364.402 2.047 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564122 328429998 /nfs/dbraw/zinc/42/99/98/328429998.db2.gz KUQPVJOWTFXEFV-YGRLFVJLSA-N 1 0 369.219 2.266 20 5 FEBDRO COC(=O)/C=C/c1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000076268577 324930268 /nfs/dbraw/zinc/93/02/68/324930268.db2.gz UWJYJSVNBCMHBO-GQCTYLIASA-N 1 0 363.414 2.040 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000237214316 328508760 /nfs/dbraw/zinc/50/87/60/328508760.db2.gz LQPGJNFMPYDMBW-UHFFFAOYSA-N 1 0 353.444 2.034 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000237332787 328512512 /nfs/dbraw/zinc/51/25/12/328512512.db2.gz VSFJYKHKZVPNQF-UHFFFAOYSA-N 1 0 353.444 2.287 20 5 FEBDRO CC(C)[NH+](CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)C ZINC000080474680 325132454 /nfs/dbraw/zinc/13/24/54/325132454.db2.gz VPAZIJJNCBLMKP-UHFFFAOYSA-N 1 0 374.445 2.414 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000082991979 325208877 /nfs/dbraw/zinc/20/88/77/325208877.db2.gz JZZQDJKTIBSRQK-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237667803 328524306 /nfs/dbraw/zinc/52/43/06/328524306.db2.gz IQPVWPOEAOESLP-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000237816794 328529750 /nfs/dbraw/zinc/52/97/50/328529750.db2.gz KGMFUZBLELPDSU-CYBMUJFWSA-N 1 0 361.851 2.434 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090232126 325356982 /nfs/dbraw/zinc/35/69/82/325356982.db2.gz SMOIDCYCOUSATD-GFCCVEGCSA-N 1 0 353.444 2.202 20 5 FEBDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410445 325358300 /nfs/dbraw/zinc/35/83/00/325358300.db2.gz YHEJJCBUFWBSKI-TZMCWYRMSA-N 1 0 350.419 2.448 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000090551952 325362510 /nfs/dbraw/zinc/36/25/10/325362510.db2.gz MZCNJYPBOIQTSW-ZFWWWQNUSA-N 1 0 363.439 2.406 20 5 FEBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000090551425 325362637 /nfs/dbraw/zinc/36/26/37/325362637.db2.gz OOMWUAUBGVRDDT-GOSISDBHSA-N 1 0 370.453 2.353 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000090550879 325362808 /nfs/dbraw/zinc/36/28/08/325362808.db2.gz OBXAVXZKZURNRW-QGZVFWFLSA-N 1 0 357.410 2.295 20 5 FEBDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000091075550 325372551 /nfs/dbraw/zinc/37/25/51/325372551.db2.gz UIMUUNZUBMXLTG-UHFFFAOYSA-N 1 0 358.442 2.257 20 5 FEBDRO COc1ccccc1COC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000092424505 325415075 /nfs/dbraw/zinc/41/50/75/325415075.db2.gz DZPHGTVOWWHAAS-UHFFFAOYSA-N 1 0 360.414 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000093818092 325448484 /nfs/dbraw/zinc/44/84/84/325448484.db2.gz UKRRLNIJZGYPKS-ZDUSSCGKSA-N 1 0 371.384 2.350 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000107712045 325633887 /nfs/dbraw/zinc/63/38/87/325633887.db2.gz BFWJDYCZISZBLV-UHFFFAOYSA-N 1 0 353.444 2.159 20 5 FEBDRO CCC[NH+]1CCC(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000111240733 325707612 /nfs/dbraw/zinc/70/76/12/325707612.db2.gz DWSIMJRKHZADJX-UHFFFAOYSA-N 1 0 360.458 2.290 20 5 FEBDRO Cn1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000114400469 325889407 /nfs/dbraw/zinc/88/94/07/325889407.db2.gz AOEOFPCFMLTZRB-CYBMUJFWSA-N 1 0 357.414 2.019 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000118787538 326102455 /nfs/dbraw/zinc/10/24/55/326102455.db2.gz CEMZEDFYVFYWPT-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000118828336 326105506 /nfs/dbraw/zinc/10/55/06/326105506.db2.gz WFMQCOSXBXGWDN-AWEZNQCLSA-N 1 0 362.430 2.102 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000119395523 326157575 /nfs/dbraw/zinc/15/75/75/326157575.db2.gz VDPGJKHHYPQMGY-UHFFFAOYSA-N 1 0 361.439 2.476 20 5 FEBDRO Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000120722920 326282134 /nfs/dbraw/zinc/28/21/34/326282134.db2.gz NIXOVVQZPBOKJS-GFCCVEGCSA-N 1 0 373.369 2.331 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121099680 326313139 /nfs/dbraw/zinc/31/31/39/326313139.db2.gz XBXGCHMMHUKEJJ-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000121723247 326361773 /nfs/dbraw/zinc/36/17/73/326361773.db2.gz NEESGUHXPWPMKD-JTQLQIEISA-N 1 0 356.220 2.347 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000121970237 326378939 /nfs/dbraw/zinc/37/89/39/326378939.db2.gz GRBQEERAUDKRSA-GOEBONIOSA-N 1 0 374.441 2.093 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000122426073 326396556 /nfs/dbraw/zinc/39/65/56/326396556.db2.gz ZEMJDCRQXPOKIC-AAEUAGOBSA-N 1 0 373.862 2.353 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000122881325 326412559 /nfs/dbraw/zinc/41/25/59/326412559.db2.gz ZEXCKJLJVBCDOM-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO CC(=O)c1ccc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000129496059 326541491 /nfs/dbraw/zinc/54/14/91/326541491.db2.gz DVZCTWIOVHCCII-INIZCTEOSA-N 1 0 364.446 2.302 20 5 FEBDRO COCC[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130280145 326554106 /nfs/dbraw/zinc/55/41/06/326554106.db2.gz HKQIEERBJDTRFF-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO CCc1cc(NC[C@@](C)(O)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133005621 326601438 /nfs/dbraw/zinc/60/14/38/326601438.db2.gz GYZGQLZITJFRMO-GOSISDBHSA-N 1 0 359.430 2.339 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([NH+]2CCCC2)CC1 ZINC000152461689 326707901 /nfs/dbraw/zinc/70/79/01/326707901.db2.gz QXQHZEFPWHBZTL-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO CC[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000152497753 326708999 /nfs/dbraw/zinc/70/89/99/326708999.db2.gz KNLYKOGZUWCAJP-INIZCTEOSA-N 1 0 364.446 2.144 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170743544 327096407 /nfs/dbraw/zinc/09/64/07/327096407.db2.gz XISIFGYPGNAXRO-HNNXBMFYSA-N 1 0 362.430 2.102 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171124493 327119655 /nfs/dbraw/zinc/11/96/55/327119655.db2.gz GBVLTQLDUCAARV-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171400818 327136900 /nfs/dbraw/zinc/13/69/00/327136900.db2.gz VKMVKSSNZDESGS-UHFFFAOYSA-N 1 0 371.441 2.447 20 5 FEBDRO CCc1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171804185 327162503 /nfs/dbraw/zinc/16/25/03/327162503.db2.gz MBIUVJOZXSJTJI-VXGBXAGGSA-N 1 0 351.451 2.367 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173284867 327246770 /nfs/dbraw/zinc/24/67/70/327246770.db2.gz YNCXELQACSXUQI-ZBFHGGJFSA-N 1 0 374.441 2.315 20 5 FEBDRO CN(CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000173398256 327253565 /nfs/dbraw/zinc/25/35/65/327253565.db2.gz TXSDWNWKGXXCED-UHFFFAOYSA-N 1 0 360.458 2.365 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173686820 327277033 /nfs/dbraw/zinc/27/70/33/327277033.db2.gz QPPBKSYLONIYLE-MRXNPFEDSA-N 1 0 369.425 2.378 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173829655 327287074 /nfs/dbraw/zinc/28/70/74/327287074.db2.gz PAKPJOBDPZFBIK-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173921968 327294672 /nfs/dbraw/zinc/29/46/72/327294672.db2.gz YIUDHLZOXKRWDA-AWEZNQCLSA-N 1 0 355.460 2.256 20 5 FEBDRO C[NH+]1CCN(CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000174042270 327303523 /nfs/dbraw/zinc/30/35/23/327303523.db2.gz ZEZBFASKEUEKHQ-UHFFFAOYSA-N 1 0 374.397 2.066 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000174125750 327307524 /nfs/dbraw/zinc/30/75/24/327307524.db2.gz DCUXTEXEDYAFID-UHFFFAOYSA-N 1 0 351.451 2.036 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000174135297 327308037 /nfs/dbraw/zinc/30/80/37/327308037.db2.gz SKOMCFRFRSBPEG-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000174139710 327308268 /nfs/dbraw/zinc/30/82/68/327308268.db2.gz GMHXRAWDMFGGHP-MRXNPFEDSA-N 1 0 351.447 2.271 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000174139694 327308311 /nfs/dbraw/zinc/30/83/11/327308311.db2.gz GMHXRAWDMFGGHP-INIZCTEOSA-N 1 0 351.447 2.271 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000174737826 327347366 /nfs/dbraw/zinc/34/73/66/327347366.db2.gz AUAKCWKJASEEDQ-SFHVURJKSA-N 1 0 362.405 2.246 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175280300 327384329 /nfs/dbraw/zinc/38/43/29/327384329.db2.gz MHILOJZICRCNIG-CQSZACIVSA-N 1 0 364.446 2.460 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175440906 327393250 /nfs/dbraw/zinc/39/32/50/327393250.db2.gz GZUQHTZLVWTNSX-QWHCGFSZSA-N 1 0 350.375 2.414 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000178001184 327558026 /nfs/dbraw/zinc/55/80/26/327558026.db2.gz KXGPFLDDXIKSFC-NSHDSACASA-N 1 0 355.441 2.285 20 5 FEBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178071108 327563152 /nfs/dbraw/zinc/56/31/52/327563152.db2.gz GOWMIGMJFZPEEV-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000248638502 328731160 /nfs/dbraw/zinc/73/11/60/328731160.db2.gz YQTQXOBMYWOCNN-JOQOYGCGSA-N 1 0 358.394 2.489 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1 ZINC000249209387 328761059 /nfs/dbraw/zinc/76/10/59/328761059.db2.gz ADOFRTRPRMTGHA-BPQIPLTHSA-N 1 0 360.414 2.305 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261607945 328805094 /nfs/dbraw/zinc/80/50/94/328805094.db2.gz DXYMUJFSQHGBST-IOIRYZSLSA-N 1 0 370.409 2.484 20 5 FEBDRO Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000262665585 328879575 /nfs/dbraw/zinc/87/95/75/328879575.db2.gz PILGQMLPNZIBRV-WMLDXEAASA-N 1 0 355.398 2.011 20 5 FEBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746888 328886240 /nfs/dbraw/zinc/88/62/40/328886240.db2.gz AMQNRHXOHAPYQK-BDAKNGLRSA-N 1 0 367.349 2.032 20 5 FEBDRO O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000264554022 329035047 /nfs/dbraw/zinc/03/50/47/329035047.db2.gz DFQHKARMZJWEND-KRWDZBQOSA-N 1 0 358.442 2.044 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264668560 329046524 /nfs/dbraw/zinc/04/65/24/329046524.db2.gz ZYJHYTPFOJCJDS-CYBMUJFWSA-N 1 0 351.378 2.200 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000264721796 329053255 /nfs/dbraw/zinc/05/32/55/329053255.db2.gz HNFUFHGZCZPSNI-UHFFFAOYSA-N 1 0 365.405 2.499 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000266386590 329217851 /nfs/dbraw/zinc/21/78/51/329217851.db2.gz NQJLESZTSAXCEQ-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266818015 329262513 /nfs/dbraw/zinc/26/25/13/329262513.db2.gz XIABUWWWCQTWIJ-JSGCOSHPSA-N 1 0 350.419 2.228 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267037914 329285631 /nfs/dbraw/zinc/28/56/31/329285631.db2.gz VDQSAOSKNYNLHN-CYBMUJFWSA-N 1 0 351.403 2.168 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000268100603 329385152 /nfs/dbraw/zinc/38/51/52/329385152.db2.gz DJOPTLBWWNRYPS-AWEZNQCLSA-N 1 0 350.806 2.404 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000268443317 329420361 /nfs/dbraw/zinc/42/03/61/329420361.db2.gz GQARQEZYTRQFKS-UHFFFAOYSA-N 1 0 363.414 2.195 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000268976219 329474306 /nfs/dbraw/zinc/47/43/06/329474306.db2.gz NQIXYVMGNBYJBE-GFCCVEGCSA-N 1 0 368.393 2.403 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000269180352 329493981 /nfs/dbraw/zinc/49/39/81/329493981.db2.gz HXXCXWWQGWLPSJ-NWDGAFQWSA-N 1 0 350.375 2.238 20 5 FEBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000269397384 329515411 /nfs/dbraw/zinc/51/54/11/329515411.db2.gz BVPSMPBFGRXXIK-MRXNPFEDSA-N 1 0 355.398 2.382 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])nc2)C1 ZINC000269417045 329517819 /nfs/dbraw/zinc/51/78/19/329517819.db2.gz JGMYJJWTAKULID-INIZCTEOSA-N 1 0 369.425 2.311 20 5 FEBDRO COc1ccc(NC(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000273630370 329880233 /nfs/dbraw/zinc/88/02/33/329880233.db2.gz QEXUPSCNYRHBHY-JSGCOSHPSA-N 1 0 354.432 2.113 20 5 FEBDRO COc1ccc(CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275564187 330064092 /nfs/dbraw/zinc/06/40/92/330064092.db2.gz FJCPEQIHIBSLPZ-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000275909432 330102306 /nfs/dbraw/zinc/10/23/06/330102306.db2.gz VJMYVRZZQYDADS-UHFFFAOYSA-N 1 0 374.344 2.040 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000276189205 330127513 /nfs/dbraw/zinc/12/75/13/330127513.db2.gz ZDYWSAUCLMOSNM-UHFFFAOYSA-N 1 0 352.435 2.477 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000276480035 330156435 /nfs/dbraw/zinc/15/64/35/330156435.db2.gz QPZSRFXLVJYEOC-UHFFFAOYSA-N 1 0 374.445 2.370 20 5 FEBDRO COC(=O)c1cnc(NCc2ccc(OCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000276537688 330162512 /nfs/dbraw/zinc/16/25/12/330162512.db2.gz IOGAYZQSUQPXOY-UHFFFAOYSA-N 1 0 374.397 2.329 20 5 FEBDRO CC(=O)c1ccc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199953 330229219 /nfs/dbraw/zinc/22/92/19/330229219.db2.gz FOEQURCXUXNGAB-PBHICJAKSA-N 1 0 360.458 2.260 20 5 FEBDRO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786740 330251446 /nfs/dbraw/zinc/25/14/46/330251446.db2.gz FKYDSGAAOKOQLG-DOTOQJQBSA-N 1 0 363.414 2.464 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155320452 545511057 /nfs/dbraw/zinc/51/10/57/545511057.db2.gz CRQJVCPWESKOQQ-MAUKXSAKSA-N 1 0 362.474 2.497 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000155524477 545536584 /nfs/dbraw/zinc/53/65/84/545536584.db2.gz RJFRRNZWGPRKEL-AWEZNQCLSA-N 1 0 362.430 2.018 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000156000366 545590861 /nfs/dbraw/zinc/59/08/61/545590861.db2.gz RLNDTVULDCYLCF-GUYCJALGSA-N 1 0 372.425 2.009 20 5 FEBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000158179427 545832251 /nfs/dbraw/zinc/83/22/51/545832251.db2.gz RKJJYEFRSWQQMK-AWEZNQCLSA-N 1 0 358.236 2.389 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478495631 561168393 /nfs/dbraw/zinc/16/83/93/561168393.db2.gz XSQAFPFFWBFLMR-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160115731 546008889 /nfs/dbraw/zinc/00/88/89/546008889.db2.gz ZENGQESCMMBHHV-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000160161628 546013965 /nfs/dbraw/zinc/01/39/65/546013965.db2.gz DQWAYXGNLCKUGE-GFCCVEGCSA-N 1 0 361.851 2.434 20 5 FEBDRO [NH3+]C[C@@H](C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000479075374 561181070 /nfs/dbraw/zinc/18/10/70/561181070.db2.gz DCCFXNYCONUDKM-MRXNPFEDSA-N 1 0 372.400 2.125 20 5 FEBDRO O=C(c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479915884 561199424 /nfs/dbraw/zinc/19/94/24/561199424.db2.gz RIDYESRLUFXFNT-CALCHBBNSA-N 1 0 366.421 2.498 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000480563176 561211950 /nfs/dbraw/zinc/21/19/50/561211950.db2.gz KQBSYRYERIKSKQ-CQSZACIVSA-N 1 0 364.446 2.209 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036943 546529061 /nfs/dbraw/zinc/52/90/61/546529061.db2.gz JGVCBHQSYMMFDK-OCCSQVGLSA-N 1 0 355.398 2.136 20 5 FEBDRO CC(C)(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000480753954 561216057 /nfs/dbraw/zinc/21/60/57/561216057.db2.gz JYQTVZVTNQLZSE-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000177500779 546631607 /nfs/dbraw/zinc/63/16/07/546631607.db2.gz QXFXIFBWGFZZAQ-KGLIPLIRSA-N 1 0 357.414 2.383 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481031213 561223460 /nfs/dbraw/zinc/22/34/60/561223460.db2.gz AMZIEOZSDIGHMR-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178120477 546743072 /nfs/dbraw/zinc/74/30/72/546743072.db2.gz MLBFFNSSNMWXKU-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1csc([N+](=O)[O-])c1 ZINC000178132682 546743771 /nfs/dbraw/zinc/74/37/71/546743771.db2.gz JIQZTURSFHBOHJ-UONOGXRCSA-N 1 0 353.444 2.154 20 5 FEBDRO C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648938 546826582 /nfs/dbraw/zinc/82/65/82/546826582.db2.gz LNXPWDFXUVZLDP-YOEHRIQHSA-N 1 0 351.472 2.453 20 5 FEBDRO CCC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000179659225 546993676 /nfs/dbraw/zinc/99/36/76/546993676.db2.gz DMWZPQHITXGPMX-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180450955 547109825 /nfs/dbraw/zinc/10/98/25/547109825.db2.gz LJCPYCQOWFSBOM-CZUORRHYSA-N 1 0 363.414 2.190 20 5 FEBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000180555206 547129089 /nfs/dbraw/zinc/12/90/89/547129089.db2.gz ZYVQOGHHJUFDCY-AWEZNQCLSA-N 1 0 361.446 2.156 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000180960390 547219631 /nfs/dbraw/zinc/21/96/31/547219631.db2.gz ANXPYCLKDGMPHP-DOMZBBRYSA-N 1 0 373.413 2.183 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181407421 547309098 /nfs/dbraw/zinc/30/90/98/547309098.db2.gz CSRASALXWWFYRE-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO COC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000181673595 547357762 /nfs/dbraw/zinc/35/77/62/547357762.db2.gz REFIWYCKWREYQW-QGZVFWFLSA-N 1 0 355.394 2.461 20 5 FEBDRO O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181676309 547357905 /nfs/dbraw/zinc/35/79/05/547357905.db2.gz PQHRSNQJNXSOPD-CQSZACIVSA-N 1 0 350.394 2.233 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182535985 547509345 /nfs/dbraw/zinc/50/93/45/547509345.db2.gz DGTCULDPFDWCDD-CQSZACIVSA-N 1 0 359.430 2.127 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183439256 547658608 /nfs/dbraw/zinc/65/86/08/547658608.db2.gz MSNUEVJHLZPNCA-GOSISDBHSA-N 1 0 369.421 2.400 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000183549307 547679109 /nfs/dbraw/zinc/67/91/09/547679109.db2.gz XHMJWWHWKCPITH-UHFFFAOYSA-N 1 0 359.386 2.252 20 5 FEBDRO O=C(C[NH2+][C@H](CCO)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183711882 547705388 /nfs/dbraw/zinc/70/53/88/547705388.db2.gz XGFIUXHVNIKJJQ-QGZVFWFLSA-N 1 0 361.442 2.405 20 5 FEBDRO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184174473 547781044 /nfs/dbraw/zinc/78/10/44/547781044.db2.gz FIPQEGNOAZADOS-OAHLLOKOSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000184350463 547811478 /nfs/dbraw/zinc/81/14/78/547811478.db2.gz YUHMHJSEDGIXDT-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184656624 547861876 /nfs/dbraw/zinc/86/18/76/547861876.db2.gz QZQCYQNHMDTJOP-QLFBSQMISA-N 1 0 369.487 2.381 20 5 FEBDRO CCOc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000485120834 561313098 /nfs/dbraw/zinc/31/30/98/561313098.db2.gz QQGVJUAYKRVVGK-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO COc1cc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000185097664 547932875 /nfs/dbraw/zinc/93/28/75/547932875.db2.gz LSBMUOCXWFXDSN-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@@H]12 ZINC000185105582 547935280 /nfs/dbraw/zinc/93/52/80/547935280.db2.gz KWTKUUJCTXTFDB-XYPHTWIQSA-N 1 0 358.442 2.394 20 5 FEBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000185433513 547984995 /nfs/dbraw/zinc/98/49/95/547984995.db2.gz BQQXABHYIPADJE-CYBMUJFWSA-N 1 0 372.425 2.431 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186338188 548121945 /nfs/dbraw/zinc/12/19/45/548121945.db2.gz WVAMTMURVMGVCE-YKBBIGDRSA-N 1 0 374.485 2.388 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000193947989 548412224 /nfs/dbraw/zinc/41/22/24/548412224.db2.gz DEJVIGLJZAMGQL-UHFFFAOYSA-N 1 0 350.419 2.135 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000194517372 548493374 /nfs/dbraw/zinc/49/33/74/548493374.db2.gz JOFLBOUGFXYGCJ-GFCCVEGCSA-N 1 0 361.333 2.406 20 5 FEBDRO CSc1cccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000486690079 561354463 /nfs/dbraw/zinc/35/44/63/561354463.db2.gz RUNJYBXJNDVULC-OAHLLOKOSA-N 1 0 355.485 2.484 20 5 FEBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000487088227 561363407 /nfs/dbraw/zinc/36/34/07/561363407.db2.gz QNEQEBYNFFRYBY-JSGCOSHPSA-N 1 0 353.854 2.105 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000237926407 548864932 /nfs/dbraw/zinc/86/49/32/548864932.db2.gz NSONPPYQSMTLHS-KRWDZBQOSA-N 1 0 357.414 2.418 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245553333 548945473 /nfs/dbraw/zinc/94/54/73/548945473.db2.gz RGUWDMQMAFEZFM-OGHNNQOOSA-N 1 0 365.430 2.413 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246407610 549126770 /nfs/dbraw/zinc/12/67/70/549126770.db2.gz QOAUUHXPNNTJMN-GUYCJALGSA-N 1 0 365.455 2.232 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000488639863 561393730 /nfs/dbraw/zinc/39/37/30/561393730.db2.gz HNZWCCMWZYUZIW-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488724858 561395375 /nfs/dbraw/zinc/39/53/75/561395375.db2.gz ZQCOVAQKPRRWNH-VNHYZAJKSA-N 1 0 362.430 2.333 20 5 FEBDRO CC(C)CN1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000488741859 561395701 /nfs/dbraw/zinc/39/57/01/561395701.db2.gz CPFIDKWROFNMRB-INIZCTEOSA-N 1 0 362.430 2.051 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890551 549236575 /nfs/dbraw/zinc/23/65/75/549236575.db2.gz MANYGCVNZMMOLW-ZTFGCOKTSA-N 1 0 358.442 2.116 20 5 FEBDRO CCOC(=O)[C@@H](CC(C)C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248414367 549433092 /nfs/dbraw/zinc/43/30/92/549433092.db2.gz GVYGBZMQNNNQQL-UKRRQHHQSA-N 1 0 350.419 2.454 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000248454780 549442021 /nfs/dbraw/zinc/44/20/21/549442021.db2.gz KMELUXVLZOCLBA-SJLPKXTDSA-N 1 0 372.421 2.316 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000248958609 549532161 /nfs/dbraw/zinc/53/21/61/549532161.db2.gz BVXCYSAEDJQOAO-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000249227591 549570255 /nfs/dbraw/zinc/57/02/55/549570255.db2.gz VDTXMRBXDQETLM-CABCVRRESA-N 1 0 374.441 2.235 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261948670 549773037 /nfs/dbraw/zinc/77/30/37/549773037.db2.gz YRVANMXIWMXNQP-RVKKMQEKSA-N 1 0 360.458 2.236 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000263667972 549916260 /nfs/dbraw/zinc/91/62/60/549916260.db2.gz LJXDKOSYCFROFY-AWEZNQCLSA-N 1 0 363.414 2.317 20 5 FEBDRO Cn1ccnc1[C@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000263793361 549937937 /nfs/dbraw/zinc/93/79/37/549937937.db2.gz IEYDDJNNWBIADQ-CSPWOOARSA-N 1 0 370.331 2.381 20 5 FEBDRO CS[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000490860393 561439296 /nfs/dbraw/zinc/43/92/96/561439296.db2.gz ROROUIMRCZDAST-GJZGRUSLSA-N 1 0 351.472 2.376 20 5 FEBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268455468 550068994 /nfs/dbraw/zinc/06/89/94/550068994.db2.gz XHOITJZUMCDIDK-MCFWBGNESA-N 1 0 350.444 2.242 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268504768 550078444 /nfs/dbraw/zinc/07/84/44/550078444.db2.gz WDAFRXXSHACNQO-UHFFFAOYSA-N 1 0 363.458 2.224 20 5 FEBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269281434 550175384 /nfs/dbraw/zinc/17/53/84/550175384.db2.gz QPXLNCSJYMAVIX-GMSGAONNSA-N 1 0 360.183 2.354 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000269473280 550199550 /nfs/dbraw/zinc/19/95/50/550199550.db2.gz UYZAFWIYINSJMX-UHFFFAOYSA-N 1 0 360.418 2.497 20 5 FEBDRO COc1cc(C[NH2+]CCc2cnccn2)c([N+](=O)[O-])cc1OCC(F)F ZINC000493626149 561457104 /nfs/dbraw/zinc/45/71/04/561457104.db2.gz RATQLMKTGFLOIA-UHFFFAOYSA-N 1 0 368.340 2.370 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272287615 550434638 /nfs/dbraw/zinc/43/46/38/550434638.db2.gz UYMDHVZCULTBQV-GWCFXTLKSA-N 1 0 361.427 2.156 20 5 FEBDRO C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CC[N@H+](C)CC1 ZINC000272969750 550479137 /nfs/dbraw/zinc/47/91/37/550479137.db2.gz OHPHFWUTIWMPEK-HNNXBMFYSA-N 1 0 373.457 2.077 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273119505 550485662 /nfs/dbraw/zinc/48/56/62/550485662.db2.gz HEMUOTBXGNMIOF-QWQRMKEZSA-N 1 0 366.414 2.046 20 5 FEBDRO CC[C@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494495759 561470746 /nfs/dbraw/zinc/47/07/46/561470746.db2.gz OHMVKVCCJPQWQY-YOEHRIQHSA-N 1 0 364.446 2.012 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637507 561473031 /nfs/dbraw/zinc/47/30/31/561473031.db2.gz OVLIGOXUULXBQG-DZGCQCFKSA-N 1 0 352.412 2.028 20 5 FEBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000274598282 550545695 /nfs/dbraw/zinc/54/56/95/550545695.db2.gz HBIIRGHYFUXUIE-TZMCWYRMSA-N 1 0 364.402 2.132 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000277044298 550625478 /nfs/dbraw/zinc/62/54/78/550625478.db2.gz HOSZDURRGSGGLT-HOCLYGCPSA-N 1 0 365.455 2.255 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277291916 550652699 /nfs/dbraw/zinc/65/26/99/550652699.db2.gz OHAYDCUHZHXSIX-ZDUSSCGKSA-N 1 0 350.375 2.368 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2CO)cn1 ZINC000277727278 550707099 /nfs/dbraw/zinc/70/70/99/550707099.db2.gz JQLNESHYGQSJLW-ZFWWWQNUSA-N 1 0 350.806 2.190 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000278555887 550798771 /nfs/dbraw/zinc/79/87/71/550798771.db2.gz MBRDKTSFWLCVFE-QWHCGFSZSA-N 1 0 350.419 2.130 20 5 FEBDRO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000279174856 550861772 /nfs/dbraw/zinc/86/17/72/550861772.db2.gz APXIMWYDKJPCSO-YJBOKZPZSA-N 1 0 361.421 2.373 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1cccs1 ZINC000279221739 550866504 /nfs/dbraw/zinc/86/65/04/550866504.db2.gz NSAWCXKUXDSEQH-ZDUSSCGKSA-N 1 0 352.391 2.410 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000279342863 550879832 /nfs/dbraw/zinc/87/98/32/550879832.db2.gz PXHUDKWANMJAFF-PXAZEXFGSA-N 1 0 363.414 2.431 20 5 FEBDRO COc1cc(CN2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279798551 550929902 /nfs/dbraw/zinc/92/99/02/550929902.db2.gz OWUMSQXJTKTSDQ-CQSZACIVSA-N 1 0 360.357 2.450 20 5 FEBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280892263 551043192 /nfs/dbraw/zinc/04/31/92/551043192.db2.gz QGQLLBKAFDANJT-AUUYWEPGSA-N 1 0 359.426 2.354 20 5 FEBDRO C[NH+](C)CC1(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000281185146 551071913 /nfs/dbraw/zinc/07/19/13/551071913.db2.gz ZBYXPUWIHBAZPK-UHFFFAOYSA-N 1 0 360.458 2.412 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000282667719 551257435 /nfs/dbraw/zinc/25/74/35/551257435.db2.gz IYPWFCWBVNYNQE-PIGZYNQJSA-N 1 0 360.370 2.276 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282890379 551282335 /nfs/dbraw/zinc/28/23/35/551282335.db2.gz WDEVIOAXSBKTJJ-FZMZJTMJSA-N 1 0 371.397 2.497 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000283610200 551396262 /nfs/dbraw/zinc/39/62/62/551396262.db2.gz ZKIHCSDGLHKOLM-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000284115493 551486375 /nfs/dbraw/zinc/48/63/75/551486375.db2.gz OZIRASQLVMOERT-ZDUSSCGKSA-N 1 0 354.401 2.085 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000284353768 551531204 /nfs/dbraw/zinc/53/12/04/551531204.db2.gz SHNUVGJQEIEIJX-GFCCVEGCSA-N 1 0 372.429 2.179 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC[NH+](C)C)OCC)c1 ZINC000284355787 551531365 /nfs/dbraw/zinc/53/13/65/551531365.db2.gz KJJJCOQIIRGGEV-CQSZACIVSA-N 1 0 353.419 2.080 20 5 FEBDRO COC(=O)c1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000498449536 561524652 /nfs/dbraw/zinc/52/46/52/561524652.db2.gz ASDUZIMXKUWGAV-UHFFFAOYSA-N 1 0 363.414 2.328 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284795964 551635851 /nfs/dbraw/zinc/63/58/51/551635851.db2.gz KBRUYYIADZSQEY-WBHUJUFNSA-N 1 0 357.414 2.341 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000285157621 551712552 /nfs/dbraw/zinc/71/25/52/551712552.db2.gz AHQHKPLHYLLZAM-VXGBXAGGSA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285192556 551718578 /nfs/dbraw/zinc/71/85/78/551718578.db2.gz NTAWYLZKNGPAQF-NSHDSACASA-N 1 0 364.427 2.399 20 5 FEBDRO CS(=O)(=O)NCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000285345886 551741314 /nfs/dbraw/zinc/74/13/14/551741314.db2.gz DFPLUDSGBHVZFB-UHFFFAOYSA-N 1 0 361.851 2.009 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000285966550 551832767 /nfs/dbraw/zinc/83/27/67/551832767.db2.gz DLRIKBGCEQCEFX-OCCSQVGLSA-N 1 0 351.403 2.073 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000286049702 551843059 /nfs/dbraw/zinc/84/30/59/551843059.db2.gz ATECMBIVTLYUFJ-DOMZBBRYSA-N 1 0 360.414 2.230 20 5 FEBDRO CN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286291089 551870492 /nfs/dbraw/zinc/87/04/92/551870492.db2.gz HPOMHFSBSJEAIF-ONXXMXGDSA-N 1 0 353.444 2.060 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000286439350 551885582 /nfs/dbraw/zinc/88/55/82/551885582.db2.gz IOGJSVXAAVERIR-UHFFFAOYSA-N 1 0 350.419 2.335 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000286750525 551922021 /nfs/dbraw/zinc/92/20/21/551922021.db2.gz PBWLIKQPWBEKRX-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286930721 551941565 /nfs/dbraw/zinc/94/15/65/551941565.db2.gz NIYJMTWLDKDXNC-CZUORRHYSA-N 1 0 362.430 2.101 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000499360063 561549493 /nfs/dbraw/zinc/54/94/93/561549493.db2.gz UQAKELFZZXTRHW-UHFFFAOYSA-N 1 0 352.341 2.405 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000288128223 552096233 /nfs/dbraw/zinc/09/62/33/552096233.db2.gz KMXHUZOMBXQMLH-GDBMZVCRSA-N 1 0 374.441 2.235 20 5 FEBDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000288512151 552166596 /nfs/dbraw/zinc/16/65/96/552166596.db2.gz ZZFLXKTXUUHXKN-OAHLLOKOSA-N 1 0 361.402 2.138 20 5 FEBDRO C[N@H+](CCn1cc(Br)cn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288718635 552200028 /nfs/dbraw/zinc/20/00/28/552200028.db2.gz FTGMXAZGPSCFDH-AWEZNQCLSA-N 1 0 369.219 2.219 20 5 FEBDRO CCC[C@]1(CO)CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723526 552200902 /nfs/dbraw/zinc/20/09/02/552200902.db2.gz GALNQQRANQOJQV-UGSOOPFHSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500153173 561566875 /nfs/dbraw/zinc/56/68/75/561566875.db2.gz YCWOHWSROPCOHT-GFCCVEGCSA-N 1 0 359.423 2.277 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000289280040 552294260 /nfs/dbraw/zinc/29/42/60/552294260.db2.gz ZCIFVQHIIWDHMD-UKRRQHHQSA-N 1 0 374.441 2.235 20 5 FEBDRO CC(C)(CCO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289480367 552328646 /nfs/dbraw/zinc/32/86/46/552328646.db2.gz JZYOVRGSKJWDKM-UHFFFAOYSA-N 1 0 364.183 2.450 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1SC ZINC000289538441 552337209 /nfs/dbraw/zinc/33/72/09/552337209.db2.gz BNNDSEQYQJJAKY-MNOVXSKESA-N 1 0 351.428 2.007 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H](O)C2)c1 ZINC000289548887 552338807 /nfs/dbraw/zinc/33/88/07/552338807.db2.gz DCUBYJISRMAQKC-GFCCVEGCSA-N 1 0 362.167 2.156 20 5 FEBDRO CC(C)c1ccc(C[NH2+]CC2(OCCO)CCOCC2)cc1[N+](=O)[O-] ZINC000500469701 561574125 /nfs/dbraw/zinc/57/41/25/561574125.db2.gz KWKHVNRIEFGQKL-UHFFFAOYSA-N 1 0 352.431 2.366 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)C1CCCC1 ZINC000289615679 552350123 /nfs/dbraw/zinc/35/01/23/552350123.db2.gz SLGLGCGYMUUKAC-HNNXBMFYSA-N 1 0 351.403 2.073 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000289691054 552362642 /nfs/dbraw/zinc/36/26/42/552362642.db2.gz GOLSSLFKGMZVCV-UHFFFAOYSA-N 1 0 364.446 2.468 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000289863680 552391107 /nfs/dbraw/zinc/39/11/07/552391107.db2.gz VLECLZHXBMNTAM-UHFFFAOYSA-N 1 0 365.474 2.462 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931955 561586005 /nfs/dbraw/zinc/58/60/05/561586005.db2.gz WUPZGHAVWXOGSV-GASCZTMLSA-N 1 0 369.487 2.320 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000290582007 552502054 /nfs/dbraw/zinc/50/20/54/552502054.db2.gz URLWBYMFDMANNE-XJKSGUPXSA-N 1 0 374.441 2.181 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000290690730 552520640 /nfs/dbraw/zinc/52/06/40/552520640.db2.gz UXCAFFKHWSMCHL-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290753650 552532097 /nfs/dbraw/zinc/53/20/97/552532097.db2.gz YXYNUOCXGNWQTP-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO C[C@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291191519 552597911 /nfs/dbraw/zinc/59/79/11/552597911.db2.gz STVRBJSFVYINJQ-SWLSCSKDSA-N 1 0 355.398 2.164 20 5 FEBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262848 552607593 /nfs/dbraw/zinc/60/75/93/552607593.db2.gz XEQGBSCIYUSLAF-DDBAPUKQSA-N 1 0 363.458 2.408 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000291264206 552607870 /nfs/dbraw/zinc/60/78/70/552607870.db2.gz KUMUNJGAOKIYND-CQSZACIVSA-N 1 0 362.430 2.038 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291345712 552616914 /nfs/dbraw/zinc/61/69/14/552616914.db2.gz XOFOMKHTEOUQIK-QGZVFWFLSA-N 1 0 371.441 2.210 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000291425819 552623115 /nfs/dbraw/zinc/62/31/15/552623115.db2.gz YAOUSQDXTWUHPD-UHFFFAOYSA-N 1 0 362.430 2.038 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291703402 552653044 /nfs/dbraw/zinc/65/30/44/552653044.db2.gz URZKOLFBLWLAKK-UHFFFAOYSA-N 1 0 352.435 2.097 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292888680 552768761 /nfs/dbraw/zinc/76/87/61/552768761.db2.gz UUUGHDBVVIGWAV-MRXNPFEDSA-N 1 0 353.444 2.010 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295105611 552959437 /nfs/dbraw/zinc/95/94/37/552959437.db2.gz ZLXNPGHJMAPLLW-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295165894 552965355 /nfs/dbraw/zinc/96/53/55/552965355.db2.gz STIGWSZPEUGKTC-LOWQCSRCSA-N 1 0 365.430 2.425 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000295167718 552965658 /nfs/dbraw/zinc/96/56/58/552965658.db2.gz RINCIVHWGPWDSN-CYBMUJFWSA-N 1 0 367.833 2.351 20 5 FEBDRO C[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+](C2CC2)C1 ZINC000295243137 552974928 /nfs/dbraw/zinc/97/49/28/552974928.db2.gz DBPZJKLHTUZWNR-CQSZACIVSA-N 1 0 369.425 2.337 20 5 FEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295303093 552984049 /nfs/dbraw/zinc/98/40/49/552984049.db2.gz MLBIPFPSIRZUCS-JSGCOSHPSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000295393342 552999136 /nfs/dbraw/zinc/99/91/36/552999136.db2.gz QSYYPTLMHGEAAQ-GFCCVEGCSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295471623 553012158 /nfs/dbraw/zinc/01/21/58/553012158.db2.gz ZASPDUQWCUZRKU-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO COc1cc(C)nc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c1 ZINC000502135544 561612681 /nfs/dbraw/zinc/61/26/81/561612681.db2.gz LIGXHYGDQWIGGJ-UHFFFAOYSA-N 1 0 354.160 2.279 20 5 FEBDRO CO[C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1(C)C ZINC000295890342 553072336 /nfs/dbraw/zinc/07/23/36/553072336.db2.gz GNKJDNXWENAEKK-OAHLLOKOSA-N 1 0 365.386 2.009 20 5 FEBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000295923356 553076319 /nfs/dbraw/zinc/07/63/19/553076319.db2.gz FMHKYIRIWFQORM-RYUDHWBXSA-N 1 0 361.402 2.498 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000296350601 553146150 /nfs/dbraw/zinc/14/61/50/553146150.db2.gz VACRNFZIIBTXEZ-ZDUSSCGKSA-N 1 0 374.441 2.038 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000502619234 561622263 /nfs/dbraw/zinc/62/22/63/561622263.db2.gz CGHIKKMYCCHHHP-RWMBFGLXSA-N 1 0 351.403 2.335 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296422016 553157230 /nfs/dbraw/zinc/15/72/30/553157230.db2.gz VRKIHWDUURHPGT-BMGDILEWSA-N 1 0 357.410 2.031 20 5 FEBDRO COc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000296432942 553159118 /nfs/dbraw/zinc/15/91/18/553159118.db2.gz UBEZDEIMDKRQNT-UHFFFAOYSA-N 1 0 362.430 2.420 20 5 FEBDRO Cc1cc(F)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296613137 553187556 /nfs/dbraw/zinc/18/75/56/553187556.db2.gz AXRHOWJGTRUMPP-LBPRGKRZSA-N 1 0 368.409 2.351 20 5 FEBDRO CCOc1cc(CN2CCC[C@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000502812112 561626360 /nfs/dbraw/zinc/62/63/60/561626360.db2.gz ZEBHQLNLRSNQSJ-AWEZNQCLSA-N 1 0 356.444 2.393 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502834255 561627018 /nfs/dbraw/zinc/62/70/18/561627018.db2.gz QZPVVUBUKIZABA-GJZGRUSLSA-N 1 0 358.398 2.297 20 5 FEBDRO O=[N+]([O-])c1ccn(CCN2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000297345353 553281059 /nfs/dbraw/zinc/28/10/59/553281059.db2.gz DULXKPRMYHFHSC-UHFFFAOYSA-N 1 0 352.398 2.162 20 5 FEBDRO COC(=O)Cc1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000297438786 553292469 /nfs/dbraw/zinc/29/24/69/553292469.db2.gz INJSDMVTRMFVGM-MRXNPFEDSA-N 1 0 361.442 2.478 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297463791 553295894 /nfs/dbraw/zinc/29/58/94/553295894.db2.gz NFEDKFFJCWCBHD-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000298676339 553457742 /nfs/dbraw/zinc/45/77/42/553457742.db2.gz RSTMCRVXFBJSAI-UHFFFAOYSA-N 1 0 363.414 2.484 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000299429475 553562174 /nfs/dbraw/zinc/56/21/74/553562174.db2.gz XMAUJTZKMGUATO-ZBFHGGJFSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000299655025 553597251 /nfs/dbraw/zinc/59/72/51/553597251.db2.gz UGVFBAGMSNOCOH-CQSZACIVSA-N 1 0 358.320 2.176 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299730186 553608820 /nfs/dbraw/zinc/60/88/20/553608820.db2.gz WQYGJMGVWAPHSQ-KGLIPLIRSA-N 1 0 362.430 2.091 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523672 553658118 /nfs/dbraw/zinc/65/81/18/553658118.db2.gz GUFHHHZKJGIMTA-DZGCQCFKSA-N 1 0 371.441 2.336 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000302205080 553710221 /nfs/dbraw/zinc/71/02/21/553710221.db2.gz WTPSJOOZRCNPIV-ZDUSSCGKSA-N 1 0 363.414 2.294 20 5 FEBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+]1CC(C)(C)O ZINC000302522715 553720215 /nfs/dbraw/zinc/72/02/15/553720215.db2.gz YLTMHASQWRYAKK-NSHDSACASA-N 1 0 359.373 2.478 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000302607071 553723056 /nfs/dbraw/zinc/72/30/56/553723056.db2.gz DHKCWAJRWIKQCU-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000302800558 553733433 /nfs/dbraw/zinc/73/34/33/553733433.db2.gz CBHWOULOYDEAGZ-OAHLLOKOSA-N 1 0 366.849 2.299 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302972321 553742730 /nfs/dbraw/zinc/74/27/30/553742730.db2.gz IHNGSMXGFLDQTP-TXEJJXNPSA-N 1 0 350.419 2.182 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000326570120 553781501 /nfs/dbraw/zinc/78/15/01/553781501.db2.gz VXFBPCSFPNQXOB-QWHCGFSZSA-N 1 0 357.407 2.029 20 5 FEBDRO [NH3+]CCC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000327640115 553790098 /nfs/dbraw/zinc/79/00/98/553790098.db2.gz BKNFJZOKCKQSKH-QGZVFWFLSA-N 1 0 363.439 2.494 20 5 FEBDRO CCOC(=O)C1CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000327777155 553791435 /nfs/dbraw/zinc/79/14/35/553791435.db2.gz NRGUFTYBURMSOX-UHFFFAOYSA-N 1 0 350.415 2.477 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000507848957 561743144 /nfs/dbraw/zinc/74/31/44/561743144.db2.gz BXIXJDAVVYBGSL-UHFFFAOYSA-N 1 0 372.425 2.370 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000330665130 554153577 /nfs/dbraw/zinc/15/35/77/554153577.db2.gz VFBXDKVMUZGPGL-ZIAGYGMSSA-N 1 0 357.863 2.295 20 5 FEBDRO CS[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000330902700 554185477 /nfs/dbraw/zinc/18/54/77/554185477.db2.gz XVMYHMOMBTWPNC-WKPIXPDZSA-N 1 0 355.435 2.341 20 5 FEBDRO CN(C)[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCSC1 ZINC000331539954 554282589 /nfs/dbraw/zinc/28/25/89/554282589.db2.gz FQACLKCWBBPESV-YCPHGPKFSA-N 1 0 353.492 2.302 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954516 554352102 /nfs/dbraw/zinc/35/21/02/554352102.db2.gz TURKYNMQALGJDW-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000332075835 554374553 /nfs/dbraw/zinc/37/45/53/554374553.db2.gz FYOSERRNAMHHPK-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332081029 554376021 /nfs/dbraw/zinc/37/60/21/554376021.db2.gz LAVNPDNHABXLIH-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000332091775 554378750 /nfs/dbraw/zinc/37/87/50/554378750.db2.gz VVGJFHZTCWEVPU-HOCLYGCPSA-N 1 0 367.471 2.459 20 5 FEBDRO CCOC(=O)c1ccnc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609960734 554444662 /nfs/dbraw/zinc/44/46/62/554444662.db2.gz AXQYBMWKMWHNSW-BETUJISGSA-N 1 0 366.418 2.078 20 5 FEBDRO COCCN1C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC[C@@H]21 ZINC000332587804 554477536 /nfs/dbraw/zinc/47/75/36/554477536.db2.gz LRVRGVZEOQSUMH-XKQJLSEDSA-N 1 0 362.430 2.079 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592785 554478785 /nfs/dbraw/zinc/47/87/85/554478785.db2.gz NYLYZRINDQYGQD-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO COC(=O)c1ccccc1NC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511106622 561857145 /nfs/dbraw/zinc/85/71/45/561857145.db2.gz LXTDVSTUDSWZOT-UHFFFAOYSA-N 1 0 371.393 2.494 20 5 FEBDRO C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000511314452 561864786 /nfs/dbraw/zinc/86/47/86/561864786.db2.gz NMIIMGRYMRMUAF-ZDUSSCGKSA-N 1 0 369.425 2.376 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000511346887 561866181 /nfs/dbraw/zinc/86/61/81/561866181.db2.gz RRHHTRDMRBRFPL-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023439 554860452 /nfs/dbraw/zinc/86/04/52/554860452.db2.gz RORQPOSBLPDZBF-MEDUHNTESA-N 1 0 366.805 2.058 20 5 FEBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000361105894 554904507 /nfs/dbraw/zinc/90/45/07/554904507.db2.gz SXFLIOKAGYWROQ-CFVMTHIKSA-N 1 0 360.414 2.087 20 5 FEBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000361105890 554904538 /nfs/dbraw/zinc/90/45/38/554904538.db2.gz SXFLIOKAGYWROQ-AEGPPILISA-N 1 0 360.414 2.087 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362080672 554948639 /nfs/dbraw/zinc/94/86/39/554948639.db2.gz SZWXFCDVFWVRHJ-QAPCUYQASA-N 1 0 362.474 2.061 20 5 FEBDRO CCc1nn(C)c(NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337122 554965201 /nfs/dbraw/zinc/96/52/01/554965201.db2.gz SRTJGQJKQHNCKI-IUODEOHRSA-N 1 0 361.450 2.119 20 5 FEBDRO O=C(NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000362930725 555000207 /nfs/dbraw/zinc/00/02/07/555000207.db2.gz FVFUYUFIGMSJMM-MLGOLLRUSA-N 1 0 367.833 2.479 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000362979568 555004951 /nfs/dbraw/zinc/00/49/51/555004951.db2.gz HNAJUISAGQDIEO-UHFFFAOYSA-N 1 0 366.487 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363193839 555050550 /nfs/dbraw/zinc/05/05/50/555050550.db2.gz ZVZFWUBCDAMSPT-ZFWWWQNUSA-N 1 0 362.430 2.101 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363219412 555056265 /nfs/dbraw/zinc/05/62/65/555056265.db2.gz RPLSUGIGXCDKRD-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000363405060 555097462 /nfs/dbraw/zinc/09/74/62/555097462.db2.gz CFDJAQYUFKPMGL-BJZITVGISA-N 1 0 372.469 2.194 20 5 FEBDRO C[C@@H]1OCC[C@@]12C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929036 555216048 /nfs/dbraw/zinc/21/60/48/555216048.db2.gz UQUUNPNGGRAEJF-QWQRMKEZSA-N 1 0 363.414 2.192 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000364038881 555237873 /nfs/dbraw/zinc/23/78/73/555237873.db2.gz OHMZMQXTQXIHJR-QWRGUYRKSA-N 1 0 369.805 2.310 20 5 FEBDRO Cc1c(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000364145331 555258409 /nfs/dbraw/zinc/25/84/09/555258409.db2.gz XJFGEWUUJKRESU-GJZGRUSLSA-N 1 0 362.430 2.356 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000364195072 555267442 /nfs/dbraw/zinc/26/74/42/555267442.db2.gz BDKVFEPCLSHYFL-HZPDHXFCSA-N 1 0 359.357 2.309 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340108 555294643 /nfs/dbraw/zinc/29/46/43/555294643.db2.gz RKKGNFBGKROVCB-HUUCEWRRSA-N 1 0 352.387 2.146 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364375306 555301656 /nfs/dbraw/zinc/30/16/56/555301656.db2.gz ADEOULNUGQMYBI-KFWWJZLASA-N 1 0 364.450 2.011 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556828 555337802 /nfs/dbraw/zinc/33/78/02/555337802.db2.gz KQFYUJUJCZEKQU-INWMFGNUSA-N 1 0 365.405 2.353 20 5 FEBDRO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000364765599 555396387 /nfs/dbraw/zinc/39/63/87/555396387.db2.gz XVWDGIGZCRRMLG-CQSZACIVSA-N 1 0 363.414 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000364934363 555442216 /nfs/dbraw/zinc/44/22/16/555442216.db2.gz OJXHNQPUTYRZEC-GDBMZVCRSA-N 1 0 353.444 2.104 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000365093142 555483445 /nfs/dbraw/zinc/48/34/45/555483445.db2.gz SAECFAMEGIJZPN-SJLPKXTDSA-N 1 0 355.398 2.124 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCOCC(F)(F)C(F)F)C2)c1 ZINC000365286293 555532416 /nfs/dbraw/zinc/53/24/16/555532416.db2.gz CTPDEFOOBWUZRT-SNVBAGLBSA-N 1 0 354.304 2.345 20 5 FEBDRO COc1cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([N+](=O)[O-])cc1F ZINC000365338740 555547782 /nfs/dbraw/zinc/54/77/82/555547782.db2.gz VAMSTVQEUIWWDV-UHFFFAOYSA-N 1 0 351.378 2.187 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000365483170 555587956 /nfs/dbraw/zinc/58/79/56/555587956.db2.gz MMJMKRRHIVKPNE-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)nn3C)C2)cc1[N+](=O)[O-] ZINC000365534752 555601995 /nfs/dbraw/zinc/60/19/95/555601995.db2.gz OTNHDHDVIDBYCH-OAHLLOKOSA-N 1 0 359.430 2.404 20 5 FEBDRO O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549087 555605994 /nfs/dbraw/zinc/60/59/94/555605994.db2.gz GHCLXTNGTQBECJ-UDTPNQRGSA-N 1 0 370.453 2.116 20 5 FEBDRO COCCC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000365827904 555676426 /nfs/dbraw/zinc/67/64/26/555676426.db2.gz SGHPKOKZAFKAHQ-UHFFFAOYSA-N 1 0 352.391 2.047 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365910961 555698846 /nfs/dbraw/zinc/69/88/46/555698846.db2.gz BQFRMTVYXPOWQM-CVEARBPZSA-N 1 0 362.430 2.275 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000366697765 555911943 /nfs/dbraw/zinc/91/19/43/555911943.db2.gz RBPWVELKRWFQBO-GASCZTMLSA-N 1 0 357.414 2.104 20 5 FEBDRO Cc1cccc(NC(=O)[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000366710781 555915241 /nfs/dbraw/zinc/91/52/41/555915241.db2.gz OZYRNAOONZDOAB-IRXDYDNUSA-N 1 0 370.409 2.435 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000514243057 561965345 /nfs/dbraw/zinc/96/53/45/561965345.db2.gz XFQCFCGKAQGXDW-WXHSDQCUSA-N 1 0 351.403 2.408 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)co2)cc1 ZINC000366898189 555963380 /nfs/dbraw/zinc/96/33/80/555963380.db2.gz ZZSITKUQSYBVHL-ROUUACIJSA-N 1 0 372.425 2.281 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000367642067 556103466 /nfs/dbraw/zinc/10/34/66/556103466.db2.gz GSAZRSSMWSCIDJ-YJBOKZPZSA-N 1 0 370.409 2.061 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000367783117 556138004 /nfs/dbraw/zinc/13/80/04/556138004.db2.gz KMFBCNXWTLEUOG-HNNXBMFYSA-N 1 0 355.398 2.150 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000367986771 556188812 /nfs/dbraw/zinc/18/88/12/556188812.db2.gz KFFWMNMGDZIQST-CYBMUJFWSA-N 1 0 370.409 2.310 20 5 FEBDRO Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515054516 561994066 /nfs/dbraw/zinc/99/40/66/561994066.db2.gz YXBSLAQKPMPESJ-QRTARXTBSA-N 1 0 369.425 2.195 20 5 FEBDRO Cn1cc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515054514 561994090 /nfs/dbraw/zinc/99/40/90/561994090.db2.gz YXBSLAQKPMPESJ-JLJPHGGASA-N 1 0 369.425 2.195 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368235857 556255410 /nfs/dbraw/zinc/25/54/10/556255410.db2.gz QYUCPARWYKUBRR-NVXWUHKLSA-N 1 0 350.415 2.083 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368371268 556290443 /nfs/dbraw/zinc/29/04/43/556290443.db2.gz UVRMNHGMHAWZPU-FZMZJTMJSA-N 1 0 368.231 2.110 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000515216820 562001305 /nfs/dbraw/zinc/00/13/05/562001305.db2.gz PMPBCRTVMBUXRQ-KBPBESRZSA-N 1 0 355.460 2.277 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000515500932 562013272 /nfs/dbraw/zinc/01/32/72/562013272.db2.gz XEDRMBAKQJCPSI-TXEJJXNPSA-N 1 0 358.398 2.403 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000368680160 556383877 /nfs/dbraw/zinc/38/38/77/556383877.db2.gz JPPZFHAEMKSODM-UHFFFAOYSA-N 1 0 357.414 2.391 20 5 FEBDRO COc1ccc2cc(C[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000515637079 562017897 /nfs/dbraw/zinc/01/78/97/562017897.db2.gz BYCDLNKUIUYDOU-KRWDZBQOSA-N 1 0 356.382 2.104 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000515736630 562020641 /nfs/dbraw/zinc/02/06/41/562020641.db2.gz NCIKSWNPHJFTQV-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000515756279 562021213 /nfs/dbraw/zinc/02/12/13/562021213.db2.gz VDHDTJZTIDYHQI-CYBMUJFWSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758127 562021276 /nfs/dbraw/zinc/02/12/76/562021276.db2.gz BMQKLKLNPKQYQD-STQMWFEESA-N 1 0 373.450 2.380 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000369204066 556534899 /nfs/dbraw/zinc/53/48/99/556534899.db2.gz NUDSJHMKCRSQNN-OAHLLOKOSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272320 556559274 /nfs/dbraw/zinc/55/92/74/556559274.db2.gz AYYJQNAGCQYMQM-GFCCVEGCSA-N 1 0 366.849 2.147 20 5 FEBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369317831 556573585 /nfs/dbraw/zinc/57/35/85/556573585.db2.gz PZXSBXNFTHCUND-UHFFFAOYSA-N 1 0 357.414 2.207 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369530328 556621898 /nfs/dbraw/zinc/62/18/98/556621898.db2.gz GUACASWSOFVVFA-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721392 556677977 /nfs/dbraw/zinc/67/79/77/556677977.db2.gz DQPXCONIIGYFBU-VNQPRFMTSA-N 1 0 373.457 2.450 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000369845068 556710947 /nfs/dbraw/zinc/71/09/47/556710947.db2.gz HKSZWCNLYKTFLW-MUKKUYKPSA-N 1 0 374.441 2.226 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCCN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000369905951 556726489 /nfs/dbraw/zinc/72/64/89/556726489.db2.gz JJXKHWGEOQPXSZ-UHFFFAOYSA-N 1 0 360.458 2.297 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516377 562045685 /nfs/dbraw/zinc/04/56/85/562045685.db2.gz BYXGZDMNUJWVIU-UONOGXRCSA-N 1 0 361.402 2.477 20 5 FEBDRO Cc1ncccc1O[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113805 556784507 /nfs/dbraw/zinc/78/45/07/556784507.db2.gz VNBKBVOCHAPSGV-WMZOPIPTSA-N 1 0 373.409 2.191 20 5 FEBDRO Cc1ncccc1O[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113804 556784910 /nfs/dbraw/zinc/78/49/10/556784910.db2.gz VNBKBVOCHAPSGV-SJLPKXTDSA-N 1 0 373.409 2.191 20 5 FEBDRO CC[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000516761493 562056798 /nfs/dbraw/zinc/05/67/98/562056798.db2.gz GTLCEGUBBWNXLQ-UONOGXRCSA-N 1 0 368.821 2.253 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370408946 556863805 /nfs/dbraw/zinc/86/38/05/556863805.db2.gz ZQLARHCTUCLUQP-IBGZPJMESA-N 1 0 374.441 2.176 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000370537333 556902759 /nfs/dbraw/zinc/90/27/59/556902759.db2.gz DBGANAODLDQYHW-UHFFFAOYSA-N 1 0 371.235 2.053 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCN3CCO[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1N ZINC000370587238 556915233 /nfs/dbraw/zinc/91/52/33/556915233.db2.gz DFJFHMLOGHJFPO-HNNXBMFYSA-N 1 0 360.458 2.295 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCOC2=O)CC1 ZINC000371158161 557091953 /nfs/dbraw/zinc/09/19/53/557091953.db2.gz QQTREAXNVJZQKH-UHFFFAOYSA-N 1 0 361.398 2.261 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](CO)C2CCCCC2)c1 ZINC000517236508 562081894 /nfs/dbraw/zinc/08/18/94/562081894.db2.gz YQCONKAKQUOWMW-WBVHZDCISA-N 1 0 352.431 2.113 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371231729 557113625 /nfs/dbraw/zinc/11/36/25/557113625.db2.gz PYZSCYAVYIZTHC-HNNXBMFYSA-N 1 0 351.378 2.103 20 5 FEBDRO Cc1c(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000371292244 557134129 /nfs/dbraw/zinc/13/41/29/557134129.db2.gz BHDPWKNCMMGCLV-KBAYOESNSA-N 1 0 361.442 2.156 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] ZINC000371479278 557194377 /nfs/dbraw/zinc/19/43/77/557194377.db2.gz FLWHXLZUANMQDU-JCGVRSQUSA-N 1 0 360.414 2.274 20 5 FEBDRO CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000517652587 562094756 /nfs/dbraw/zinc/09/47/56/562094756.db2.gz JMFQBAKHVPOXEQ-UHFFFAOYSA-N 1 0 359.361 2.133 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000371689969 557263449 /nfs/dbraw/zinc/26/34/49/557263449.db2.gz UOJSFTWNJGZLEI-HOTGVXAUSA-N 1 0 360.414 2.086 20 5 FEBDRO COc1cc(C[NH2+]CC2(O)Cc3ccccc3C2)c([N+](=O)[O-])cc1OC ZINC000371700568 557268409 /nfs/dbraw/zinc/26/84/09/557268409.db2.gz GNJDOTZFDYCDPG-UHFFFAOYSA-N 1 0 358.394 2.232 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000371902589 557325577 /nfs/dbraw/zinc/32/55/77/557325577.db2.gz WWFPXBGQWIQJMR-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCOC2(CCOCC2)CC1 ZINC000372197649 557406695 /nfs/dbraw/zinc/40/66/95/557406695.db2.gz RHPLQKFVVRAAOW-AWEZNQCLSA-N 1 0 363.414 2.193 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000519548892 562134479 /nfs/dbraw/zinc/13/44/79/562134479.db2.gz ZQOHMSVKZQRIGJ-AWEZNQCLSA-N 1 0 355.460 2.260 20 5 FEBDRO Cn1ccnc1[C@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000373049169 557616627 /nfs/dbraw/zinc/61/66/27/557616627.db2.gz MAXZHMZIUAFKFP-HNNXBMFYSA-N 1 0 357.414 2.460 20 5 FEBDRO Cn1ccnc1[C@@H]1CCCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000373049170 557616854 /nfs/dbraw/zinc/61/68/54/557616854.db2.gz MAXZHMZIUAFKFP-OAHLLOKOSA-N 1 0 357.414 2.460 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000373061760 557619250 /nfs/dbraw/zinc/61/92/50/557619250.db2.gz YCSOQBUQKIUFHZ-GJZGRUSLSA-N 1 0 357.414 2.228 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000373172768 557643122 /nfs/dbraw/zinc/64/31/22/557643122.db2.gz KROKIEXAUXODEY-CYBMUJFWSA-N 1 0 363.395 2.202 20 5 FEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000373210507 557650846 /nfs/dbraw/zinc/65/08/46/557650846.db2.gz PCNHORNFDPHVLE-UHFFFAOYSA-N 1 0 372.385 2.394 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000519995858 562148394 /nfs/dbraw/zinc/14/83/94/562148394.db2.gz ULVGIJPYZVWYDP-CYBMUJFWSA-N 1 0 359.430 2.455 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000373281156 557664711 /nfs/dbraw/zinc/66/47/11/557664711.db2.gz ONQFPZHENBSXOJ-ZBEGNZNMSA-N 1 0 366.805 2.058 20 5 FEBDRO C[C@@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C[NH+](C)C ZINC000373335002 557674557 /nfs/dbraw/zinc/67/45/57/557674557.db2.gz WKMNMTBPIGMBHT-CYBMUJFWSA-N 1 0 366.466 2.114 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467739 557699154 /nfs/dbraw/zinc/69/91/54/557699154.db2.gz UVEXSICZWHJXIF-LSDHHAIUSA-N 1 0 366.466 2.114 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000520318398 562153296 /nfs/dbraw/zinc/15/32/96/562153296.db2.gz LXYQLMBVZWBDTF-CYBMUJFWSA-N 1 0 363.414 2.311 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)COCc3ccccc3)C2)c1 ZINC000373583192 557722836 /nfs/dbraw/zinc/72/28/36/557722836.db2.gz IVYDSNRMVXMBDA-AEFFLSMTSA-N 1 0 360.414 2.006 20 5 FEBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000520463445 562157067 /nfs/dbraw/zinc/15/70/67/562157067.db2.gz LHJZTWMKTNLZBD-QGZVFWFLSA-N 1 0 374.441 2.373 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373757804 557752681 /nfs/dbraw/zinc/75/26/81/557752681.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 1 0 362.474 2.204 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000521032273 562168042 /nfs/dbraw/zinc/16/80/42/562168042.db2.gz BQVDGNXBNFYARE-JFIYKMOQSA-N 1 0 363.414 2.240 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000374114867 557825889 /nfs/dbraw/zinc/82/58/89/557825889.db2.gz NZYWKRQCAIEOET-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO COc1cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000374255143 557851863 /nfs/dbraw/zinc/85/18/63/557851863.db2.gz IOHZQPBPRKVNGC-ZDUSSCGKSA-N 1 0 366.437 2.347 20 5 FEBDRO O=C1[C@@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366434 557872828 /nfs/dbraw/zinc/87/28/28/557872828.db2.gz NUBWWCLGPASVNM-YJBOKZPZSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000374372899 557873709 /nfs/dbraw/zinc/87/37/09/557873709.db2.gz GBRZZHKPRHRRAY-NWDGAFQWSA-N 1 0 352.366 2.027 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1COCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000374473283 557888523 /nfs/dbraw/zinc/88/85/23/557888523.db2.gz UFTZMJKDTLACCH-MRXNPFEDSA-N 1 0 360.414 2.397 20 5 FEBDRO CN(C)c1noc([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000374529459 557895549 /nfs/dbraw/zinc/89/55/49/557895549.db2.gz JBVLPQDQJVDKFM-ZDUSSCGKSA-N 1 0 361.402 2.302 20 5 FEBDRO O=C1[C@H](N2CCC([C@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604961 557905707 /nfs/dbraw/zinc/90/57/07/557905707.db2.gz OOHFLYHSJQFVEA-MAUKXSAKSA-N 1 0 359.426 2.449 20 5 FEBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609940 557906332 /nfs/dbraw/zinc/90/63/32/557906332.db2.gz HCQMKZQUFXNEIG-DLBZAZTESA-N 1 0 360.414 2.306 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000521129863 562170112 /nfs/dbraw/zinc/17/01/12/562170112.db2.gz RDAQGQSUXBVMDG-AWEZNQCLSA-N 1 0 351.451 2.198 20 5 FEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000374914864 557950560 /nfs/dbraw/zinc/95/05/60/557950560.db2.gz OAPBZGVSURBYAZ-AWEZNQCLSA-N 1 0 350.438 2.334 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000375049951 557969761 /nfs/dbraw/zinc/96/97/61/557969761.db2.gz PGDPITGYSFASTR-ROUUACIJSA-N 1 0 355.394 2.479 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375270043 558001854 /nfs/dbraw/zinc/00/18/54/558001854.db2.gz PFDZHYXVDXLHHU-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](n2cncn2)C1 ZINC000375326550 558009649 /nfs/dbraw/zinc/00/96/49/558009649.db2.gz DYYSWDDJQDCSMY-JQWIXIFHSA-N 1 0 364.793 2.114 20 5 FEBDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598424 558054827 /nfs/dbraw/zinc/05/48/27/558054827.db2.gz NGNDAQNEBNHWJF-INWMFGNUSA-N 1 0 360.414 2.042 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)c1[N+](=O)[O-] ZINC000375986323 558109965 /nfs/dbraw/zinc/10/99/65/558109965.db2.gz HVDBEQIESKPKQV-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO CCOC(=O)c1ccnc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000376000172 558111729 /nfs/dbraw/zinc/11/17/29/558111729.db2.gz NUIFKIWPPGLGDC-UHFFFAOYSA-N 1 0 362.430 2.479 20 5 FEBDRO CCC[N@H+](C)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000521648134 562181134 /nfs/dbraw/zinc/18/11/34/562181134.db2.gz MSXJISAHMQJTBE-UHFFFAOYSA-N 1 0 362.352 2.484 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376212201 558142100 /nfs/dbraw/zinc/14/21/00/558142100.db2.gz SGJPCLDEMMKBJQ-QAPCUYQASA-N 1 0 362.474 2.203 20 5 FEBDRO Cc1nc(CN(C)[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)no1 ZINC000376394041 558167576 /nfs/dbraw/zinc/16/75/76/558167576.db2.gz GTPIMSOYLGRETG-AWEZNQCLSA-N 1 0 360.418 2.359 20 5 FEBDRO COC(=O)c1cnc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000376466750 558177083 /nfs/dbraw/zinc/17/70/83/558177083.db2.gz KQSDRINOFHHHFO-UHFFFAOYSA-N 1 0 371.397 2.248 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])cc1OC ZINC000376512566 558183363 /nfs/dbraw/zinc/18/33/63/558183363.db2.gz LFNDFWPZLPGWEY-CQSZACIVSA-N 1 0 363.414 2.216 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(-n4cncn4)cc3)CC2)n1 ZINC000376650238 558203057 /nfs/dbraw/zinc/20/30/57/558203057.db2.gz DXWVGUXZTWFWFL-UHFFFAOYSA-N 1 0 353.386 2.209 20 5 FEBDRO Cc1nc(CN(C)[C@H]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC000376688396 558208657 /nfs/dbraw/zinc/20/86/57/558208657.db2.gz JXPDYRFYRVWPIM-AWEZNQCLSA-N 1 0 360.418 2.481 20 5 FEBDRO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000377078845 558261721 /nfs/dbraw/zinc/26/17/21/558261721.db2.gz QGIAOSQOIPUYGO-INIZCTEOSA-N 1 0 357.366 2.419 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000377532248 558359057 /nfs/dbraw/zinc/35/90/57/558359057.db2.gz SSHWXENSVJMPDG-INIZCTEOSA-N 1 0 363.462 2.214 20 5 FEBDRO COc1cc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC ZINC000377703625 558401289 /nfs/dbraw/zinc/40/12/89/558401289.db2.gz VMGLBXQSJHDTQX-GFCCVEGCSA-N 1 0 373.413 2.364 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377748237 558410703 /nfs/dbraw/zinc/41/07/03/558410703.db2.gz SHBFFSVUONNFCI-OAHLLOKOSA-N 1 0 369.425 2.242 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377837642 558432217 /nfs/dbraw/zinc/43/22/17/558432217.db2.gz PMRZMUAPHIBILB-JTDSTZFVSA-N 1 0 366.421 2.433 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000522872334 562205226 /nfs/dbraw/zinc/20/52/26/562205226.db2.gz QDNPSMLVCDADTF-AWEZNQCLSA-N 1 0 368.482 2.062 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000378063426 558472498 /nfs/dbraw/zinc/47/24/98/558472498.db2.gz WRYMITDLJQXPKR-OAHLLOKOSA-N 1 0 367.471 2.167 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000378063425 558472610 /nfs/dbraw/zinc/47/26/10/558472610.db2.gz WRYMITDLJQXPKR-HNNXBMFYSA-N 1 0 367.471 2.167 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523283346 562210375 /nfs/dbraw/zinc/21/03/75/562210375.db2.gz FRJXSEXQPWOMLT-CQSZACIVSA-N 1 0 351.451 2.297 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303263 558524826 /nfs/dbraw/zinc/52/48/26/558524826.db2.gz CIPSJWACQMXROL-DLBZAZTESA-N 1 0 371.441 2.012 20 5 FEBDRO Cc1sc(C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000523390747 562212313 /nfs/dbraw/zinc/21/23/13/562212313.db2.gz IXJDDTCOCZCBGL-UHFFFAOYSA-N 1 0 371.459 2.310 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(C)c([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000378347087 558534779 /nfs/dbraw/zinc/53/47/79/558534779.db2.gz BXWPJCFAPNRIIW-HOTGVXAUSA-N 1 0 371.441 2.412 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](Cc4ccccc4F)CC3)nn21 ZINC000378363167 558539382 /nfs/dbraw/zinc/53/93/82/558539382.db2.gz VBCLKSTZTNUFPB-UHFFFAOYSA-N 1 0 370.388 2.489 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649451 562216534 /nfs/dbraw/zinc/21/65/34/562216534.db2.gz OLUBLODWZVOTNX-ZFWWWQNUSA-N 1 0 363.414 2.046 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000378517771 558573407 /nfs/dbraw/zinc/57/34/07/558573407.db2.gz JRMJJXYMFVORSU-CQSZACIVSA-N 1 0 367.413 2.493 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000378570880 558586004 /nfs/dbraw/zinc/58/60/04/558586004.db2.gz TZOBTFNOIYOKGP-INIZCTEOSA-N 1 0 365.393 2.490 20 5 FEBDRO C[C@@H]1[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000408086231 558644686 /nfs/dbraw/zinc/64/46/86/558644686.db2.gz HJFFDAILOFVIIG-CABCVRRESA-N 1 0 360.458 2.362 20 5 FEBDRO O=C([C@H]1COCCN1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408156436 558652196 /nfs/dbraw/zinc/65/21/96/558652196.db2.gz ZSZODBAWHLAMLN-GOSISDBHSA-N 1 0 359.426 2.123 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000524755373 562233883 /nfs/dbraw/zinc/23/38/83/562233883.db2.gz DOWUZNAIWRHHFT-CQSZACIVSA-N 1 0 363.414 2.069 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524780774 562234581 /nfs/dbraw/zinc/23/45/81/562234581.db2.gz NAAUPNAYQNUFEF-DZGCQCFKSA-N 1 0 350.419 2.098 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410724625 558803418 /nfs/dbraw/zinc/80/34/18/558803418.db2.gz WSNZTJBMVXXJQV-RKDXNWHRSA-N 1 0 363.340 2.176 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000525103984 562240546 /nfs/dbraw/zinc/24/05/46/562240546.db2.gz VUJCBVWOPVXTBC-NEPJUHHUSA-N 1 0 351.403 2.215 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105002 562240561 /nfs/dbraw/zinc/24/05/61/562240561.db2.gz VCHAPVNQXXSJQC-VXGBXAGGSA-N 1 0 351.403 2.215 20 5 FEBDRO CC[NH+](CC)CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525129049 562240951 /nfs/dbraw/zinc/24/09/51/562240951.db2.gz CZAKZIQJKJKGBY-UHFFFAOYSA-N 1 0 369.487 2.478 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000411659160 558937691 /nfs/dbraw/zinc/93/76/91/558937691.db2.gz YDQXWQVSHCUYLC-BBRMVZONSA-N 1 0 351.403 2.049 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)C[C@@H]1[NH+](C)C ZINC000412218619 559020827 /nfs/dbraw/zinc/02/08/27/559020827.db2.gz RXVOKCSCBGCUKI-GOEBONIOSA-N 1 0 367.471 2.500 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1F ZINC000412306565 559026426 /nfs/dbraw/zinc/02/64/26/559026426.db2.gz REDQHLJHMYCVBW-LBPRGKRZSA-N 1 0 353.394 2.228 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413141227 559082166 /nfs/dbraw/zinc/08/21/66/559082166.db2.gz SWHJIBKLFWGYAI-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159988 559150975 /nfs/dbraw/zinc/15/09/75/559150975.db2.gz XIDMEYPSFWCPHW-CRAIPNDOSA-N 1 0 364.442 2.472 20 5 FEBDRO COCCNC(=O)C1([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000414187010 559152212 /nfs/dbraw/zinc/15/22/12/559152212.db2.gz PVMCLYKGNXMLMR-GDBMZVCRSA-N 1 0 361.442 2.191 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414307468 559155660 /nfs/dbraw/zinc/15/56/60/559155660.db2.gz UTHPHPMUGKYLAO-YVLXSGLVSA-N 1 0 357.357 2.450 20 5 FEBDRO CCOc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1OCC ZINC000414759144 559185896 /nfs/dbraw/zinc/18/58/96/559185896.db2.gz NWVUMUQFVNJFKH-RISCZKNCSA-N 1 0 364.402 2.218 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000414889112 559193435 /nfs/dbraw/zinc/19/34/35/559193435.db2.gz FWYWREJSFBAMDW-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO CC[C@@H]([NH3+])CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000414986653 559199100 /nfs/dbraw/zinc/19/91/00/559199100.db2.gz XZNXCYPTFXGNMI-SNVBAGLBSA-N 1 0 351.325 2.371 20 5 FEBDRO COc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415030970 559201326 /nfs/dbraw/zinc/20/13/26/559201326.db2.gz FSNGBXSEDCOCBR-YRWFTTLQSA-N 1 0 369.421 2.490 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649221 559258010 /nfs/dbraw/zinc/25/80/10/559258010.db2.gz PLGPJBDQBWHZAN-RYUDHWBXSA-N 1 0 362.430 2.217 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415692517 559262489 /nfs/dbraw/zinc/26/24/89/559262489.db2.gz HCSUEOJAAJQFNP-CYBMUJFWSA-N 1 0 350.419 2.474 20 5 FEBDRO [NH3+]CCOc1ccc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000415964596 559285422 /nfs/dbraw/zinc/28/54/22/559285422.db2.gz WTXYUTLKTZWMPV-UHFFFAOYSA-N 1 0 372.381 2.227 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000416664181 559328535 /nfs/dbraw/zinc/32/85/35/559328535.db2.gz RYPGZMJAYAZKHR-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417929481 559382198 /nfs/dbraw/zinc/38/21/98/559382198.db2.gz AQOVNIAXXQMIPX-UHFFFAOYSA-N 1 0 356.426 2.350 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418092159 559389921 /nfs/dbraw/zinc/38/99/21/559389921.db2.gz QWEOARLNYOHHTL-NEPJUHHUSA-N 1 0 372.347 2.365 20 5 FEBDRO Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001118 559425079 /nfs/dbraw/zinc/42/50/79/559425079.db2.gz LHNHHSKGJLVVFA-GJZGRUSLSA-N 1 0 371.441 2.252 20 5 FEBDRO Cc1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420169783 559475501 /nfs/dbraw/zinc/47/55/01/559475501.db2.gz LVJABFIGOMTSJJ-NSHDSACASA-N 1 0 374.363 2.213 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)nn1 ZINC000420368478 559483516 /nfs/dbraw/zinc/48/35/16/559483516.db2.gz ATFXIJDVZHKZFZ-AWEZNQCLSA-N 1 0 350.810 2.136 20 5 FEBDRO [NH3+][C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420387134 559484626 /nfs/dbraw/zinc/48/46/26/559484626.db2.gz JQBIKZOUGOTTBP-LSDHHAIUSA-N 1 0 358.373 2.099 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420404138 559485992 /nfs/dbraw/zinc/48/59/92/559485992.db2.gz OBEKTAKAJCISFK-ULFGMLNVSA-N 1 0 372.400 2.488 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420450887 559488111 /nfs/dbraw/zinc/48/81/11/559488111.db2.gz BBPOMAYWPGFOBR-KBPBESRZSA-N 1 0 353.444 2.056 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420623650 559494311 /nfs/dbraw/zinc/49/43/11/559494311.db2.gz HZQHZSXLOHBPLT-UHFFFAOYSA-N 1 0 370.475 2.130 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCNCc2cccnc2)n1 ZINC000423179872 559622085 /nfs/dbraw/zinc/62/20/85/559622085.db2.gz ALKYCWNYHRQVSF-SJORKVTESA-N 1 0 358.446 2.440 20 5 FEBDRO CCc1ccc([C@H](NC[C@@H]2C[NH2+]CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519625 559631055 /nfs/dbraw/zinc/63/10/55/559631055.db2.gz PMDXNBKWEJIREV-QFBILLFUSA-N 1 0 358.442 2.333 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C[NH3+] ZINC000424070756 559653678 /nfs/dbraw/zinc/65/36/78/559653678.db2.gz JWCDXZFCPYZKND-HZSPNIEDSA-N 1 0 357.414 2.226 20 5 FEBDRO Cc1cc(C(=O)NCc2nc(C3([NH3+])CCCCC3)no2)ccc1[N+](=O)[O-] ZINC000424345409 559661846 /nfs/dbraw/zinc/66/18/46/559661846.db2.gz FVOQQWXHHDLSKG-UHFFFAOYSA-N 1 0 359.386 2.334 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000425001598 559683160 /nfs/dbraw/zinc/68/31/60/559683160.db2.gz PDEOUSGYZBDEBU-UHFFFAOYSA-N 1 0 374.441 2.119 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000425359827 559698178 /nfs/dbraw/zinc/69/81/78/559698178.db2.gz TUFZDLIMBDGJRI-VIFPVBQESA-N 1 0 369.328 2.312 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425415987 559701115 /nfs/dbraw/zinc/70/11/15/559701115.db2.gz HSDKPBNNVGVFOV-CQSZACIVSA-N 1 0 372.263 2.246 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471898 559704173 /nfs/dbraw/zinc/70/41/73/559704173.db2.gz HRWVNMASAPVVEY-KRWDZBQOSA-N 1 0 364.446 2.204 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026759 559789169 /nfs/dbraw/zinc/78/91/69/559789169.db2.gz AATDBSVGTXXMFX-RGCFKVTRSA-N 1 0 372.469 2.362 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429309962 559795465 /nfs/dbraw/zinc/79/54/65/559795465.db2.gz SPORHNFNIBLMRV-LBPRGKRZSA-N 1 0 357.366 2.005 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000430212406 559815344 /nfs/dbraw/zinc/81/53/44/559815344.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 1 0 350.463 2.061 20 5 FEBDRO O=C1[C@@H](N2CCC([NH2+]CC3CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430561022 559822647 /nfs/dbraw/zinc/82/26/47/559822647.db2.gz YJRVPJJMQRRIAM-SFHVURJKSA-N 1 0 358.442 2.164 20 5 FEBDRO C[N@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039697 559870309 /nfs/dbraw/zinc/87/03/09/559870309.db2.gz NFLKCWMRPJEYBV-RBUKOAKNSA-N 1 0 369.421 2.236 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCO[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206100 559873711 /nfs/dbraw/zinc/87/37/11/559873711.db2.gz GMVWKRGOLYEFEH-SGTLLEGYSA-N 1 0 362.382 2.493 20 5 FEBDRO COc1cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380625 559921832 /nfs/dbraw/zinc/92/18/32/559921832.db2.gz SAJGVYOASYYPTR-MNOVXSKESA-N 1 0 359.373 2.416 20 5 FEBDRO COc1cc(CN(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435381599 559921932 /nfs/dbraw/zinc/92/19/32/559921932.db2.gz UWEQDYMUTMPANJ-VIFPVBQESA-N 1 0 351.325 2.324 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435564989 559925194 /nfs/dbraw/zinc/92/51/94/559925194.db2.gz DZQVHCYZOAJXKR-ZDUSSCGKSA-N 1 0 361.427 2.164 20 5 FEBDRO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000435750827 559929559 /nfs/dbraw/zinc/92/95/59/559929559.db2.gz ZUZLTJBRFIPPEH-UHFFFAOYSA-N 1 0 357.410 2.360 20 5 FEBDRO Cc1cc(OCC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801728 559930420 /nfs/dbraw/zinc/93/04/20/559930420.db2.gz UYQNHMOIYDQBOP-MSOLQXFVSA-N 1 0 369.421 2.496 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437755380 559969100 /nfs/dbraw/zinc/96/91/00/559969100.db2.gz FQDSEBFSPVZHGO-VNQPRFMTSA-N 1 0 351.378 2.058 20 5 FEBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000440823504 560018948 /nfs/dbraw/zinc/01/89/48/560018948.db2.gz WHDMBKYMYZAUEV-YUMQZZPRSA-N 1 0 368.242 2.273 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000440831795 560019210 /nfs/dbraw/zinc/01/92/10/560019210.db2.gz HCARTVMAWAWSFI-CQSZACIVSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C(=O)NCC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000441365152 560029739 /nfs/dbraw/zinc/02/97/39/560029739.db2.gz PATGSUBOFUURIF-APPDUMDISA-N 1 0 359.382 2.478 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443331966 560080550 /nfs/dbraw/zinc/08/05/50/560080550.db2.gz WUXDLOYWSJCSEZ-HEHGZKQESA-N 1 0 365.430 2.413 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000443361661 560081794 /nfs/dbraw/zinc/08/17/94/560081794.db2.gz YUHABBVLLSQGDF-ZIAGYGMSSA-N 1 0 362.430 2.173 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000443376844 560082547 /nfs/dbraw/zinc/08/25/47/560082547.db2.gz WXSWIIPMGYNPPR-GXTWGEPZSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443977595 560098117 /nfs/dbraw/zinc/09/81/17/560098117.db2.gz IQBIMUSCNSLAJY-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1sc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000445079378 560128289 /nfs/dbraw/zinc/12/82/89/560128289.db2.gz WEICGCYMFLIJEB-UHFFFAOYSA-N 1 0 359.473 2.117 20 5 FEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445995159 560138008 /nfs/dbraw/zinc/13/80/08/560138008.db2.gz YGWFJTXIBBNHFE-LBPRGKRZSA-N 1 0 356.220 2.110 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318429 560144210 /nfs/dbraw/zinc/14/42/10/560144210.db2.gz BVUXIVKRBFURRF-FRQCXROJSA-N 1 0 359.426 2.012 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000446321470 560144295 /nfs/dbraw/zinc/14/42/95/560144295.db2.gz PNDYERQTNYXAKW-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000447245991 560158695 /nfs/dbraw/zinc/15/86/95/560158695.db2.gz OAURAKFHYGVHBG-JGVFFNPUSA-N 1 0 368.242 2.259 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447941593 560174195 /nfs/dbraw/zinc/17/41/95/560174195.db2.gz LDADSZCRJYPPAY-OAHLLOKOSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447945025 560174314 /nfs/dbraw/zinc/17/43/14/560174314.db2.gz UVECMPGPHMIKDP-OAHLLOKOSA-N 1 0 355.460 2.302 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448595661 560191958 /nfs/dbraw/zinc/19/19/58/560191958.db2.gz BMQGCBQWUJIFHE-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO CCCS(=O)(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080159 560215001 /nfs/dbraw/zinc/21/50/01/560215001.db2.gz SZWVLXAPXZNUEU-CQSZACIVSA-N 1 0 369.487 2.320 20 5 FEBDRO CNC(=O)COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449091536 560215562 /nfs/dbraw/zinc/21/55/62/560215562.db2.gz QCNONAQQWPTIGK-AWEZNQCLSA-N 1 0 357.410 2.440 20 5 FEBDRO COCCOC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449395261 560228675 /nfs/dbraw/zinc/22/86/75/560228675.db2.gz UNOQPRNQQZTQSN-OAHLLOKOSA-N 1 0 352.431 2.328 20 5 FEBDRO COc1cc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508779 560232115 /nfs/dbraw/zinc/23/21/15/560232115.db2.gz NRFGAQKMLHKAQP-KSSFIOAISA-N 1 0 350.415 2.499 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000449689894 560236962 /nfs/dbraw/zinc/23/69/62/560236962.db2.gz MASXLOVBWOCNIG-OLZOCXBDSA-N 1 0 363.414 2.074 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@H]21 ZINC000450146947 560252139 /nfs/dbraw/zinc/25/21/39/560252139.db2.gz MJONSJUMEMHXSJ-HZPDHXFCSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1nc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450255073 560255898 /nfs/dbraw/zinc/25/58/98/560255898.db2.gz XWIPJKJLEYRNPL-ZIAGYGMSSA-N 1 0 371.441 2.915 20 5 FEBDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000450788022 560273444 /nfs/dbraw/zinc/27/34/44/560273444.db2.gz SKERDPSBQJHGIH-UHFFFAOYSA-N 1 0 369.425 2.447 20 5 FEBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260547 560296613 /nfs/dbraw/zinc/29/66/13/560296613.db2.gz UTXQOOXBQWTZMW-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000451305779 560299149 /nfs/dbraw/zinc/29/91/49/560299149.db2.gz WPKGEFUHCVOIJP-BMFZPTHFSA-N 1 0 374.397 2.007 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418399 560305786 /nfs/dbraw/zinc/30/57/86/560305786.db2.gz MREYVOWRINWJGW-BMFZPTHFSA-N 1 0 363.414 2.167 20 5 FEBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475614 560309292 /nfs/dbraw/zinc/30/92/92/560309292.db2.gz CLWSAJFIXHVAFF-SJORKVTESA-N 1 0 359.426 2.421 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451558281 560314564 /nfs/dbraw/zinc/31/45/64/560314564.db2.gz FTSWKENTORRKCG-IUODEOHRSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1C1CC1 ZINC000451565939 560315153 /nfs/dbraw/zinc/31/51/53/560315153.db2.gz MXORUQWWRBTCJJ-UHFFFAOYSA-N 1 0 353.342 2.268 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571839 560315411 /nfs/dbraw/zinc/31/54/11/560315411.db2.gz QFSXCHYUAOTZNV-LRDDRELGSA-N 1 0 351.403 2.289 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451589792 560316202 /nfs/dbraw/zinc/31/62/02/560316202.db2.gz WLITXVWUKAVABA-OWCLPIDISA-N 1 0 361.398 2.022 20 5 FEBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000451602840 560316828 /nfs/dbraw/zinc/31/68/28/560316828.db2.gz WDAWCUGILKQBSM-VQIMIIECSA-N 1 0 363.458 2.363 20 5 FEBDRO CC1(C)C[C@H](O)CC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451804110 560329644 /nfs/dbraw/zinc/32/96/44/560329644.db2.gz APSUSVANBBOXRX-CQSZACIVSA-N 1 0 363.414 2.376 20 5 FEBDRO CC[C@@H]1CN(CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451930579 560338421 /nfs/dbraw/zinc/33/84/21/560338421.db2.gz JREBAPLUYDOGMP-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000452095052 560350884 /nfs/dbraw/zinc/35/08/84/560350884.db2.gz KMUHZOPIXNMNDR-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000452176803 560354690 /nfs/dbraw/zinc/35/46/90/560354690.db2.gz VYFRIHDOVGPRTN-LBPRGKRZSA-N 1 0 370.409 2.405 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452355159 560359692 /nfs/dbraw/zinc/35/96/92/560359692.db2.gz XBDCYQMGNAWPCO-DZGCQCFKSA-N 1 0 367.471 2.038 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452382814 560362220 /nfs/dbraw/zinc/36/22/20/560362220.db2.gz NAXXHSPPNBBZDM-ZDUSSCGKSA-N 1 0 367.471 2.283 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000452730073 560372431 /nfs/dbraw/zinc/37/24/31/560372431.db2.gz LNOUMIDAVWUKKS-UHFFFAOYSA-N 1 0 371.441 2.271 20 5 FEBDRO CC(C)[N@@H+]1CCc2nc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])sc2C1 ZINC000453021778 560381474 /nfs/dbraw/zinc/38/14/74/560381474.db2.gz GDHJPMHVDZJSCB-ARJAWSKDSA-N 1 0 363.399 2.189 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)cc1[N+](=O)[O-] ZINC000453258003 560384780 /nfs/dbraw/zinc/38/47/80/560384780.db2.gz HLAZRFJHONBKCV-ZBFHGGJFSA-N 1 0 351.447 2.491 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273277 560385080 /nfs/dbraw/zinc/38/50/80/560385080.db2.gz VOVSCFCLZKNKDG-GDBMZVCRSA-N 1 0 351.447 2.491 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000454929733 560463811 /nfs/dbraw/zinc/46/38/11/560463811.db2.gz QRQIJAYCRBUXET-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCn3cc([N+](=O)[O-])cn3)ccc21 ZINC000455949028 560501641 /nfs/dbraw/zinc/50/16/41/560501641.db2.gz YTTDPBCUBDOPEL-INIZCTEOSA-N 1 0 358.402 2.162 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000457070025 560546762 /nfs/dbraw/zinc/54/67/62/560546762.db2.gz GEDAXHUEDKKOCR-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457608150 560577674 /nfs/dbraw/zinc/57/76/74/560577674.db2.gz WUADTEJFNBBGDH-OAHLLOKOSA-N 1 0 373.457 2.267 20 5 FEBDRO CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514708 560628873 /nfs/dbraw/zinc/62/88/73/560628873.db2.gz RLIWCSKMIAYFGW-NVXWUHKLSA-N 1 0 364.446 2.192 20 5 FEBDRO CCOc1ccc(NC(=O)CN2[C@H](C)C[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000459454316 560687328 /nfs/dbraw/zinc/68/73/28/560687328.db2.gz DBBFBXLNULFXEN-OKILXGFUSA-N 1 0 364.446 2.347 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797651 560708842 /nfs/dbraw/zinc/70/88/42/560708842.db2.gz SGFYOZHJIMVHDD-XYJFISCASA-N 1 0 364.442 2.208 20 5 FEBDRO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000461457472 560772193 /nfs/dbraw/zinc/77/21/93/560772193.db2.gz TZHHNAZGOFPYST-HOTGVXAUSA-N 1 0 369.425 2.220 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000463451836 560815405 /nfs/dbraw/zinc/81/54/05/560815405.db2.gz QOFYOPCRPHSCLB-CQSZACIVSA-N 1 0 357.370 2.036 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466017121 560877927 /nfs/dbraw/zinc/87/79/27/560877927.db2.gz CMLIKXCSJCJPEW-CQSZACIVSA-N 1 0 374.441 2.384 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000469163254 560948773 /nfs/dbraw/zinc/94/87/73/560948773.db2.gz IEHCNACNZXFLCH-CHWSQXEVSA-N 1 0 371.459 2.097 20 5 FEBDRO CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000472449913 561026713 /nfs/dbraw/zinc/02/67/13/561026713.db2.gz KBFRKXXOCLHCFV-UHFFFAOYSA-N 1 0 356.386 2.351 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](CO)c1ccsc1 ZINC000473173838 561043413 /nfs/dbraw/zinc/04/34/13/561043413.db2.gz VQGAJPPQVJFEJI-CQSZACIVSA-N 1 0 365.411 2.317 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCN2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000474345583 561071907 /nfs/dbraw/zinc/07/19/07/561071907.db2.gz OAILGMFJQNWTAM-CQSZACIVSA-N 1 0 365.430 2.111 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000474358005 561072050 /nfs/dbraw/zinc/07/20/50/561072050.db2.gz VZJNNGDEHLIQLW-FUHWJXTLSA-N 1 0 366.414 2.177 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccccc2OC)cc1[N+](=O)[O-] ZINC000474360811 561072209 /nfs/dbraw/zinc/07/22/09/561072209.db2.gz HAPMIAXBQMLEIP-UHFFFAOYSA-N 1 0 360.366 2.445 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000474568649 561076981 /nfs/dbraw/zinc/07/69/81/561076981.db2.gz RCKODARSMFBYGQ-UHFFFAOYSA-N 1 0 367.471 2.389 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000475570086 561100107 /nfs/dbraw/zinc/10/01/07/561100107.db2.gz DPKBXAYWGXSRET-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO COC(=O)C[C@H]1CSCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000475902851 561107504 /nfs/dbraw/zinc/10/75/04/561107504.db2.gz WZAIVXHFTJXQGX-AWEZNQCLSA-N 1 0 354.428 2.344 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000476067139 561110751 /nfs/dbraw/zinc/11/07/51/561110751.db2.gz ZSFHMRALFMFCCZ-CQSZACIVSA-N 1 0 371.441 2.490 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccsc1 ZINC000476085331 561110980 /nfs/dbraw/zinc/11/09/80/561110980.db2.gz RDPNYQIBRPQSRP-ZDUSSCGKSA-N 1 0 351.432 2.203 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000531722669 562454843 /nfs/dbraw/zinc/45/48/43/562454843.db2.gz MEVVALUDEZGGCB-AWEZNQCLSA-N 1 0 369.421 2.431 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH+](C2CCCCC2)CC1 ZINC000531984588 562463146 /nfs/dbraw/zinc/46/31/46/562463146.db2.gz SSBWTTKALLWLCT-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000533694451 562516280 /nfs/dbraw/zinc/51/62/80/562516280.db2.gz XMGVUBJKABAFAX-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247926 562528462 /nfs/dbraw/zinc/52/84/62/562528462.db2.gz GCMUMAGDXOMQET-AWEZNQCLSA-N 1 0 373.457 2.080 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534254493 562528567 /nfs/dbraw/zinc/52/85/67/562528567.db2.gz XDCDPRLCNLWWJI-UHFFFAOYSA-N 1 0 373.457 2.174 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534984997 562546956 /nfs/dbraw/zinc/54/69/56/562546956.db2.gz TYROIFBJNBLOSW-UHFFFAOYSA-N 1 0 372.425 2.451 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2)CC1 ZINC000535139814 562551871 /nfs/dbraw/zinc/55/18/71/562551871.db2.gz AZAFZHJGSDDZOT-CYBMUJFWSA-N 1 0 361.398 2.127 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000537046150 562584631 /nfs/dbraw/zinc/58/46/31/562584631.db2.gz UJFVWVZZCLYBSB-CABCVRRESA-N 1 0 364.446 2.312 20 5 FEBDRO C[N@H+](CCc1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1)C1CC1 ZINC000537132728 562586236 /nfs/dbraw/zinc/58/62/36/562586236.db2.gz NZBOZUWXYLWEOW-UHFFFAOYSA-N 1 0 370.409 2.032 20 5 FEBDRO C[C@H]1CCCC[C@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000541375708 562610733 /nfs/dbraw/zinc/61/07/33/562610733.db2.gz WTTVDTJGOBATME-KBPBESRZSA-N 1 0 355.460 2.289 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000555903273 674380650 /nfs/dbraw/zinc/38/06/50/674380650.db2.gz HJKRCFGVMJYPAM-SMDDNHRTSA-N 1 0 352.391 2.118 20 5 FEBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556201711 674391912 /nfs/dbraw/zinc/39/19/12/674391912.db2.gz VPWQLIKYMLQGER-SOUVJXGZSA-N 1 0 351.451 2.417 20 5 FEBDRO CN(c1ccccc1)c1ccc(CN2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000563136672 568269995 /nfs/dbraw/zinc/26/99/95/568269995.db2.gz GMPCHPCLBXOVKD-GOSISDBHSA-N 1 0 369.469 2.437 20 5 FEBDRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570048366 568443359 /nfs/dbraw/zinc/44/33/59/568443359.db2.gz RPXFVUNTDGGPEP-ZDUSSCGKSA-N 1 0 355.398 2.200 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000570176577 568459416 /nfs/dbraw/zinc/45/94/16/568459416.db2.gz TYVGNTMKFLQAOS-UHFFFAOYSA-N 1 0 352.435 2.324 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2c(F)cccc2F)c1 ZINC000570179149 568459502 /nfs/dbraw/zinc/45/95/02/568459502.db2.gz WUVCUOAUKRIVCO-CYBMUJFWSA-N 1 0 352.337 2.445 20 5 FEBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000570474664 568478109 /nfs/dbraw/zinc/47/81/09/568478109.db2.gz MRBCVPAZTYEHJY-VQHPVUNQSA-N 1 0 365.478 2.364 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000823629596 607472536 /nfs/dbraw/zinc/47/25/36/607472536.db2.gz BEHORQWAKYRJBQ-ZFWWWQNUSA-N 1 0 369.429 2.228 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](CO)CC2CCCC2)cc1 ZINC000566232630 675196980 /nfs/dbraw/zinc/19/69/80/675196980.db2.gz RPKOADOZLAGPEI-HNNXBMFYSA-N 1 0 370.471 2.147 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809918428 674519613 /nfs/dbraw/zinc/51/96/13/674519613.db2.gz IFJHEEMVSQXOIF-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820650233 607168275 /nfs/dbraw/zinc/16/82/75/607168275.db2.gz SCQLVLFKBPFRCW-STQMWFEESA-N 1 0 374.449 2.340 20 5 FEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(Cl)Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048524793 675008916 /nfs/dbraw/zinc/00/89/16/675008916.db2.gz AHDCUKVIKNGIBT-NZEXEKPDSA-N 1 0 362.257 2.330 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC001048814285 675015493 /nfs/dbraw/zinc/01/54/93/675015493.db2.gz CIBQZLYVGGXLTG-OQMKEHIESA-N 1 0 367.808 2.035 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000564498224 675028571 /nfs/dbraw/zinc/02/85/71/675028571.db2.gz RLYCGKCWJHTVFS-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(Cl)c1 ZINC000564967186 675083042 /nfs/dbraw/zinc/08/30/42/675083042.db2.gz SWBQIDAJPRTYHZ-NEPJUHHUSA-N 1 0 373.862 2.258 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000048773033 670273343 /nfs/dbraw/zinc/27/33/43/670273343.db2.gz SNNVDWYXSHOXJP-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000077667553 670571332 /nfs/dbraw/zinc/57/13/32/670571332.db2.gz UZDDDVTVVWBBSO-NSHDSACASA-N 1 0 350.375 2.273 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000817400715 675129573 /nfs/dbraw/zinc/12/95/73/675129573.db2.gz LTHULYFBYHQXMU-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000571680073 670911057 /nfs/dbraw/zinc/91/10/57/670911057.db2.gz GLPSQRHSPIPMRR-UHFFFAOYSA-N 1 0 367.349 2.116 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572690003 671032358 /nfs/dbraw/zinc/03/23/58/671032358.db2.gz XMXKCKCFKBQVQF-ZDUSSCGKSA-N 1 0 350.419 2.229 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000572815823 671047467 /nfs/dbraw/zinc/04/74/67/671047467.db2.gz MWVCFPOFVCTPPO-CYBMUJFWSA-N 1 0 367.471 2.398 20 5 FEBDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000566107406 675181510 /nfs/dbraw/zinc/18/15/10/675181510.db2.gz JJNHEIMDMSFGCJ-KRWDZBQOSA-N 1 0 364.423 2.346 20 5 FEBDRO C[NH+](C)C[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000575450130 671313747 /nfs/dbraw/zinc/31/37/47/671313747.db2.gz QMRLZVBFVYCFTN-LLVKDONJSA-N 1 0 351.794 2.047 20 5 FEBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576024337 671338713 /nfs/dbraw/zinc/33/87/13/671338713.db2.gz WFMVZJAWUBVGMS-LOWVWBTDSA-N 1 0 350.341 2.205 20 5 FEBDRO C[C@@H](CCc1cccn1C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576150406 671347229 /nfs/dbraw/zinc/34/72/29/671347229.db2.gz QMHVUTWZPCOQBA-AWEZNQCLSA-N 1 0 365.455 2.318 20 5 FEBDRO COc1cc(OCC(=O)N(CC[NH+](C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000609187680 675913422 /nfs/dbraw/zinc/91/34/22/675913422.db2.gz GRJYTYXBIMPMTF-UHFFFAOYSA-N 1 0 353.419 2.028 20 5 FEBDRO Cn1c2ccc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc2sc1=O ZINC000577480102 671598768 /nfs/dbraw/zinc/59/87/68/671598768.db2.gz UQDSIGOVPYTDCB-UHFFFAOYSA-N 1 0 358.423 2.474 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609353343 675919928 /nfs/dbraw/zinc/91/99/28/675919928.db2.gz XVMBOETVHGYBIP-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000578988055 671704003 /nfs/dbraw/zinc/70/40/03/671704003.db2.gz FLECYWZBQBSSDX-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000579344943 671728853 /nfs/dbraw/zinc/72/88/53/671728853.db2.gz QQUSSLUMEQXGJO-CABCVRRESA-N 1 0 350.415 2.273 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000580186478 671788766 /nfs/dbraw/zinc/78/87/66/671788766.db2.gz WBAZOLSRGLKTQE-AWEZNQCLSA-N 1 0 367.471 2.452 20 5 FEBDRO COc1cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000580638731 671822567 /nfs/dbraw/zinc/82/25/67/671822567.db2.gz AMSFAJQLJLJUDW-GFCCVEGCSA-N 1 0 361.345 2.308 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000580844790 671840087 /nfs/dbraw/zinc/84/00/87/671840087.db2.gz ULRZDLPQFDQIRB-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000580980949 671852376 /nfs/dbraw/zinc/85/23/76/671852376.db2.gz JLHZRFZKMIVMJO-QWHCGFSZSA-N 1 0 351.403 2.025 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCN(CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000581188326 671871765 /nfs/dbraw/zinc/87/17/65/671871765.db2.gz WSEBUFOIFGLYPR-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133818 675955969 /nfs/dbraw/zinc/95/59/69/675955969.db2.gz IJFRZMMUTRRQSZ-DJIMGWMZSA-N 1 0 352.431 2.470 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610135190 675956289 /nfs/dbraw/zinc/95/62/89/675956289.db2.gz MEDREMDZTAJSRN-NWDGAFQWSA-N 1 0 359.423 2.227 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000125482496 672012297 /nfs/dbraw/zinc/01/22/97/672012297.db2.gz COBPMPXKAYQFBH-UHFFFAOYSA-N 1 0 361.851 2.273 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000582664819 672023328 /nfs/dbraw/zinc/02/33/28/672023328.db2.gz MKAIWMPPPPKLDY-LBPRGKRZSA-N 1 0 365.455 2.144 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000582664818 672023357 /nfs/dbraw/zinc/02/33/57/672023357.db2.gz MKAIWMPPPPKLDY-GFCCVEGCSA-N 1 0 365.455 2.144 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000582797423 672035111 /nfs/dbraw/zinc/03/51/11/672035111.db2.gz RLAGHXACTGDYBC-QWRGUYRKSA-N 1 0 358.236 2.497 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC(F)F ZINC000610514555 675977261 /nfs/dbraw/zinc/97/72/61/675977261.db2.gz VANOLYCPZYLEJE-CYBMUJFWSA-N 1 0 357.357 2.497 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000582959767 672049522 /nfs/dbraw/zinc/04/95/22/672049522.db2.gz MRVDWOKGFXQAGG-CABZTGNLSA-N 1 0 373.196 2.182 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000610719350 675991509 /nfs/dbraw/zinc/99/15/09/675991509.db2.gz JGDREONZZXAYLB-CQSZACIVSA-N 1 0 350.419 2.277 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000173903790 672355382 /nfs/dbraw/zinc/35/53/82/672355382.db2.gz DFNJWQLOKYQOIY-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000176056142 672372476 /nfs/dbraw/zinc/37/24/76/672372476.db2.gz LWNHVUPELPCSMQ-UHFFFAOYSA-N 1 0 359.423 2.197 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589236427 672516242 /nfs/dbraw/zinc/51/62/42/672516242.db2.gz MCWNAGXGRUFOTN-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000590402555 672579308 /nfs/dbraw/zinc/57/93/08/672579308.db2.gz FFIFPZWTRINXNZ-AAEUAGOBSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1SC ZINC000590445427 672583319 /nfs/dbraw/zinc/58/33/19/672583319.db2.gz LWHLAYJGNFOGCJ-MFKMUULPSA-N 1 0 351.428 2.101 20 5 FEBDRO COc1cc(CNC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591275651 672664414 /nfs/dbraw/zinc/66/44/14/672664414.db2.gz PBKPRNPSXKMAAX-GFCCVEGCSA-N 1 0 359.373 2.479 20 5 FEBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611615052 676047762 /nfs/dbraw/zinc/04/77/62/676047762.db2.gz HGNXQHBKNUXICK-LBPRGKRZSA-N 1 0 355.341 2.410 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1OC ZINC000591683419 672701073 /nfs/dbraw/zinc/70/10/73/672701073.db2.gz UZOKPYSFFZRYPI-GLKRBJQHSA-N 1 0 351.403 2.118 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000591749831 672708128 /nfs/dbraw/zinc/70/81/28/672708128.db2.gz ULZILEYKQAIPOC-CYZMBNFOSA-N 1 0 350.341 2.111 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000194346731 672757053 /nfs/dbraw/zinc/75/70/53/672757053.db2.gz ZCBGECBOMSRHHF-CHWSQXEVSA-N 1 0 373.450 2.380 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593060907 672870164 /nfs/dbraw/zinc/87/01/64/672870164.db2.gz FMKRHUJYKWOXED-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000593700945 672980699 /nfs/dbraw/zinc/98/06/99/672980699.db2.gz WGWRZQOFEIXJLW-LBPRGKRZSA-N 1 0 365.821 2.057 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593731091 672984458 /nfs/dbraw/zinc/98/44/58/672984458.db2.gz RBJGVVSLWXRFGX-XHDPSFHLSA-N 1 0 355.460 2.350 20 5 FEBDRO O=C(NCCC1CC[NH2+]CC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000593918458 673008206 /nfs/dbraw/zinc/00/82/06/673008206.db2.gz DTIYFDZTPKRHAL-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594483702 673088119 /nfs/dbraw/zinc/08/81/19/673088119.db2.gz NZTDJNVTORWAFA-HOCLYGCPSA-N 1 0 353.444 2.198 20 5 FEBDRO C[NH+](C)CC(C)(C)CNC(=S)NCCNc1ccccc1[N+](=O)[O-] ZINC000727071606 673153089 /nfs/dbraw/zinc/15/30/89/673153089.db2.gz COCYXHQBEPQIGO-UHFFFAOYSA-N 1 0 353.492 2.059 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595115576 673195863 /nfs/dbraw/zinc/19/58/63/673195863.db2.gz ISHXRULMXYDYKA-INIZCTEOSA-N 1 0 367.471 2.136 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000595116728 673196217 /nfs/dbraw/zinc/19/62/17/673196217.db2.gz ZSBJJIRUGRGFQP-GFCCVEGCSA-N 1 0 359.473 2.057 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+]C2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595507884 673259099 /nfs/dbraw/zinc/25/90/99/673259099.db2.gz CBKWBLUICMRFFP-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462576531 673264991 /nfs/dbraw/zinc/26/49/91/673264991.db2.gz UNJIADJTUQIKKR-HNNXBMFYSA-N 1 0 367.471 2.446 20 5 FEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000462882881 673287441 /nfs/dbraw/zinc/28/74/41/673287441.db2.gz IQWDFMLFIGOPBU-QWHCGFSZSA-N 1 0 368.231 2.475 20 5 FEBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000595951992 673343494 /nfs/dbraw/zinc/34/34/94/673343494.db2.gz VENJEYLNPAGDON-UHFFFAOYSA-N 1 0 359.304 2.018 20 5 FEBDRO O=c1c(Br)cn(Cc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000596070370 673355901 /nfs/dbraw/zinc/35/59/01/673355901.db2.gz DCJYGTJPMJEBSC-UHFFFAOYSA-N 1 0 364.199 2.213 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596085183 673356948 /nfs/dbraw/zinc/35/69/48/673356948.db2.gz CKYTXIFJSXPRGX-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO CN1CC[NH+](CC2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596087270 673357243 /nfs/dbraw/zinc/35/72/43/673357243.db2.gz IBWVIKRCDRMYHJ-UHFFFAOYSA-N 1 0 353.854 2.107 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC(F)F ZINC000596539691 673392403 /nfs/dbraw/zinc/39/24/03/673392403.db2.gz PVVYASQETMQXTG-CYBMUJFWSA-N 1 0 357.357 2.232 20 5 FEBDRO C[C@@H](NC(=O)NCCN1C[C@@H](C)OC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000596540341 673392564 /nfs/dbraw/zinc/39/25/64/673392564.db2.gz KVNFUDDOHNGEFP-BFHYXJOUSA-N 1 0 350.419 2.064 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000537837336 673410607 /nfs/dbraw/zinc/41/06/07/673410607.db2.gz SLRWKJKTCAIYHT-UHFFFAOYSA-N 1 0 355.441 2.196 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000596912166 673425339 /nfs/dbraw/zinc/42/53/39/673425339.db2.gz CNQBQRCENQWWQV-UHFFFAOYSA-N 1 0 351.451 2.162 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000597100209 673447748 /nfs/dbraw/zinc/44/77/48/673447748.db2.gz GPMFHBSUUZPTJV-ZANVPECISA-N 1 0 353.810 2.388 20 5 FEBDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539070331 673472616 /nfs/dbraw/zinc/47/26/16/673472616.db2.gz FDXQFUHJMUWJAP-HZPDHXFCSA-N 1 0 355.460 2.287 20 5 FEBDRO CS[C@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000539523874 673494566 /nfs/dbraw/zinc/49/45/66/673494566.db2.gz HIQFOXGNJNRODF-HOCLYGCPSA-N 1 0 367.471 2.176 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000540476414 673541529 /nfs/dbraw/zinc/54/15/29/673541529.db2.gz NMGHOXRSDQXYMF-AIANPOQGSA-N 1 0 351.447 2.024 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598670584 673596749 /nfs/dbraw/zinc/59/67/49/673596749.db2.gz VEPCTLNFHAYORO-ZBEGNZNMSA-N 1 0 353.806 2.357 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598719405 673603154 /nfs/dbraw/zinc/60/31/54/673603154.db2.gz HVYILCWXUSYNCA-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO COc1ccc(F)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000598730653 673604270 /nfs/dbraw/zinc/60/42/70/673604270.db2.gz YDVXUZRASAGLBE-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599414260 673672269 /nfs/dbraw/zinc/67/22/69/673672269.db2.gz CIQNCFHLVCAAPV-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000599543279 673689797 /nfs/dbraw/zinc/68/97/97/673689797.db2.gz OVGQYWXZWAKOLC-HNNXBMFYSA-N 1 0 350.415 2.357 20 5 FEBDRO CC1(C)CCC[C@](CO)([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000599597746 673695686 /nfs/dbraw/zinc/69/56/86/673695686.db2.gz XQDQYQDKLQCPPA-KDOFPFPSSA-N 1 0 352.431 2.255 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632063 673699716 /nfs/dbraw/zinc/69/97/16/673699716.db2.gz TXXVWDHIHCMLMK-OKXMYEFYSA-N 1 0 365.455 2.217 20 5 FEBDRO O=C(CN1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599639656 673700638 /nfs/dbraw/zinc/70/06/38/673700638.db2.gz LJODOKFAAMMGKV-MEDUHNTESA-N 1 0 353.806 2.281 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000544660600 673724011 /nfs/dbraw/zinc/72/40/11/673724011.db2.gz JWFGYLOWDBYRLB-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000742393135 673726133 /nfs/dbraw/zinc/72/61/33/673726133.db2.gz GPDKVQQCIKGKIS-UHFFFAOYSA-N 1 0 352.391 2.082 20 5 FEBDRO CS[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000545332387 673760460 /nfs/dbraw/zinc/76/04/60/673760460.db2.gz IJWZGMBCDRYLLB-HOTGVXAUSA-N 1 0 365.455 2.012 20 5 FEBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000600681826 673791220 /nfs/dbraw/zinc/79/12/20/673791220.db2.gz GTLWUVZSZXTDPS-UHFFFAOYSA-N 1 0 353.444 2.373 20 5 FEBDRO COc1cc(C[NH2+][C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000601139836 673828233 /nfs/dbraw/zinc/82/82/33/673828233.db2.gz LJEMCDDYIQQTJK-JGZJWPJOSA-N 1 0 364.320 2.405 20 5 FEBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000601139315 673828322 /nfs/dbraw/zinc/82/83/22/673828322.db2.gz AJMYSBSZXJSPHD-UHFFFAOYSA-N 1 0 352.410 2.458 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000601341642 673845181 /nfs/dbraw/zinc/84/51/81/673845181.db2.gz HTEZFLJCUCPULX-ZIAGYGMSSA-N 1 0 371.434 2.338 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601351785 673846604 /nfs/dbraw/zinc/84/66/04/673846604.db2.gz OWCQJIIZZNTDIJ-CMPLNLGQSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000601377560 673851589 /nfs/dbraw/zinc/85/15/89/673851589.db2.gz CDEQTCWFRPKEGC-ZDUSSCGKSA-N 1 0 373.500 2.317 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000601422434 673860086 /nfs/dbraw/zinc/86/00/86/673860086.db2.gz VPXUKQYCGCKJLJ-MRXNPFEDSA-N 1 0 371.434 2.149 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000601504009 673872365 /nfs/dbraw/zinc/87/23/65/673872365.db2.gz WLTOCHFCZITFPB-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO COc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602541881 673907650 /nfs/dbraw/zinc/90/76/50/673907650.db2.gz RTOKZYIPDGCHCQ-ONGXEEELSA-N 1 0 361.320 2.203 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000602540659 673907705 /nfs/dbraw/zinc/90/77/05/673907705.db2.gz MQORCDZMOBBGBG-JOYOIKCWSA-N 1 0 361.320 2.203 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576911 673908282 /nfs/dbraw/zinc/90/82/82/673908282.db2.gz LSNJDVJYYYADPG-WPRPVWTQSA-N 1 0 362.249 2.423 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000602821855 673911154 /nfs/dbraw/zinc/91/11/54/673911154.db2.gz BGVKNLYLHWXKSM-LLVKDONJSA-N 1 0 363.384 2.352 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000747373496 673924426 /nfs/dbraw/zinc/92/44/26/673924426.db2.gz FXHIYQWMRBZWEJ-WQVCFCJDSA-N 1 0 351.378 2.058 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000566494163 675219102 /nfs/dbraw/zinc/21/91/02/675219102.db2.gz LMYYSSNHBZNMGK-LBPRGKRZSA-N 1 0 359.423 2.133 20 5 FEBDRO Cc1c(C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819262358 675275019 /nfs/dbraw/zinc/27/50/19/675275019.db2.gz UWHSQRZABQYEBQ-AWEZNQCLSA-N 1 0 353.419 2.221 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000567685494 675312534 /nfs/dbraw/zinc/31/25/34/675312534.db2.gz AYPATYAKHUEIMT-ZFWWWQNUSA-N 1 0 366.805 2.309 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCOc2ncccc2Cl)c1 ZINC000567689563 675313024 /nfs/dbraw/zinc/31/30/24/675313024.db2.gz MKPLZDACSXJUPP-ZDUSSCGKSA-N 1 0 367.789 2.052 20 5 FEBDRO Cc1ccc(Br)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000567694588 675313573 /nfs/dbraw/zinc/31/35/73/675313573.db2.gz XRVXTPLEWCWWPW-CYBMUJFWSA-N 1 0 369.219 2.013 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCCC[NH+]2CCOCC2)c1F ZINC000822187411 675472461 /nfs/dbraw/zinc/47/24/61/675472461.db2.gz CTQVWUHBKNGRPN-UHFFFAOYSA-N 1 0 357.357 2.024 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000823092623 675528926 /nfs/dbraw/zinc/52/89/26/675528926.db2.gz YQLKKWQQYQTLAU-UHFFFAOYSA-N 1 0 368.821 2.374 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000823205059 675536120 /nfs/dbraw/zinc/53/61/20/675536120.db2.gz RRIQWHJJEVITBK-UHFFFAOYSA-N 1 0 368.821 2.373 20 5 FEBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000839493632 680756682 /nfs/dbraw/zinc/75/66/82/680756682.db2.gz ZBUMRROETUHREK-ZDUSSCGKSA-N 1 0 352.822 2.355 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839559426 680761653 /nfs/dbraw/zinc/76/16/53/680761653.db2.gz XKGSWKBZKXSABY-JTQLQIEISA-N 1 0 356.810 2.032 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839581963 680763652 /nfs/dbraw/zinc/76/36/52/680763652.db2.gz WABGJOAAINTCCH-QWRGUYRKSA-N 1 0 356.220 2.362 20 5 FEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)[N@H+]1CCO ZINC000839614335 680766722 /nfs/dbraw/zinc/76/67/22/680766722.db2.gz NFVQQLVLEZDWGJ-TXEJJXNPSA-N 1 0 372.263 2.244 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000763366658 680781184 /nfs/dbraw/zinc/78/11/84/680781184.db2.gz DDPOIEZCBALJIL-SNVBAGLBSA-N 1 0 363.386 2.122 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nn1 ZINC000841100398 680863277 /nfs/dbraw/zinc/86/32/77/680863277.db2.gz XNXUVXJGQCRZJH-ZDUSSCGKSA-N 1 0 350.810 2.136 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000747960340 679916356 /nfs/dbraw/zinc/91/63/56/679916356.db2.gz ZLXRISGXCZLFNL-CYBMUJFWSA-N 1 0 353.423 2.028 20 5 FEBDRO CC[N@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000831076069 679917909 /nfs/dbraw/zinc/91/79/09/679917909.db2.gz XKEZVGADWRMYJO-ZDUSSCGKSA-N 1 0 363.336 2.019 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)sc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139838 680101148 /nfs/dbraw/zinc/10/11/48/680101148.db2.gz NWPWWJYNVFMSCM-ZYUZMQFOSA-N 1 0 364.254 2.457 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000832400851 680130043 /nfs/dbraw/zinc/13/00/43/680130043.db2.gz OURRYCZRCRWRQI-ZETCQYMHSA-N 1 0 356.231 2.130 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000832690410 680165869 /nfs/dbraw/zinc/16/58/69/680165869.db2.gz GESOGFFYGIWWGA-BXKDBHETSA-N 1 0 354.204 2.133 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832761075 680173888 /nfs/dbraw/zinc/17/38/88/680173888.db2.gz HODOZFSENQMJGE-LBPRGKRZSA-N 1 0 361.851 2.351 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000981765193 680250667 /nfs/dbraw/zinc/25/06/67/680250667.db2.gz UIAUFMALVLMRQK-HZPDHXFCSA-N 1 0 363.845 2.430 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCCS3(=O)=O)CC2)cc1 ZINC000753567495 680304119 /nfs/dbraw/zinc/30/41/19/680304119.db2.gz HFZFEVVWYSHFOK-QGZVFWFLSA-N 1 0 367.471 2.121 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCCS3(=O)=O)CC2)cc1 ZINC000753567494 680304193 /nfs/dbraw/zinc/30/41/93/680304193.db2.gz HFZFEVVWYSHFOK-KRWDZBQOSA-N 1 0 367.471 2.121 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754384375 680352949 /nfs/dbraw/zinc/35/29/49/680352949.db2.gz NDLDCDSLQULKJM-CYBMUJFWSA-N 1 0 365.411 2.317 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CCO)c1cccs1 ZINC000754391963 680354039 /nfs/dbraw/zinc/35/40/39/680354039.db2.gz YXUZQCNKQHWXQR-QWHCGFSZSA-N 1 0 352.412 2.109 20 5 FEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841193309 680868464 /nfs/dbraw/zinc/86/84/64/680868464.db2.gz QYZGOZMTPKCPGW-LBPRGKRZSA-N 1 0 356.810 2.019 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767462279 680912776 /nfs/dbraw/zinc/91/27/76/680912776.db2.gz PNYPLSPXAXKOEL-MRXNPFEDSA-N 1 0 366.849 2.162 20 5 FEBDRO CC[C@H]([NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000842005274 680921390 /nfs/dbraw/zinc/92/13/90/680921390.db2.gz JIVJRWGORTVMOD-VIFPVBQESA-N 1 0 371.235 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000842486296 680950706 /nfs/dbraw/zinc/95/07/06/680950706.db2.gz WZZHSZXFMGQXCN-WDEREUQCSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842700168 680960315 /nfs/dbraw/zinc/96/03/15/680960315.db2.gz VPBFXJFNZGRURS-WDEREUQCSA-N 1 0 361.851 2.223 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852715 680961636 /nfs/dbraw/zinc/96/16/36/680961636.db2.gz JEUAZRKCWZRDRR-TUAOUCFPSA-N 1 0 361.489 2.301 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC[C@@H]1[NH3+] ZINC000842797028 680967517 /nfs/dbraw/zinc/96/75/17/680967517.db2.gz DIWMMDZOIDXQRO-PWSUYJOCSA-N 1 0 361.851 2.305 20 5 FEBDRO [NH3+]C1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000843325726 680998418 /nfs/dbraw/zinc/99/84/18/680998418.db2.gz WTWFTIXFZXTCJL-UHFFFAOYSA-N 1 0 360.183 2.496 20 5 FEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325857 681045114 /nfs/dbraw/zinc/04/51/14/681045114.db2.gz OVRMVOFFKLHSGG-NMFUWQPSSA-N 1 0 366.849 2.165 20 5 FEBDRO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)CC2)c(C)s1 ZINC001050518679 681049468 /nfs/dbraw/zinc/04/94/68/681049468.db2.gz DQRULTSVDDOCSC-HZPDHXFCSA-N 1 0 363.483 2.455 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000771505120 681057499 /nfs/dbraw/zinc/05/74/99/681057499.db2.gz WPXAKRWYJSPSJV-NSHDSACASA-N 1 0 363.443 2.450 20 5 FEBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000912600504 685404906 /nfs/dbraw/zinc/40/49/06/685404906.db2.gz VMPZFDKCCGQDMS-UHFFFAOYSA-N 1 0 368.192 2.037 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000845562862 681137619 /nfs/dbraw/zinc/13/76/19/681137619.db2.gz YGZWTCFCDBUCIQ-NSHDSACASA-N 1 0 370.812 2.178 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000845740204 681149970 /nfs/dbraw/zinc/14/99/70/681149970.db2.gz YHUYCHLSXACJBG-NSHDSACASA-N 1 0 350.371 2.396 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000846648019 681271918 /nfs/dbraw/zinc/27/19/18/681271918.db2.gz NPVGJPJTDOLRLP-UHFFFAOYSA-N 1 0 358.192 2.113 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NOC1CC[NH+](C)CC1 ZINC000846648163 681272045 /nfs/dbraw/zinc/27/20/45/681272045.db2.gz SPGMPHYIRFSDBP-UHFFFAOYSA-N 1 0 369.443 2.089 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847179157 681340517 /nfs/dbraw/zinc/34/05/17/681340517.db2.gz IDCGAGYDZLCVNE-SDDRHHMPSA-N 1 0 355.822 2.476 20 5 FEBDRO CCOc1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)ccc1[N+](=O)[O-] ZINC000933057500 681355553 /nfs/dbraw/zinc/35/55/53/681355553.db2.gz PGKRRNRMTFITOI-HNNXBMFYSA-N 1 0 350.415 2.499 20 5 FEBDRO CS[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000776486415 681395639 /nfs/dbraw/zinc/39/56/39/681395639.db2.gz SSEOIUISDLLSQO-IXDOHACOSA-N 1 0 351.472 2.140 20 5 FEBDRO COC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776809536 681438021 /nfs/dbraw/zinc/43/80/21/681438021.db2.gz FBKHRINLJLJLST-WBMJQRKESA-N 1 0 351.403 2.085 20 5 FEBDRO C[C@@H](F)CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041261 681499764 /nfs/dbraw/zinc/49/97/64/681499764.db2.gz WSUHQXAJECMENW-GFCCVEGCSA-N 1 0 353.398 2.216 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334830 681553261 /nfs/dbraw/zinc/55/32/61/681553261.db2.gz XLAAOOFNVGWABG-KBPBESRZSA-N 1 0 363.439 2.356 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848583422 681583541 /nfs/dbraw/zinc/58/35/41/681583541.db2.gz YYHIVJXGYICVCI-LBPRGKRZSA-N 1 0 357.357 2.413 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000848601700 681588581 /nfs/dbraw/zinc/58/85/81/681588581.db2.gz HHMSPTKGEWSUAH-UHFFFAOYSA-N 1 0 359.835 2.140 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000779902380 681769670 /nfs/dbraw/zinc/76/96/70/681769670.db2.gz OZVRQIXYIYWJOI-GHMZBOCLSA-N 1 0 361.851 2.318 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[S@@](=O)CC(F)(F)F)n1 ZINC000850496670 681908381 /nfs/dbraw/zinc/90/83/81/681908381.db2.gz PYASJDPJWMETPG-UTDUZKHQSA-N 1 0 368.381 2.176 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781567702 681948936 /nfs/dbraw/zinc/94/89/36/681948936.db2.gz QKZGXPIWDPSPIE-AWEZNQCLSA-N 1 0 350.375 2.036 20 5 FEBDRO O=C(CC[NH2+][C@H](CO)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782543141 682055940 /nfs/dbraw/zinc/05/59/40/682055940.db2.gz CLUPGNBCEQDENU-CQSZACIVSA-N 1 0 353.375 2.447 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000783908724 682185519 /nfs/dbraw/zinc/18/55/19/682185519.db2.gz AHVMOLRMOZCVKI-GDBMZVCRSA-N 1 0 366.801 2.311 20 5 FEBDRO Cc1ccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000783908864 682185623 /nfs/dbraw/zinc/18/56/23/682185623.db2.gz CZFSGESDLNYKIU-QGZVFWFLSA-N 1 0 364.423 2.000 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c1C ZINC000917660820 685533629 /nfs/dbraw/zinc/53/36/29/685533629.db2.gz GGBWKXVADUOECJ-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000852321192 682260123 /nfs/dbraw/zinc/26/01/23/682260123.db2.gz JUJLXRSVEAYOCH-AWEZNQCLSA-N 1 0 371.821 2.218 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1F ZINC000918360002 685538748 /nfs/dbraw/zinc/53/87/48/685538748.db2.gz PDJBRMYMDJTQQD-IYBDPMFKSA-N 1 0 371.434 2.005 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000853131696 682380627 /nfs/dbraw/zinc/38/06/27/682380627.db2.gz LQMUZYFRRZBRRH-HUUCEWRRSA-N 1 0 356.300 2.369 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000855417958 682667922 /nfs/dbraw/zinc/66/79/22/682667922.db2.gz SCIRSGCDBLCMQS-VIFPVBQESA-N 1 0 356.810 2.277 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000791382478 682739445 /nfs/dbraw/zinc/73/94/45/682739445.db2.gz ZIDVGJBHTDZRHC-NWDGAFQWSA-N 1 0 352.410 2.403 20 5 FEBDRO C[NH+]1CCN(CCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723183 682798193 /nfs/dbraw/zinc/79/81/93/682798193.db2.gz XRMUBFXMARDMJJ-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000858635979 682988504 /nfs/dbraw/zinc/98/85/04/682988504.db2.gz FNELHNDXLSJYIJ-GASCZTMLSA-N 1 0 373.862 2.177 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859356408 683092376 /nfs/dbraw/zinc/09/23/76/683092376.db2.gz XXRRSLAQOWOJCD-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[N@H+](C)C1CC1 ZINC000795819811 683095187 /nfs/dbraw/zinc/09/51/87/683095187.db2.gz UVOYAVTXBOBBGC-QMMMGPOBSA-N 1 0 365.814 2.148 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1Cl ZINC000860253645 683223079 /nfs/dbraw/zinc/22/30/79/683223079.db2.gz FIUNHIMZNVTBLS-LBPRGKRZSA-N 1 0 355.822 2.215 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860917570 683316107 /nfs/dbraw/zinc/31/61/07/683316107.db2.gz NXIZJZURDRQFIB-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000920315980 683334030 /nfs/dbraw/zinc/33/40/30/683334030.db2.gz SQSLLMADESHHCF-WDEREUQCSA-N 1 0 359.835 2.153 20 5 FEBDRO CN1CC[NH+](CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000920456877 683342931 /nfs/dbraw/zinc/34/29/31/683342931.db2.gz FAFMPLUQRLCEIX-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094204 683384454 /nfs/dbraw/zinc/38/44/54/683384454.db2.gz AMAKRRMCNPEVAD-WFASDCNBSA-N 1 0 360.439 2.386 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928446104 683453336 /nfs/dbraw/zinc/45/33/36/683453336.db2.gz VDHVHERKRCQDQE-SMDDNHRTSA-N 1 0 353.444 2.156 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921681311 683542275 /nfs/dbraw/zinc/54/22/75/683542275.db2.gz UTXZORLSZAMKMJ-HOTGVXAUSA-N 1 0 364.471 2.016 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000862793325 683634987 /nfs/dbraw/zinc/63/49/87/683634987.db2.gz MTNVIYPHPUEKBV-LBPRGKRZSA-N 1 0 352.410 2.262 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)Cn1c(C)ncc1[N+](=O)[O-])c1ccsc1 ZINC000930218402 683695193 /nfs/dbraw/zinc/69/51/93/683695193.db2.gz MQINNUOGEDOJGX-AWEZNQCLSA-N 1 0 365.459 2.361 20 5 FEBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CS(C)(=O)=O ZINC000922736642 683775181 /nfs/dbraw/zinc/77/51/81/683775181.db2.gz BVKLHIHRNUNQCD-UHFFFAOYSA-N 1 0 366.386 2.357 20 5 FEBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865158890 683943593 /nfs/dbraw/zinc/94/35/93/683943593.db2.gz GNYLANGSVCCDBZ-UHFFFAOYSA-N 1 0 370.247 2.454 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866205562 684083039 /nfs/dbraw/zinc/08/30/39/684083039.db2.gz MTCQGMDWLXZYJF-ABAIWWIYSA-N 1 0 351.378 2.441 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867228736 684229659 /nfs/dbraw/zinc/22/96/59/684229659.db2.gz AVEDMVUDATZVQZ-UHFFFAOYSA-N 1 0 368.231 2.278 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281697 684253734 /nfs/dbraw/zinc/25/37/34/684253734.db2.gz VSYMGYHGQZTXDT-APAOZMKASA-N 1 0 352.822 2.067 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)s1 ZINC000923705769 684336933 /nfs/dbraw/zinc/33/69/33/684336933.db2.gz ZEFFMRYFPRLIGR-LBPRGKRZSA-N 1 0 373.500 2.447 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000867630292 684337536 /nfs/dbraw/zinc/33/75/36/684337536.db2.gz JNDUWAKCZIDSHT-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867630274 684337564 /nfs/dbraw/zinc/33/75/64/684337564.db2.gz IZNORYBPAJNBSZ-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731347 684338546 /nfs/dbraw/zinc/33/85/46/684338546.db2.gz AUYVGCFMMACCPC-QPUJVOFHSA-N 1 0 364.299 2.341 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923732989 684341845 /nfs/dbraw/zinc/34/18/45/684341845.db2.gz ZKOIFZOPBWAGIR-CQSZACIVSA-N 1 0 359.835 2.155 20 5 FEBDRO Cc1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000868354017 684485161 /nfs/dbraw/zinc/48/51/61/684485161.db2.gz BHBJMDNPWOPNMX-MRXNPFEDSA-N 1 0 352.460 2.140 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868567631 684512489 /nfs/dbraw/zinc/51/24/89/684512489.db2.gz VXCSENRPEOHZJY-GXFFZTMASA-N 1 0 370.247 2.451 20 5 FEBDRO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762120 684583341 /nfs/dbraw/zinc/58/33/41/684583341.db2.gz HPFMFHDDROEHLU-BIMULSAOSA-N 1 0 358.236 2.199 20 5 FEBDRO CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000869240362 684596514 /nfs/dbraw/zinc/59/65/14/684596514.db2.gz ZPLVZNSRGZRQBM-LBPRGKRZSA-N 1 0 370.247 2.452 20 5 FEBDRO C[C@@H](CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000869243327 684596546 /nfs/dbraw/zinc/59/65/46/684596546.db2.gz RGFPVZYMWUMSAR-JTQLQIEISA-N 1 0 358.236 2.356 20 5 FEBDRO C[C@H](CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[NH+](C)C ZINC000869243329 684596573 /nfs/dbraw/zinc/59/65/73/684596573.db2.gz RGFPVZYMWUMSAR-SNVBAGLBSA-N 1 0 358.236 2.356 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870873105 684765226 /nfs/dbraw/zinc/76/52/26/684765226.db2.gz YYFFEYOQUIHDBF-UHFFFAOYSA-N 1 0 360.439 2.491 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCCS(C)(=O)=O ZINC000872049511 684916914 /nfs/dbraw/zinc/91/69/14/684916914.db2.gz SDHAFBKCOLTBPO-NSHDSACASA-N 1 0 362.473 2.029 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000872083034 684918520 /nfs/dbraw/zinc/91/85/20/684918520.db2.gz GGFTZDFPDQTZBL-GHMZBOCLSA-N 1 0 359.473 2.001 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872661847 684999232 /nfs/dbraw/zinc/99/92/32/684999232.db2.gz DEKDQFXSGYSFBU-ZIAGYGMSSA-N 1 0 353.444 2.069 20 5 FEBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000910861848 685130123 /nfs/dbraw/zinc/13/01/23/685130123.db2.gz YNUIMFUFXOBSOX-UHFFFAOYSA-N 1 0 355.460 2.211 20 5 FEBDRO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000877335936 686356663 /nfs/dbraw/zinc/35/66/63/686356663.db2.gz GCYCPTBRSYOAML-LBPRGKRZSA-N 1 0 353.806 2.137 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877365922 686365659 /nfs/dbraw/zinc/36/56/59/686365659.db2.gz IIOOEDCLESYBNE-CABZTGNLSA-N 1 0 363.361 2.283 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000877376733 686368532 /nfs/dbraw/zinc/36/85/32/686368532.db2.gz MWVDKYRBDNPIEA-LKFCYVNXSA-N 1 0 354.204 2.039 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000877376629 686368555 /nfs/dbraw/zinc/36/85/55/686368555.db2.gz WPZWEYNTVLKYSP-YVEFUNNKSA-N 1 0 358.423 2.400 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877392106 686371092 /nfs/dbraw/zinc/37/10/92/686371092.db2.gz FFLJEKSPQPKDHR-HOCLYGCPSA-N 1 0 353.806 2.418 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877740126 686447583 /nfs/dbraw/zinc/44/75/83/686447583.db2.gz VBNKRGVPXDOVQF-KGLIPLIRSA-N 1 0 366.439 2.332 20 5 FEBDRO CC[N@H+]1[C@H](C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000878835650 686671487 /nfs/dbraw/zinc/67/14/87/686671487.db2.gz BTBWZGFGNBFBCT-BETUJISGSA-N 1 0 352.410 2.477 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583415 686863630 /nfs/dbraw/zinc/86/36/30/686863630.db2.gz YUUONQVVUHQOKW-LRDDRELGSA-N 1 0 350.394 2.089 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882769602 687481704 /nfs/dbraw/zinc/48/17/04/687481704.db2.gz DTRIPKFSSPXRFY-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO NC(=O)C1([NH+]2CCCCC2)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000882816320 687501360 /nfs/dbraw/zinc/50/13/60/687501360.db2.gz GSAXGTOKQHOISM-UHFFFAOYSA-N 1 0 350.394 2.044 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000884954481 687973370 /nfs/dbraw/zinc/97/33/70/687973370.db2.gz FNOZMBXJRDXROK-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO CO[C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000886062664 688198895 /nfs/dbraw/zinc/19/88/95/688198895.db2.gz UHSBXGFGMKUBBA-HIFRSBDPSA-N 1 0 356.444 2.306 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899673 688336515 /nfs/dbraw/zinc/33/65/15/688336515.db2.gz QWTSMCSGTXNESJ-OAHLLOKOSA-N 1 0 373.862 2.403 20 5 FEBDRO C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889719320 688811249 /nfs/dbraw/zinc/81/12/49/688811249.db2.gz RAGUIPOAKRUZEM-UHFFFAOYSA-N 1 0 373.251 2.497 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000897221366 689990311 /nfs/dbraw/zinc/99/03/11/689990311.db2.gz LYOBDLSJHQVSKL-OLZOCXBDSA-N 1 0 357.357 2.232 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000900641424 690542383 /nfs/dbraw/zinc/54/23/83/690542383.db2.gz SYIIIRYNTINJDM-UHFFFAOYSA-N 1 0 366.219 2.464 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900954308 690592798 /nfs/dbraw/zinc/59/27/98/690592798.db2.gz JETCLXHTDOWYSH-UHFFFAOYSA-N 1 0 372.828 2.143 20 5 FEBDRO CO[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364073 690886317 /nfs/dbraw/zinc/88/63/17/690886317.db2.gz UAWKYAVMIBNVDN-IRXDYDNUSA-N 1 0 368.455 2.156 20 5 FEBDRO CCC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369061 690887770 /nfs/dbraw/zinc/88/77/70/690887770.db2.gz SFGIBFVBSJXFBI-HOTGVXAUSA-N 1 0 356.444 2.229 20 5 FEBDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000903464955 690897193 /nfs/dbraw/zinc/89/71/93/690897193.db2.gz CLPNHAVWNCOJEB-YGRLFVJLSA-N 1 0 352.822 2.449 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904405350 691025267 /nfs/dbraw/zinc/02/52/67/691025267.db2.gz LCXKYULWTGEEJH-NSHDSACASA-N 1 0 359.373 2.418 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000905477285 691123711 /nfs/dbraw/zinc/12/37/11/691123711.db2.gz DKOXNOYCANUMFQ-NVXWUHKLSA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c1C ZINC000907854465 691570798 /nfs/dbraw/zinc/57/07/98/691570798.db2.gz ZQYCYNGZWGAHGA-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000908601353 691703782 /nfs/dbraw/zinc/70/37/82/691703782.db2.gz IYJRMEBKWRYMCC-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811017 720073533 /nfs/dbraw/zinc/07/35/33/720073533.db2.gz NAMFEHMGNKLUSM-APWZRJJASA-N 1 0 360.458 2.483 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807990 720086989 /nfs/dbraw/zinc/08/69/89/720086989.db2.gz GUMQKKPBRVQHLY-KBXCAEBGSA-N 1 0 364.421 2.314 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901676 721512207 /nfs/dbraw/zinc/51/22/07/721512207.db2.gz XYBFFZRJSFCJBX-NVXWUHKLSA-N 1 0 358.373 2.471 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000028840399 539838217 /nfs/dbraw/zinc/83/82/17/539838217.db2.gz POMJMOLRJQUJEV-QGZVFWFLSA-N 1 0 357.410 2.263 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000041644058 540028983 /nfs/dbraw/zinc/02/89/83/540028983.db2.gz YWKRYRKUADGDIC-KBPBESRZSA-N 1 0 362.430 2.221 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000041817251 540034804 /nfs/dbraw/zinc/03/48/04/540034804.db2.gz KDPBBYZKNOTXHA-UHFFFAOYSA-N 1 0 370.475 2.035 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000043151406 540092153 /nfs/dbraw/zinc/09/21/53/540092153.db2.gz BONBORQCEHJQKC-HNNXBMFYSA-N 1 0 350.419 2.382 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000044505459 540128992 /nfs/dbraw/zinc/12/89/92/540128992.db2.gz WECAIFOFGKXFKY-UHFFFAOYSA-N 1 0 362.411 2.200 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000044582255 540131962 /nfs/dbraw/zinc/13/19/62/540131962.db2.gz RYRRTECLEOBIFK-CHWSQXEVSA-N 1 0 363.414 2.421 20 5 FEBDRO COc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000045083286 540202982 /nfs/dbraw/zinc/20/29/82/540202982.db2.gz XCQGJCDQBVTDTA-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000045744897 540224963 /nfs/dbraw/zinc/22/49/63/540224963.db2.gz CUSGDAJKXVQRAC-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744864 540225120 /nfs/dbraw/zinc/22/51/20/540225120.db2.gz PIURGLHEQFNKJR-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000046948018 540278856 /nfs/dbraw/zinc/27/88/56/540278856.db2.gz WYMIAWGTTAZDCP-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000048805225 540374737 /nfs/dbraw/zinc/37/47/37/540374737.db2.gz YRYDIANLVBAQAE-UHFFFAOYSA-N 1 0 373.413 2.247 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052247558 540460160 /nfs/dbraw/zinc/46/01/60/540460160.db2.gz QDIOEXPYDHHMJM-ZDUSSCGKSA-N 1 0 370.475 2.166 20 5 FEBDRO Cc1nn(C)c(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000051914697 540447843 /nfs/dbraw/zinc/44/78/43/540447843.db2.gz DCHOTQBNEFJQIV-QGZVFWFLSA-N 1 0 372.473 2.427 20 5 FEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCN(c2cc[nH+]cc2)CC1 ZINC000052609755 540477579 /nfs/dbraw/zinc/47/75/79/540477579.db2.gz MJSGNZIZGSUXNA-UHFFFAOYSA-N 1 0 351.366 2.434 20 5 FEBDRO O=C(CN1CC[NH+](CC2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053237012 540519850 /nfs/dbraw/zinc/51/98/50/540519850.db2.gz HUDQPSXEFIAGRU-UHFFFAOYSA-N 1 0 352.822 2.214 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000056890228 540753910 /nfs/dbraw/zinc/75/39/10/540753910.db2.gz FNGMMRVNCAXSCD-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374104 541108636 /nfs/dbraw/zinc/10/86/36/541108636.db2.gz KMCJRJAZBLSACW-HNNXBMFYSA-N 1 0 355.398 2.091 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065741947 541256912 /nfs/dbraw/zinc/25/69/12/541256912.db2.gz WTTLTZZJQILZKK-UHFFFAOYSA-N 1 0 371.441 2.271 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000065836415 541265239 /nfs/dbraw/zinc/26/52/39/541265239.db2.gz BCLYUEBMXIPHAD-UHFFFAOYSA-N 1 0 357.414 2.012 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000067160281 541427065 /nfs/dbraw/zinc/42/70/65/541427065.db2.gz ZFMYVUQFAFTVHE-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068240001 541567232 /nfs/dbraw/zinc/56/72/32/541567232.db2.gz AAZDGNCORZNSKA-ZDUSSCGKSA-N 1 0 367.402 2.068 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000071826305 541773772 /nfs/dbraw/zinc/77/37/72/541773772.db2.gz UHVKHJWXRQPIGE-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072808052 541869282 /nfs/dbraw/zinc/86/92/82/541869282.db2.gz PYYYJXYZFUJNQA-HOCLYGCPSA-N 1 0 363.462 2.213 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072823635 541873589 /nfs/dbraw/zinc/87/35/89/541873589.db2.gz UDBBGTWPSXFUEG-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072834606 541876950 /nfs/dbraw/zinc/87/69/50/541876950.db2.gz GSDCRPZTBBKXJO-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000073858883 542008113 /nfs/dbraw/zinc/00/81/13/542008113.db2.gz ZYKQCQZXAARLCV-UHFFFAOYSA-N 1 0 369.368 2.200 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000074136757 542041660 /nfs/dbraw/zinc/04/16/60/542041660.db2.gz MFFUNAPEHNVNOA-KRWDZBQOSA-N 1 0 359.430 2.487 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000074798308 542122369 /nfs/dbraw/zinc/12/23/69/542122369.db2.gz ZKBPRBDNKYZXOH-KRWDZBQOSA-N 1 0 367.409 2.346 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000075604326 542192413 /nfs/dbraw/zinc/19/24/13/542192413.db2.gz ICLDYUYQEKDVPS-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000076505489 542286622 /nfs/dbraw/zinc/28/66/22/542286622.db2.gz OOJIHMZXXARCNR-UHFFFAOYSA-N 1 0 362.430 2.080 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000079709680 542538184 /nfs/dbraw/zinc/53/81/84/542538184.db2.gz ILVQLWMDQJOWBY-NVXWUHKLSA-N 1 0 371.441 2.351 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000080611649 542597039 /nfs/dbraw/zinc/59/70/39/542597039.db2.gz NULAFQUSAHJXIU-MRXNPFEDSA-N 1 0 362.474 2.205 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093754130 542939578 /nfs/dbraw/zinc/93/95/78/542939578.db2.gz ZEPYYQVRGHQTFX-OAHLLOKOSA-N 1 0 374.441 2.480 20 5 FEBDRO C[NH+](C)[C@H]1CC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000094000871 542947856 /nfs/dbraw/zinc/94/78/56/542947856.db2.gz HMQIWLBTZZSRKY-CVEARBPZSA-N 1 0 360.458 2.410 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109980980 543345465 /nfs/dbraw/zinc/34/54/65/543345465.db2.gz BUZSUCQDOHSHAH-HNNXBMFYSA-N 1 0 351.451 2.261 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000111294286 543393484 /nfs/dbraw/zinc/39/34/84/543393484.db2.gz QFSUOAOROIFOIZ-CQSZACIVSA-N 1 0 360.414 2.010 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000112918600 543468018 /nfs/dbraw/zinc/46/80/18/543468018.db2.gz FTUKJEZHRNJISM-UHFFFAOYSA-N 1 0 351.451 2.152 20 5 FEBDRO CCC[N@@H+]1CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000114190088 543506890 /nfs/dbraw/zinc/50/68/90/543506890.db2.gz MXWCRSWTPXHBOB-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000115416241 543566294 /nfs/dbraw/zinc/56/62/94/543566294.db2.gz CKJRBHYKIIWZEP-UHFFFAOYSA-N 1 0 363.393 2.007 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000116126993 543599671 /nfs/dbraw/zinc/59/96/71/543599671.db2.gz LXOOBUGHLCTOSE-AWEZNQCLSA-N 1 0 353.467 2.281 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000124666915 543835895 /nfs/dbraw/zinc/83/58/95/543835895.db2.gz CHYVQKBAHWVQJZ-CXAGYDPISA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000125142326 543863390 /nfs/dbraw/zinc/86/33/90/543863390.db2.gz VEQZRNVDLIEDJZ-DTWKUNHWSA-N 1 0 367.349 2.114 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000126181010 543922497 /nfs/dbraw/zinc/92/24/97/543922497.db2.gz IIDPGGJIUGJTTP-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000127929700 544021604 /nfs/dbraw/zinc/02/16/04/544021604.db2.gz SOXQIHFNTPZJBL-ZIAGYGMSSA-N 1 0 374.441 2.234 20 5 FEBDRO Cc1cc([C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CCO2)ccc1F ZINC000128611396 544062536 /nfs/dbraw/zinc/06/25/36/544062536.db2.gz RZXSSVDTDGVIFJ-QGZVFWFLSA-N 1 0 361.373 2.278 20 5 FEBDRO C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830168 544075677 /nfs/dbraw/zinc/07/56/77/544075677.db2.gz MIZILFIHSUADMV-CHWSQXEVSA-N 1 0 352.410 2.477 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1OC(F)F ZINC000130474273 544152487 /nfs/dbraw/zinc/15/24/87/544152487.db2.gz FQOZOKMDCZVHJN-VIFPVBQESA-N 1 0 359.329 2.077 20 5 FEBDRO CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000131379352 544188262 /nfs/dbraw/zinc/18/82/62/544188262.db2.gz DYCYAXRDBAUVRU-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1Cl ZINC000131678715 544201092 /nfs/dbraw/zinc/20/10/92/544201092.db2.gz VRYXYAHNQXCINN-ZDUSSCGKSA-N 1 0 355.822 2.215 20 5 FEBDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000133422785 544269330 /nfs/dbraw/zinc/26/93/30/544269330.db2.gz LDUCCFWCNRKHFK-LLVKDONJSA-N 1 0 356.220 2.110 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134372005 544305615 /nfs/dbraw/zinc/30/56/15/544305615.db2.gz DHHXOVWYPMJOQB-OAHLLOKOSA-N 1 0 353.419 2.271 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000134866674 544324730 /nfs/dbraw/zinc/32/47/30/544324730.db2.gz IEZVHWFBBPKXSR-OAHLLOKOSA-N 1 0 366.849 2.100 20 5 FEBDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000135673307 544358880 /nfs/dbraw/zinc/35/88/80/544358880.db2.gz KWCPDQIVOKCIKP-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139355194 544402129 /nfs/dbraw/zinc/40/21/29/544402129.db2.gz UJDYYDSJBWFOEY-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137064339 544383851 /nfs/dbraw/zinc/38/38/51/544383851.db2.gz UKXJIZGLVCDXAM-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000151169214 544512765 /nfs/dbraw/zinc/51/27/65/544512765.db2.gz QCDVQPQMTCYAHY-OEYIWLLWSA-N 1 0 363.414 2.478 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000247517142 549348806 /nfs/dbraw/zinc/34/88/06/549348806.db2.gz NAOCYMSDVUHLMT-BRWVUGGUSA-N 1 0 366.462 2.212 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153286526 544755841 /nfs/dbraw/zinc/75/58/41/544755841.db2.gz RVVDZFJICWTNRB-OLZOCXBDSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000153844572 544831719 /nfs/dbraw/zinc/83/17/19/544831719.db2.gz KHYQOSKWIAOGIX-HNNXBMFYSA-N 1 0 350.419 2.118 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)C1CC1 ZINC000179981309 327666985 /nfs/dbraw/zinc/66/69/85/327666985.db2.gz NCHQWQXELVCDAW-DLBZAZTESA-N 1 0 362.426 2.428 20 5 FEBDRO C[C@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021700 327757454 /nfs/dbraw/zinc/75/74/54/327757454.db2.gz ZJQTVGIYYOCFBQ-LRDDRELGSA-N 1 0 362.430 2.336 20 5 FEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182324444 327770438 /nfs/dbraw/zinc/77/04/38/327770438.db2.gz NICADHBLAIDCAB-UHFFFAOYSA-N 1 0 368.865 2.138 20 5 FEBDRO COc1cc(F)c([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000183437948 327817967 /nfs/dbraw/zinc/81/79/67/327817967.db2.gz XLDIDRHGAYXBLE-LLVKDONJSA-N 1 0 365.361 2.264 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183726791 327832754 /nfs/dbraw/zinc/83/27/54/327832754.db2.gz GRYXCCOCTHESDR-CVEARBPZSA-N 1 0 352.431 2.255 20 5 FEBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185686798 327928002 /nfs/dbraw/zinc/92/80/02/327928002.db2.gz GNTFGFBDGWBQOA-UHFFFAOYSA-N 1 0 366.466 2.135 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193917719 328401926 /nfs/dbraw/zinc/40/19/26/328401926.db2.gz JYGKCIOBDGFIDB-UHFFFAOYSA-N 1 0 371.459 2.145 20 5 FEBDRO COc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000194857598 328444075 /nfs/dbraw/zinc/44/40/75/328444075.db2.gz GIZMKZJVOACEOX-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000194876936 328444859 /nfs/dbraw/zinc/44/48/59/328444859.db2.gz QEIPBCBPDVNPGF-DOTOQJQBSA-N 1 0 361.442 2.401 20 5 FEBDRO CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000048693264 324671027 /nfs/dbraw/zinc/67/10/27/324671027.db2.gz SPSDAFPKEWVIQF-UHFFFAOYSA-N 1 0 370.837 2.422 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000237248623 328509822 /nfs/dbraw/zinc/50/98/22/328509822.db2.gz ZLPNHWBJZJGXKE-MRXNPFEDSA-N 1 0 355.460 2.326 20 5 FEBDRO COc1ccc(CSCC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000078428072 325045593 /nfs/dbraw/zinc/04/55/93/325045593.db2.gz SUKCFRGFOQACAL-UHFFFAOYSA-N 1 0 367.471 2.439 20 5 FEBDRO C[NH2+]CC1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000237327892 328512637 /nfs/dbraw/zinc/51/26/37/328512637.db2.gz DYYXIZXQUOMBHX-UHFFFAOYSA-N 1 0 367.471 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461263 325091875 /nfs/dbraw/zinc/09/18/75/325091875.db2.gz YNYISEFPSMYXRS-PBHICJAKSA-N 1 0 360.458 2.146 20 5 FEBDRO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551503 325362816 /nfs/dbraw/zinc/36/28/16/325362816.db2.gz QMWWXTLJJBJKNE-CANCMXDXSA-N 1 0 363.439 2.187 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000103112961 325507096 /nfs/dbraw/zinc/50/70/96/325507096.db2.gz GUTZJUYCRJMCFJ-UHFFFAOYSA-N 1 0 373.457 2.389 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103200963 325510052 /nfs/dbraw/zinc/51/00/52/325510052.db2.gz UIXJHLLWTSRMCJ-CQSZACIVSA-N 1 0 362.430 2.424 20 5 FEBDRO CCC[NH+]1CCC(N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000109786913 325677377 /nfs/dbraw/zinc/67/73/77/325677377.db2.gz PMNUAWCGVKPSOV-UHFFFAOYSA-N 1 0 360.458 2.290 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116588398 326026216 /nfs/dbraw/zinc/02/62/16/326026216.db2.gz RTWKUDVTHZFTAZ-HNNXBMFYSA-N 1 0 364.446 2.324 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116731322 326031634 /nfs/dbraw/zinc/03/16/34/326031634.db2.gz WANVODXIVWYRKR-AWEZNQCLSA-N 1 0 355.822 2.474 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000118971352 326114288 /nfs/dbraw/zinc/11/42/88/326114288.db2.gz DBFBTDSHGWOCKO-UHFFFAOYSA-N 1 0 368.865 2.234 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000119408229 326159294 /nfs/dbraw/zinc/15/92/94/326159294.db2.gz PHNHQPMXZONMJO-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000120866498 326294799 /nfs/dbraw/zinc/29/47/99/326294799.db2.gz LBMMXFDBSVWLQP-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000121097394 326313209 /nfs/dbraw/zinc/31/32/09/326313209.db2.gz DTDQFEFCAVLDJE-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000122345017 326393319 /nfs/dbraw/zinc/39/33/19/326393319.db2.gz ZTOIUTLYRQMEHM-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000128040538 326516887 /nfs/dbraw/zinc/51/68/87/326516887.db2.gz NOIXOXONFJPUIS-ZDUSSCGKSA-N 1 0 363.439 2.444 20 5 FEBDRO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000128648972 326527516 /nfs/dbraw/zinc/52/75/16/326527516.db2.gz RXHPZDYJRFUQQV-DLBZAZTESA-N 1 0 369.425 2.454 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131634814 326578573 /nfs/dbraw/zinc/57/85/73/326578573.db2.gz ZSFYLPIQLYBZKR-HNNXBMFYSA-N 1 0 350.415 2.491 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000154426061 326759771 /nfs/dbraw/zinc/75/97/71/326759771.db2.gz IQDLIJPQNCWFRF-ZWKOTPCHSA-N 1 0 350.415 2.288 20 5 FEBDRO CCOc1cc(C(=O)N(CC[NH+](C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000156761925 326843148 /nfs/dbraw/zinc/84/31/48/326843148.db2.gz RTHROAKMOPNLNY-UHFFFAOYSA-N 1 0 353.419 2.414 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158190295 326888033 /nfs/dbraw/zinc/88/80/33/326888033.db2.gz KOUVQLWGVIVPNF-BZNIZROVSA-N 1 0 353.806 2.228 20 5 FEBDRO CCOc1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC ZINC000161915162 327012215 /nfs/dbraw/zinc/01/22/15/327012215.db2.gz BZDNENKOWMXMLL-CYBMUJFWSA-N 1 0 353.419 2.448 20 5 FEBDRO CSCC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000161977832 327014109 /nfs/dbraw/zinc/01/41/09/327014109.db2.gz WPVDRHUBRLBRMI-HNNXBMFYSA-N 1 0 353.444 2.045 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000162898135 327037459 /nfs/dbraw/zinc/03/74/59/327037459.db2.gz GIEZYQMVAJVYJM-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO C[NH+](C)CC[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000162959370 327038785 /nfs/dbraw/zinc/03/87/85/327038785.db2.gz GOTFUDGOTHEGIW-MRXNPFEDSA-N 1 0 371.503 2.423 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000162968571 327039118 /nfs/dbraw/zinc/03/91/18/327039118.db2.gz NGSSPUBOBTXOQA-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000164729655 327073716 /nfs/dbraw/zinc/07/37/16/327073716.db2.gz ZZEGJZQNGGVVJJ-UHFFFAOYSA-N 1 0 359.430 2.313 20 5 FEBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000165852312 327079515 /nfs/dbraw/zinc/07/95/15/327079515.db2.gz GICDMTFUEVELPD-ZJUUUORDSA-N 1 0 356.220 2.475 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000166284051 327081264 /nfs/dbraw/zinc/08/12/64/327081264.db2.gz ZPKXYKOUEJXXNI-UHFFFAOYSA-N 1 0 373.450 2.476 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000172558357 327208276 /nfs/dbraw/zinc/20/82/76/327208276.db2.gz COXVTXGWCLCYEN-HNNXBMFYSA-N 1 0 350.419 2.085 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000172683909 327214394 /nfs/dbraw/zinc/21/43/94/327214394.db2.gz NUTRKTIXJRMTJV-MLGOLLRUSA-N 1 0 363.443 2.052 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000172706749 327214816 /nfs/dbraw/zinc/21/48/16/327214816.db2.gz MMDAZDQJTMXLOJ-CYBMUJFWSA-N 1 0 362.386 2.451 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000173341809 327250840 /nfs/dbraw/zinc/25/08/40/327250840.db2.gz RBAHWRFUEPASPO-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173355959 327251641 /nfs/dbraw/zinc/25/16/41/327251641.db2.gz PVEMGHKUGACQIC-AWEZNQCLSA-N 1 0 363.439 2.365 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173626346 327272175 /nfs/dbraw/zinc/27/21/75/327272175.db2.gz SUWDXIGJUWJCCM-AWEZNQCLSA-N 1 0 353.444 2.091 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173626370 327272201 /nfs/dbraw/zinc/27/22/01/327272201.db2.gz IYQAFCOVXMVYRF-CQSZACIVSA-N 1 0 353.444 2.091 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173918689 327294397 /nfs/dbraw/zinc/29/43/97/327294397.db2.gz KTMQUAPNYVJYDS-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173921981 327294599 /nfs/dbraw/zinc/29/45/99/327294599.db2.gz YIUDHLZOXKRWDA-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO CCc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000174227901 327314193 /nfs/dbraw/zinc/31/41/93/327314193.db2.gz SORPVVVJMCHLNB-GOSISDBHSA-N 1 0 362.474 2.159 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1OC ZINC000174537878 327333412 /nfs/dbraw/zinc/33/34/12/327333412.db2.gz JDYOUIMWEMDGCN-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772784 327350012 /nfs/dbraw/zinc/35/00/12/327350012.db2.gz ZTZABZHEAQMNDO-PBHICJAKSA-N 1 0 360.458 2.146 20 5 FEBDRO Cc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000175279867 327384390 /nfs/dbraw/zinc/38/43/90/327384390.db2.gz LUJZUNZEQOAVCO-AWEZNQCLSA-N 1 0 364.446 2.460 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000175397919 327390924 /nfs/dbraw/zinc/39/09/24/327390924.db2.gz OSCRNLDQKSACHD-OAHLLOKOSA-N 1 0 355.460 2.262 20 5 FEBDRO CSc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000175856070 327418056 /nfs/dbraw/zinc/41/80/56/327418056.db2.gz KKGNAHCNXXPHCE-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261902421 328828337 /nfs/dbraw/zinc/82/83/37/328828337.db2.gz WLPHHXFSJPINTQ-PHIMTYICSA-N 1 0 368.231 2.429 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000262312878 328858466 /nfs/dbraw/zinc/85/84/66/328858466.db2.gz DAXHOFIXGCBXRQ-HNNXBMFYSA-N 1 0 369.425 2.357 20 5 FEBDRO [NH3+]Cc1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc(C(F)(F)F)c1 ZINC000262977350 328905378 /nfs/dbraw/zinc/90/53/78/328905378.db2.gz MMTRVXZVCDGSGQ-UHFFFAOYSA-N 1 0 357.292 2.298 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000264273736 329006620 /nfs/dbraw/zinc/00/66/20/329006620.db2.gz MCYMHWIOGMQVSH-UHFFFAOYSA-N 1 0 373.413 2.247 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000264379641 329016434 /nfs/dbraw/zinc/01/64/34/329016434.db2.gz FHQBCHZYOWNEFG-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cn3)c2)C1 ZINC000264520328 329032234 /nfs/dbraw/zinc/03/22/34/329032234.db2.gz ZWYUPHKXLGTSOB-INIZCTEOSA-N 1 0 369.425 2.299 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000264543460 329034354 /nfs/dbraw/zinc/03/43/54/329034354.db2.gz BFMRDCOPFZJTBY-HNNXBMFYSA-N 1 0 353.444 2.234 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264651914 329044558 /nfs/dbraw/zinc/04/45/58/329044558.db2.gz XHHDIDKVIPZDCK-INIZCTEOSA-N 1 0 362.430 2.373 20 5 FEBDRO Cn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265479713 329131266 /nfs/dbraw/zinc/13/12/66/329131266.db2.gz SCRRIXLXNSKNSD-VIFPVBQESA-N 1 0 364.387 2.250 20 5 FEBDRO COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc([N+](=O)[O-])c1OC ZINC000265915855 329172301 /nfs/dbraw/zinc/17/23/01/329172301.db2.gz ANYGXGDBZLZPPS-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000265952223 329175906 /nfs/dbraw/zinc/17/59/06/329175906.db2.gz MUCVSORYEFNQCK-CYBMUJFWSA-N 1 0 353.419 2.318 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960581 329176898 /nfs/dbraw/zinc/17/68/98/329176898.db2.gz QBXKDJZIQWHGCK-QWHCGFSZSA-N 1 0 365.430 2.462 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266095523 329189738 /nfs/dbraw/zinc/18/97/38/329189738.db2.gz FEDIDSLFCKKMDI-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000266103888 329190626 /nfs/dbraw/zinc/19/06/26/329190626.db2.gz UCVGIIXYCQXCBA-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000266648340 329245774 /nfs/dbraw/zinc/24/57/74/329245774.db2.gz NDAPOBXNQYEFEK-CQSZACIVSA-N 1 0 373.413 2.151 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266701906 329250870 /nfs/dbraw/zinc/25/08/70/329250870.db2.gz GPKMTTCMRJBJOK-OAHLLOKOSA-N 1 0 362.430 2.242 20 5 FEBDRO O=C(CN1CCC[C@H]1CO)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266729264 329253689 /nfs/dbraw/zinc/25/36/89/329253689.db2.gz KGPALNUFPPBEFQ-ZDUSSCGKSA-N 1 0 362.411 2.114 20 5 FEBDRO CCOC(=O)c1ccnc(NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267029737 329284829 /nfs/dbraw/zinc/28/48/29/329284829.db2.gz AVFLEEITUSKWLI-OAHLLOKOSA-N 1 0 354.432 2.016 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000267265032 329308328 /nfs/dbraw/zinc/30/83/28/329308328.db2.gz OUTAVLIOPJEHAE-UHFFFAOYSA-N 1 0 358.354 2.075 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1[NH3+] ZINC000269234903 329498921 /nfs/dbraw/zinc/49/89/21/329498921.db2.gz BGXCXYJWVSMTBT-OIBJUYFYSA-N 1 0 360.183 2.306 20 5 FEBDRO CCOC(=O)C1(O)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272848162 329817497 /nfs/dbraw/zinc/81/74/97/329817497.db2.gz OEGKRQOHLPBJCE-UHFFFAOYSA-N 1 0 359.382 2.346 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273103337 329837420 /nfs/dbraw/zinc/83/74/20/329837420.db2.gz FIJNXWRXNWZBIE-CYBMUJFWSA-N 1 0 354.403 2.046 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000273409590 329862693 /nfs/dbraw/zinc/86/26/93/329862693.db2.gz IKXQVCJXFFONIO-ZDUSSCGKSA-N 1 0 355.460 2.087 20 5 FEBDRO C[NH+](C)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])c1ccsc1 ZINC000273533036 329872277 /nfs/dbraw/zinc/87/22/77/329872277.db2.gz ZGTFZHHSVLDMQY-GFCCVEGCSA-N 1 0 370.456 2.019 20 5 FEBDRO CS[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275116853 330012183 /nfs/dbraw/zinc/01/21/83/330012183.db2.gz MJGUIPSDMXJXAB-ZBFHGGJFSA-N 1 0 365.455 2.012 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc1 ZINC000276305672 330139033 /nfs/dbraw/zinc/13/90/33/330139033.db2.gz WIZYKXFFBUVSHW-UHFFFAOYSA-N 1 0 360.389 2.350 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000276475271 330156025 /nfs/dbraw/zinc/15/60/25/330156025.db2.gz PXJTZXXPRDVTFN-UHFFFAOYSA-N 1 0 374.445 2.370 20 5 FEBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367059170 330212288 /nfs/dbraw/zinc/21/22/88/330212288.db2.gz CCVGQOKRQJLMJV-MLGOLLRUSA-N 1 0 354.401 2.335 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C[NH3+])C(C)C)c1ccccc1[N+](=O)[O-] ZINC000433164723 330274279 /nfs/dbraw/zinc/27/42/79/330274279.db2.gz ACKRZMNMDRPZJK-CABCVRRESA-N 1 0 365.430 2.325 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000804778590 674300910 /nfs/dbraw/zinc/30/09/10/674300910.db2.gz WRWHEYYWHQRPBD-LBPRGKRZSA-N 1 0 352.410 2.404 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000156000031 545590676 /nfs/dbraw/zinc/59/06/76/545590676.db2.gz RLNDTVULDCYLCF-CXAGYDPISA-N 1 0 372.425 2.009 20 5 FEBDRO COC(=O)c1cnc(NC[C@@H](c2ccccc2OC)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000478288668 561163671 /nfs/dbraw/zinc/16/36/71/561163671.db2.gz KQYYSNXFMRHHGU-HNNXBMFYSA-N 1 0 374.397 2.500 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160161860 546013712 /nfs/dbraw/zinc/01/37/12/546013712.db2.gz DDHJOIQMSLVTRX-FUHWJXTLSA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160218864 546018510 /nfs/dbraw/zinc/01/85/10/546018510.db2.gz ISJMHUJCFFQIJO-UKRRQHHQSA-N 1 0 367.471 2.038 20 5 FEBDRO CCC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000161218048 546110951 /nfs/dbraw/zinc/11/09/51/546110951.db2.gz UNZJWZBJXUWGRC-KRWDZBQOSA-N 1 0 364.446 2.237 20 5 FEBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162086453 546136319 /nfs/dbraw/zinc/13/63/19/546136319.db2.gz IHADVXQUSKJWTL-QWRGUYRKSA-N 1 0 356.220 2.286 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000480011421 561201243 /nfs/dbraw/zinc/20/12/43/561201243.db2.gz GQHCRLYCEHXFHE-GOSISDBHSA-N 1 0 359.430 2.169 20 5 FEBDRO COc1cccc([C@H](C)[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000176230612 546421817 /nfs/dbraw/zinc/42/18/17/546421817.db2.gz RSMNMWGDVYFHLG-HNNXBMFYSA-N 1 0 359.430 2.179 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000176285212 546427239 /nfs/dbraw/zinc/42/72/39/546427239.db2.gz WANNZTXJTOGVTH-ZDUSSCGKSA-N 1 0 353.423 2.123 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C[NH+](C)C)ccn1 ZINC000176420906 546443442 /nfs/dbraw/zinc/44/34/42/546443442.db2.gz LBPYEGYZPHFHFN-UHFFFAOYSA-N 1 0 364.427 2.469 20 5 FEBDRO C[N@H+](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CC1 ZINC000480366545 561207878 /nfs/dbraw/zinc/20/78/78/561207878.db2.gz MNCNKUUKMPMCFR-UHFFFAOYSA-N 1 0 363.805 2.300 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000176880740 546500363 /nfs/dbraw/zinc/50/03/63/546500363.db2.gz RGDVVXOHPDLVIC-AWEZNQCLSA-N 1 0 357.838 2.264 20 5 FEBDRO CCc1ccc([C@@H](C)[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000178006885 546722015 /nfs/dbraw/zinc/72/20/15/546722015.db2.gz CNAPKGODWHCIDN-GFCCVEGCSA-N 1 0 367.427 2.379 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000179994230 547036133 /nfs/dbraw/zinc/03/61/33/547036133.db2.gz LWXCLRNIGVGBOF-ZDUSSCGKSA-N 1 0 352.341 2.099 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000180407881 547102572 /nfs/dbraw/zinc/10/25/72/547102572.db2.gz DZBJFJTWFAFTIR-GFCCVEGCSA-N 1 0 357.366 2.291 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1 ZINC000180498078 547118907 /nfs/dbraw/zinc/11/89/07/547118907.db2.gz CYNUKVXANJCWHV-INIZCTEOSA-N 1 0 357.414 2.385 20 5 FEBDRO CCc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+](C)C)cc1 ZINC000180497442 547119394 /nfs/dbraw/zinc/11/93/94/547119394.db2.gz KOOQUIOEUXUWGE-INIZCTEOSA-N 1 0 357.414 2.167 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccsc1 ZINC000180528811 547125291 /nfs/dbraw/zinc/12/52/91/547125291.db2.gz RAJCCKNJRDZMBW-AWEZNQCLSA-N 1 0 363.443 2.446 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000180960355 547219653 /nfs/dbraw/zinc/21/96/53/547219653.db2.gz ANXPYCLKDGMPHP-IUODEOHRSA-N 1 0 373.413 2.183 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000181512322 547326946 /nfs/dbraw/zinc/32/69/46/547326946.db2.gz FUNQWDVHKNUCBM-OAHLLOKOSA-N 1 0 365.430 2.463 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000181635137 547349551 /nfs/dbraw/zinc/34/95/51/547349551.db2.gz APYJIUSOHIDRDM-RISCZKNCSA-N 1 0 370.452 2.142 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181905583 547400849 /nfs/dbraw/zinc/40/08/49/547400849.db2.gz XCCRRFWXOHLDFA-RRQGHBQHSA-N 1 0 352.431 2.470 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181919431 547404827 /nfs/dbraw/zinc/40/48/27/547404827.db2.gz LDQFDIKEAFYLJX-OAHLLOKOSA-N 1 0 369.487 2.175 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@H](c2ccsc2)C1 ZINC000181999933 547419558 /nfs/dbraw/zinc/41/95/58/547419558.db2.gz XARMNYXRFJSCCW-PBHICJAKSA-N 1 0 364.423 2.470 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@H](CC(N)=O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182019251 547423795 /nfs/dbraw/zinc/42/37/95/547423795.db2.gz RNVUTJCGTQEAPM-HNNXBMFYSA-N 1 0 365.430 2.396 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000182367046 547479661 /nfs/dbraw/zinc/47/96/61/547479661.db2.gz SGWWRGLCQVPLET-BBRMVZONSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876676 547564594 /nfs/dbraw/zinc/56/45/94/547564594.db2.gz WGHMOKOMRKWMOM-PXAZEXFGSA-N 1 0 371.397 2.045 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000182947881 547576809 /nfs/dbraw/zinc/57/68/09/547576809.db2.gz WCIRTQSUQAONDK-ZDUSSCGKSA-N 1 0 371.434 2.149 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182991806 547584556 /nfs/dbraw/zinc/58/45/56/547584556.db2.gz TVSDQMGOMXJGMP-LBPRGKRZSA-N 1 0 359.423 2.005 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204071 547619822 /nfs/dbraw/zinc/61/98/22/547619822.db2.gz MGOHDDHIHXABQA-GHMZBOCLSA-N 1 0 360.357 2.450 20 5 FEBDRO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000183756638 547713935 /nfs/dbraw/zinc/71/39/35/547713935.db2.gz DWAWMMGRTBIFFI-GOSISDBHSA-N 1 0 370.453 2.353 20 5 FEBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183911718 547739165 /nfs/dbraw/zinc/73/91/65/547739165.db2.gz BYKJQOQROWKJOF-KRWDZBQOSA-N 1 0 371.441 2.458 20 5 FEBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184306439 547804595 /nfs/dbraw/zinc/80/45/95/547804595.db2.gz CEPOQBQHCSBRFT-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000184413011 547823385 /nfs/dbraw/zinc/82/33/85/547823385.db2.gz CDRSJBSJIPLMCW-CXAGYDPISA-N 1 0 364.446 2.044 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000485101157 561312568 /nfs/dbraw/zinc/31/25/68/561312568.db2.gz GWKDBIFAFACRNO-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000184791682 547880009 /nfs/dbraw/zinc/88/00/09/547880009.db2.gz TWADEPDCQSLHFO-MRXNPFEDSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000184844649 547885965 /nfs/dbraw/zinc/88/59/65/547885965.db2.gz YQLVPYXAYKCITP-KRWDZBQOSA-N 1 0 373.457 2.373 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000185364550 547975344 /nfs/dbraw/zinc/97/53/44/547975344.db2.gz KYYANMSQJUDTQQ-UHFFFAOYSA-N 1 0 366.809 2.328 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000185692779 548020183 /nfs/dbraw/zinc/02/01/83/548020183.db2.gz FAYGBYXPSAGOQG-UHFFFAOYSA-N 1 0 373.450 2.395 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000186903519 548215160 /nfs/dbraw/zinc/21/51/60/548215160.db2.gz ROSGKEJUOYOEHA-INIZCTEOSA-N 1 0 372.425 2.378 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186946947 548226958 /nfs/dbraw/zinc/22/69/58/548226958.db2.gz XTQADFKEJZDLPW-BETUJISGSA-N 1 0 350.419 2.183 20 5 FEBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000194280090 548458562 /nfs/dbraw/zinc/45/85/62/548458562.db2.gz JUSHGSZHRQAGRJ-AWEZNQCLSA-N 1 0 363.439 2.266 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194741257 548524960 /nfs/dbraw/zinc/52/49/60/548524960.db2.gz DJQSBWQILFWKBD-AWEZNQCLSA-N 1 0 357.414 2.132 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000194876927 548544654 /nfs/dbraw/zinc/54/46/54/548544654.db2.gz QEIPBCBPDVNPGF-NVXWUHKLSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2)c(C)c1[N+](=O)[O-] ZINC000237638258 548841520 /nfs/dbraw/zinc/84/15/20/548841520.db2.gz DLSISKHONCZIKA-QGZVFWFLSA-N 1 0 371.441 2.328 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237752308 548849882 /nfs/dbraw/zinc/84/98/82/548849882.db2.gz CJPSUNUTPGQDHJ-FUNVUKJBSA-N 1 0 353.806 2.416 20 5 FEBDRO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000237814492 548854995 /nfs/dbraw/zinc/85/49/95/548854995.db2.gz IKTDILKFWBLYOP-GFCCVEGCSA-N 1 0 361.851 2.434 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237820692 548856319 /nfs/dbraw/zinc/85/63/19/548856319.db2.gz DFQTVNQYUIVMTR-UHFFFAOYSA-N 1 0 353.444 2.043 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000246392262 549123098 /nfs/dbraw/zinc/12/30/98/549123098.db2.gz PKONERWFIYQWLE-WCQYABFASA-N 1 0 371.484 2.294 20 5 FEBDRO CC(C)CN(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000488726076 561395448 /nfs/dbraw/zinc/39/54/48/561395448.db2.gz UXAUONOHRUWUEI-UHFFFAOYSA-N 1 0 351.451 2.321 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000246698914 549191287 /nfs/dbraw/zinc/19/12/87/549191287.db2.gz ZHEBPYISKVYLDU-KBPBESRZSA-N 1 0 355.460 2.315 20 5 FEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000246821177 549220601 /nfs/dbraw/zinc/22/06/01/549220601.db2.gz XFPVNKURQBJLEX-HKUYNNGSSA-N 1 0 358.442 2.422 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247167438 549293590 /nfs/dbraw/zinc/29/35/90/549293590.db2.gz UMQKGQJPBNHWNV-HOCLYGCPSA-N 1 0 367.471 2.262 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247199119 549298166 /nfs/dbraw/zinc/29/81/66/549298166.db2.gz WEWOTGNAPFUIQQ-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247308326 549315569 /nfs/dbraw/zinc/31/55/69/549315569.db2.gz IDCRCLSBQAOZCU-QWHZDKJVSA-N 1 0 371.441 2.064 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247337490 549321879 /nfs/dbraw/zinc/32/18/79/549321879.db2.gz NINWKMUSUKMGOZ-IAGOWNOFSA-N 1 0 363.414 2.112 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000248367146 549422421 /nfs/dbraw/zinc/42/24/21/549422421.db2.gz SYNGDZYEKMEROM-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248459093 549444340 /nfs/dbraw/zinc/44/43/40/549444340.db2.gz NJCQOTUBHMOGIY-IAGOWNOFSA-N 1 0 363.458 2.285 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248504509 549451893 /nfs/dbraw/zinc/45/18/93/549451893.db2.gz VQTYLUKZKKHOCG-NHYWBVRUSA-N 1 0 373.450 2.393 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248871478 549518189 /nfs/dbraw/zinc/51/81/89/549518189.db2.gz JUHDRTIKAOMDCG-OCCSQVGLSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248882711 549520931 /nfs/dbraw/zinc/52/09/31/549520931.db2.gz RVGUJJVWMJRMLO-TZMCWYRMSA-N 1 0 362.430 2.078 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000248930880 549528362 /nfs/dbraw/zinc/52/83/62/549528362.db2.gz XUIWGSFLUGDNSF-CZUORRHYSA-N 1 0 354.410 2.427 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000251665907 549650181 /nfs/dbraw/zinc/65/01/81/549650181.db2.gz LJXKCNHYIDPESQ-BZUAXINKSA-N 1 0 360.414 2.305 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261610812 549733897 /nfs/dbraw/zinc/73/38/97/549733897.db2.gz DVUHYCXCJXTRIW-AWEZNQCLSA-N 1 0 354.204 2.183 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000261629772 549736235 /nfs/dbraw/zinc/73/62/35/549736235.db2.gz HLTMTJICAWGNMV-ZDMBXUJBSA-N 1 0 356.220 2.474 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261714695 549746878 /nfs/dbraw/zinc/74/68/78/549746878.db2.gz PLLQKFBDYNUEJJ-ONGXEEELSA-N 1 0 354.204 2.039 20 5 FEBDRO C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C[NH3+])C1 ZINC000261852854 549762737 /nfs/dbraw/zinc/76/27/37/549762737.db2.gz QPTVRHPLEHHWAQ-MFKMUULPSA-N 1 0 370.247 2.486 20 5 FEBDRO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000261889606 549766813 /nfs/dbraw/zinc/76/68/13/549766813.db2.gz XIRLYXDOOASQDI-NXEZZACHSA-N 1 0 365.415 2.167 20 5 FEBDRO CN(CC(C)(C)C[NH3+])C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262576985 549829490 /nfs/dbraw/zinc/82/94/90/549829490.db2.gz GEFKXOLQNMRBDA-UHFFFAOYSA-N 1 0 358.236 2.343 20 5 FEBDRO O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000268999045 550142607 /nfs/dbraw/zinc/14/26/07/550142607.db2.gz YTAPDMLHABYWHU-OCCSQVGLSA-N 1 0 371.846 2.393 20 5 FEBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269200149 550166574 /nfs/dbraw/zinc/16/65/74/550166574.db2.gz VFQBUDAFXVFOIK-SECBINFHSA-N 1 0 360.183 2.320 20 5 FEBDRO COc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781067 561452666 /nfs/dbraw/zinc/45/26/66/561452666.db2.gz ACFOLVFGCAZDTC-WBVHZDCISA-N 1 0 362.474 2.061 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000271385256 550370974 /nfs/dbraw/zinc/37/09/74/550370974.db2.gz KJFJQTBUNHHXQV-UHFFFAOYSA-N 1 0 361.402 2.301 20 5 FEBDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000272052302 550418902 /nfs/dbraw/zinc/41/89/02/550418902.db2.gz HPDIGKWHVCKRPR-IINYFYTJSA-N 1 0 358.320 2.429 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272324369 550437694 /nfs/dbraw/zinc/43/76/94/550437694.db2.gz MIJWYXFLTDCPNT-WMLDXEAASA-N 1 0 371.441 2.127 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273458227 550499153 /nfs/dbraw/zinc/49/91/53/550499153.db2.gz HTFROYXOTVYTSV-CYBMUJFWSA-N 1 0 370.475 2.022 20 5 FEBDRO COC(=O)c1cnc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785791 550595515 /nfs/dbraw/zinc/59/55/15/550595515.db2.gz OXFAFAFGRGMTAI-STQMWFEESA-N 1 0 366.418 2.078 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000276920142 550611025 /nfs/dbraw/zinc/61/10/25/550611025.db2.gz HACKKBKYXKOUBF-GOEBONIOSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[S@](=O)CC1 ZINC000277169097 550639482 /nfs/dbraw/zinc/63/94/82/550639482.db2.gz KQUUPOHYORELAD-RKNYENMMSA-N 1 0 353.444 2.075 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277433138 550669814 /nfs/dbraw/zinc/66/98/14/550669814.db2.gz GMWIIMVDMYVOJD-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044292 550742334 /nfs/dbraw/zinc/74/23/34/550742334.db2.gz CHGFCDDBBXSDGU-BBRMVZONSA-N 1 0 370.409 2.336 20 5 FEBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278045239 550742647 /nfs/dbraw/zinc/74/26/47/550742647.db2.gz LKOWUSIJLRLCJW-ZFWWWQNUSA-N 1 0 370.409 2.336 20 5 FEBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278191878 550759386 /nfs/dbraw/zinc/75/93/86/550759386.db2.gz OWRBSLRAWDRLKQ-HNNXBMFYSA-N 1 0 356.382 2.042 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278488975 550792011 /nfs/dbraw/zinc/79/20/11/550792011.db2.gz LAGDADHUJPCOSB-CQSZACIVSA-N 1 0 372.429 2.287 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000278507109 550793320 /nfs/dbraw/zinc/79/33/20/550793320.db2.gz JEOGEYNCNULJNL-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000278605424 550803717 /nfs/dbraw/zinc/80/37/17/550803717.db2.gz IUVPAGHSBJFPJF-CYBMUJFWSA-N 1 0 367.421 2.428 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000278643206 550807503 /nfs/dbraw/zinc/80/75/03/550807503.db2.gz JBDMGXLYDYOICR-WBMJQRKESA-N 1 0 372.429 2.097 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278748080 550817979 /nfs/dbraw/zinc/81/79/79/550817979.db2.gz RUNLGJGUFGPNJA-UHFFFAOYSA-N 1 0 360.418 2.097 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000279244617 550868963 /nfs/dbraw/zinc/86/89/63/550868963.db2.gz QUSFNDQYOZCGCG-KBPBESRZSA-N 1 0 350.394 2.157 20 5 FEBDRO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CCO)CCOCC1 ZINC000495465559 561488713 /nfs/dbraw/zinc/48/87/13/561488713.db2.gz PMGAWVRNMRQDLU-UHFFFAOYSA-N 1 0 362.386 2.008 20 5 FEBDRO COC(=O)[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280159485 550966279 /nfs/dbraw/zinc/96/62/79/550966279.db2.gz FGPAVMGEVVZUEQ-MLGOLLRUSA-N 1 0 358.398 2.236 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355265 550984293 /nfs/dbraw/zinc/98/42/93/550984293.db2.gz JJPZAFVWYWDYEC-UGSOOPFHSA-N 1 0 363.414 2.112 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280355836 550984368 /nfs/dbraw/zinc/98/43/68/550984368.db2.gz IQCCWISXGGJESP-KSSFIOAISA-N 1 0 363.414 2.112 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281400538 551092502 /nfs/dbraw/zinc/09/25/02/551092502.db2.gz NMLLCYXWNKUING-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000497459486 561501398 /nfs/dbraw/zinc/50/13/98/561501398.db2.gz JWXKGSITWDQYNP-NVXWUHKLSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000282822367 551274353 /nfs/dbraw/zinc/27/43/53/551274353.db2.gz IYWITLSICJVMGS-CYBMUJFWSA-N 1 0 365.821 2.323 20 5 FEBDRO C[NH+](C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000283058884 551304760 /nfs/dbraw/zinc/30/47/60/551304760.db2.gz WKUBPJRCYSAHPM-HNNXBMFYSA-N 1 0 365.821 2.254 20 5 FEBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283410929 551361788 /nfs/dbraw/zinc/36/17/88/551361788.db2.gz FJVZEWJOODMZLI-OCCSQVGLSA-N 1 0 353.394 2.097 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000283610196 551396228 /nfs/dbraw/zinc/39/62/28/551396228.db2.gz ZKIHCSDGLHKOLM-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCN(C)CC1 ZINC000283672249 551406760 /nfs/dbraw/zinc/40/67/60/551406760.db2.gz FAFARBBPSFIGKP-GFCCVEGCSA-N 1 0 369.853 2.253 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750847 551421761 /nfs/dbraw/zinc/42/17/61/551421761.db2.gz OMRQUYQNTPJFLX-HZMBPMFUSA-N 1 0 350.394 2.012 20 5 FEBDRO CO[C@H]1C[C@@H](CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[N@H+](C)C1 ZINC000284509385 551565806 /nfs/dbraw/zinc/56/58/06/551565806.db2.gz BGTBMXOQFWCHCY-IRXDYDNUSA-N 1 0 374.441 2.443 20 5 FEBDRO C[N@@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000284674777 551605001 /nfs/dbraw/zinc/60/50/01/551605001.db2.gz GNUMXMDWKHYDKM-QGZVFWFLSA-N 1 0 368.437 2.392 20 5 FEBDRO C[N@@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765353 551627924 /nfs/dbraw/zinc/62/79/24/551627924.db2.gz MOGDCHLMKNSEMO-VQTJNVASSA-N 1 0 355.438 2.487 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000284795961 551635674 /nfs/dbraw/zinc/63/56/74/551635674.db2.gz KBRUYYIADZSQEY-CDHAZOANSA-N 1 0 357.414 2.341 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1OC ZINC000498712316 561532451 /nfs/dbraw/zinc/53/24/51/561532451.db2.gz WZQGNWPYNXGERR-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285330858 551739558 /nfs/dbraw/zinc/73/95/58/551739558.db2.gz SEVCTGAXZSJFPN-SJORKVTESA-N 1 0 361.442 2.437 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285399443 551750049 /nfs/dbraw/zinc/75/00/49/551750049.db2.gz XRPSVNZCITZOJZ-KBPBESRZSA-N 1 0 353.806 2.102 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285574180 551777066 /nfs/dbraw/zinc/77/70/66/551777066.db2.gz NZCXNTFXXIYOLN-UKRRQHHQSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC=C(c2ccnn2C)CC1 ZINC000285622528 551784386 /nfs/dbraw/zinc/78/43/86/551784386.db2.gz NJNYVVLYPUAXPS-UHFFFAOYSA-N 1 0 355.398 2.365 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000286404634 551884053 /nfs/dbraw/zinc/88/40/53/551884053.db2.gz OQRUETYTJWGPGR-UHFFFAOYSA-N 1 0 351.447 2.467 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000286555166 551899422 /nfs/dbraw/zinc/89/94/22/551899422.db2.gz DLHHJFPIEUWPFS-KRWDZBQOSA-N 1 0 366.487 2.216 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000286618768 551906806 /nfs/dbraw/zinc/90/68/06/551906806.db2.gz HWPPWANSNFLWSS-HIFRSBDPSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1cc(C(=O)NCCCC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000499203686 561545702 /nfs/dbraw/zinc/54/57/02/561545702.db2.gz ICBXGWKJQRQJIW-UHFFFAOYSA-N 1 0 361.345 2.276 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000286981589 551947642 /nfs/dbraw/zinc/94/76/42/551947642.db2.gz ORUROBCPPNWTFJ-OAHLLOKOSA-N 1 0 351.790 2.123 20 5 FEBDRO Cn1c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000499370459 561549831 /nfs/dbraw/zinc/54/98/31/561549831.db2.gz TVJXRLOXUVGCQS-UHFFFAOYSA-N 1 0 366.368 2.416 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000288489859 552162199 /nfs/dbraw/zinc/16/21/99/552162199.db2.gz RMWVKBPFGUWFAO-IBGZPJMESA-N 1 0 369.425 2.067 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000288532947 552170524 /nfs/dbraw/zinc/17/05/24/552170524.db2.gz URJIACKHZBDKCK-KSSFIOAISA-N 1 0 369.425 2.479 20 5 FEBDRO CC(C)(CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289495536 552331222 /nfs/dbraw/zinc/33/12/22/552331222.db2.gz LJXKLFKUECDDSG-UHFFFAOYSA-N 1 0 350.156 2.060 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H](O)C2)c1 ZINC000289548889 552338639 /nfs/dbraw/zinc/33/86/39/552338639.db2.gz DCUBYJISRMAQKC-LBPRGKRZSA-N 1 0 362.167 2.156 20 5 FEBDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661890 552357966 /nfs/dbraw/zinc/35/79/66/552357966.db2.gz NFHVIVKOKPAJNK-LRDDRELGSA-N 1 0 366.805 2.201 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(OCCO)CCOCC1 ZINC000500573431 561577220 /nfs/dbraw/zinc/57/72/20/561577220.db2.gz SWCLAELGQFINTG-PTNGSMBKSA-N 1 0 350.415 2.146 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000290004235 552412586 /nfs/dbraw/zinc/41/25/86/552412586.db2.gz ZIZCNDDOKRBKDW-RHSMWYFYSA-N 1 0 359.430 2.070 20 5 FEBDRO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290275406 552452892 /nfs/dbraw/zinc/45/28/92/552452892.db2.gz YYJBHUFKGYAGHR-QWHCGFSZSA-N 1 0 358.423 2.400 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000500868771 561584726 /nfs/dbraw/zinc/58/47/26/561584726.db2.gz ZEHHXOAHBLUVRU-CZUORRHYSA-N 1 0 357.414 2.051 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525661 552492769 /nfs/dbraw/zinc/49/27/69/552492769.db2.gz GSNOWMIZXNCYNQ-UONOGXRCSA-N 1 0 361.446 2.180 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000501246808 561593107 /nfs/dbraw/zinc/59/31/07/561593107.db2.gz HNUXOOPOPKZMQE-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291110194 552587791 /nfs/dbraw/zinc/58/77/91/552587791.db2.gz KICZSWUXVCXLSH-CYBMUJFWSA-N 1 0 353.423 2.026 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291602050 552642003 /nfs/dbraw/zinc/64/20/03/552642003.db2.gz BWWJPDBTLDVYLW-RYUDHWBXSA-N 1 0 357.357 2.180 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)C1 ZINC000292159184 552699351 /nfs/dbraw/zinc/69/93/51/552699351.db2.gz CVPBQFQQUUVCGF-IBGZPJMESA-N 1 0 358.442 2.363 20 5 FEBDRO CCN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](C)CO ZINC000293472218 552827235 /nfs/dbraw/zinc/82/72/35/552827235.db2.gz RCGWCJHTTJCKAX-NSHDSACASA-N 1 0 364.427 2.360 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293548214 552834484 /nfs/dbraw/zinc/83/44/84/552834484.db2.gz QZSWOUMUISSVMG-UHFFFAOYSA-N 1 0 363.336 2.312 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295845800 553067276 /nfs/dbraw/zinc/06/72/76/553067276.db2.gz ZUVNBPIWCASKHI-MRXNPFEDSA-N 1 0 364.442 2.352 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296422018 553157073 /nfs/dbraw/zinc/15/70/73/553157073.db2.gz VRKIHWDUURHPGT-QGTPRVQTSA-N 1 0 357.410 2.031 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC[N@@H+]1C[C@@H](C)O ZINC000296733046 553204413 /nfs/dbraw/zinc/20/44/13/553204413.db2.gz MSTAJLKYXPLZKQ-OLZOCXBDSA-N 1 0 368.409 2.351 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000298052556 553377643 /nfs/dbraw/zinc/37/76/43/553377643.db2.gz HZAVWNWUHCCCDE-UHFFFAOYSA-N 1 0 362.430 2.093 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000298155892 553391758 /nfs/dbraw/zinc/39/17/58/553391758.db2.gz LBHQERMSBVTTQW-UHFFFAOYSA-N 1 0 372.429 2.120 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000298252333 553403911 /nfs/dbraw/zinc/40/39/11/553403911.db2.gz UGVOGZXGNWVFBL-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000298728359 553464654 /nfs/dbraw/zinc/46/46/54/553464654.db2.gz NDTRIRCGPRERQL-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000298820705 553477303 /nfs/dbraw/zinc/47/73/03/553477303.db2.gz BJZUMONRGVIKHI-GDBMZVCRSA-N 1 0 374.441 2.235 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000298892240 553485674 /nfs/dbraw/zinc/48/56/74/553485674.db2.gz LKCRGVINPZLAQI-MSOLQXFVSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000299510527 553573650 /nfs/dbraw/zinc/57/36/50/553573650.db2.gz BIJWYOVUAGJJSH-UHFFFAOYSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000299518427 553574534 /nfs/dbraw/zinc/57/45/34/553574534.db2.gz IQEFXFUZHUXMPU-OAHLLOKOSA-N 1 0 373.413 2.202 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000299552680 553580012 /nfs/dbraw/zinc/58/00/12/553580012.db2.gz GEFUBDRGEXDAIG-QWRGUYRKSA-N 1 0 368.821 2.128 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301085998 553620705 /nfs/dbraw/zinc/62/07/05/553620705.db2.gz JTJFNLWQYXPQDI-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301166122 553627401 /nfs/dbraw/zinc/62/74/01/553627401.db2.gz INFOFFOWMSCAQS-ZDUSSCGKSA-N 1 0 357.414 2.142 20 5 FEBDRO [NH3+]C1(CO)CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000301307639 553640560 /nfs/dbraw/zinc/64/05/60/553640560.db2.gz ZQRNDOQXRYCJTJ-UHFFFAOYSA-N 1 0 355.394 2.116 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301893959 553689168 /nfs/dbraw/zinc/68/91/68/553689168.db2.gz PEHUICJQEDJRTG-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO Cc1nc(N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302482549 553718516 /nfs/dbraw/zinc/71/85/16/553718516.db2.gz WWPVPPQDFUGHBO-LJQANCHMSA-N 1 0 356.426 2.371 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324160022 553771554 /nfs/dbraw/zinc/77/15/54/553771554.db2.gz CBDOBFSUTUGXCV-UKRRQHHQSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324160024 553771588 /nfs/dbraw/zinc/77/15/88/553771588.db2.gz CBDOBFSUTUGXCV-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO COC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000327246981 553787119 /nfs/dbraw/zinc/78/71/19/553787119.db2.gz RXNVMQVWOAXIJM-CQSZACIVSA-N 1 0 352.387 2.148 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506452226 561699142 /nfs/dbraw/zinc/69/91/42/561699142.db2.gz OAOKRMJJOHWHBE-ZDUSSCGKSA-N 1 0 357.414 2.480 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000330416431 554118548 /nfs/dbraw/zinc/11/85/48/554118548.db2.gz OHAWQVBXEVMEGT-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000330422211 554119641 /nfs/dbraw/zinc/11/96/41/554119641.db2.gz SJEVUJKRSJKHGC-AWEZNQCLSA-N 1 0 355.460 2.304 20 5 FEBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331270730 554239218 /nfs/dbraw/zinc/23/92/18/554239218.db2.gz GDPWCXHVXCDKDZ-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000331499762 554275527 /nfs/dbraw/zinc/27/55/27/554275527.db2.gz NURWCZCHQFDYLH-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331736617 554318301 /nfs/dbraw/zinc/31/83/01/554318301.db2.gz UEVYCOICDGLMPM-BEFAXECRSA-N 1 0 361.442 2.414 20 5 FEBDRO O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]2CCCCN12 ZINC000509398500 561797611 /nfs/dbraw/zinc/79/76/11/561797611.db2.gz ANBGEJPGHCSWAM-QWHCGFSZSA-N 1 0 355.341 2.439 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331951351 554351287 /nfs/dbraw/zinc/35/12/87/554351287.db2.gz SPMZLAGBIBLRKF-GOEBONIOSA-N 1 0 367.471 2.364 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000332247690 554409438 /nfs/dbraw/zinc/40/94/38/554409438.db2.gz BQIOJMKWXPXWKH-OAHLLOKOSA-N 1 0 361.398 2.082 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000332532728 554465189 /nfs/dbraw/zinc/46/51/89/554465189.db2.gz WHXMTRHBIJEECL-LBPRGKRZSA-N 1 0 366.393 2.451 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000332569065 554473441 /nfs/dbraw/zinc/47/34/41/554473441.db2.gz CITFZGXIRIWATG-TZMCWYRMSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@@H]1C[C@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@@H+]1Cc1ccccc1 ZINC000510200170 561828087 /nfs/dbraw/zinc/82/80/87/561828087.db2.gz WYBODKOKWRCCCN-WBVHZDCISA-N 1 0 371.441 2.208 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000510971148 561852630 /nfs/dbraw/zinc/85/26/30/561852630.db2.gz XADNVHYTDHNNMK-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000361012770 554900295 /nfs/dbraw/zinc/90/02/95/554900295.db2.gz OLQNXRCJYQPRMC-VOTSOKGWSA-N 1 0 359.426 2.321 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361026799 554901073 /nfs/dbraw/zinc/90/10/73/554901073.db2.gz CDVULCZZYZFKAG-RRFJBIMHSA-N 1 0 365.455 2.008 20 5 FEBDRO CC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362328071 554963883 /nfs/dbraw/zinc/96/38/83/554963883.db2.gz WJROPCQTIWCKHQ-CQSZACIVSA-N 1 0 360.458 2.402 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000363020786 555011672 /nfs/dbraw/zinc/01/16/72/555011672.db2.gz UPLUZQLSNMIELB-ZIAGYGMSSA-N 1 0 353.444 2.056 20 5 FEBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363191958 555049937 /nfs/dbraw/zinc/04/99/37/555049937.db2.gz FSSRFUOFSNCPJN-CYBMUJFWSA-N 1 0 352.822 2.357 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000363426007 555102865 /nfs/dbraw/zinc/10/28/65/555102865.db2.gz ALIYMKFGOQEBOT-ZWKOTPCHSA-N 1 0 359.430 2.458 20 5 FEBDRO CN1CC[NH+](C2(CNC(=O)c3ccc([N+](=O)[O-])o3)CCCCCC2)CC1 ZINC000363902554 555210139 /nfs/dbraw/zinc/21/01/39/555210139.db2.gz ZPNIRRKEERIDQR-UHFFFAOYSA-N 1 0 364.446 2.258 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000364213833 555271560 /nfs/dbraw/zinc/27/15/60/555271560.db2.gz QWBGVVYUDOFYHU-HUUCEWRRSA-N 1 0 359.357 2.309 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364432141 555313146 /nfs/dbraw/zinc/31/31/46/555313146.db2.gz ASMFURAKINJFBR-CVEARBPZSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000512395356 561903381 /nfs/dbraw/zinc/90/33/81/561903381.db2.gz TYKYJBULCXXQCX-KGLIPLIRSA-N 1 0 367.471 2.038 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364625796 555356633 /nfs/dbraw/zinc/35/66/33/555356633.db2.gz KCWWQAMFOSUSJU-ZTFGCOKTSA-N 1 0 359.426 2.229 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755082 555394652 /nfs/dbraw/zinc/39/46/52/555394652.db2.gz AJJYFYPSHBHWSJ-UNEWFSDZSA-N 1 0 364.402 2.187 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364934366 555442515 /nfs/dbraw/zinc/44/25/15/555442515.db2.gz OJXHNQPUTYRZEC-GOEBONIOSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1OCC[NH+]1CCCC1 ZINC000512784566 561915251 /nfs/dbraw/zinc/91/52/51/561915251.db2.gz YUOIVYJGUWCRLF-UHFFFAOYSA-N 1 0 359.386 2.353 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000364956818 555449981 /nfs/dbraw/zinc/44/99/81/555449981.db2.gz QBECPTZCPUPANC-HNNXBMFYSA-N 1 0 369.425 2.214 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512831950 561917158 /nfs/dbraw/zinc/91/71/58/561917158.db2.gz GJLWVXCZKMFZMC-NSHDSACASA-N 1 0 371.340 2.454 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000365153111 555496193 /nfs/dbraw/zinc/49/61/93/555496193.db2.gz LICXIBVNRLNIBI-OAHLLOKOSA-N 1 0 353.444 2.234 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365206678 555511242 /nfs/dbraw/zinc/51/12/42/555511242.db2.gz YPQKGMZZEDBPKY-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513021587 561922582 /nfs/dbraw/zinc/92/25/82/561922582.db2.gz GNINAOCZPFLAFO-DDJMYBDESA-N 1 0 353.444 2.012 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365333644 555545745 /nfs/dbraw/zinc/54/57/45/555545745.db2.gz YKWPLCSBYHXXJI-HZMBPMFUSA-N 1 0 368.231 2.110 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)n1 ZINC000365519122 555597207 /nfs/dbraw/zinc/59/72/07/555597207.db2.gz WJAQNCVFCJDLMO-AWEZNQCLSA-N 1 0 364.377 2.007 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365661579 555634818 /nfs/dbraw/zinc/63/48/18/555634818.db2.gz HNYRGNPADPEXBR-UHFFFAOYSA-N 1 0 362.411 2.151 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365776820 555665717 /nfs/dbraw/zinc/66/57/17/555665717.db2.gz DGCAQHISYMWSSM-UKRRQHHQSA-N 1 0 360.345 2.010 20 5 FEBDRO Cc1nn(C)cc1[C@@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366098578 555751098 /nfs/dbraw/zinc/75/10/98/555751098.db2.gz VSJXCDAFBKHFSR-KRWDZBQOSA-N 1 0 369.425 2.363 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000366414182 555836794 /nfs/dbraw/zinc/83/67/94/555836794.db2.gz MAVCLGLYFAWTJH-KMUNFCNLSA-N 1 0 369.368 2.197 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000366414183 555836806 /nfs/dbraw/zinc/83/68/06/555836806.db2.gz MAVCLGLYFAWTJH-ONERCXAPSA-N 1 0 369.368 2.197 20 5 FEBDRO Cc1sc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000366434879 555842641 /nfs/dbraw/zinc/84/26/41/555842641.db2.gz ZLSHVZNHMFDIFS-SGMGOOAPSA-N 1 0 353.444 2.288 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000366440187 555844406 /nfs/dbraw/zinc/84/44/06/555844406.db2.gz PJCCHYWSBHBCMC-NXHRZFHOSA-N 1 0 361.442 2.238 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000366690044 555909754 /nfs/dbraw/zinc/90/97/54/555909754.db2.gz UKEMGQIFFRFLEC-MNOVXSKESA-N 1 0 359.835 2.072 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000367331803 556020378 /nfs/dbraw/zinc/02/03/78/556020378.db2.gz HFGSROQIXFSHIH-LJQANCHMSA-N 1 0 356.426 2.250 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000367548543 556079682 /nfs/dbraw/zinc/07/96/82/556079682.db2.gz CQAFNJXFRAAVQL-NHYWBVRUSA-N 1 0 363.443 2.203 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000367548544 556079786 /nfs/dbraw/zinc/07/97/86/556079786.db2.gz CQAFNJXFRAAVQL-XHDPSFHLSA-N 1 0 363.443 2.203 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000367648241 556104666 /nfs/dbraw/zinc/10/46/66/556104666.db2.gz GQFAIHUNYZQEGQ-FUHWJXTLSA-N 1 0 355.398 2.124 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000368219828 556251996 /nfs/dbraw/zinc/25/19/96/556251996.db2.gz AWPDQRKPYXRRCN-OAHLLOKOSA-N 1 0 354.410 2.371 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368374359 556291342 /nfs/dbraw/zinc/29/13/42/556291342.db2.gz LTPKBSIBQOKCPU-INIZCTEOSA-N 1 0 357.414 2.330 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000515500930 562013258 /nfs/dbraw/zinc/01/32/58/562013258.db2.gz XEDRMBAKQJCPSI-RYUDHWBXSA-N 1 0 358.398 2.403 20 5 FEBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976426 556465669 /nfs/dbraw/zinc/46/56/69/556465669.db2.gz WGKZQPTZRZXLQD-JOQOYGCGSA-N 1 0 370.409 2.378 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369378004 556585035 /nfs/dbraw/zinc/58/50/35/556585035.db2.gz DIRFPYUOQIKNMW-INIZCTEOSA-N 1 0 372.429 2.378 20 5 FEBDRO CC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369530842 556622610 /nfs/dbraw/zinc/62/26/10/556622610.db2.gz ILVLYGHTMCLBDY-FGTMMUONSA-N 1 0 350.415 2.288 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000369573317 556635333 /nfs/dbraw/zinc/63/53/33/556635333.db2.gz KPLTURRCWDJFQX-MLGOLLRUSA-N 1 0 363.443 2.052 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)n1 ZINC000369691278 556669718 /nfs/dbraw/zinc/66/97/18/556669718.db2.gz DGXHFMIYCPAZEG-UHFFFAOYSA-N 1 0 371.441 2.465 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000369772771 556690665 /nfs/dbraw/zinc/69/06/65/556690665.db2.gz MSUIHFJBZDPHDO-DOMZBBRYSA-N 1 0 362.386 2.416 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000369772774 556690888 /nfs/dbraw/zinc/69/08/88/556690888.db2.gz MSUIHFJBZDPHDO-WFASDCNBSA-N 1 0 362.386 2.416 20 5 FEBDRO CCC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000369854573 556713062 /nfs/dbraw/zinc/71/30/62/556713062.db2.gz YAVKFAXHQIJQCJ-MRXNPFEDSA-N 1 0 359.434 2.218 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](OC)CC1 ZINC000369992410 556751349 /nfs/dbraw/zinc/75/13/49/556751349.db2.gz BVCQGFMYYAOPPH-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@H]2CCCC[C@H]2O)c1 ZINC000516570676 562048566 /nfs/dbraw/zinc/04/85/66/562048566.db2.gz WIOPMXOIKZTTCE-QGPMSJSTSA-N 1 0 352.431 2.255 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516378 562045720 /nfs/dbraw/zinc/04/57/20/562045720.db2.gz BYXGZDMNUJWVIU-ZIAGYGMSSA-N 1 0 361.402 2.477 20 5 FEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000370201718 556809024 /nfs/dbraw/zinc/80/90/24/556809024.db2.gz NTALQGVGKLHOPB-DLBZAZTESA-N 1 0 350.415 2.355 20 5 FEBDRO NS(=O)(=O)[C@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000370233002 556817858 /nfs/dbraw/zinc/81/78/58/556817858.db2.gz LGBLRLWGRPUSTI-HNNXBMFYSA-N 1 0 372.446 2.199 20 5 FEBDRO CC[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1ccccc1Cl ZINC000516761491 562056819 /nfs/dbraw/zinc/05/68/19/562056819.db2.gz GTLCEGUBBWNXLQ-KBPBESRZSA-N 1 0 368.821 2.253 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])cn2)[C@@H]1c1cnn(C)c1 ZINC000370409973 556864292 /nfs/dbraw/zinc/86/42/92/556864292.db2.gz KKGVSGPYQNKACJ-XJKSGUPXSA-N 1 0 359.434 2.028 20 5 FEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000370439088 556873253 /nfs/dbraw/zinc/87/32/53/556873253.db2.gz CALGFQFIGHEOAQ-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000370698498 556943720 /nfs/dbraw/zinc/94/37/20/556943720.db2.gz FVUSCPRBEMSCMM-HNNXBMFYSA-N 1 0 352.866 2.460 20 5 FEBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052994 557059684 /nfs/dbraw/zinc/05/96/84/557059684.db2.gz JUFBBVGYMNENFI-ZQIUZPCESA-N 1 0 369.425 2.255 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219103 557110361 /nfs/dbraw/zinc/11/03/61/557110361.db2.gz JVCCXGCNNBQCOD-YJBOKZPZSA-N 1 0 360.458 2.001 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371239180 557116467 /nfs/dbraw/zinc/11/64/67/557116467.db2.gz YYHMMZDWZRTUPT-WMLDXEAASA-N 1 0 369.425 2.385 20 5 FEBDRO CCN1CCC([N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258560 557122108 /nfs/dbraw/zinc/12/21/08/557122108.db2.gz BGPKQYAEAUOCEA-GOSISDBHSA-N 1 0 363.458 2.283 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517403954 562089101 /nfs/dbraw/zinc/08/91/01/562089101.db2.gz KFWHJADVEOKODD-CYBMUJFWSA-N 1 0 365.455 2.190 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000371546760 557216817 /nfs/dbraw/zinc/21/68/17/557216817.db2.gz OCOFFPDQKZKLOO-KSSFIOAISA-N 1 0 358.442 2.361 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000371784279 557292520 /nfs/dbraw/zinc/29/25/20/557292520.db2.gz RCMDLJPMYGPWPK-ZDUSSCGKSA-N 1 0 353.394 2.018 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000371842493 557309339 /nfs/dbraw/zinc/30/93/39/557309339.db2.gz YLJLHYQYLQXTQZ-OAHLLOKOSA-N 1 0 353.444 2.234 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c([N+](=O)[O-])cc1F ZINC000518607515 562115196 /nfs/dbraw/zinc/11/51/96/562115196.db2.gz DDGKBDQEAQULJK-XNRPHZJLSA-N 1 0 365.405 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)c1 ZINC000518612243 562115345 /nfs/dbraw/zinc/11/53/45/562115345.db2.gz MDNXYBZOBAWGNZ-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286412 557430231 /nfs/dbraw/zinc/43/02/31/557430231.db2.gz ANZXENKUPKBPQE-WMZOPIPTSA-N 1 0 374.441 2.485 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000372569394 557507778 /nfs/dbraw/zinc/50/77/78/557507778.db2.gz IZDLCSMKADUJOX-MRXNPFEDSA-N 1 0 363.462 2.357 20 5 FEBDRO O=C1NC[C@]2(CCC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)O1 ZINC000372617211 557522081 /nfs/dbraw/zinc/52/20/81/557522081.db2.gz GKZLLSZECASTDT-SFHVURJKSA-N 1 0 372.381 2.367 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000372638856 557527584 /nfs/dbraw/zinc/52/75/84/557527584.db2.gz KNQQRODTCBNXRC-UHFFFAOYSA-N 1 0 373.400 2.475 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000519860040 562146884 /nfs/dbraw/zinc/14/68/84/562146884.db2.gz RLYCGKCWJHTVFS-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000519995859 562148447 /nfs/dbraw/zinc/14/84/47/562148447.db2.gz ULVGIJPYZVWYDP-ZDUSSCGKSA-N 1 0 359.430 2.455 20 5 FEBDRO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568368 557719856 /nfs/dbraw/zinc/71/98/56/557719856.db2.gz QJSSATWRKODLDW-AEFFLSMTSA-N 1 0 374.441 2.485 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)COCc3ccccc3)C2)c1 ZINC000373583197 557722877 /nfs/dbraw/zinc/72/28/77/557722877.db2.gz IVYDSNRMVXMBDA-WMZOPIPTSA-N 1 0 360.414 2.006 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1OC ZINC000373609513 557728750 /nfs/dbraw/zinc/72/87/50/557728750.db2.gz HMZKNPDYQZDWDW-FUHWJXTLSA-N 1 0 363.414 2.346 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000373781100 557757984 /nfs/dbraw/zinc/75/79/84/557757984.db2.gz GNOBHYBRYKVCFU-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000374115905 557826334 /nfs/dbraw/zinc/82/63/34/557826334.db2.gz UTKAQQDVPOEXJX-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000521032276 562167987 /nfs/dbraw/zinc/16/79/87/562167987.db2.gz BQVDGNXBNFYARE-NUJGCVRESA-N 1 0 363.414 2.240 20 5 FEBDRO COC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000521052048 562168589 /nfs/dbraw/zinc/16/85/89/562168589.db2.gz KMTRVMKKOXSINY-USXIJHARSA-N 1 0 350.415 2.474 20 5 FEBDRO O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374600653 557905021 /nfs/dbraw/zinc/90/50/21/557905021.db2.gz JGDPTGUNGKRDJP-MSOLQXFVSA-N 1 0 368.393 2.151 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000521129864 562170060 /nfs/dbraw/zinc/17/00/60/562170060.db2.gz RDAQGQSUXBVMDG-CQSZACIVSA-N 1 0 351.451 2.198 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](OC)CC1 ZINC000374659535 557913179 /nfs/dbraw/zinc/91/31/79/557913179.db2.gz DAPWAHNKEMUOEP-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015802 557964464 /nfs/dbraw/zinc/96/44/64/557964464.db2.gz DRSFMHBTUPANFD-ABAIWWIYSA-N 1 0 352.822 2.213 20 5 FEBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375206107 557991875 /nfs/dbraw/zinc/99/18/75/557991875.db2.gz HDLYMVUGJDRZOQ-CQSZACIVSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375268373 558001734 /nfs/dbraw/zinc/00/17/34/558001734.db2.gz CGIDGGAGCABCJB-UHFFFAOYSA-N 1 0 353.444 2.058 20 5 FEBDRO CCOc1cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000375430136 558025823 /nfs/dbraw/zinc/02/58/23/558025823.db2.gz WFZIAWLOHBYZPD-IAGOWNOFSA-N 1 0 363.458 2.415 20 5 FEBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598423 558054802 /nfs/dbraw/zinc/05/48/02/558054802.db2.gz NGNDAQNEBNHWJF-BJJXKVORSA-N 1 0 360.414 2.042 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623729 558058328 /nfs/dbraw/zinc/05/83/28/558058328.db2.gz LBDUIYTUVZBSJW-GDBMZVCRSA-N 1 0 367.471 2.026 20 5 FEBDRO C[C@H](NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C[NH+](C)C ZINC000376311211 558156181 /nfs/dbraw/zinc/15/61/81/558156181.db2.gz MJORKZZUKYYZPX-KBPBESRZSA-N 1 0 366.466 2.114 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)n1 ZINC000376654830 558203861 /nfs/dbraw/zinc/20/38/61/558203861.db2.gz ZRPMZZVXBRSYCF-UHFFFAOYSA-N 1 0 353.386 2.414 20 5 FEBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCC[C@H](C)C1 ZINC000521845361 562184670 /nfs/dbraw/zinc/18/46/70/562184670.db2.gz OAQHGEYTMLERQO-UONOGXRCSA-N 1 0 372.429 2.026 20 5 FEBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000522044271 562190052 /nfs/dbraw/zinc/19/00/52/562190052.db2.gz IHTMALIJIZQOBZ-UHFFFAOYSA-N 1 0 358.398 2.328 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccccc2)CC1 ZINC000377484030 558348606 /nfs/dbraw/zinc/34/86/06/558348606.db2.gz HIBKJZNGGKOAJU-UHFFFAOYSA-N 1 0 356.426 2.357 20 5 FEBDRO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512636 558354822 /nfs/dbraw/zinc/35/48/22/558354822.db2.gz OKZCEMHJMZAPDH-SJKUQHEZSA-N 1 0 361.398 2.056 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862798 558437193 /nfs/dbraw/zinc/43/71/93/558437193.db2.gz ZEDZJFPIJLSEGV-MNOVXSKESA-N 1 0 354.794 2.233 20 5 FEBDRO CC[NH+](CC)CC1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000523284885 562210388 /nfs/dbraw/zinc/21/03/88/562210388.db2.gz KCLLEJZBLZBFLQ-UHFFFAOYSA-N 1 0 365.478 2.379 20 5 FEBDRO CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)n1cc([N+](=O)[O-])cn1 ZINC000523287533 562210442 /nfs/dbraw/zinc/21/04/42/562210442.db2.gz MPJRIHZWIMTPFY-QGZVFWFLSA-N 1 0 371.441 2.480 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000523944787 562221890 /nfs/dbraw/zinc/22/18/90/562221890.db2.gz WBCHFQHDAORSPR-KBPBESRZSA-N 1 0 365.478 2.282 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000524418213 562228323 /nfs/dbraw/zinc/22/83/23/562228323.db2.gz SCZRSLLDUARGTI-UHFFFAOYSA-N 1 0 357.366 2.315 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000411180568 558849593 /nfs/dbraw/zinc/84/95/93/558849593.db2.gz NIGVFHOVXCSMDB-HNNXBMFYSA-N 1 0 374.441 2.237 20 5 FEBDRO CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411418970 558891402 /nfs/dbraw/zinc/89/14/02/558891402.db2.gz GMRANTQJEZNIFM-UHFFFAOYSA-N 1 0 364.446 2.422 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[NH+]2CCC(C)CC2)c1F ZINC000411428733 558893556 /nfs/dbraw/zinc/89/35/56/558893556.db2.gz PEIQNCNCHKEAPH-UHFFFAOYSA-N 1 0 353.394 2.133 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000411621447 558930721 /nfs/dbraw/zinc/93/07/21/558930721.db2.gz QLZMQMPALAYTFV-ZENOOKHLSA-N 1 0 365.430 2.413 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000411652569 558936273 /nfs/dbraw/zinc/93/62/73/558936273.db2.gz UUTUXXCNLSYXER-ZIAGYGMSSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799784 558965698 /nfs/dbraw/zinc/96/56/98/558965698.db2.gz XBHYEXMJYWKDLG-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CO[C@@](C)([C@@H](C)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000411945221 558993069 /nfs/dbraw/zinc/99/30/69/558993069.db2.gz KJZYBNOBLGFRDK-QGHHPUGFSA-N 1 0 365.386 2.055 20 5 FEBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411975249 558998137 /nfs/dbraw/zinc/99/81/37/558998137.db2.gz ZZJUWYORIYTGPV-LJQANCHMSA-N 1 0 366.377 2.365 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1F ZINC000412108063 559014455 /nfs/dbraw/zinc/01/44/55/559014455.db2.gz HCMXVIWNVLDQMU-LBPRGKRZSA-N 1 0 353.394 2.085 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1F ZINC000412121381 559015594 /nfs/dbraw/zinc/01/55/94/559015594.db2.gz FIOKNKOXXLNAJU-VXGBXAGGSA-N 1 0 353.394 2.226 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412147656 559017038 /nfs/dbraw/zinc/01/70/38/559017038.db2.gz HCFXFDZTLJOLCS-GFCCVEGCSA-N 1 0 353.394 2.085 20 5 FEBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000413199946 559087896 /nfs/dbraw/zinc/08/78/96/559087896.db2.gz DPRQLMZERVUFKF-QWRGUYRKSA-N 1 0 350.366 2.490 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCCC2(C)C)c1F ZINC000413868847 559136361 /nfs/dbraw/zinc/13/63/61/559136361.db2.gz WTLJMXKXXHAPGO-UHFFFAOYSA-N 1 0 353.394 2.276 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161386 559151231 /nfs/dbraw/zinc/15/12/31/559151231.db2.gz BTRQLXNDAQTSJA-XMZIXOGTSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1cc(CN[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414940990 559196272 /nfs/dbraw/zinc/19/62/72/559196272.db2.gz CGEFOKKVGKGJSM-CMPLNLGQSA-N 1 0 359.373 2.477 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000414949904 559196742 /nfs/dbraw/zinc/19/67/42/559196742.db2.gz OAAFKGNPEAWTBX-NXEZZACHSA-N 1 0 356.329 2.269 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415597353 559254038 /nfs/dbraw/zinc/25/40/38/559254038.db2.gz JIVZQBQMSWFIDY-NWDGAFQWSA-N 1 0 364.402 2.281 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000415657088 559258862 /nfs/dbraw/zinc/25/88/62/559258862.db2.gz JPJMVHNEMNLHQP-VXGBXAGGSA-N 1 0 353.394 2.226 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415842492 559277604 /nfs/dbraw/zinc/27/76/04/559277604.db2.gz WUKGCLFULXQBHD-VXGBXAGGSA-N 1 0 362.430 2.074 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000416029579 559289900 /nfs/dbraw/zinc/28/99/00/559289900.db2.gz LKDBBUAFFAOJET-SNVBAGLBSA-N 1 0 354.716 2.327 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416497657 559317843 /nfs/dbraw/zinc/31/78/43/559317843.db2.gz UFFSXZQBKMAQNZ-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416662732 559328576 /nfs/dbraw/zinc/32/85/76/559328576.db2.gz PEFVGLHMBMYMJN-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO COc1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000417177401 559351565 /nfs/dbraw/zinc/35/15/65/559351565.db2.gz CVDNZEFUQIEYQZ-UHFFFAOYSA-N 1 0 356.382 2.206 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000417201596 559352702 /nfs/dbraw/zinc/35/27/02/559352702.db2.gz WRYSVPFDBMMCSW-MRXNPFEDSA-N 1 0 370.409 2.290 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000417201936 559352731 /nfs/dbraw/zinc/35/27/31/559352731.db2.gz WWLNBJKALJVANN-OAHLLOKOSA-N 1 0 350.419 2.181 20 5 FEBDRO CCS(=O)(=O)N1CC(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417329931 559357945 /nfs/dbraw/zinc/35/79/45/559357945.db2.gz KJHIECSMVFBXMB-KRWDZBQOSA-N 1 0 367.471 2.233 20 5 FEBDRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1(O)CCOCC1 ZINC000417382390 559360232 /nfs/dbraw/zinc/36/02/32/559360232.db2.gz NTKJBGXFJUBZTK-GJZGRUSLSA-N 1 0 366.462 2.432 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417706808 559373432 /nfs/dbraw/zinc/37/34/32/559373432.db2.gz AIBMFDUSNOJMNB-AWEZNQCLSA-N 1 0 356.373 2.214 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417994395 559385622 /nfs/dbraw/zinc/38/56/22/559385622.db2.gz QWFQIIXQMYPDRD-STQMWFEESA-N 1 0 352.822 2.042 20 5 FEBDRO CC1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000417992974 559385629 /nfs/dbraw/zinc/38/56/29/559385629.db2.gz PNXSZRKUTVIAQG-UHFFFAOYSA-N 1 0 354.838 2.480 20 5 FEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096869 559389970 /nfs/dbraw/zinc/38/99/70/559389970.db2.gz XRDHEMGYTJOAKU-KOLCDFICSA-N 1 0 360.336 2.492 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418323137 559397313 /nfs/dbraw/zinc/39/73/13/559397313.db2.gz DOIZYSLTXLXQFL-UHFFFAOYSA-N 1 0 371.441 2.354 20 5 FEBDRO COC[C@@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[NH2+]1 ZINC000418660006 559410249 /nfs/dbraw/zinc/41/02/49/559410249.db2.gz WOYCSWQUQWOKTO-SFHVURJKSA-N 1 0 362.430 2.037 20 5 FEBDRO Cc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420169779 559475537 /nfs/dbraw/zinc/47/55/37/559475537.db2.gz LVJABFIGOMTSJJ-LLVKDONJSA-N 1 0 374.363 2.213 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCCC[C@@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279904 559478650 /nfs/dbraw/zinc/47/86/50/559478650.db2.gz XRJSHEHQOKYRDN-IUODEOHRSA-N 1 0 350.419 2.134 20 5 FEBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000420391457 559484939 /nfs/dbraw/zinc/48/49/39/559484939.db2.gz ODTOJCNSKRFBTF-ZWKOTPCHSA-N 1 0 372.400 2.489 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000420420387 559486761 /nfs/dbraw/zinc/48/67/61/559486761.db2.gz JOZXKECRAUTVRG-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000420446140 559487830 /nfs/dbraw/zinc/48/78/30/559487830.db2.gz GWQLKMJRLQNHHC-SECBINFHSA-N 1 0 367.349 2.034 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000420470574 559489398 /nfs/dbraw/zinc/48/93/98/559489398.db2.gz XCNIRPFVACSKDE-INIZCTEOSA-N 1 0 363.439 2.444 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420644968 559494915 /nfs/dbraw/zinc/49/49/15/559494915.db2.gz ZGQQKYAVQVXKHH-AWEZNQCLSA-N 1 0 357.414 2.090 20 5 FEBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421023615 559520311 /nfs/dbraw/zinc/52/03/11/559520311.db2.gz BGIUXESMYBYXGB-CQSZACIVSA-N 1 0 365.430 2.406 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421355544 559540067 /nfs/dbraw/zinc/54/00/67/559540067.db2.gz ZQSCZMACKXQJEM-IHRRRGAJSA-N 1 0 362.430 2.193 20 5 FEBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3nnnn3CC2)o1 ZINC000421393546 559540951 /nfs/dbraw/zinc/54/09/51/559540951.db2.gz FDAKXVIXZAGKBF-LBPRGKRZSA-N 1 0 354.370 2.336 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000421684068 559549357 /nfs/dbraw/zinc/54/93/57/559549357.db2.gz HTYVMSDFPLDJCP-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1cc(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000421684101 559549367 /nfs/dbraw/zinc/54/93/67/559549367.db2.gz IDUONCJXCGENHU-UHFFFAOYSA-N 1 0 351.403 2.215 20 5 FEBDRO CCOc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OC ZINC000421699502 559549619 /nfs/dbraw/zinc/54/96/19/559549619.db2.gz BJXXUSBRGKUPEA-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000421715989 559550590 /nfs/dbraw/zinc/55/05/90/559550590.db2.gz ZKRZZIRABYJDPR-CYBMUJFWSA-N 1 0 370.247 2.452 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000422034018 559561877 /nfs/dbraw/zinc/56/18/77/559561877.db2.gz ISRZYPKUSDSPAQ-ZDUSSCGKSA-N 1 0 358.398 2.074 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422550215 559594524 /nfs/dbraw/zinc/59/45/24/559594524.db2.gz AQLXASAPPXWAOY-MXWKQRLJSA-N 1 0 361.851 2.242 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422555310 559594714 /nfs/dbraw/zinc/59/47/14/559594714.db2.gz PAIZWQPCRRNJIE-SCRDCRAPSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000422555440 559594900 /nfs/dbraw/zinc/59/49/00/559594900.db2.gz PUINVRXUPWCAHS-BPNCWPANSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422555441 559594902 /nfs/dbraw/zinc/59/49/02/559594902.db2.gz PUINVRXUPWCAHS-GDLCADMTSA-N 1 0 355.460 2.206 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000422781742 559606433 /nfs/dbraw/zinc/60/64/33/559606433.db2.gz JBTAILFUUHWGEW-LLVKDONJSA-N 1 0 357.360 2.441 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422782802 559606486 /nfs/dbraw/zinc/60/64/86/559606486.db2.gz MJVGGKNPVODVOC-UHFFFAOYSA-N 1 0 355.398 2.269 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CC1 ZINC000422855878 559608667 /nfs/dbraw/zinc/60/86/67/559608667.db2.gz DBBBTZKPJUVCGJ-INIZCTEOSA-N 1 0 357.360 2.427 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000423580041 559632914 /nfs/dbraw/zinc/63/29/14/559632914.db2.gz QNERKFYIHVDLPT-CYBMUJFWSA-N 1 0 361.427 2.164 20 5 FEBDRO CCc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000423956501 559647942 /nfs/dbraw/zinc/64/79/42/559647942.db2.gz UOLUJBBWFQZTAI-UHFFFAOYSA-N 1 0 360.458 2.103 20 5 FEBDRO C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000424012581 559650979 /nfs/dbraw/zinc/65/09/79/559650979.db2.gz JTZWAQDZTLZRAD-JSGCOSHPSA-N 1 0 357.414 2.052 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000424043676 559652408 /nfs/dbraw/zinc/65/24/08/559652408.db2.gz ZGHUMTARBOBOIY-DOTOQJQBSA-N 1 0 359.357 2.066 20 5 FEBDRO C[C@H]1CC2(CN1C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CC[NH2+]CC2 ZINC000424221386 559658258 /nfs/dbraw/zinc/65/82/58/559658258.db2.gz BQILQLXRCPZCCF-AWEZNQCLSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000425516162 559707250 /nfs/dbraw/zinc/70/72/50/559707250.db2.gz UJWYYPDQXOYFJC-CYBMUJFWSA-N 1 0 368.821 2.339 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000425555262 559709579 /nfs/dbraw/zinc/70/95/79/559709579.db2.gz QEGKSDKLMWZAJC-QGZVFWFLSA-N 1 0 359.426 2.475 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000427716808 559760769 /nfs/dbraw/zinc/76/07/69/559760769.db2.gz BMJMSBROURWYPH-UHFFFAOYSA-N 1 0 373.413 2.020 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428024682 559767690 /nfs/dbraw/zinc/76/76/90/559767690.db2.gz PAUCKQVAVAEALP-CYBMUJFWSA-N 1 0 360.414 2.368 20 5 FEBDRO COc1cc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000428550504 559777968 /nfs/dbraw/zinc/77/79/68/559777968.db2.gz VJMBLVHCHKSTQU-MRXNPFEDSA-N 1 0 371.393 2.422 20 5 FEBDRO [NH3+]C1(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCCC1 ZINC000428555740 559778316 /nfs/dbraw/zinc/77/83/16/559778316.db2.gz ZEIYNBNUPGGTRQ-UHFFFAOYSA-N 1 0 363.414 2.076 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000429147796 559791863 /nfs/dbraw/zinc/79/18/63/559791863.db2.gz BMUAWDNEMYTVGZ-SJCJKPOMSA-N 1 0 371.441 2.266 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429303635 559795227 /nfs/dbraw/zinc/79/52/27/559795227.db2.gz WONASHMCLBAVKJ-ZDUSSCGKSA-N 1 0 371.393 2.395 20 5 FEBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000429351430 559796625 /nfs/dbraw/zinc/79/66/25/559796625.db2.gz GEHREQSVXLEEMS-CYBMUJFWSA-N 1 0 351.403 2.249 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000430193897 559815067 /nfs/dbraw/zinc/81/50/67/559815067.db2.gz HEODOFXQVRVVHX-UHFFFAOYSA-N 1 0 351.447 2.394 20 5 FEBDRO C[C@](C[NH3+])(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000430552195 559822354 /nfs/dbraw/zinc/82/23/54/559822354.db2.gz MYSUIBNBRSYKNO-CQSZACIVSA-N 1 0 371.235 2.013 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430596886 559824077 /nfs/dbraw/zinc/82/40/77/559824077.db2.gz XYIVAMXKQCSQNI-SWLSCSKDSA-N 1 0 350.419 2.134 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000431942721 559849012 /nfs/dbraw/zinc/84/90/12/559849012.db2.gz QBFUEEOUZJREKW-KSSFIOAISA-N 1 0 373.413 2.003 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433017081 559870031 /nfs/dbraw/zinc/87/00/31/559870031.db2.gz XDKBEDIZCDMVIC-KCXAZCMYSA-N 1 0 351.403 2.096 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000436441393 559941671 /nfs/dbraw/zinc/94/16/71/559941671.db2.gz YBOHVJDNMIOTHS-HZPDHXFCSA-N 1 0 365.455 2.397 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000443376846 560082454 /nfs/dbraw/zinc/08/24/54/560082454.db2.gz WXSWIIPMGYNPPR-OCCSQVGLSA-N 1 0 362.430 2.173 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443626410 560088841 /nfs/dbraw/zinc/08/88/41/560088841.db2.gz PZIZAUGKKPMHPP-GXTWGEPZSA-N 1 0 350.419 2.085 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[C@H]1CCC[NH2+]1 ZINC000444262622 560107238 /nfs/dbraw/zinc/10/72/38/560107238.db2.gz BNIALIQDJNGWGP-LLVKDONJSA-N 1 0 356.220 2.158 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191887 560130554 /nfs/dbraw/zinc/13/05/54/560130554.db2.gz YCEOWBWCAAKWLQ-IUODEOHRSA-N 1 0 356.382 2.261 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318428 560144300 /nfs/dbraw/zinc/14/43/00/560144300.db2.gz BVUXIVKRBFURRF-FCEWJHQRSA-N 1 0 359.426 2.012 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000447940503 560174049 /nfs/dbraw/zinc/17/40/49/560174049.db2.gz BTCFULOSPYDXCZ-INIZCTEOSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448324081 560184442 /nfs/dbraw/zinc/18/44/42/560184442.db2.gz BHXFUFMXYWCVMZ-OAHLLOKOSA-N 1 0 362.430 2.078 20 5 FEBDRO CC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448704779 560195327 /nfs/dbraw/zinc/19/53/27/560195327.db2.gz ORSWUHSOGDMNGP-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449089046 560215492 /nfs/dbraw/zinc/21/54/92/560215492.db2.gz CSDZXNVNTRPAJT-CYBMUJFWSA-N 1 0 363.439 2.224 20 5 FEBDRO Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])C2=O)n(C)n1 ZINC000449168939 560218615 /nfs/dbraw/zinc/21/86/15/560218615.db2.gz CHMHUDAHCPXAKX-BBRMVZONSA-N 1 0 371.441 2.353 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1OC ZINC000449205208 560219973 /nfs/dbraw/zinc/21/99/73/560219973.db2.gz NJYIYHQEILSHHC-STQMWFEESA-N 1 0 363.414 2.074 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccnn2C)C1=O ZINC000449279926 560223251 /nfs/dbraw/zinc/22/32/51/560223251.db2.gz UPCZRQGBEVUQAW-UKRRQHHQSA-N 1 0 357.414 2.045 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449441035 560230187 /nfs/dbraw/zinc/23/01/87/560230187.db2.gz OEGHHNICQGOGGX-GUYCJALGSA-N 1 0 364.446 2.404 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000449621181 560235007 /nfs/dbraw/zinc/23/50/07/560235007.db2.gz GXZMCXIWDYDXGV-GYABFAJESA-N 1 0 358.442 2.441 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@@H+]1C1CC1 ZINC000450137430 560251887 /nfs/dbraw/zinc/25/18/87/560251887.db2.gz RYHQRFBMQIURQV-YPMHNXCESA-N 1 0 355.398 2.340 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152966 560252367 /nfs/dbraw/zinc/25/23/67/560252367.db2.gz RQZRSXDDZZLIAF-APPDUMDISA-N 1 0 355.398 2.197 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)nc1-c1ccc(F)cc1 ZINC000450601994 560267704 /nfs/dbraw/zinc/26/77/04/560267704.db2.gz ZGCYCTHTEHROBV-MRXNPFEDSA-N 1 0 374.416 3.055 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000451097775 560286928 /nfs/dbraw/zinc/28/69/28/560286928.db2.gz FKFJTUREYWXMPJ-XJKSGUPXSA-N 1 0 371.393 2.202 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306167 560299188 /nfs/dbraw/zinc/29/91/88/560299188.db2.gz RNUPDQJICSCBKN-KYOSRNDESA-N 1 0 354.378 2.104 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409268 560305230 /nfs/dbraw/zinc/30/52/30/560305230.db2.gz AESAEOUJQDVBCI-LZLYRXPVSA-N 1 0 359.426 2.109 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@](O)(C(F)F)C3)o2)c1 ZINC000451433783 560306811 /nfs/dbraw/zinc/30/68/11/560306811.db2.gz PFXDWTXONNJHJJ-MRXNPFEDSA-N 1 0 353.325 2.494 20 5 FEBDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)C ZINC000451592995 560316420 /nfs/dbraw/zinc/31/64/20/560316420.db2.gz HAUJWCCZWVPTII-QFBILLFUSA-N 1 0 363.458 2.363 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593918 560316572 /nfs/dbraw/zinc/31/65/72/560316572.db2.gz IUZPIZLYCQFICM-KSSFIOAISA-N 1 0 367.446 2.421 20 5 FEBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000451648343 560319389 /nfs/dbraw/zinc/31/93/89/560319389.db2.gz FAQRDZFAIZMQNR-GVDBMIGSSA-N 1 0 354.451 2.212 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451900731 560335728 /nfs/dbraw/zinc/33/57/28/560335728.db2.gz LYXYDIONWJMENK-SFHVURJKSA-N 1 0 361.398 2.395 20 5 FEBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000452018033 560345700 /nfs/dbraw/zinc/34/57/00/560345700.db2.gz NZDCFGMNPVQRTR-ZOBUZTSGSA-N 1 0 360.414 2.039 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000452794466 560374238 /nfs/dbraw/zinc/37/42/38/560374238.db2.gz IJVZOLNANCTAGN-HNNXBMFYSA-N 1 0 363.458 2.469 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452798975 560374484 /nfs/dbraw/zinc/37/44/84/560374484.db2.gz POEFJTQSHMQGRA-ZDUSSCGKSA-N 1 0 355.822 2.133 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000452970312 560379515 /nfs/dbraw/zinc/37/95/15/560379515.db2.gz FGLNKHSCYHJSOZ-RISCZKNCSA-N 1 0 368.231 2.062 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453099754 560383238 /nfs/dbraw/zinc/38/32/38/560383238.db2.gz YPJGLZDMJAXING-INIZCTEOSA-N 1 0 353.444 2.041 20 5 FEBDRO COc1ccc(C[NH2+][C@H](C)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000453608671 560390960 /nfs/dbraw/zinc/39/09/60/560390960.db2.gz HGRWAHOZGBOENU-CQSZACIVSA-N 1 0 357.410 2.440 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000454098896 560429078 /nfs/dbraw/zinc/42/90/78/560429078.db2.gz ISVPBLVJRNGLIL-UHFFFAOYSA-N 1 0 362.430 2.086 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000455341041 560478771 /nfs/dbraw/zinc/47/87/71/560478771.db2.gz WPKOUWBJNPYEOA-UHFFFAOYSA-N 1 0 367.425 2.272 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456040780 560505221 /nfs/dbraw/zinc/50/52/21/560505221.db2.gz FDHNOEJIWXLGDV-MLGOLLRUSA-N 1 0 357.414 2.453 20 5 FEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456709444 560530206 /nfs/dbraw/zinc/53/02/06/560530206.db2.gz XVUOGOKLLZBLBW-UHFFFAOYSA-N 1 0 361.398 2.113 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457128036 560551361 /nfs/dbraw/zinc/55/13/61/560551361.db2.gz RSTSEQXEZBSZSD-MRXNPFEDSA-N 1 0 357.414 2.335 20 5 FEBDRO Cc1c(C(=O)NCCCC[N@@H+](C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457208981 560556051 /nfs/dbraw/zinc/55/60/51/560556051.db2.gz UPYYOGYOAVHZHR-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO CON1CCC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000459577344 560695298 /nfs/dbraw/zinc/69/52/98/560695298.db2.gz IOQWQXIPTWODBW-UHFFFAOYSA-N 1 0 356.810 2.144 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459659512 560700492 /nfs/dbraw/zinc/70/04/92/560700492.db2.gz KJLUVNXXMDYWBK-LBPRGKRZSA-N 1 0 362.352 2.472 20 5 FEBDRO CO[C@H]1C[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000459758907 560706758 /nfs/dbraw/zinc/70/67/58/560706758.db2.gz LOIYAOPJRPXKAT-CVEARBPZSA-N 1 0 361.398 2.440 20 5 FEBDRO NC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC3CC(C2)CC1C3 ZINC000459794996 560708656 /nfs/dbraw/zinc/70/86/56/560708656.db2.gz XBRGSMMFGGJKIM-UHFFFAOYSA-N 1 0 359.426 2.243 20 5 FEBDRO CS[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000460347793 560742059 /nfs/dbraw/zinc/74/20/59/560742059.db2.gz CNJPPPYQOKOLQA-SJORKVTESA-N 1 0 351.472 2.485 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461095186 560761363 /nfs/dbraw/zinc/76/13/63/560761363.db2.gz BUZAGJDPTJIAHH-DYVFJYSZSA-N 1 0 365.430 2.079 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000466245791 560882611 /nfs/dbraw/zinc/88/26/11/560882611.db2.gz KDMLPMYUOHPYLV-CQSZACIVSA-N 1 0 353.394 2.307 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468356075 560927898 /nfs/dbraw/zinc/92/78/98/560927898.db2.gz DWHVPGAPCATLND-CYBMUJFWSA-N 1 0 350.419 2.098 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470917585 560993966 /nfs/dbraw/zinc/99/39/66/560993966.db2.gz KXHISFYSOVRXDO-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000472135626 561019061 /nfs/dbraw/zinc/01/90/61/561019061.db2.gz BEMQGOLABNVPMJ-UHFFFAOYSA-N 1 0 367.425 2.272 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000472569798 561029446 /nfs/dbraw/zinc/02/94/46/561029446.db2.gz ZVQVWJIUIPVOJV-MRXNPFEDSA-N 1 0 374.372 2.092 20 5 FEBDRO CNC(=O)c1cccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000472618143 561031179 /nfs/dbraw/zinc/03/11/79/561031179.db2.gz WAKBATRCIMFRIZ-IAGOWNOFSA-N 1 0 371.441 2.467 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000472952857 561038723 /nfs/dbraw/zinc/03/87/23/561038723.db2.gz NMKOHISFSFWAGH-QGZVFWFLSA-N 1 0 364.446 2.237 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000473985011 561062810 /nfs/dbraw/zinc/06/28/10/561062810.db2.gz RHOAOBYDKDNWFK-WFASDCNBSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004446 561063283 /nfs/dbraw/zinc/06/32/83/561063283.db2.gz GOXZYOVEDAHONN-JECHBYEQSA-N 1 0 366.414 2.296 20 5 FEBDRO CCC1(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000474361479 561072077 /nfs/dbraw/zinc/07/20/77/561072077.db2.gz DJMDOKGIKYPFME-UHFFFAOYSA-N 1 0 366.414 2.443 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1[N+](=O)[O-] ZINC000474381143 561072757 /nfs/dbraw/zinc/07/27/57/561072757.db2.gz VBZBPSRWGPQYPS-IIAWOOMASA-N 1 0 364.398 2.194 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476625213 561124734 /nfs/dbraw/zinc/12/47/34/561124734.db2.gz AYPRMKQOZYCWDV-AWEZNQCLSA-N 1 0 363.462 2.445 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000530441461 562411317 /nfs/dbraw/zinc/41/13/17/562411317.db2.gz GSTNRDQSSXLNAA-OAHLLOKOSA-N 1 0 366.414 2.177 20 5 FEBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000532347411 562474787 /nfs/dbraw/zinc/47/47/87/562474787.db2.gz XNMMDMYIIXZRBJ-CYBMUJFWSA-N 1 0 358.464 2.025 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000533469334 562509901 /nfs/dbraw/zinc/50/99/01/562509901.db2.gz UOPYCOFWARGUPN-YOEHRIQHSA-N 1 0 364.446 2.345 20 5 FEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313874 562555695 /nfs/dbraw/zinc/55/56/95/562555695.db2.gz PCHKQQLJBDKHPT-CYBMUJFWSA-N 1 0 354.370 2.368 20 5 FEBDRO CN(CCC[NH+](C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000537213979 562587904 /nfs/dbraw/zinc/58/79/04/562587904.db2.gz FDAZHLYGNDZBCZ-UHFFFAOYSA-N 1 0 358.236 2.310 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000541276068 562607802 /nfs/dbraw/zinc/60/78/02/562607802.db2.gz CQWHYHPJEOVPSN-HNNXBMFYSA-N 1 0 373.409 2.273 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000541524591 562614299 /nfs/dbraw/zinc/61/42/99/562614299.db2.gz PPLYXURIERFCOZ-UHFFFAOYSA-N 1 0 350.419 2.087 20 5 FEBDRO CC[NH+](CC)CCOCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000541592435 562616001 /nfs/dbraw/zinc/61/60/01/562616001.db2.gz HVBPYTSZKATXER-UHFFFAOYSA-N 1 0 350.419 2.250 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546164229 562634517 /nfs/dbraw/zinc/63/45/17/562634517.db2.gz CLYKGEYUVBGWCJ-APHBMKBZSA-N 1 0 351.403 2.096 20 5 FEBDRO COc1ccc(OC)c(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000550192954 562643837 /nfs/dbraw/zinc/64/38/37/562643837.db2.gz VDXYHXQZNUXFHK-HNNXBMFYSA-N 1 0 362.382 2.142 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000568152673 567958285 /nfs/dbraw/zinc/95/82/85/567958285.db2.gz GAZOKYIOVRUDDE-UHFFFAOYSA-N 1 0 367.471 2.424 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cn1 ZINC000602501079 567983955 /nfs/dbraw/zinc/98/39/55/567983955.db2.gz ABZMEKICRBBRIE-UHFFFAOYSA-N 1 0 356.382 2.477 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000568903665 568250896 /nfs/dbraw/zinc/25/08/96/568250896.db2.gz PONVRFNRBCIPDG-HNNXBMFYSA-N 1 0 365.430 2.080 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C2=O ZINC000569100797 568275607 /nfs/dbraw/zinc/27/56/07/568275607.db2.gz QRLMQBMPLIIXJI-BDJLRTHQSA-N 1 0 366.805 2.188 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254994 568320945 /nfs/dbraw/zinc/32/09/45/568320945.db2.gz GOBPUKDLEWDKRW-SCRDCRAPSA-N 1 0 361.398 2.126 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCSc2ccc(Cl)cc2)c1 ZINC000570201701 568460937 /nfs/dbraw/zinc/46/09/37/568460937.db2.gz CVEUSUUJKSUDJI-ZDUSSCGKSA-N 1 0 356.835 2.188 20 5 FEBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N1CCCC[C@@H]1C ZINC000584716725 568548189 /nfs/dbraw/zinc/54/81/89/568548189.db2.gz MMKCTMATEDLMDQ-KBPBESRZSA-N 1 0 362.430 2.303 20 5 FEBDRO CSC1(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC[NH+](C)CC1 ZINC000558483442 674499405 /nfs/dbraw/zinc/49/94/05/674499405.db2.gz QTZVAIZETIXZQA-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO C[NH+](C)CC1(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC1 ZINC000809843351 674515907 /nfs/dbraw/zinc/51/59/07/674515907.db2.gz NQRRQSIBBZAQPF-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000558881777 674519230 /nfs/dbraw/zinc/51/92/30/674519230.db2.gz XFEVUBCTRXMCGD-AWEZNQCLSA-N 1 0 351.451 2.367 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821586194 607112987 /nfs/dbraw/zinc/11/29/87/607112987.db2.gz NKGRJCWXOLUASI-UHFFFAOYSA-N 1 0 367.413 2.343 20 5 FEBDRO CC[N@H+](CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000811799033 674628628 /nfs/dbraw/zinc/62/86/28/674628628.db2.gz PTFBXVQSXOOYJK-UHFFFAOYSA-N 1 0 354.363 2.432 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000562044027 674717642 /nfs/dbraw/zinc/71/76/42/674717642.db2.gz XGTCXKJVAYQXMR-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011998 674895757 /nfs/dbraw/zinc/89/57/57/674895757.db2.gz DEQQHGWWCJQXRD-UHFFFAOYSA-N 1 0 367.830 2.398 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047314 674907404 /nfs/dbraw/zinc/90/74/04/674907404.db2.gz NISBNSMWMMSAKZ-VIFPVBQESA-N 1 0 367.830 2.394 20 5 FEBDRO CCOC1CC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000564202969 674983492 /nfs/dbraw/zinc/98/34/92/674983492.db2.gz AGSWHFIYFPLDPN-UHFFFAOYSA-N 1 0 356.444 2.163 20 5 FEBDRO CSC1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000564582052 675040976 /nfs/dbraw/zinc/04/09/76/675040976.db2.gz CDSVDJQDBGZXEA-UHFFFAOYSA-N 1 0 352.460 2.221 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000817147772 675105073 /nfs/dbraw/zinc/10/50/73/675105073.db2.gz SWJNOJQFDSOIDU-UHFFFAOYSA-N 1 0 359.423 2.193 20 5 FEBDRO Cc1c(C(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078438965 670587337 /nfs/dbraw/zinc/58/73/37/670587337.db2.gz NGSDDFNSVASMAD-UHFFFAOYSA-N 1 0 350.375 2.417 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000083981456 670663649 /nfs/dbraw/zinc/66/36/49/670663649.db2.gz JNOBCUOCRKMEPI-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000565507986 675128026 /nfs/dbraw/zinc/12/80/26/675128026.db2.gz KXZJXFSHHQDMBK-CYBMUJFWSA-N 1 0 353.444 2.120 20 5 FEBDRO C[C@@H]1C[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000570446999 670715473 /nfs/dbraw/zinc/71/54/73/670715473.db2.gz NWZJBOWWKNIHJF-KGLIPLIRSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1nc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000565594167 675135078 /nfs/dbraw/zinc/13/50/78/675135078.db2.gz KHTJGTWXWJNFHO-UHFFFAOYSA-N 1 0 369.468 2.274 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000571013386 670800931 /nfs/dbraw/zinc/80/09/31/670800931.db2.gz MUMYLARWYNAUJK-CYBMUJFWSA-N 1 0 350.419 2.229 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000571679250 670911018 /nfs/dbraw/zinc/91/10/18/670911018.db2.gz BIPXRYZCBBLXTL-SNVBAGLBSA-N 1 0 364.146 2.084 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000565921792 675161003 /nfs/dbraw/zinc/16/10/03/675161003.db2.gz IXIZZKRXKHFUKZ-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573566130 671137886 /nfs/dbraw/zinc/13/78/86/671137886.db2.gz DHKXKMRTRGRKAW-OAHLLOKOSA-N 1 0 350.419 2.098 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818019281 675191233 /nfs/dbraw/zinc/19/12/33/675191233.db2.gz RSNZQMIEHWEADX-AWEZNQCLSA-N 1 0 372.194 2.465 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000578269595 671652906 /nfs/dbraw/zinc/65/29/06/671652906.db2.gz SKXNJPCYIRXSMO-ZDUSSCGKSA-N 1 0 372.491 2.377 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000578851462 671693943 /nfs/dbraw/zinc/69/39/43/671693943.db2.gz NFKACPFGDXHTCN-OLZOCXBDSA-N 1 0 371.235 2.085 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000579408116 671733263 /nfs/dbraw/zinc/73/32/63/671733263.db2.gz VQTQCFZKAHPXTL-UVTDQMKNSA-N 1 0 367.471 2.259 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853131 671766049 /nfs/dbraw/zinc/76/60/49/671766049.db2.gz DBSDWIGGUYYZMV-CHWSQXEVSA-N 1 0 352.410 2.099 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000119747279 671907456 /nfs/dbraw/zinc/90/74/56/671907456.db2.gz QZAVEPHDDGPAPS-GFCCVEGCSA-N 1 0 369.468 2.455 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610134956 675955925 /nfs/dbraw/zinc/95/59/25/675955925.db2.gz HLLDSCZPVUIBIM-KGLIPLIRSA-N 1 0 355.460 2.397 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000125450742 672011871 /nfs/dbraw/zinc/01/18/71/672011871.db2.gz ZMLCHRAOCVLXQH-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO CCC(CC)[C@H](CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-])[NH+](C)C ZINC000582971212 672051067 /nfs/dbraw/zinc/05/10/67/672051067.db2.gz UTQPMMSCGRIHFT-AWEZNQCLSA-N 1 0 352.435 2.863 20 5 FEBDRO C[C@@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000610485237 675975133 /nfs/dbraw/zinc/97/51/33/675975133.db2.gz WWLOZUBHESSSDU-AWEZNQCLSA-N 1 0 358.320 2.307 20 5 FEBDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494840 672100335 /nfs/dbraw/zinc/10/03/35/672100335.db2.gz HIDSUMQLNKXWNN-LSDHHAIUSA-N 1 0 369.487 2.079 20 5 FEBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494839 672100359 /nfs/dbraw/zinc/10/03/59/672100359.db2.gz HIDSUMQLNKXWNN-HUUCEWRRSA-N 1 0 369.487 2.079 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000583752286 672123278 /nfs/dbraw/zinc/12/32/78/672123278.db2.gz ALRMOLAAOOMURY-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO COC1CC[NH+](CCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000610573050 675981922 /nfs/dbraw/zinc/98/19/22/675981922.db2.gz PFFYBEXZDVNION-CYBMUJFWSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cc(F)ccc2F)c1 ZINC000584167986 672162109 /nfs/dbraw/zinc/16/21/09/672162109.db2.gz OBTAAVLQXSYGQR-OAHLLOKOSA-N 1 0 352.337 2.445 20 5 FEBDRO CCOc1cc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1[N+](=O)[O-] ZINC000584793066 672216440 /nfs/dbraw/zinc/21/64/40/672216440.db2.gz BHCRDXGLDSDELE-ROUUACIJSA-N 1 0 350.415 2.403 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000587146628 672440970 /nfs/dbraw/zinc/44/09/70/672440970.db2.gz CWUCYFUMLXRDQA-LBPRGKRZSA-N 1 0 363.443 2.291 20 5 FEBDRO Cc1ccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000589191223 672512531 /nfs/dbraw/zinc/51/25/31/672512531.db2.gz YARNNTNDRRPGLW-UHFFFAOYSA-N 1 0 369.468 2.334 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590047166 672556380 /nfs/dbraw/zinc/55/63/80/672556380.db2.gz WMXXTIWTSWJSFI-DOMZBBRYSA-N 1 0 358.423 2.494 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590445075 672583396 /nfs/dbraw/zinc/58/33/96/672583396.db2.gz QEBYRVMGRWEFPW-DOMZBBRYSA-N 1 0 365.455 2.109 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000590749416 672609769 /nfs/dbraw/zinc/60/97/69/672609769.db2.gz FJPQDYVNKMVTPE-YXJHDRRASA-N 1 0 350.415 2.226 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000591225723 672659317 /nfs/dbraw/zinc/65/93/17/672659317.db2.gz XTEUBNQBXXSMRN-UHFFFAOYSA-N 1 0 350.350 2.265 20 5 FEBDRO CCOc1cc(NC(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])cc1OCC ZINC000591274066 672664361 /nfs/dbraw/zinc/66/43/61/672664361.db2.gz AZSSZGZIGCSFBU-UHFFFAOYSA-N 1 0 352.391 2.266 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000591735556 672706672 /nfs/dbraw/zinc/70/66/72/672706672.db2.gz HUSWRCLPUASOTF-UHFFFAOYSA-N 1 0 350.396 2.037 20 5 FEBDRO CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000592185211 672768591 /nfs/dbraw/zinc/76/85/91/672768591.db2.gz NJZDYNUTPCOOHE-CQSZACIVSA-N 1 0 361.320 2.104 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592392881 672797105 /nfs/dbraw/zinc/79/71/05/672797105.db2.gz BQKBQDBUHWOLAA-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO COc1ccc(CSCC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000237215142 672807879 /nfs/dbraw/zinc/80/78/79/672807879.db2.gz OMMQUTVRFVWDCE-UHFFFAOYSA-N 1 0 353.444 2.223 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061667 672870025 /nfs/dbraw/zinc/87/00/25/672870025.db2.gz KYBDYGLEZPBEPE-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593062662 672870279 /nfs/dbraw/zinc/87/02/79/672870279.db2.gz QOVGCOZSLKHHBA-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[N@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593249742 672898728 /nfs/dbraw/zinc/89/87/28/672898728.db2.gz KJVKWPQPSBNVFC-UHFFFAOYSA-N 1 0 351.451 2.342 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262098660 672908993 /nfs/dbraw/zinc/90/89/93/672908993.db2.gz VLGBZFROTPZXHU-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1C ZINC000593730961 672984401 /nfs/dbraw/zinc/98/44/01/672984401.db2.gz PMQYWLGICJYVLT-JSGCOSHPSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593918849 673008170 /nfs/dbraw/zinc/00/81/70/673008170.db2.gz KQGAHFVHUXSULW-YRGRVCCFSA-N 1 0 353.444 2.466 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594253666 673049391 /nfs/dbraw/zinc/04/93/91/673049391.db2.gz YQOGEJIOQGJEGU-VDISTLRHSA-N 1 0 354.838 2.430 20 5 FEBDRO COCC1(C2CCC2)C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000594716211 673121912 /nfs/dbraw/zinc/12/19/12/673121912.db2.gz MBHYAKBDDHZLLY-MRXNPFEDSA-N 1 0 350.415 2.083 20 5 FEBDRO O=C(CN1CCC(C2OCCO2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000726788855 673139717 /nfs/dbraw/zinc/13/97/17/673139717.db2.gz AODGSVZVTQLMCX-UHFFFAOYSA-N 1 0 369.805 2.272 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594792389 673144625 /nfs/dbraw/zinc/14/46/25/673144625.db2.gz QFKBLOJRWIQPHY-HNNXBMFYSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799275 673146606 /nfs/dbraw/zinc/14/66/06/673146606.db2.gz LMKURQAIJGLSEH-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1ccc(CNC(=S)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000727077978 673153772 /nfs/dbraw/zinc/15/37/72/673153772.db2.gz AJBBYGCMEHZXFE-UHFFFAOYSA-N 1 0 354.476 2.155 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595075196 673190829 /nfs/dbraw/zinc/19/08/29/673190829.db2.gz XHKQCQWTAKAUJO-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c(C)cc1[N+](=O)[O-] ZINC000595108542 673194340 /nfs/dbraw/zinc/19/43/40/673194340.db2.gz QICSBTTXJHHICV-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000595119289 673196871 /nfs/dbraw/zinc/19/68/71/673196871.db2.gz CPRVORVMHSSGQK-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO C[NH+](C)CC1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000729266245 673230569 /nfs/dbraw/zinc/23/05/69/673230569.db2.gz RHGBLNLBOIVMIV-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462573056 673264191 /nfs/dbraw/zinc/26/41/91/673264191.db2.gz HKRZTJCUFAYADL-HNNXBMFYSA-N 1 0 367.471 2.446 20 5 FEBDRO CN(CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000613537225 676133303 /nfs/dbraw/zinc/13/33/03/676133303.db2.gz XLXJYHZCLZVQKJ-HOCLYGCPSA-N 1 0 369.487 2.177 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596073942 673356455 /nfs/dbraw/zinc/35/64/55/673356455.db2.gz NDZNCRYXCLVIIW-UHFFFAOYSA-N 1 0 357.395 2.495 20 5 FEBDRO Cn1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000596131295 673361753 /nfs/dbraw/zinc/36/17/53/673361753.db2.gz LIDURLWXQVJZGB-UHFFFAOYSA-N 1 0 354.823 2.390 20 5 FEBDRO O=c1[nH]ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1[N+](=O)[O-] ZINC000596132302 673361861 /nfs/dbraw/zinc/36/18/61/673361861.db2.gz XIKDRNGNCLCLJI-UHFFFAOYSA-N 1 0 362.415 2.240 20 5 FEBDRO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000596479621 673388790 /nfs/dbraw/zinc/38/87/90/673388790.db2.gz OBVKNPAUTWBKQC-CYBMUJFWSA-N 1 0 368.459 2.061 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CCOCC2)C1 ZINC000597710869 673501409 /nfs/dbraw/zinc/50/14/09/673501409.db2.gz XPDRTIDXYAFMMW-OAHLLOKOSA-N 1 0 365.455 2.010 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000539809806 673507478 /nfs/dbraw/zinc/50/74/78/673507478.db2.gz HIPWASUGCINTSS-LBPRGKRZSA-N 1 0 354.838 2.432 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597926052 673518557 /nfs/dbraw/zinc/51/85/57/673518557.db2.gz TVFFVACOWAURNM-LLVKDONJSA-N 1 0 351.403 2.215 20 5 FEBDRO Nc1c(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000598537625 673580478 /nfs/dbraw/zinc/58/04/78/673580478.db2.gz KGQRQEFKSYDVQB-UHFFFAOYSA-N 1 0 350.394 2.168 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610408 673590065 /nfs/dbraw/zinc/59/00/65/673590065.db2.gz BDRPPIQIVTTXQY-ZFWWWQNUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000542745600 673601295 /nfs/dbraw/zinc/60/12/95/673601295.db2.gz WTCATIIMWYQALY-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598716114 673602900 /nfs/dbraw/zinc/60/29/00/673602900.db2.gz XNCBQXYIJJTZPS-DYEKYZERSA-N 1 0 355.460 2.206 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000598889106 673618897 /nfs/dbraw/zinc/61/88/97/673618897.db2.gz UJMBMLLJAHYOAK-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000598912831 673620804 /nfs/dbraw/zinc/62/08/04/673620804.db2.gz BATCXLBQKXULBD-LLVKDONJSA-N 1 0 368.821 2.467 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000599113068 673634296 /nfs/dbraw/zinc/63/42/96/673634296.db2.gz YDXWDRZOWKUJQE-GFCCVEGCSA-N 1 0 356.220 2.427 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000543626125 673657244 /nfs/dbraw/zinc/65/72/44/673657244.db2.gz XNHYXUSWALAFHA-ZDUSSCGKSA-N 1 0 355.460 2.307 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626120 673699106 /nfs/dbraw/zinc/69/91/06/673699106.db2.gz UISXUJPADZQSIN-JJHQXXDFSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626441 673699112 /nfs/dbraw/zinc/69/91/12/673699112.db2.gz VXMIPFQHEVHHDI-UWCDFFNFSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000599674902 673705058 /nfs/dbraw/zinc/70/50/58/673705058.db2.gz MWIBLGQXWSNGMO-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO O=[N+]([O-])c1ccc(OCc2cn(CCC[NH+]3CCSCC3)nn2)cc1 ZINC000600967754 673814734 /nfs/dbraw/zinc/81/47/34/673814734.db2.gz KHFZJCWUDVNAJQ-UHFFFAOYSA-N 1 0 363.443 2.204 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000546776435 673817688 /nfs/dbraw/zinc/81/76/88/673817688.db2.gz FNKUMNSTYORHAG-UKRRQHHQSA-N 1 0 355.460 2.229 20 5 FEBDRO C[C@@H]1C[NH+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@@H](C)O1 ZINC000601101043 673826003 /nfs/dbraw/zinc/82/60/03/673826003.db2.gz GHNJZHVLLJPLGT-NXEZZACHSA-N 1 0 365.356 2.258 20 5 FEBDRO CN1CC[C@H]([NH+]2CCC(Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1=O ZINC000601175801 673830924 /nfs/dbraw/zinc/83/09/24/673830924.db2.gz CEDGMXCXQZDNMQ-AWEZNQCLSA-N 1 0 352.822 2.355 20 5 FEBDRO CCC1([NH+](C)C)CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000601229348 673834393 /nfs/dbraw/zinc/83/43/93/673834393.db2.gz MXJMPJYXKNOXKL-UHFFFAOYSA-N 1 0 361.489 2.370 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000601341990 673845223 /nfs/dbraw/zinc/84/52/23/673845223.db2.gz NORAGMMXLSBKAO-QWHCGFSZSA-N 1 0 371.434 2.053 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000601422433 673860025 /nfs/dbraw/zinc/86/00/25/673860025.db2.gz VPXUKQYCGCKJLJ-INIZCTEOSA-N 1 0 371.434 2.149 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601497259 673870816 /nfs/dbraw/zinc/87/08/16/673870816.db2.gz SDVZVIGXGVMKCC-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000601503524 673872180 /nfs/dbraw/zinc/87/21/80/673872180.db2.gz JBNUIJJPWCFSMO-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000746571165 673884341 /nfs/dbraw/zinc/88/43/41/673884341.db2.gz SYUDUUVPYILLJZ-AWEZNQCLSA-N 1 0 353.394 2.307 20 5 FEBDRO C[C@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000602434315 673906105 /nfs/dbraw/zinc/90/61/05/673906105.db2.gz UZNNCDOBNNISRG-UWVGGRQHSA-N 1 0 356.220 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)COc2ccc(F)c(F)c2)cc1 ZINC000602541634 673907670 /nfs/dbraw/zinc/90/76/70/673907670.db2.gz QKDWZSSECKUVJZ-CQSZACIVSA-N 1 0 352.337 2.445 20 5 FEBDRO Cc1sc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000602581767 673908207 /nfs/dbraw/zinc/90/82/07/673908207.db2.gz KVOHIGFHJZEMEH-ZDUSSCGKSA-N 1 0 353.444 2.195 20 5 FEBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000602709052 673910126 /nfs/dbraw/zinc/91/01/26/673910126.db2.gz ZLQUJYIJRIFDDZ-NSHDSACASA-N 1 0 355.320 2.389 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@]2(O)CCOC2)cc1Br ZINC000602700037 673910259 /nfs/dbraw/zinc/91/02/59/673910259.db2.gz QXOJKTDLZPCXBX-NSHDSACASA-N 1 0 351.222 2.050 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602853441 673912294 /nfs/dbraw/zinc/91/22/94/673912294.db2.gz YKXJRZDHJCFVEM-TZMCWYRMSA-N 1 0 352.435 2.399 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987725 673914801 /nfs/dbraw/zinc/91/48/01/673914801.db2.gz PKZOJFXAWFDHSL-GBIKHYSHSA-N 1 0 361.320 2.024 20 5 FEBDRO [NH3+]CCSCc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603239367 673919814 /nfs/dbraw/zinc/91/98/14/673919814.db2.gz GVKOHJGEKWSPSH-UHFFFAOYSA-N 1 0 372.248 2.189 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000566687502 675235048 /nfs/dbraw/zinc/23/50/48/675235048.db2.gz KXPFDNMLYDDZBU-ZDUSSCGKSA-N 1 0 357.838 2.379 20 5 FEBDRO CCOc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000567005617 675259393 /nfs/dbraw/zinc/25/93/93/675259393.db2.gz NNWGGBPLTBEKOJ-LBPRGKRZSA-N 1 0 353.419 2.461 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819224357 675271307 /nfs/dbraw/zinc/27/13/07/675271307.db2.gz CJXHBWVGAWEEJH-RGDDUWESSA-N 1 0 351.403 2.299 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000823133839 675531526 /nfs/dbraw/zinc/53/15/26/675531526.db2.gz VYDWLJMVXNOACF-SNVBAGLBSA-N 1 0 354.794 2.031 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823277054 675541494 /nfs/dbraw/zinc/54/14/94/675541494.db2.gz QHKLDLSJPAEBFB-UHFFFAOYSA-N 1 0 354.382 2.154 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(-c3nc(N4CC[NH2+]CC4)no3)cs2)c1 ZINC000823315608 675544261 /nfs/dbraw/zinc/54/42/61/675544261.db2.gz NUTWGQMWPJYFMU-UHFFFAOYSA-N 1 0 358.383 2.178 20 5 FEBDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000824831187 675624228 /nfs/dbraw/zinc/62/42/28/675624228.db2.gz VMJWORRRIFXJCI-WCQYABFASA-N 1 0 357.332 2.437 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000825535814 675658043 /nfs/dbraw/zinc/65/80/43/675658043.db2.gz HABCRLURVSYWNU-UHFFFAOYSA-N 1 0 352.410 2.262 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825644196 675662175 /nfs/dbraw/zinc/66/21/75/675662175.db2.gz XRDAGTDIALJUQE-VXGBXAGGSA-N 1 0 353.806 2.150 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825878049 675672513 /nfs/dbraw/zinc/67/25/13/675672513.db2.gz ZHRYGRDNUSLQEW-GFCCVEGCSA-N 1 0 352.410 2.404 20 5 FEBDRO CC(C)(CCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[N+](=O)[O-] ZINC000828081192 675796686 /nfs/dbraw/zinc/79/66/86/675796686.db2.gz PPQKFNBMCOHTJM-UHFFFAOYSA-N 1 0 355.479 2.173 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000616091194 676239530 /nfs/dbraw/zinc/23/95/30/676239530.db2.gz RAAGDQOEWYJKJI-OCCSQVGLSA-N 1 0 352.387 2.051 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000619490802 676380854 /nfs/dbraw/zinc/38/08/54/676380854.db2.gz JAJLZJQUPOEZNJ-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC)[NH+](C)C ZINC000619498517 676381980 /nfs/dbraw/zinc/38/19/80/676381980.db2.gz SCVQOZQTCZKMRO-CQSZACIVSA-N 1 0 373.475 2.248 20 5 FEBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000830554441 677046895 /nfs/dbraw/zinc/04/68/95/677046895.db2.gz REPQCZHLHVUUPC-CQSZACIVSA-N 1 0 373.196 2.076 20 5 FEBDRO CC1(CCCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OCCO1 ZINC000838895232 680726234 /nfs/dbraw/zinc/72/62/34/680726234.db2.gz OWMNRTRGDRPXRD-AWEZNQCLSA-N 1 0 350.419 2.409 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000762358553 680748033 /nfs/dbraw/zinc/74/80/33/680748033.db2.gz LVQJWSHXSPIHKL-KGLIPLIRSA-N 1 0 372.878 2.164 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000839439164 680752929 /nfs/dbraw/zinc/75/29/29/680752929.db2.gz TZUIMLREBNUBQS-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839469829 680754636 /nfs/dbraw/zinc/75/46/36/680754636.db2.gz HWMOCLLNGBWNRQ-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO [NH3+]Cc1cn([C@@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)nn1 ZINC000841100154 680863296 /nfs/dbraw/zinc/86/32/96/680863296.db2.gz VUYUVIUOXWHHOZ-CQSZACIVSA-N 1 0 350.810 2.136 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000748098659 679930506 /nfs/dbraw/zinc/93/05/06/679930506.db2.gz KUWLQEQNBVWYKP-BZNIZROVSA-N 1 0 366.805 2.058 20 5 FEBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000831745597 680037234 /nfs/dbraw/zinc/03/72/34/680037234.db2.gz UBJMRHKJYARPJZ-LLVKDONJSA-N 1 0 374.235 2.054 20 5 FEBDRO C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000874094225 685294223 /nfs/dbraw/zinc/29/42/23/685294223.db2.gz BVFWTZLFIFSRLA-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000832644717 680158980 /nfs/dbraw/zinc/15/89/80/680158980.db2.gz BUMJYNXIMOHEKZ-CYBMUJFWSA-N 1 0 353.423 2.169 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@H+](C)C1 ZINC000832742460 680171578 /nfs/dbraw/zinc/17/15/78/680171578.db2.gz IHTPGWBTYHHQDX-NSHDSACASA-N 1 0 368.821 2.129 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832751195 680172247 /nfs/dbraw/zinc/17/22/47/680172247.db2.gz OKMYNIUYPCFMDI-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000833226084 680190900 /nfs/dbraw/zinc/19/09/00/680190900.db2.gz JOKKPORXXQXERS-SECBINFHSA-N 1 0 356.810 2.134 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1ccccc1Cl)C2 ZINC000981764906 680250639 /nfs/dbraw/zinc/25/06/39/680250639.db2.gz JQAFGMPGNYGNOD-GDBMZVCRSA-N 1 0 363.845 2.430 20 5 FEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000834886119 680279980 /nfs/dbraw/zinc/27/99/80/680279980.db2.gz IENGBCARRSUMOC-MRXNPFEDSA-N 1 0 356.444 2.229 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000834893074 680280962 /nfs/dbraw/zinc/28/09/62/680280962.db2.gz YJDXQBUPAIZTHP-ZDUSSCGKSA-N 1 0 356.444 2.148 20 5 FEBDRO O=C(C[NH2+][C@@H](CCO)c1cccs1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000754389990 680353498 /nfs/dbraw/zinc/35/34/98/680353498.db2.gz UICJFEIONRWGEB-AWEZNQCLSA-N 1 0 361.423 2.259 20 5 FEBDRO C[N@@H+](Cc1cccc(Cl)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964306 680394771 /nfs/dbraw/zinc/39/47/71/680394771.db2.gz DXKXMKDASRVNIB-HUUCEWRRSA-N 1 0 366.849 2.071 20 5 FEBDRO C[N@H+](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425760 680446930 /nfs/dbraw/zinc/44/69/30/680446930.db2.gz IBTIXLUSXCRONU-GDBMZVCRSA-N 1 0 353.369 2.053 20 5 FEBDRO Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)c(C)s1 ZINC001035708515 680451315 /nfs/dbraw/zinc/45/13/15/680451315.db2.gz WOJMTNJMWCEYDX-HZPDHXFCSA-N 1 0 363.483 2.455 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000836699002 680501710 /nfs/dbraw/zinc/50/17/10/680501710.db2.gz UTJFNMPPSGUCHX-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO O=C(NC1CC[NH+](Cc2cccc(C(F)F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789235 680508194 /nfs/dbraw/zinc/50/81/94/680508194.db2.gz SKLQFDRTPVGOSJ-HUUCEWRRSA-N 1 0 353.369 2.370 20 5 FEBDRO CC[C@H](CO)N1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836778866 680513077 /nfs/dbraw/zinc/51/30/77/680513077.db2.gz KIJZHRRCERYSPI-GFCCVEGCSA-N 1 0 355.822 2.085 20 5 FEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837303116 680584921 /nfs/dbraw/zinc/58/49/21/680584921.db2.gz VOKASODMLWUNRL-CBAPKCEASA-N 1 0 360.183 2.448 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160271 680866725 /nfs/dbraw/zinc/86/67/25/680866725.db2.gz BIBGUKUUFQGHJT-KWQFWETISA-N 1 0 357.208 2.477 20 5 FEBDRO [NH3+]C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1 ZINC000841177405 680867574 /nfs/dbraw/zinc/86/75/74/680867574.db2.gz SEXSHMBIIATCBT-AWEZNQCLSA-N 1 0 368.821 2.211 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000841335946 680873705 /nfs/dbraw/zinc/87/37/05/680873705.db2.gz XXQBCSXJUXSTMG-JTQLQIEISA-N 1 0 354.716 2.327 20 5 FEBDRO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000766458733 680877677 /nfs/dbraw/zinc/87/76/77/680877677.db2.gz KCYIPFXOEKWECI-CQSZACIVSA-N 1 0 373.203 2.169 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000768712224 680955804 /nfs/dbraw/zinc/95/58/04/680955804.db2.gz NZVYVWKXLDAQQY-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000842689454 680959695 /nfs/dbraw/zinc/95/96/95/680959695.db2.gz GJXSMQGPAAJBQG-CMPLNLGQSA-N 1 0 361.851 2.447 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842895308 680974031 /nfs/dbraw/zinc/97/40/31/680974031.db2.gz MPPOZXFSZNSGEJ-NSHDSACASA-N 1 0 361.851 2.367 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000842893114 680974046 /nfs/dbraw/zinc/97/40/46/680974046.db2.gz JYEMBRDNNIFMTO-NEPJUHHUSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000842895713 680974229 /nfs/dbraw/zinc/97/42/29/680974229.db2.gz PIRIDZWKRMWIJV-NSHDSACASA-N 1 0 361.851 2.367 20 5 FEBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000843099165 680987639 /nfs/dbraw/zinc/98/76/39/680987639.db2.gz CJUTXSVDAJLWOV-DOMZBBRYSA-N 1 0 368.411 2.063 20 5 FEBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843104324 680987867 /nfs/dbraw/zinc/98/78/67/680987867.db2.gz FXTMHIZSOVEPRV-INWMFGNUSA-N 1 0 366.439 2.498 20 5 FEBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000770406886 681015278 /nfs/dbraw/zinc/01/52/78/681015278.db2.gz CTVMZTNKLMULSL-UHFFFAOYSA-N 1 0 354.428 2.322 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000912596371 685402912 /nfs/dbraw/zinc/40/29/12/685402912.db2.gz OVADJSXQQBUOLL-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000912587842 685400679 /nfs/dbraw/zinc/40/06/79/685400679.db2.gz YRICASPBOXPVIN-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000772156654 681087986 /nfs/dbraw/zinc/08/79/86/681087986.db2.gz SDYDITLJCUWUES-OLZOCXBDSA-N 1 0 353.806 2.150 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912605182 685405744 /nfs/dbraw/zinc/40/57/44/685405744.db2.gz HOOYQKTVSFIQKN-UHFFFAOYSA-N 1 0 355.460 2.093 20 5 FEBDRO COc1cccc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000774096010 681168315 /nfs/dbraw/zinc/16/83/15/681168315.db2.gz NPBFBUWMVLMQHQ-CYBMUJFWSA-N 1 0 352.387 2.117 20 5 FEBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774154270 681170599 /nfs/dbraw/zinc/17/05/99/681170599.db2.gz DKXRSFQXOVVGRY-CHWSQXEVSA-N 1 0 353.423 2.389 20 5 FEBDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000774170291 681171252 /nfs/dbraw/zinc/17/12/52/681171252.db2.gz YEIWFDTWIUOKNZ-IHRRRGAJSA-N 1 0 351.407 2.095 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000846693690 681276315 /nfs/dbraw/zinc/27/63/15/681276315.db2.gz JGXVKCHDDVTELM-ZWNOBZJWSA-N 1 0 350.375 2.401 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000933872241 681477544 /nfs/dbraw/zinc/47/75/44/681477544.db2.gz MDUSGIFGUMRUPN-YOEHRIQHSA-N 1 0 350.415 2.416 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352524 681527914 /nfs/dbraw/zinc/52/79/14/681527914.db2.gz QHSYCRUUUQBSHO-YPMHNXCESA-N 1 0 361.427 2.346 20 5 FEBDRO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912902058 685466055 /nfs/dbraw/zinc/46/60/55/685466055.db2.gz IWUAATJEVWUITN-GFCCVEGCSA-N 1 0 368.231 2.206 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000780721228 681866007 /nfs/dbraw/zinc/86/60/07/681866007.db2.gz YNUZDBFYJMSDMK-ZDUSSCGKSA-N 1 0 355.460 2.310 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850551266 681915605 /nfs/dbraw/zinc/91/56/05/681915605.db2.gz UNELLOMGMHFTGR-JTQLQIEISA-N 1 0 368.821 2.176 20 5 FEBDRO CC[N@@H+](Cc1ncc(C)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713178 681918875 /nfs/dbraw/zinc/91/88/75/681918875.db2.gz QHKZARLEQBHQMR-HUUCEWRRSA-N 1 0 366.487 2.177 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000850590045 681921257 /nfs/dbraw/zinc/92/12/57/681921257.db2.gz TZQMYKSBURFYMD-ZDUSSCGKSA-N 1 0 371.434 2.134 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000850591615 681921845 /nfs/dbraw/zinc/92/18/45/681921845.db2.gz AKNOHJMEWZIPOQ-LLVKDONJSA-N 1 0 359.835 2.201 20 5 FEBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345553 682031050 /nfs/dbraw/zinc/03/10/50/682031050.db2.gz QRQMYLAEUUMHEG-CQSZACIVSA-N 1 0 356.810 2.356 20 5 FEBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351368 682265090 /nfs/dbraw/zinc/26/50/90/682265090.db2.gz MZPJBYCLKISCNU-KCPJHIHWSA-N 1 0 353.375 2.159 20 5 FEBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351367 682265160 /nfs/dbraw/zinc/26/51/60/682265160.db2.gz MZPJBYCLKISCNU-GLQYFDAESA-N 1 0 353.375 2.159 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000853052416 682368841 /nfs/dbraw/zinc/36/88/41/682368841.db2.gz SWPPYPXYQSBLKH-HNNXBMFYSA-N 1 0 352.460 2.334 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1F ZINC000918368075 685538823 /nfs/dbraw/zinc/53/88/23/685538823.db2.gz CZDPNEWLKUEKPG-HOTGVXAUSA-N 1 0 371.434 2.005 20 5 FEBDRO O=[N+]([O-])c1cn(CN2CCS[C@@H]3COCC[C@H]32)nc1-c1ccccn1 ZINC000853503996 682424576 /nfs/dbraw/zinc/42/45/76/682424576.db2.gz XGAOJCWYOWEOTK-UKRRQHHQSA-N 1 0 361.427 2.017 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855163117 682634325 /nfs/dbraw/zinc/63/43/25/682634325.db2.gz SPHIJWAOOYVVGF-LBPRGKRZSA-N 1 0 350.375 2.414 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000790265621 682663384 /nfs/dbraw/zinc/66/33/84/682663384.db2.gz NNFBRECQIDGEBD-JQWIXIFHSA-N 1 0 369.805 2.310 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000791210454 682728607 /nfs/dbraw/zinc/72/86/07/682728607.db2.gz JOKRMVRUXRGNCF-UHFFFAOYSA-N 1 0 352.410 2.406 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791337876 682736054 /nfs/dbraw/zinc/73/60/54/682736054.db2.gz XQFNFAXHNKGOAX-IJLUTSLNSA-N 1 0 352.410 2.412 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000856428741 682780871 /nfs/dbraw/zinc/78/08/71/682780871.db2.gz DPZAXYYICDTVAK-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766639 682911057 /nfs/dbraw/zinc/91/10/57/682911057.db2.gz SSCKQQOQEMPAJQ-QJPTWQEYSA-N 1 0 355.341 2.071 20 5 FEBDRO O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767911 682911074 /nfs/dbraw/zinc/91/10/74/682911074.db2.gz JXJAIEGLWAAQHB-OAHLLOKOSA-N 1 0 355.341 2.169 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000858615314 682985297 /nfs/dbraw/zinc/98/52/97/682985297.db2.gz HCLVBVAYLZTIMV-ZDUSSCGKSA-N 1 0 361.851 2.175 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000796512583 683167008 /nfs/dbraw/zinc/16/70/08/683167008.db2.gz FFOJHBADPXGKQX-CYBMUJFWSA-N 1 0 361.851 2.152 20 5 FEBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000797604187 683261164 /nfs/dbraw/zinc/26/11/64/683261164.db2.gz ASJZPKNQIXUGPJ-CQSZACIVSA-N 1 0 356.220 2.315 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798201473 683319995 /nfs/dbraw/zinc/31/99/95/683319995.db2.gz UAJZHMMHHQABNW-LBPRGKRZSA-N 1 0 358.826 2.463 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798297875 683332940 /nfs/dbraw/zinc/33/29/40/683332940.db2.gz SZZJVDIUJCJAIR-VHSXEESVSA-N 1 0 371.235 2.355 20 5 FEBDRO COc1cc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351985 683395626 /nfs/dbraw/zinc/39/56/26/683395626.db2.gz LIKJBBYRSMZKKZ-DYVFJYSZSA-N 1 0 352.387 2.178 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000921129510 683399422 /nfs/dbraw/zinc/39/94/22/683399422.db2.gz ZGNHZKNJBNMZEU-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000928438451 683451410 /nfs/dbraw/zinc/45/14/10/683451410.db2.gz JXLISZQOJFBOOE-XVKPBYJWSA-N 1 0 360.183 2.319 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455807 683455257 /nfs/dbraw/zinc/45/52/57/683455257.db2.gz UKMFVGGJMKPOCH-WPRPVWTQSA-N 1 0 359.329 2.027 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862032564 683519568 /nfs/dbraw/zinc/51/95/68/683519568.db2.gz USZIWWNPBCLEBG-LLVKDONJSA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000929212168 683562888 /nfs/dbraw/zinc/56/28/88/683562888.db2.gz NWNONXWUBPYVDR-ZIAGYGMSSA-N 1 0 368.821 2.311 20 5 FEBDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000862487654 683595218 /nfs/dbraw/zinc/59/52/18/683595218.db2.gz SRPHMAUCOYVKHE-CYBMUJFWSA-N 1 0 350.371 2.354 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862790840 683634134 /nfs/dbraw/zinc/63/41/34/683634134.db2.gz AETBUCMAHQIXFC-LBPRGKRZSA-N 1 0 350.375 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCC3(CC2)OCCO3)c1 ZINC000922623132 683756631 /nfs/dbraw/zinc/75/66/31/683756631.db2.gz HAOMLMJEANLRTB-UHFFFAOYSA-N 1 0 356.806 2.386 20 5 FEBDRO CS[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1[NH+]1CCCC1 ZINC000865685980 684014389 /nfs/dbraw/zinc/01/43/89/684014389.db2.gz ZYDIPFISIXODEL-CVEARBPZSA-N 1 0 355.435 2.242 20 5 FEBDRO COc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c(F)cc1[N+](=O)[O-] ZINC000866256593 684086475 /nfs/dbraw/zinc/08/64/75/684086475.db2.gz AEYHAGXZKOAUOA-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866342365 684093237 /nfs/dbraw/zinc/09/32/37/684093237.db2.gz FQIKLMLIDUJLLX-SRCQZFHVSA-N 1 0 356.394 2.075 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000866863722 684170516 /nfs/dbraw/zinc/17/05/16/684170516.db2.gz SIMXRRRMPOHUHI-VXGBXAGGSA-N 1 0 359.423 2.146 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434827 684282854 /nfs/dbraw/zinc/28/28/54/684282854.db2.gz XYWNVDYGCVFUHG-RWMBFGLXSA-N 1 0 366.849 2.459 20 5 FEBDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000931849162 684355831 /nfs/dbraw/zinc/35/58/31/684355831.db2.gz XKVLVMVCKXOZNW-LSDHHAIUSA-N 1 0 350.419 2.091 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815190 684397958 /nfs/dbraw/zinc/39/79/58/684397958.db2.gz YVCNHQJSXBJMTH-BXUZGUMPSA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762122 684583250 /nfs/dbraw/zinc/58/32/50/684583250.db2.gz HPFMFHDDROEHLU-XDTLVQLUSA-N 1 0 358.236 2.199 20 5 FEBDRO CC(C)[NH+]1CCC(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000870959082 684775784 /nfs/dbraw/zinc/77/57/84/684775784.db2.gz SSHPMOISCGUZKQ-UHFFFAOYSA-N 1 0 351.451 2.153 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCN(C(C)=O)CC1 ZINC000872021320 684915999 /nfs/dbraw/zinc/91/59/99/684915999.db2.gz BJLIOLISNGRRCT-ZDUSSCGKSA-N 1 0 366.487 2.131 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC23CCOCC3)c1 ZINC000872229039 684929627 /nfs/dbraw/zinc/92/96/27/684929627.db2.gz MILYVMUYGJLOHB-HOCLYGCPSA-N 1 0 350.415 2.131 20 5 FEBDRO Cc1cc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000872656051 684997405 /nfs/dbraw/zinc/99/74/05/684997405.db2.gz RCTWCKWSNULOSG-OLZOCXBDSA-N 1 0 361.423 2.322 20 5 FEBDRO [NH3+]CC12CCC(CC1)N2C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000877184947 686337240 /nfs/dbraw/zinc/33/72/40/686337240.db2.gz UMWDYDMDHYOAON-UHFFFAOYSA-N 1 0 354.204 2.453 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000877280837 686347888 /nfs/dbraw/zinc/34/78/88/686347888.db2.gz JGHWFWVZALTLLV-UONOGXRCSA-N 1 0 365.455 2.190 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)OCCO2 ZINC000883365732 687614735 /nfs/dbraw/zinc/61/47/35/687614735.db2.gz GFAAOWQTLLBRDM-LLVKDONJSA-N 1 0 372.246 2.014 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884951090 687971858 /nfs/dbraw/zinc/97/18/58/687971858.db2.gz XLWPVQBSUWOEJI-RYUDHWBXSA-N 1 0 359.835 2.153 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000885457154 688077838 /nfs/dbraw/zinc/07/78/38/688077838.db2.gz NMBSQRRDBDJNBT-WBVHZDCISA-N 1 0 367.471 2.026 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000885457358 688077948 /nfs/dbraw/zinc/07/79/48/688077948.db2.gz SANJJDLUZGTNMT-KGLIPLIRSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564341 688275772 /nfs/dbraw/zinc/27/57/72/688275772.db2.gz TYMBQHRWZFIJPK-TXEJJXNPSA-N 1 0 351.428 2.227 20 5 FEBDRO O=C(CC[N@H+]1CC[C@](CO)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886804564 688315374 /nfs/dbraw/zinc/31/53/74/688315374.db2.gz ZTOBCUZDNOJJOD-AWEZNQCLSA-N 1 0 361.320 2.170 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886804325 688315609 /nfs/dbraw/zinc/31/56/09/688315609.db2.gz VOVCFVISPKFLHP-CQSZACIVSA-N 1 0 361.320 2.170 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000892097795 689149400 /nfs/dbraw/zinc/14/94/00/689149400.db2.gz RJVIWCFLXAJSAU-SKDRFNHKSA-N 1 0 371.235 2.297 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000893021305 689282324 /nfs/dbraw/zinc/28/23/24/689282324.db2.gz BHAZJQWRVKIESO-ZFWWWQNUSA-N 1 0 351.451 2.211 20 5 FEBDRO C[NH+](C)CC1(O)CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000894957675 689628936 /nfs/dbraw/zinc/62/89/36/689628936.db2.gz YAFLCQRZTXZQTQ-UHFFFAOYSA-N 1 0 358.236 2.250 20 5 FEBDRO C[C@](CO)([NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000895752452 689766235 /nfs/dbraw/zinc/76/62/35/689766235.db2.gz JCFCRIQDRVQYLZ-ARFHVFGLSA-N 1 0 354.378 2.026 20 5 FEBDRO COc1c(O)ccc(C[NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC000896878554 689943208 /nfs/dbraw/zinc/94/32/08/689943208.db2.gz IRTSJISFVXRGAH-LLVKDONJSA-N 1 0 351.325 2.281 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220391 689990221 /nfs/dbraw/zinc/99/02/21/689990221.db2.gz AHYOLOKMHZEZCQ-QWHCGFSZSA-N 1 0 370.247 2.393 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901141314 690618101 /nfs/dbraw/zinc/61/81/01/690618101.db2.gz XFUZZAMHPBVKJR-GFCCVEGCSA-N 1 0 373.812 2.354 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)c1C ZINC000903203510 690865729 /nfs/dbraw/zinc/86/57/29/690865729.db2.gz URSSYWNQCZSLRO-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000905359690 691108373 /nfs/dbraw/zinc/10/83/73/691108373.db2.gz NONFVPJDEXRODU-HNNXBMFYSA-N 1 0 371.434 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905425264 691117408 /nfs/dbraw/zinc/11/74/08/691117408.db2.gz OXNNNOCIONFWDI-DLBZAZTESA-N 1 0 350.415 2.194 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)c1 ZINC000905473018 691122904 /nfs/dbraw/zinc/12/29/04/691122904.db2.gz ITLJWJCDYVHMGE-GFCCVEGCSA-N 1 0 359.213 2.291 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000905477776 691123765 /nfs/dbraw/zinc/12/37/65/691123765.db2.gz HJSPQOODOSOLBX-OAHLLOKOSA-N 1 0 368.455 2.307 20 5 FEBDRO C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)O2)[C@H]1C ZINC000905487955 691125021 /nfs/dbraw/zinc/12/50/21/691125021.db2.gz VMYPRUPIHMABJZ-RGYORQFESA-N 1 0 350.415 2.190 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000905566085 691142231 /nfs/dbraw/zinc/14/22/31/691142231.db2.gz KKVBNTUHECPJPO-ZDUSSCGKSA-N 1 0 363.439 2.460 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCC[NH+]1CCC(O)CC1 ZINC000906737291 691308848 /nfs/dbraw/zinc/30/88/48/691308848.db2.gz CFMNJPYBFAWUAZ-UHFFFAOYSA-N 1 0 369.849 2.144 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000907144889 691406794 /nfs/dbraw/zinc/40/67/94/691406794.db2.gz RQQFTGHNTRROMM-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000908205102 691637360 /nfs/dbraw/zinc/63/73/60/691637360.db2.gz VHOWQPMCIHVNQZ-SNVBAGLBSA-N 1 0 362.213 2.088 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000908612445 691704948 /nfs/dbraw/zinc/70/49/48/691704948.db2.gz LDAYSWQIBINNNL-UHFFFAOYSA-N 1 0 373.812 2.352 20 5 FEBDRO Cc1c(C)c(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001164684733 719626056 /nfs/dbraw/zinc/62/60/56/719626056.db2.gz XCAPIVDVEVPQJK-UHFFFAOYSA-N 1 0 358.446 2.278 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928546 721858357 /nfs/dbraw/zinc/85/83/57/721858357.db2.gz OEYCUIHQQQOYRW-OLZOCXBDSA-N 1 0 353.854 2.166 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164927595 721858740 /nfs/dbraw/zinc/85/87/40/721858740.db2.gz LNUSJQTVQYUVSL-KBPBESRZSA-N 1 0 353.854 2.166 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCC[NH+]1CCCC1 ZINC000800198715 674032627 /nfs/dbraw/zinc/03/26/27/674032627.db2.gz WSEGZNZXEHICJP-UHFFFAOYSA-N 1 0 351.359 2.465 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956434 210199604 /nfs/dbraw/zinc/19/96/04/210199604.db2.gz KSYVRFDCKIDOLT-ZIAGYGMSSA-N 1 0 361.423 2.403 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010082042 539512744 /nfs/dbraw/zinc/51/27/44/539512744.db2.gz WVEWWRTZHLBBJN-INIZCTEOSA-N 1 0 374.372 2.092 20 5 FEBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CCCCCC1 ZINC000021791034 539687180 /nfs/dbraw/zinc/68/71/80/539687180.db2.gz SLGKOEILSCVFOQ-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000029155838 539844563 /nfs/dbraw/zinc/84/45/63/539844563.db2.gz JHJBRGLTRYNOAV-UHFFFAOYSA-N 1 0 372.425 2.126 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000031464439 539908562 /nfs/dbraw/zinc/90/85/62/539908562.db2.gz XTWGGGSVNLFHBP-UHFFFAOYSA-N 1 0 362.411 2.200 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032441180 539938903 /nfs/dbraw/zinc/93/89/03/539938903.db2.gz AXNHIQRLIYIYAY-QWHCGFSZSA-N 1 0 371.459 2.145 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744924 540225251 /nfs/dbraw/zinc/22/52/51/540225251.db2.gz NCIKSWNPHJFTQV-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000046996634 540283671 /nfs/dbraw/zinc/28/36/71/540283671.db2.gz UBQMBVQELQTORQ-UONOGXRCSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000047147638 540292336 /nfs/dbraw/zinc/29/23/36/540292336.db2.gz ZRWRUGFRDSYSGO-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052002119 540450827 /nfs/dbraw/zinc/45/08/27/540450827.db2.gz CXXLCSDPDKJZEQ-GOSISDBHSA-N 1 0 363.458 2.285 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000052101454 540453939 /nfs/dbraw/zinc/45/39/39/540453939.db2.gz WKCPFXAYODNAGO-OLZOCXBDSA-N 1 0 370.475 2.178 20 5 FEBDRO O=C(Nc1cnccn1)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054250831 540577838 /nfs/dbraw/zinc/57/78/38/540577838.db2.gz KPYWACKHSKEDHK-UHFFFAOYSA-N 1 0 355.398 2.278 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000055281050 540642768 /nfs/dbraw/zinc/64/27/68/540642768.db2.gz FZPUWVVYUQHDFR-ZDUSSCGKSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1cc(C)cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000065978336 541275991 /nfs/dbraw/zinc/27/59/91/541275991.db2.gz PPSBFOOIRLHDLC-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396314 541313907 /nfs/dbraw/zinc/31/39/07/541313907.db2.gz BWPFOYRWYIDWRI-LFAOLKIESA-N 1 0 359.426 2.320 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067105056 541418675 /nfs/dbraw/zinc/41/86/75/541418675.db2.gz RARIBOGNJLGILA-UHFFFAOYSA-N 1 0 363.414 2.362 20 5 FEBDRO C[NH+](C)Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000067135575 541422468 /nfs/dbraw/zinc/42/24/68/541422468.db2.gz ZATNVNRYYALLDK-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067487059 541470901 /nfs/dbraw/zinc/47/09/01/541470901.db2.gz VOVFURJYQIBUCX-HNNXBMFYSA-N 1 0 350.419 2.118 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067706482 541502233 /nfs/dbraw/zinc/50/22/33/541502233.db2.gz DLQIFYTYAOCVIK-MRXNPFEDSA-N 1 0 354.410 2.397 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000068210672 541563626 /nfs/dbraw/zinc/56/36/26/541563626.db2.gz LBJFXEBFWLIIOA-KBPBESRZSA-N 1 0 351.451 2.054 20 5 FEBDRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000068291012 541572376 /nfs/dbraw/zinc/57/23/76/541572376.db2.gz ZXZVPTCJAMQKRU-AWEZNQCLSA-N 1 0 363.414 2.024 20 5 FEBDRO C[N@H+](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000068305469 541574721 /nfs/dbraw/zinc/57/47/21/541574721.db2.gz OFDJKBNYRIOZLT-UHFFFAOYSA-N 1 0 371.393 2.034 20 5 FEBDRO C[C@@H](CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000068308830 541574747 /nfs/dbraw/zinc/57/47/47/541574747.db2.gz HAERVBBJLIDBFF-AWEZNQCLSA-N 1 0 363.414 2.023 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068311238 541575115 /nfs/dbraw/zinc/57/51/15/541575115.db2.gz LNZYTHCADKOGKE-CQSZACIVSA-N 1 0 363.393 2.442 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069298934 541675875 /nfs/dbraw/zinc/67/58/75/541675875.db2.gz OBRGDYAAGSUEJR-CQSZACIVSA-N 1 0 350.419 2.003 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000069383320 541681755 /nfs/dbraw/zinc/68/17/55/541681755.db2.gz FTTKJZUCHFKQMY-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000071895881 541774607 /nfs/dbraw/zinc/77/46/07/541774607.db2.gz VEPRRXWNQCTPRI-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(C)(C)C[NH+](C)C ZINC000826069408 675680654 /nfs/dbraw/zinc/68/06/54/675680654.db2.gz XSVCNRQPCQFALV-VIFPVBQESA-N 1 0 373.251 2.458 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072823637 541873625 /nfs/dbraw/zinc/87/36/25/541873625.db2.gz UDBBGTWPSXFUEG-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072859025 541884036 /nfs/dbraw/zinc/88/40/36/541884036.db2.gz UFCSXYZGBVYYQV-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000073108843 541919855 /nfs/dbraw/zinc/91/98/55/541919855.db2.gz QCWXDIQYSGQIDP-AWEZNQCLSA-N 1 0 370.409 2.137 20 5 FEBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000073204613 541929071 /nfs/dbraw/zinc/92/90/71/541929071.db2.gz YHPKJAMCTIVXCO-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC2([NH+](C)C)CCCCC2)c([N+](=O)[O-])c1 ZINC000073436471 541954189 /nfs/dbraw/zinc/95/41/89/541954189.db2.gz HVWPGTRKSZTSAG-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000074136923 542042250 /nfs/dbraw/zinc/04/22/50/542042250.db2.gz DICKVPWVNHLBHI-MRXNPFEDSA-N 1 0 365.430 2.478 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000077322881 542366951 /nfs/dbraw/zinc/36/69/51/542366951.db2.gz FJOIVIFTRZXZNY-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[N@H+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000077361711 542373044 /nfs/dbraw/zinc/37/30/44/542373044.db2.gz ACRWERQAOBBNSO-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000077451415 542383182 /nfs/dbraw/zinc/38/31/82/542383182.db2.gz UYXHMYRFWVTIHW-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000077510443 542390415 /nfs/dbraw/zinc/39/04/15/542390415.db2.gz OMAYTLXLTJRDRD-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO O=c1[nH]cnc2cc(N3CCC[N@@H+](C4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000077994924 542436853 /nfs/dbraw/zinc/43/68/53/542436853.db2.gz ZMFBGPDOUJHUDS-UHFFFAOYSA-N 1 0 357.414 2.286 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000079653545 542534683 /nfs/dbraw/zinc/53/46/83/542534683.db2.gz KAXDZRKJSPKIQU-UHFFFAOYSA-N 1 0 365.478 2.401 20 5 FEBDRO Cc1cnc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000080248284 542578426 /nfs/dbraw/zinc/57/84/26/542578426.db2.gz NAMULBDVTNBMKI-UHFFFAOYSA-N 1 0 363.462 2.337 20 5 FEBDRO CN(C(=O)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000081631848 542669259 /nfs/dbraw/zinc/66/92/59/542669259.db2.gz KPTQUTLROFBIJN-INIZCTEOSA-N 1 0 360.458 2.221 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(Sc2nnc([C@H]3CCC[NH2+]C3)n2C)c1 ZINC000092655501 542878310 /nfs/dbraw/zinc/87/83/10/542878310.db2.gz AODBNRQUPHCPAF-VIFPVBQESA-N 1 0 367.406 2.489 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000098098375 543020852 /nfs/dbraw/zinc/02/08/52/543020852.db2.gz FWYUVLUMGDBCFQ-OAHLLOKOSA-N 1 0 357.414 2.031 20 5 FEBDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104672758 543136510 /nfs/dbraw/zinc/13/65/10/543136510.db2.gz QZADNAMZLAOWSQ-OAHLLOKOSA-N 1 0 358.398 2.393 20 5 FEBDRO Cn1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000106364099 543225675 /nfs/dbraw/zinc/22/56/75/543225675.db2.gz XSESOEDERAWZCS-OAHLLOKOSA-N 1 0 357.414 2.162 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000106864452 543250521 /nfs/dbraw/zinc/25/05/21/543250521.db2.gz FAKFZRXLOMVLEM-WFASDCNBSA-N 1 0 351.403 2.167 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000107707521 543277009 /nfs/dbraw/zinc/27/70/09/543277009.db2.gz XNZTVCZCWWVCHD-AWEZNQCLSA-N 1 0 371.434 2.373 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000111348312 543398186 /nfs/dbraw/zinc/39/81/86/543398186.db2.gz UXXBMKDALNRIQU-LBPRGKRZSA-N 1 0 369.468 2.455 20 5 FEBDRO CC[N@H+](C)CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000112926318 543469140 /nfs/dbraw/zinc/46/91/40/543469140.db2.gz FXKBSXGBMLDYPZ-UHFFFAOYSA-N 1 0 359.430 2.138 20 5 FEBDRO CNC(=O)CC[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000114215958 543508243 /nfs/dbraw/zinc/50/82/43/543508243.db2.gz ACQQKQDMXAJKJA-UHFFFAOYSA-N 1 0 373.409 2.408 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000115439336 543567769 /nfs/dbraw/zinc/56/77/69/543567769.db2.gz DAXAFSFTSLENQM-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115586001 543575933 /nfs/dbraw/zinc/57/59/33/543575933.db2.gz OCUSKFNDYACBAN-ZDUSSCGKSA-N 1 0 355.460 2.120 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000117636722 543636825 /nfs/dbraw/zinc/63/68/25/543636825.db2.gz DPAUTISENNAFLP-UHFFFAOYSA-N 1 0 351.794 2.188 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccccc1 ZINC000125038481 543857154 /nfs/dbraw/zinc/85/71/54/543857154.db2.gz QXQLYQTUHUZNSY-AWEZNQCLSA-N 1 0 360.389 2.219 20 5 FEBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000125011296 543855958 /nfs/dbraw/zinc/85/59/58/543855958.db2.gz GURYUPBGNSHHCO-UKRRQHHQSA-N 1 0 371.397 2.135 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000126039211 543914648 /nfs/dbraw/zinc/91/46/48/543914648.db2.gz ODTPTIVZBOESFY-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000129807898 544128095 /nfs/dbraw/zinc/12/80/95/544128095.db2.gz MDMJQVSNPNYYMM-UHFFFAOYSA-N 1 0 371.384 2.493 20 5 FEBDRO CS(=O)(=O)N1CCC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130871931 544168753 /nfs/dbraw/zinc/16/87/53/544168753.db2.gz OAICKXCNOWREJV-HNNXBMFYSA-N 1 0 367.471 2.231 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131579194 544196808 /nfs/dbraw/zinc/19/68/08/544196808.db2.gz YTTOMKNCSPYRLR-KDOFPFPSSA-N 1 0 350.415 2.146 20 5 FEBDRO C[C@@H]1C[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000131960982 544213588 /nfs/dbraw/zinc/21/35/88/544213588.db2.gz OMLBRBLDAXLLEB-WBVHZDCISA-N 1 0 371.441 2.208 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000134927834 544327406 /nfs/dbraw/zinc/32/74/06/544327406.db2.gz GPKJZYKTJWUSDW-INIZCTEOSA-N 1 0 368.865 2.250 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134934800 544328347 /nfs/dbraw/zinc/32/83/47/544328347.db2.gz DNUFXIHFXCFHPH-UHFFFAOYSA-N 1 0 368.865 2.252 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136414170 544372869 /nfs/dbraw/zinc/37/28/69/544372869.db2.gz UYTZJNGRWQCFMZ-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136028007 544364827 /nfs/dbraw/zinc/36/48/27/544364827.db2.gz ROPWFSNBULMBDN-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000148164799 544449236 /nfs/dbraw/zinc/44/92/36/544449236.db2.gz MQTJDWHRSBQTPY-UHFFFAOYSA-N 1 0 355.398 2.218 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151770869 544577951 /nfs/dbraw/zinc/57/79/51/544577951.db2.gz OGHWEGAFEWECAL-UHFFFAOYSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000153960859 544845144 /nfs/dbraw/zinc/84/51/44/544845144.db2.gz NTJACHNJXPQNIX-OAHLLOKOSA-N 1 0 371.441 2.488 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)cc([N+](=O)[O-])c1F ZINC000154289498 544886416 /nfs/dbraw/zinc/88/64/16/544886416.db2.gz KZLOOQPSULTKEA-CYBMUJFWSA-N 1 0 371.390 2.217 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OCCCO)CC1 ZINC000154849896 544957540 /nfs/dbraw/zinc/95/75/40/544957540.db2.gz JOEKSQBIJMMBLB-UHFFFAOYSA-N 1 0 365.430 2.095 20 5 FEBDRO COCC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000154878591 544961197 /nfs/dbraw/zinc/96/11/97/544961197.db2.gz PNUUOTRUQDIZMC-UHFFFAOYSA-N 1 0 360.208 2.310 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000179882688 327663135 /nfs/dbraw/zinc/66/31/35/327663135.db2.gz XVLBQVZWBGGJNY-LBPRGKRZSA-N 1 0 351.403 2.337 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000181258492 327722548 /nfs/dbraw/zinc/72/25/48/327722548.db2.gz ZXCRHWWFJFJVKA-CQSZACIVSA-N 1 0 361.398 2.414 20 5 FEBDRO CC(C)COC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181566595 327736459 /nfs/dbraw/zinc/73/64/59/327736459.db2.gz DDJINWYUGZCCCZ-OAHLLOKOSA-N 1 0 352.431 2.472 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184822790 327884797 /nfs/dbraw/zinc/88/47/97/327884797.db2.gz WLEVIUJDKWMDIA-UHFFFAOYSA-N 1 0 355.460 2.088 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000185093404 327899262 /nfs/dbraw/zinc/89/92/62/327899262.db2.gz ZFBJABHCOQCVKX-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186763485 327980994 /nfs/dbraw/zinc/98/09/94/327980994.db2.gz FQUDZSPWUUBWPG-INIZCTEOSA-N 1 0 356.382 2.262 20 5 FEBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187525187 328031567 /nfs/dbraw/zinc/03/15/67/328031567.db2.gz FESCGQZJXUKAEU-SFHVURJKSA-N 1 0 365.430 2.417 20 5 FEBDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188079719 328064668 /nfs/dbraw/zinc/06/46/68/328064668.db2.gz ZMZOTXQHFZVCAS-HXUWFJFHSA-N 1 0 369.421 2.304 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000188973883 328121029 /nfs/dbraw/zinc/12/10/29/328121029.db2.gz TXMFUBUEMPINLL-GXFFZTMASA-N 1 0 351.309 2.342 20 5 FEBDRO O=C(CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189015342 328123506 /nfs/dbraw/zinc/12/35/06/328123506.db2.gz WZQCZMAXLVXACO-GTKHYJCHSA-N 1 0 351.378 2.155 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(Cl)c1 ZINC000189214417 328135282 /nfs/dbraw/zinc/13/52/82/328135282.db2.gz GOSVCOLMJGUKQO-UHFFFAOYSA-N 1 0 367.814 2.330 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000189373019 328143922 /nfs/dbraw/zinc/14/39/22/328143922.db2.gz MRDUNCCCKHFDTF-UHFFFAOYSA-N 1 0 374.397 2.025 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000191077967 328248831 /nfs/dbraw/zinc/24/88/31/328248831.db2.gz XWAZPWURBOWRSV-UHFFFAOYSA-N 1 0 365.430 2.143 20 5 FEBDRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000191279605 328258150 /nfs/dbraw/zinc/25/81/50/328258150.db2.gz CKTFSSZMCKMWPA-OAHLLOKOSA-N 1 0 365.430 2.095 20 5 FEBDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000191640598 328275482 /nfs/dbraw/zinc/27/54/82/328275482.db2.gz DUXGLZXXJNHJSP-INIZCTEOSA-N 1 0 357.414 2.405 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)n1 ZINC000191614540 328274024 /nfs/dbraw/zinc/27/40/24/328274024.db2.gz JLQPIDMJXXUADF-UHFFFAOYSA-N 1 0 363.393 2.154 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000191773571 328281027 /nfs/dbraw/zinc/28/10/27/328281027.db2.gz KWPUYNGBUTYTNT-OKILXGFUSA-N 1 0 351.451 2.299 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191998907 328292892 /nfs/dbraw/zinc/29/28/92/328292892.db2.gz BZHUHCZNFCDENR-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CN1C(=O)C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000192152384 328303069 /nfs/dbraw/zinc/30/30/69/328303069.db2.gz RXDKQCYFMJLUNC-CZUORRHYSA-N 1 0 363.805 2.006 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000192549126 328325209 /nfs/dbraw/zinc/32/52/09/328325209.db2.gz UNSYLZLVHSXJLU-GASCZTMLSA-N 1 0 364.494 2.114 20 5 FEBDRO CCc1n[nH]c(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192565372 328326136 /nfs/dbraw/zinc/32/61/36/328326136.db2.gz RVWGIULDALLFLG-UHFFFAOYSA-N 1 0 361.402 2.210 20 5 FEBDRO CC[NH+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000192574162 328326552 /nfs/dbraw/zinc/32/65/52/328326552.db2.gz XNOXCPUSGMNGEM-UHFFFAOYSA-N 1 0 355.826 2.007 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000192697602 328333723 /nfs/dbraw/zinc/33/37/23/328333723.db2.gz YXSACXBQKPDJCJ-HUUCEWRRSA-N 1 0 351.451 2.299 20 5 FEBDRO COc1cccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000192687520 328333376 /nfs/dbraw/zinc/33/33/76/328333376.db2.gz DLWHEUQQFPTGET-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCc2occc21 ZINC000192999715 328351318 /nfs/dbraw/zinc/35/13/18/328351318.db2.gz MTDWALZFUUOQFN-ZDUSSCGKSA-N 1 0 365.411 2.133 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193595972 328384549 /nfs/dbraw/zinc/38/45/49/328384549.db2.gz PTZROWHTOLYVMQ-UHFFFAOYSA-N 1 0 350.419 2.280 20 5 FEBDRO C[C@H](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000193663619 328388412 /nfs/dbraw/zinc/38/84/12/328388412.db2.gz KKLOFFMZIYNRHA-CYBMUJFWSA-N 1 0 358.398 2.336 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000194377364 328421722 /nfs/dbraw/zinc/42/17/22/328421722.db2.gz UHLYQYZMYPSFQD-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237214616 328508813 /nfs/dbraw/zinc/50/88/13/328508813.db2.gz NHILARWCPCRZKZ-ZDUSSCGKSA-N 1 0 353.444 2.034 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000083027288 325210593 /nfs/dbraw/zinc/21/05/93/325210593.db2.gz SUAFACJYFXPYOI-CHWSQXEVSA-N 1 0 353.394 2.353 20 5 FEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237887382 328532824 /nfs/dbraw/zinc/53/28/24/328532824.db2.gz PUTCVQHZZRENLY-FVQBIDKESA-N 1 0 361.446 2.300 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1F ZINC000092995937 325430251 /nfs/dbraw/zinc/43/02/51/325430251.db2.gz AKFSXPLHCZFIJQ-ZDUSSCGKSA-N 1 0 371.434 2.149 20 5 FEBDRO C[NH+](C)CCc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000102791545 325498527 /nfs/dbraw/zinc/49/85/27/325498527.db2.gz CPSMEGHKCPKGNC-UHFFFAOYSA-N 1 0 370.409 2.067 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1SC ZINC000103190869 325510191 /nfs/dbraw/zinc/51/01/91/325510191.db2.gz GRBDTDFRRZJZGC-CYBMUJFWSA-N 1 0 353.444 2.395 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112589352 325792929 /nfs/dbraw/zinc/79/29/29/325792929.db2.gz ZEBWEVBONCBISO-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000116126591 325994580 /nfs/dbraw/zinc/99/45/80/325994580.db2.gz IWKCJOXSFFVRBB-INIZCTEOSA-N 1 0 374.445 2.272 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116372550 326009971 /nfs/dbraw/zinc/00/99/71/326009971.db2.gz DUJQEROJIGKWLQ-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116372553 326010017 /nfs/dbraw/zinc/01/00/17/326010017.db2.gz DUJQEROJIGKWLQ-HNNXBMFYSA-N 1 0 373.475 2.248 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116588397 326026246 /nfs/dbraw/zinc/02/62/46/326026246.db2.gz XXMAEOOKMUNJNP-AWEZNQCLSA-N 1 0 350.419 2.016 20 5 FEBDRO CC[C@@H](O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000118752987 326101039 /nfs/dbraw/zinc/10/10/39/326101039.db2.gz BWJXFFMIWGKTPA-GFCCVEGCSA-N 1 0 358.236 2.250 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000119060587 326123093 /nfs/dbraw/zinc/12/30/93/326123093.db2.gz ZZYUIGZLZPDLSI-CQSZACIVSA-N 1 0 370.475 2.165 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000119380784 326156342 /nfs/dbraw/zinc/15/63/42/326156342.db2.gz JOVSYCRYPJXLRP-UHFFFAOYSA-N 1 0 371.390 2.079 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1C ZINC000120252327 326244114 /nfs/dbraw/zinc/24/41/14/326244114.db2.gz HEQXCZYKEMIXGC-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000120341378 326250938 /nfs/dbraw/zinc/25/09/38/326250938.db2.gz IOQCWKZQBPAGNX-BETUJISGSA-N 1 0 360.414 2.305 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000120702052 326280102 /nfs/dbraw/zinc/28/01/02/326280102.db2.gz OUICLGADOPXIOJ-JSGCOSHPSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000120914868 326298536 /nfs/dbraw/zinc/29/85/36/326298536.db2.gz BIBNLXLYNYYQCM-GXTWGEPZSA-N 1 0 355.460 2.172 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000121649232 326354858 /nfs/dbraw/zinc/35/48/58/326354858.db2.gz QOAUUHXPNNTJMN-CXAGYDPISA-N 1 0 365.455 2.232 20 5 FEBDRO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000121723398 326361737 /nfs/dbraw/zinc/36/17/37/326361737.db2.gz NEESGUHXPWPMKD-SNVBAGLBSA-N 1 0 356.220 2.347 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000125053413 326464534 /nfs/dbraw/zinc/46/45/34/326464534.db2.gz HAWOVACTGKSMIO-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128751680 326529319 /nfs/dbraw/zinc/52/93/19/326529319.db2.gz IXLJKUWTFSEZDE-AWEZNQCLSA-N 1 0 352.410 2.479 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000136894899 326656248 /nfs/dbraw/zinc/65/62/48/326656248.db2.gz VZRDZXHTWSMFGA-GIZXNFQBSA-N 1 0 359.426 2.225 20 5 FEBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152488941 326708772 /nfs/dbraw/zinc/70/87/72/326708772.db2.gz LTVPPNBPBMHRIL-IAQYHMDHSA-N 1 0 350.444 2.197 20 5 FEBDRO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155558419 326793382 /nfs/dbraw/zinc/79/33/82/326793382.db2.gz WQNOSBBYCKWWMC-GHMZBOCLSA-N 1 0 370.247 2.451 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000162819845 327035670 /nfs/dbraw/zinc/03/56/70/327035670.db2.gz VSPVHTOWTYPKIV-UHFFFAOYSA-N 1 0 370.837 2.233 20 5 FEBDRO O=C(NCC[C@H]1CCC[NH2+]C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000165889355 327079462 /nfs/dbraw/zinc/07/94/62/327079462.db2.gz CRQZCBSCVDLRPY-SNVBAGLBSA-N 1 0 356.220 2.477 20 5 FEBDRO CCc1n[nH]c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000171399937 327137053 /nfs/dbraw/zinc/13/70/53/327137053.db2.gz BLAPJGCUXCDEGS-CHWSQXEVSA-N 1 0 351.451 2.368 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171440923 327139845 /nfs/dbraw/zinc/13/98/45/327139845.db2.gz KUWHZPQPBJQZQR-KRWDZBQOSA-N 1 0 355.398 2.091 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171797620 327161822 /nfs/dbraw/zinc/16/18/22/327161822.db2.gz FMMYSNYGYMIADI-CQSZACIVSA-N 1 0 370.409 2.137 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000172018783 327176403 /nfs/dbraw/zinc/17/64/03/327176403.db2.gz QNVPZYFLMYTESZ-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](C)CC1 ZINC000172203217 327187007 /nfs/dbraw/zinc/18/70/07/327187007.db2.gz GAYLDUGBXSJYSJ-LBPRGKRZSA-N 1 0 362.455 2.175 20 5 FEBDRO C[NH+]1CCC(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000173089300 327234593 /nfs/dbraw/zinc/23/45/93/327234593.db2.gz ORGRSCRJTCLHSK-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173265762 327245069 /nfs/dbraw/zinc/24/50/69/327245069.db2.gz DKUHADAJOAAHQM-PWSUYJOCSA-N 1 0 361.851 2.351 20 5 FEBDRO C[NH+]1CCC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000173380140 327252788 /nfs/dbraw/zinc/25/27/88/327252788.db2.gz JAWFAQFMXRIZCB-UHFFFAOYSA-N 1 0 362.430 2.242 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173474102 327260011 /nfs/dbraw/zinc/26/00/11/327260011.db2.gz VMMDIMRTKPFLTB-DOTOQJQBSA-N 1 0 372.425 2.224 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173613249 327271036 /nfs/dbraw/zinc/27/10/36/327271036.db2.gz TUDOLCOYEKNVJE-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000173627227 327271996 /nfs/dbraw/zinc/27/19/96/327271996.db2.gz YDXXBMQGFUHPTE-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173632665 327272517 /nfs/dbraw/zinc/27/25/17/327272517.db2.gz FDEMJSJLMVHDAM-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000173634048 327272578 /nfs/dbraw/zinc/27/25/78/327272578.db2.gz XFZVJTCMTGDNEX-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173631619 327272613 /nfs/dbraw/zinc/27/26/13/327272613.db2.gz ZAWHIKQMMLVAIB-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173668472 327275097 /nfs/dbraw/zinc/27/50/97/327275097.db2.gz FJEYRLUHDBODGY-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173671616 327275553 /nfs/dbraw/zinc/27/55/53/327275553.db2.gz JYOIMVBLNLIKTI-LBPRGKRZSA-N 1 0 359.423 2.229 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173703527 327278266 /nfs/dbraw/zinc/27/82/66/327278266.db2.gz FWARDMTTWOWZKJ-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906306 327293474 /nfs/dbraw/zinc/29/34/74/327293474.db2.gz TYUDWWQUKPPIOF-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174150499 327308785 /nfs/dbraw/zinc/30/87/85/327308785.db2.gz AQSSCWQISWCGTD-ZDUSSCGKSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174538827 327333551 /nfs/dbraw/zinc/33/35/51/327333551.db2.gz VODGMJZGFYCHAE-GFCCVEGCSA-N 1 0 351.403 2.026 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174563277 327335233 /nfs/dbraw/zinc/33/52/33/327335233.db2.gz JMTKJBUELXTJJH-CYBMUJFWSA-N 1 0 357.414 2.419 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000175272201 327383673 /nfs/dbraw/zinc/38/36/73/327383673.db2.gz JJJUPJPBRLOUFI-ZFWWWQNUSA-N 1 0 370.409 2.478 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176431271 327455417 /nfs/dbraw/zinc/45/54/17/327455417.db2.gz CKLNBKXWNOIVBY-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000177772300 327543943 /nfs/dbraw/zinc/54/39/43/327543943.db2.gz DHJQVHKUBSIFKU-AWEZNQCLSA-N 1 0 363.439 2.365 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000178404275 327582808 /nfs/dbraw/zinc/58/28/08/327582808.db2.gz OKABGLOSCMXEQZ-IRXDYDNUSA-N 1 0 362.430 2.484 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000248435764 328718593 /nfs/dbraw/zinc/71/85/93/328718593.db2.gz AIWVWQSOLWQKNY-IRXDYDNUSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262196380 328850286 /nfs/dbraw/zinc/85/02/86/328850286.db2.gz KCBMENLTZUONQE-OAHLLOKOSA-N 1 0 361.423 2.069 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000264296700 329008007 /nfs/dbraw/zinc/00/80/07/329008007.db2.gz QZSQTIJEPQBGJM-UHFFFAOYSA-N 1 0 351.378 2.109 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264669386 329046536 /nfs/dbraw/zinc/04/65/36/329046536.db2.gz TXEIZKFGHFPMMJ-UHFFFAOYSA-N 1 0 371.279 2.431 20 5 FEBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082189 329088794 /nfs/dbraw/zinc/08/87/94/329088794.db2.gz QQMRXAMFRVNYJI-MNOVXSKESA-N 1 0 351.794 2.450 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265922107 329173084 /nfs/dbraw/zinc/17/30/84/329173084.db2.gz CGVOWKZEDYSLBV-ZDUSSCGKSA-N 1 0 351.403 2.216 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000266180475 329197665 /nfs/dbraw/zinc/19/76/65/329197665.db2.gz XRKJFXRZMIYZQC-ZDUSSCGKSA-N 1 0 355.460 2.160 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266575726 329237700 /nfs/dbraw/zinc/23/77/00/329237700.db2.gz XVMMBUJOSQZTAS-CQSZACIVSA-N 1 0 350.419 2.229 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266624793 329243036 /nfs/dbraw/zinc/24/30/36/329243036.db2.gz NCHCKVPTTQUMHK-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267437876 329327277 /nfs/dbraw/zinc/32/72/77/329327277.db2.gz NXUJMMFVZKACDL-RHSMWYFYSA-N 1 0 371.441 2.127 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc1OC(F)F ZINC000267441759 329327694 /nfs/dbraw/zinc/32/76/94/329327694.db2.gz YWFDLSKHBBOCSW-GFCCVEGCSA-N 1 0 357.357 2.355 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000267994860 329375146 /nfs/dbraw/zinc/37/51/46/329375146.db2.gz QWBCNDWVERWSIX-MRXNPFEDSA-N 1 0 351.447 2.345 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178580 329393695 /nfs/dbraw/zinc/39/36/95/329393695.db2.gz KYGINXLRIXOSDC-XJKSGUPXSA-N 1 0 358.442 2.408 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2)CC1 ZINC000270087909 329574035 /nfs/dbraw/zinc/57/40/35/329574035.db2.gz JOPCDYKOPKGGRD-LBPRGKRZSA-N 1 0 350.394 2.120 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1=O ZINC000270279588 329587848 /nfs/dbraw/zinc/58/78/48/329587848.db2.gz VEGGTLUZMSYXBF-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO CS[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH+](C)C ZINC000270683056 329621911 /nfs/dbraw/zinc/62/19/11/329621911.db2.gz VJVUMYHSRAUSHQ-KGLIPLIRSA-N 1 0 363.443 2.122 20 5 FEBDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270712085 329624880 /nfs/dbraw/zinc/62/48/80/329624880.db2.gz DBLGYQMURBSRCJ-UHFFFAOYSA-N 1 0 351.329 2.054 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000271143794 329666341 /nfs/dbraw/zinc/66/63/41/329666341.db2.gz OXAMYIBFLUBXCC-QWHCGFSZSA-N 1 0 358.485 2.490 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)C[NH2+]1 ZINC000272646648 329801106 /nfs/dbraw/zinc/80/11/06/329801106.db2.gz YKEOPZOODRWTEJ-YUMQZZPRSA-N 1 0 360.183 2.319 20 5 FEBDRO COCC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273225970 329846974 /nfs/dbraw/zinc/84/69/74/329846974.db2.gz DZHOYTAKOKVLPX-ZBFHGGJFSA-N 1 0 350.371 2.295 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275902351 330101933 /nfs/dbraw/zinc/10/19/33/330101933.db2.gz RCVQVFAQVKXCQV-CYBMUJFWSA-N 1 0 362.430 2.030 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000276350891 330143953 /nfs/dbraw/zinc/14/39/53/330143953.db2.gz UKKIFGHMPJTOGW-AWEZNQCLSA-N 1 0 367.471 2.311 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000281818500 330176709 /nfs/dbraw/zinc/17/67/09/330176709.db2.gz SYYKWLUNKQXMTQ-JKSUJKDBSA-N 1 0 370.365 2.378 20 5 FEBDRO COc1ccc([C@@H](O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000291393779 330189325 /nfs/dbraw/zinc/18/93/25/330189325.db2.gz BKPNSMINOVSJPX-GOSISDBHSA-N 1 0 360.414 2.246 20 5 FEBDRO Cc1cc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000294211154 330193042 /nfs/dbraw/zinc/19/30/42/330193042.db2.gz MDSHIOAKAXXSHI-UHFFFAOYSA-N 1 0 351.451 2.250 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367037048 330209705 /nfs/dbraw/zinc/20/97/05/330209705.db2.gz JUJJCHLFSPWSGJ-WMLDXEAASA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367037049 330209877 /nfs/dbraw/zinc/20/98/77/330209877.db2.gz JUJJCHLFSPWSGJ-YOEHRIQHSA-N 1 0 374.441 2.222 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061804 330212670 /nfs/dbraw/zinc/21/26/70/330212670.db2.gz YMBRSQDCEZAVAV-ZWKOTPCHSA-N 1 0 374.441 2.132 20 5 FEBDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000554108519 674304151 /nfs/dbraw/zinc/30/41/51/674304151.db2.gz FSESRSASBKWQBF-OLZOCXBDSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000554108520 674304327 /nfs/dbraw/zinc/30/43/27/674304327.db2.gz FSESRSASBKWQBF-QWHCGFSZSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(C)C[C@H](C)CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000554877039 674339542 /nfs/dbraw/zinc/33/95/42/674339542.db2.gz DLGTVLLXXCIQAF-ZDUSSCGKSA-N 1 0 357.476 2.446 20 5 FEBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554977489 674344121 /nfs/dbraw/zinc/34/41/21/674344121.db2.gz SGZGOHLNTCFFTG-GFCCVEGCSA-N 1 0 364.183 2.450 20 5 FEBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247556394 549356059 /nfs/dbraw/zinc/35/60/59/549356059.db2.gz QJFKVISUWFYELI-MSOLQXFVSA-N 1 0 359.430 2.055 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000155312170 545509884 /nfs/dbraw/zinc/50/98/84/545509884.db2.gz ODQUMWXRJMLTDZ-WFASDCNBSA-N 1 0 351.378 2.055 20 5 FEBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000155512504 545535810 /nfs/dbraw/zinc/53/58/10/545535810.db2.gz MWAJUBIQRXPVMU-LLVKDONJSA-N 1 0 374.363 2.118 20 5 FEBDRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156398499 545624799 /nfs/dbraw/zinc/62/47/99/545624799.db2.gz GOYQJSGRSSIQDS-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO C[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000156728828 545654517 /nfs/dbraw/zinc/65/45/17/545654517.db2.gz LPPVOWSEFYROBQ-HZMBPMFUSA-N 1 0 370.247 2.486 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1SC ZINC000158962203 545909783 /nfs/dbraw/zinc/90/97/83/545909783.db2.gz RTKMKQFPYLWDCU-INIZCTEOSA-N 1 0 351.428 2.151 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000478433625 561166806 /nfs/dbraw/zinc/16/68/06/561166806.db2.gz MDRSFQUCWSOYFW-UHFFFAOYSA-N 1 0 370.409 2.280 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000159709748 545974158 /nfs/dbraw/zinc/97/41/58/545974158.db2.gz HTQSOOYMWJYPKC-UHFFFAOYSA-N 1 0 374.416 2.104 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000160148965 546011953 /nfs/dbraw/zinc/01/19/53/546011953.db2.gz BMPGGKSMLMMANL-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc([N+](=O)[O-])c1 ZINC000160229833 546018794 /nfs/dbraw/zinc/01/87/94/546018794.db2.gz YZWFSAPQHTUJCR-MSOLQXFVSA-N 1 0 361.442 2.401 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])s1 ZINC000160490391 546045962 /nfs/dbraw/zinc/04/59/62/546045962.db2.gz VVSVOBGYMWDSQT-OLZOCXBDSA-N 1 0 353.444 2.154 20 5 FEBDRO [NH3+][C@@H]1[C@H](C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[C@@H]2CC[C@H]1C2 ZINC000160911968 546084384 /nfs/dbraw/zinc/08/43/84/546084384.db2.gz MNUCZMYIUGUSHV-OBQMCUGOSA-N 1 0 359.426 2.338 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000162734713 546141527 /nfs/dbraw/zinc/14/15/27/546141527.db2.gz PMCAVUOVOJCLJO-VHSXEESVSA-N 1 0 372.219 2.310 20 5 FEBDRO COc1c(C(=O)Nc2ccnc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000480577178 561212368 /nfs/dbraw/zinc/21/23/68/561212368.db2.gz KWIWFBYBRNFWMS-UHFFFAOYSA-N 1 0 360.370 2.191 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177036959 546529098 /nfs/dbraw/zinc/52/90/98/546529098.db2.gz JGVCBHQSYMMFDK-JSGCOSHPSA-N 1 0 355.398 2.136 20 5 FEBDRO CSc1ccc(C(=O)NCCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000177155277 546557036 /nfs/dbraw/zinc/55/70/36/546557036.db2.gz WDGOHYOJUGJYMB-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCCCC2)c1C ZINC000480923088 561220256 /nfs/dbraw/zinc/22/02/56/561220256.db2.gz AFEHJHGAALSRIE-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO CC(=O)N[C@H](C)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481166779 561226842 /nfs/dbraw/zinc/22/68/42/561226842.db2.gz KIHZCAORZQCCHI-CYBMUJFWSA-N 1 0 362.430 2.160 20 5 FEBDRO CCOc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000481191308 561227654 /nfs/dbraw/zinc/22/76/54/561227654.db2.gz MOBUEYWCHXMDFO-MRXNPFEDSA-N 1 0 353.444 2.161 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c1C ZINC000178306060 546773184 /nfs/dbraw/zinc/77/31/84/546773184.db2.gz HROLJGKLSSSEFW-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000481331683 561231042 /nfs/dbraw/zinc/23/10/42/561231042.db2.gz QPIVAPGAPPXNGB-INIZCTEOSA-N 1 0 351.403 2.289 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178629645 546823710 /nfs/dbraw/zinc/82/37/10/546823710.db2.gz KZERZRSALOWNQK-DGCLKSJQSA-N 1 0 352.822 2.355 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866231 547197152 /nfs/dbraw/zinc/19/71/52/547197152.db2.gz REOXSDDYRZLNPN-WMLDXEAASA-N 1 0 357.414 2.434 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(O[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000483057553 561266103 /nfs/dbraw/zinc/26/61/03/561266103.db2.gz NLVIDQNEMCDBSN-INIZCTEOSA-N 1 0 366.414 2.252 20 5 FEBDRO CCCOc1ccc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000483260845 561272145 /nfs/dbraw/zinc/27/21/45/561272145.db2.gz DABKEPSXVYWIHF-INIZCTEOSA-N 1 0 362.430 2.466 20 5 FEBDRO Cc1cnc(CC[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000182253667 547461020 /nfs/dbraw/zinc/46/10/20/547461020.db2.gz BDYKWBSSMSXUEH-CYBMUJFWSA-N 1 0 351.428 2.274 20 5 FEBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCO1 ZINC000182255888 547462799 /nfs/dbraw/zinc/46/27/99/547462799.db2.gz OFXPNRZLTLQRJM-DZGCQCFKSA-N 1 0 351.403 2.479 20 5 FEBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCO1 ZINC000182384376 547482988 /nfs/dbraw/zinc/48/29/88/547482988.db2.gz PITHCRHCAXUOQN-BBRMVZONSA-N 1 0 351.403 2.479 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182681957 547533473 /nfs/dbraw/zinc/53/34/73/547533473.db2.gz QGBLDHADBDSANP-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO COc1cccc2c1CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000182729355 547541792 /nfs/dbraw/zinc/54/17/92/547541792.db2.gz MVHFCGBMOSSLKK-INIZCTEOSA-N 1 0 358.394 2.401 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000484048233 561290482 /nfs/dbraw/zinc/29/04/82/561290482.db2.gz VLQDEAJWGRICMI-PXAZEXFGSA-N 1 0 371.441 2.266 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183289492 547632670 /nfs/dbraw/zinc/63/26/70/547632670.db2.gz USQHEVBPRQJJCL-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183766533 547715793 /nfs/dbraw/zinc/71/57/93/547715793.db2.gz MSLFANZRFAGERV-INIZCTEOSA-N 1 0 373.384 2.231 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000184613700 547854792 /nfs/dbraw/zinc/85/47/92/547854792.db2.gz BFJXQXKUZOOIPC-JKSUJKDBSA-N 1 0 367.471 2.372 20 5 FEBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000185446272 547985978 /nfs/dbraw/zinc/98/59/78/547985978.db2.gz FUOYAVRMCABKQN-OAHLLOKOSA-N 1 0 370.409 2.432 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485910241 561332205 /nfs/dbraw/zinc/33/22/05/561332205.db2.gz ZCCIRDJMAUBUAD-CYBMUJFWSA-N 1 0 364.446 2.467 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000186990585 548235965 /nfs/dbraw/zinc/23/59/65/548235965.db2.gz KLSHVOKESNCSAQ-UHFFFAOYSA-N 1 0 362.430 2.424 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC1([NH+](C)C)CCC1 ZINC000187001591 548238235 /nfs/dbraw/zinc/23/82/35/548238235.db2.gz SRZPTXAXDDKJPT-CYBMUJFWSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1C ZINC000194115525 548437172 /nfs/dbraw/zinc/43/71/72/548437172.db2.gz SQGNZORYWQCFJA-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC([NH+](C)C)CC2)c(C)c([N+](=O)[O-])c1 ZINC000486853427 561358213 /nfs/dbraw/zinc/35/82/13/561358213.db2.gz AMBHGILGKAXKKW-UHFFFAOYSA-N 1 0 364.402 2.248 20 5 FEBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000236608892 548768846 /nfs/dbraw/zinc/76/88/46/548768846.db2.gz VUCZQIZJPILQPP-JTQLQIEISA-N 1 0 356.220 2.477 20 5 FEBDRO C[NH2+]C[C@@H](C)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000237283458 548814544 /nfs/dbraw/zinc/81/45/44/548814544.db2.gz JAFVLZGQTXSRLY-SNVBAGLBSA-N 1 0 362.352 2.387 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000237475294 548828004 /nfs/dbraw/zinc/82/80/04/548828004.db2.gz VWSVMPXWPPJQNG-NWDGAFQWSA-N 1 0 350.375 2.319 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000237994519 548869495 /nfs/dbraw/zinc/86/94/95/548869495.db2.gz WJSHBCUSBGRPFE-UHFFFAOYSA-N 1 0 374.422 2.144 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245526212 548939191 /nfs/dbraw/zinc/93/91/91/548939191.db2.gz AJVQJEFOUYJTMD-CZUORRHYSA-N 1 0 365.430 2.415 20 5 FEBDRO COCCO[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245872110 549007583 /nfs/dbraw/zinc/00/75/83/549007583.db2.gz MDXOINPYTWZCPJ-CZUORRHYSA-N 1 0 351.403 2.049 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246693325 549190326 /nfs/dbraw/zinc/19/03/26/549190326.db2.gz YYQBTQJRTRWEFV-DZGCQCFKSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246836202 549224934 /nfs/dbraw/zinc/22/49/34/549224934.db2.gz KIANFSXOAYDWNZ-CVEARBPZSA-N 1 0 365.455 2.438 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247300963 549313844 /nfs/dbraw/zinc/31/38/44/549313844.db2.gz OYCGNFITTNSCCM-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c([N+](=O)[O-])c1 ZINC000247367113 549324767 /nfs/dbraw/zinc/32/47/67/549324767.db2.gz HOBYMHOBUZAEHF-CXAGYDPISA-N 1 0 373.413 2.322 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247734450 549375569 /nfs/dbraw/zinc/37/55/69/549375569.db2.gz VIWQKCSLKQQOKZ-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248474068 549447912 /nfs/dbraw/zinc/44/79/12/549447912.db2.gz XCCRRFWXOHLDFA-XOKHGSTOSA-N 1 0 352.431 2.470 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000248648689 549476610 /nfs/dbraw/zinc/47/66/10/549476610.db2.gz UEHFHDIDCAGCPL-KGYLQXTDSA-N 1 0 353.806 2.213 20 5 FEBDRO C[C@H](O)CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000249089733 549549394 /nfs/dbraw/zinc/54/93/94/549549394.db2.gz KDGOKDYYQAKLNN-NEPJUHHUSA-N 1 0 363.439 2.337 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000249137585 549559186 /nfs/dbraw/zinc/55/91/86/549559186.db2.gz YYJUGOISSFARBA-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253544400 549692862 /nfs/dbraw/zinc/69/28/62/549692862.db2.gz RCXMFGWHDWOUFU-MEDUHNTESA-N 1 0 358.398 2.261 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261714690 549746913 /nfs/dbraw/zinc/74/69/13/549746913.db2.gz PLLQKFBDYNUEJJ-KOLCDFICSA-N 1 0 354.204 2.039 20 5 FEBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])n1 ZINC000261878151 549765275 /nfs/dbraw/zinc/76/52/75/549765275.db2.gz VYZDGMWPBPCBCS-SSDOTTSWSA-N 1 0 358.301 2.405 20 5 FEBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262569411 549828998 /nfs/dbraw/zinc/82/89/98/549828998.db2.gz GFWCVYDWVZOQQR-PWSUYJOCSA-N 1 0 370.247 2.486 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262972737 549867248 /nfs/dbraw/zinc/86/72/48/549867248.db2.gz LXEFXMUOYAAKBX-UHFFFAOYSA-N 1 0 357.292 2.216 20 5 FEBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000490650064 561436719 /nfs/dbraw/zinc/43/67/19/561436719.db2.gz OBXKTMHMSPGOMN-UHFFFAOYSA-N 1 0 363.414 2.148 20 5 FEBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000268455471 550069489 /nfs/dbraw/zinc/06/94/89/550069489.db2.gz XHOITJZUMCDIDK-YYUOZPCZSA-N 1 0 350.444 2.242 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268791497 550116124 /nfs/dbraw/zinc/11/61/24/550116124.db2.gz AGTFBTFJZKKKOK-GDBMZVCRSA-N 1 0 358.442 2.408 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000268812801 550118803 /nfs/dbraw/zinc/11/88/03/550118803.db2.gz DPLLELFJWDJJSF-WBVHZDCISA-N 1 0 362.474 2.497 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121249 550157599 /nfs/dbraw/zinc/15/75/99/550157599.db2.gz DBWPSLLWCWILJR-CRAIPNDOSA-N 1 0 356.426 2.492 20 5 FEBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269281435 550175670 /nfs/dbraw/zinc/17/56/70/550175670.db2.gz QPXLNCSJYMAVIX-OIBJUYFYSA-N 1 0 360.183 2.354 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000493036942 561454215 /nfs/dbraw/zinc/45/42/15/561454215.db2.gz XHXMCBGSXCJDPE-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO CS[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1[NH+](C)C ZINC000270671312 550295262 /nfs/dbraw/zinc/29/52/62/550295262.db2.gz RMWOIASFIHTCEY-KGLIPLIRSA-N 1 0 363.443 2.122 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000271152778 550345710 /nfs/dbraw/zinc/34/57/10/550345710.db2.gz LTJIMAXRNBXOJZ-GFCCVEGCSA-N 1 0 352.387 2.197 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CN(C)CCN1C ZINC000271192410 550350568 /nfs/dbraw/zinc/35/05/68/550350568.db2.gz XUBOVBXONFXVKD-LSDHHAIUSA-N 1 0 352.504 2.301 20 5 FEBDRO CS[C@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271682598 550394790 /nfs/dbraw/zinc/39/47/90/550394790.db2.gz ZOAVMGVPYFKMLR-CVEARBPZSA-N 1 0 366.487 2.215 20 5 FEBDRO CS[C@@H]1CN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271683849 550395120 /nfs/dbraw/zinc/39/51/20/550395120.db2.gz ZOAVMGVPYFKMLR-JKSUJKDBSA-N 1 0 366.487 2.215 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271975241 550414178 /nfs/dbraw/zinc/41/41/78/550414178.db2.gz NQKGRTODCJIBBJ-UHFFFAOYSA-N 1 0 365.455 2.325 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274179 550433331 /nfs/dbraw/zinc/43/33/31/550433331.db2.gz LXDWCIXITUTVBB-IUODEOHRSA-N 1 0 357.414 2.267 20 5 FEBDRO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1=CC[N@H+](C)CC1 ZINC000272974626 550479043 /nfs/dbraw/zinc/47/90/43/550479043.db2.gz ORMMRQRPXGALRL-ZDUSSCGKSA-N 1 0 355.398 2.161 20 5 FEBDRO CC[C@@H]1CN(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000494494491 561470630 /nfs/dbraw/zinc/47/06/30/561470630.db2.gz LJOIVAZRJQWKDQ-RHSMWYFYSA-N 1 0 364.446 2.012 20 5 FEBDRO CC[NH+]1CCN(Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273680937 550507823 /nfs/dbraw/zinc/50/78/23/550507823.db2.gz ZDBRRXYYSFRRNO-UHFFFAOYSA-N 1 0 356.430 2.134 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273907277 550515367 /nfs/dbraw/zinc/51/53/67/550515367.db2.gz YPCKRPSWPIBSBV-UHFFFAOYSA-N 1 0 355.410 2.096 20 5 FEBDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000274814530 550556682 /nfs/dbraw/zinc/55/66/82/550556682.db2.gz IPFGBPNXOPWOHO-APWZRJJASA-N 1 0 370.453 2.257 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277146003 550636957 /nfs/dbraw/zinc/63/69/57/550636957.db2.gz QGVZJYPFVBQYCR-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000277251399 550648017 /nfs/dbraw/zinc/64/80/17/550648017.db2.gz ZLQSUGHYNLVHGS-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H]1C ZINC000277490380 550677040 /nfs/dbraw/zinc/67/70/40/550677040.db2.gz NSZNMWAGBBOYDA-HTQZYQBOSA-N 1 0 360.183 2.319 20 5 FEBDRO COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000277567313 550685690 /nfs/dbraw/zinc/68/56/90/550685690.db2.gz NREQPOFVJQVFKS-CYBMUJFWSA-N 1 0 365.430 2.143 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277722526 550706555 /nfs/dbraw/zinc/70/65/55/550706555.db2.gz NAONBSKVZBQKCW-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733770 550707986 /nfs/dbraw/zinc/70/79/86/550707986.db2.gz OHJFJZVUQFIQLR-OLZOCXBDSA-N 1 0 374.445 2.391 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277946037 550732112 /nfs/dbraw/zinc/73/21/12/550732112.db2.gz CJUHPAQQYPDDCC-ZDUSSCGKSA-N 1 0 374.445 2.248 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278113132 550750751 /nfs/dbraw/zinc/75/07/51/550750751.db2.gz BKSPIYZGCJKDLX-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000278572159 550800524 /nfs/dbraw/zinc/80/05/24/550800524.db2.gz NRIQKUJPFPTCGI-ZIAGYGMSSA-N 1 0 350.419 2.130 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1 ZINC000278633373 550806284 /nfs/dbraw/zinc/80/62/84/550806284.db2.gz FQSJNNKUHMKCLH-NZVBXONLSA-N 1 0 371.821 2.359 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278816125 550825105 /nfs/dbraw/zinc/82/51/05/550825105.db2.gz YYCLHMBQQCAMQF-OCCSQVGLSA-N 1 0 372.429 2.239 20 5 FEBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000278958136 550840250 /nfs/dbraw/zinc/84/02/50/550840250.db2.gz BCKODYDYVDRCCL-BLLLJJGKSA-N 1 0 367.471 2.188 20 5 FEBDRO CC(=O)N1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279034860 550849106 /nfs/dbraw/zinc/84/91/06/550849106.db2.gz IUQXNQPLZWKXCC-GOSISDBHSA-N 1 0 360.458 2.071 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@@H+]1C1CC1 ZINC000279367796 550882170 /nfs/dbraw/zinc/88/21/70/550882170.db2.gz GQNPVIXWTSRQPC-WDEREUQCSA-N 1 0 350.394 2.155 20 5 FEBDRO CC(C)CCSc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC000495375368 561487267 /nfs/dbraw/zinc/48/72/67/561487267.db2.gz KEHQFIPMDKCJRM-HIFRSBDPSA-N 1 0 367.471 2.043 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)cs2)c1 ZINC000280298795 550978206 /nfs/dbraw/zinc/97/82/06/550978206.db2.gz NGUVAKWTKWGMDN-ZIAGYGMSSA-N 1 0 363.439 2.453 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280355832 550984382 /nfs/dbraw/zinc/98/43/82/550984382.db2.gz IQCCWISXGGJESP-KDOFPFPSSA-N 1 0 363.414 2.112 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1[N+](=O)[O-] ZINC000280867413 551040693 /nfs/dbraw/zinc/04/06/93/551040693.db2.gz COWSTEIUYGJARE-QWHCGFSZSA-N 1 0 357.414 2.112 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000280965943 551049954 /nfs/dbraw/zinc/04/99/54/551049954.db2.gz LJDRFMDTDWHSMP-UHFFFAOYSA-N 1 0 371.397 2.248 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281511759 551107083 /nfs/dbraw/zinc/10/70/83/551107083.db2.gz ABMPNNKFTVBXMR-QWHCGFSZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=C(C[NH2+][C@@]1(CO)CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000281645668 551125207 /nfs/dbraw/zinc/12/52/07/551125207.db2.gz JFNYRHGQNJDRNY-LJQANCHMSA-N 1 0 355.394 2.347 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281714499 551133854 /nfs/dbraw/zinc/13/38/54/551133854.db2.gz IAZVDNTXQSMAAG-UHFFFAOYSA-N 1 0 368.865 2.312 20 5 FEBDRO CCCNC(=O)C[N@H+](CCC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282662411 551256992 /nfs/dbraw/zinc/25/69/92/551256992.db2.gz LZYANWGFRHFKMH-UHFFFAOYSA-N 1 0 350.419 2.162 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000282913481 551284633 /nfs/dbraw/zinc/28/46/33/551284633.db2.gz GQFKABXQHGNARA-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000283030982 551300297 /nfs/dbraw/zinc/30/02/97/551300297.db2.gz HRBILHCEHMJGON-UWVGGRQHSA-N 1 0 357.794 2.364 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])c1 ZINC000497724347 561507178 /nfs/dbraw/zinc/50/71/78/561507178.db2.gz AYADJXUCFOPIKK-UHFFFAOYSA-N 1 0 361.446 2.195 20 5 FEBDRO O=C(C[NH+]1CCC2(CCOCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000283989136 551463364 /nfs/dbraw/zinc/46/33/64/551463364.db2.gz DBMQXOSDFIBUMH-UHFFFAOYSA-N 1 0 359.426 2.377 20 5 FEBDRO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C2(CCCCC2)C1 ZINC000284050863 551475001 /nfs/dbraw/zinc/47/50/01/551475001.db2.gz QJHJHMNPMDWMNM-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCOCC2)CC1 ZINC000284654225 551599795 /nfs/dbraw/zinc/59/97/95/551599795.db2.gz FLBBLQSNIUMBMS-OAHLLOKOSA-N 1 0 350.415 2.227 20 5 FEBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284903326 551663655 /nfs/dbraw/zinc/66/36/55/551663655.db2.gz UYLBHQJUWYOKSW-CYBMUJFWSA-N 1 0 350.375 2.384 20 5 FEBDRO CC[N@H+](C)CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498750719 561533729 /nfs/dbraw/zinc/53/37/29/561533729.db2.gz DIUGRBFLRQKFPR-UHFFFAOYSA-N 1 0 362.352 2.484 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285327169 551738636 /nfs/dbraw/zinc/73/86/36/551738636.db2.gz NMWVKVBLNJXPIM-YPMHNXCESA-N 1 0 371.434 2.290 20 5 FEBDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285840774 551817499 /nfs/dbraw/zinc/81/74/99/551817499.db2.gz YJQRZWQMDUMFTC-LNRIEFBSSA-N 1 0 360.458 2.329 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000285860936 551820054 /nfs/dbraw/zinc/82/00/54/551820054.db2.gz PRVNSDJKDBCAOX-RELGSGGGSA-N 1 0 359.426 2.320 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286031211 551840526 /nfs/dbraw/zinc/84/05/26/551840526.db2.gz QJMKXHIBTZHMAV-QYZOEREBSA-N 1 0 369.421 2.261 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616935 551906542 /nfs/dbraw/zinc/90/65/42/551906542.db2.gz RVEALCTVWJEQCQ-ZYHUDNBSSA-N 1 0 363.292 2.496 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(CC[NH+](C)C)cc2)n1 ZINC000286618209 551907042 /nfs/dbraw/zinc/90/70/42/551907042.db2.gz JLEWERZIHVARMO-UHFFFAOYSA-N 1 0 358.398 2.493 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286684134 551914289 /nfs/dbraw/zinc/91/42/89/551914289.db2.gz AHKCFGBOPLFZTF-YOEHRIQHSA-N 1 0 358.442 2.043 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000287007258 551951065 /nfs/dbraw/zinc/95/10/65/551951065.db2.gz HRCMXJILVHFJNJ-BLLLJJGKSA-N 1 0 361.398 2.080 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287752617 552042298 /nfs/dbraw/zinc/04/22/98/552042298.db2.gz TWFGQWZYWSIEOT-KFWWJZLASA-N 1 0 364.446 2.061 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343677 552137348 /nfs/dbraw/zinc/13/73/48/552137348.db2.gz JYHYPHYAGVDPSI-QWHCGFSZSA-N 1 0 364.421 2.499 20 5 FEBDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])n[nH]2)[NH+](C)C)cc1 ZINC000288512149 552166584 /nfs/dbraw/zinc/16/65/84/552166584.db2.gz ZZFLXKTXUUHXKN-HNNXBMFYSA-N 1 0 361.402 2.138 20 5 FEBDRO COCCOCCN(C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000289087077 552264006 /nfs/dbraw/zinc/26/40/06/552264006.db2.gz UCTKQYODVJPJPO-LLVKDONJSA-N 1 0 359.810 2.170 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000289306500 552298695 /nfs/dbraw/zinc/29/86/95/552298695.db2.gz SSYAWKFSRSZLIJ-GOSISDBHSA-N 1 0 363.414 2.218 20 5 FEBDRO COc1ccc(C[C@@H](CO)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1O ZINC000289508620 552332865 /nfs/dbraw/zinc/33/28/65/552332865.db2.gz UMQWPSJSZVMEGF-GFCCVEGCSA-N 1 0 352.412 2.311 20 5 FEBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289519974 552334844 /nfs/dbraw/zinc/33/48/44/552334844.db2.gz NTPMWHUREMKHDG-IUCAKERBSA-N 1 0 364.183 2.306 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290398384 552473319 /nfs/dbraw/zinc/47/33/19/552473319.db2.gz MZADKRZIWZTGGK-LLVKDONJSA-N 1 0 370.837 2.423 20 5 FEBDRO NC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290720258 552525967 /nfs/dbraw/zinc/52/59/67/552525967.db2.gz YSFDGVUVUWHYDT-CQSZACIVSA-N 1 0 355.398 2.165 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000290892008 552557062 /nfs/dbraw/zinc/55/70/62/552557062.db2.gz UYWFBSGEBXCERG-HNNXBMFYSA-N 1 0 362.430 2.086 20 5 FEBDRO CCOc1cc(C(=O)N[C@H](C)C[NH+](CC)CC)c([N+](=O)[O-])cc1OC ZINC000501257756 561593401 /nfs/dbraw/zinc/59/34/01/561593401.db2.gz LVFDDQOQXDUFRJ-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO COCCCN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)C1CC[NH+](C)CC1 ZINC000291359482 552618265 /nfs/dbraw/zinc/61/82/65/552618265.db2.gz BDBQSIZLZKRCGE-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CCN(C2CCC2)C1 ZINC000292249219 552708660 /nfs/dbraw/zinc/70/86/60/552708660.db2.gz JZXXYXNLKZNPBW-NSHDSACASA-N 1 0 373.500 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292644885 552745924 /nfs/dbraw/zinc/74/59/24/552745924.db2.gz HPGLPLVMWGZFQM-MRXNPFEDSA-N 1 0 363.414 2.311 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292718144 552752498 /nfs/dbraw/zinc/75/24/98/552752498.db2.gz FOCOJGZFCWMILF-OAHLLOKOSA-N 1 0 373.862 2.355 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292805583 552760060 /nfs/dbraw/zinc/76/00/60/552760060.db2.gz MRGCSJIZCLKUQN-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000292843507 552764108 /nfs/dbraw/zinc/76/41/08/552764108.db2.gz CKBQORMWHQBIOX-GXSJLCMTSA-N 1 0 371.340 2.029 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000294130982 552884426 /nfs/dbraw/zinc/88/44/26/552884426.db2.gz MHVNCVBMAPFMKY-IBGZPJMESA-N 1 0 369.425 2.338 20 5 FEBDRO COC(=O)Cc1ccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295091053 552958343 /nfs/dbraw/zinc/95/83/43/552958343.db2.gz SFPVRVCBYVKSDQ-CQSZACIVSA-N 1 0 365.430 2.223 20 5 FEBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000295842724 553066915 /nfs/dbraw/zinc/06/69/15/553066915.db2.gz CZFWWDSMXLATPT-HOTGVXAUSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296380883 553150823 /nfs/dbraw/zinc/15/08/23/553150823.db2.gz TUDIZUQLQFTVJD-JLZZUVOBSA-N 1 0 363.414 2.335 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296482004 553167178 /nfs/dbraw/zinc/16/71/78/553167178.db2.gz YJLMUGLRPPOLCK-IAOVAPTHSA-N 1 0 350.415 2.272 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000296889776 553225637 /nfs/dbraw/zinc/22/56/37/553225637.db2.gz JRIJASAXDAOVAT-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000297820051 553343027 /nfs/dbraw/zinc/34/30/27/553343027.db2.gz JCRRIJYMZPRQSP-UHFFFAOYSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000298306630 553410526 /nfs/dbraw/zinc/41/05/26/553410526.db2.gz MCEMLMWFQCMSAV-UHFFFAOYSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000298342907 553414522 /nfs/dbraw/zinc/41/45/22/553414522.db2.gz MBGLPADYHJDCCE-AWEZNQCLSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000298384304 553419032 /nfs/dbraw/zinc/41/90/32/553419032.db2.gz FCQZFRAZKCKNAI-KRWDZBQOSA-N 1 0 363.462 2.297 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000298908722 553488213 /nfs/dbraw/zinc/48/82/13/553488213.db2.gz BXTNZJVKGAWNMT-UHFFFAOYSA-N 1 0 362.430 2.373 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000299411004 553559800 /nfs/dbraw/zinc/55/98/00/553559800.db2.gz SYJRZOJKTWZLNV-ZDUSSCGKSA-N 1 0 363.370 2.238 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000299446041 553564120 /nfs/dbraw/zinc/56/41/20/553564120.db2.gz YQRAISKGNCPDOZ-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000299600978 553587314 /nfs/dbraw/zinc/58/73/14/553587314.db2.gz IOXGUBXZPBIEEJ-ZDUSSCGKSA-N 1 0 362.430 2.030 20 5 FEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000299667399 553600118 /nfs/dbraw/zinc/60/01/18/553600118.db2.gz XRCPCVBVTBZZPJ-UHFFFAOYSA-N 1 0 350.375 2.334 20 5 FEBDRO CNS(=O)(=O)c1ccc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301069928 553618881 /nfs/dbraw/zinc/61/88/81/553618881.db2.gz FHEOGOUHEBVLSS-STQMWFEESA-N 1 0 370.475 2.035 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C)cn2)CC1 ZINC000301207476 553631166 /nfs/dbraw/zinc/63/11/66/553631166.db2.gz UDFDUPIBNMXIHU-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301288950 553639648 /nfs/dbraw/zinc/63/96/48/553639648.db2.gz MWEQLYWUDZYNNE-CQSZACIVSA-N 1 0 371.441 2.337 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302169206 553708094 /nfs/dbraw/zinc/70/80/94/553708094.db2.gz LDXXHOBATSCCNY-BLLLJJGKSA-N 1 0 355.398 2.021 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000302205079 553710280 /nfs/dbraw/zinc/71/02/80/553710280.db2.gz WTPSJOOZRCNPIV-CYBMUJFWSA-N 1 0 363.414 2.294 20 5 FEBDRO CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000302204317 553710521 /nfs/dbraw/zinc/71/05/21/553710521.db2.gz CJZRNIGAJYYSTQ-IAGOWNOFSA-N 1 0 357.414 2.476 20 5 FEBDRO COCCC(=O)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302717185 553727985 /nfs/dbraw/zinc/72/79/85/553727985.db2.gz YQGZQMORAAGFHI-UHFFFAOYSA-N 1 0 358.398 2.137 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000330433054 554121096 /nfs/dbraw/zinc/12/10/96/554121096.db2.gz KRIOVOYZAWEKKU-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454963 554123977 /nfs/dbraw/zinc/12/39/77/554123977.db2.gz WODSLLDHCPGQLP-MCIONIFRSA-N 1 0 351.451 2.009 20 5 FEBDRO O=C1COc2ccc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2N1 ZINC000508677488 561769428 /nfs/dbraw/zinc/76/94/28/561769428.db2.gz HLUMVXHDVYJYSE-CYBMUJFWSA-N 1 0 369.381 2.007 20 5 FEBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331507973 554276571 /nfs/dbraw/zinc/27/65/71/554276571.db2.gz BCFLTORZSMSAGR-IXDOHACOSA-N 1 0 363.414 2.192 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000331589179 554290163 /nfs/dbraw/zinc/29/01/63/554290163.db2.gz XQFZYQFGFYIYDU-VIFPVBQESA-N 1 0 354.204 2.324 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000331877369 554337057 /nfs/dbraw/zinc/33/70/57/554337057.db2.gz HWWAUELJMBXNTI-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000331912268 554345230 /nfs/dbraw/zinc/34/52/30/554345230.db2.gz NCIUPJGGKCBNRW-BXUZGUMPSA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000332096409 554379406 /nfs/dbraw/zinc/37/94/06/554379406.db2.gz XKHGHQBUMHMJEH-BBRMVZONSA-N 1 0 367.471 2.459 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000509623545 561807783 /nfs/dbraw/zinc/80/77/83/561807783.db2.gz YANFPOIRZYVZGC-CYBMUJFWSA-N 1 0 364.373 2.389 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000332247161 554408989 /nfs/dbraw/zinc/40/89/89/554408989.db2.gz XDOVDDFLVDTECH-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589459 554477702 /nfs/dbraw/zinc/47/77/02/554477702.db2.gz MSORCXGCRCYEBT-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702481 554668744 /nfs/dbraw/zinc/66/87/44/554668744.db2.gz UGHJRFRQQDTYOP-AWEZNQCLSA-N 1 0 358.446 2.224 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000360521325 554878127 /nfs/dbraw/zinc/87/81/27/554878127.db2.gz BMUPIPUFZJEEFB-INIZCTEOSA-N 1 0 369.425 2.335 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425430 561868894 /nfs/dbraw/zinc/86/88/94/561868894.db2.gz LYBOXVXKLCKFOQ-ZFWWWQNUSA-N 1 0 357.414 2.202 20 5 FEBDRO Cc1cc(C2=CC[N@H+]([C@H](C)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000362002943 554943295 /nfs/dbraw/zinc/94/32/95/554943295.db2.gz KGPMQJYIOYAZNU-OAHLLOKOSA-N 1 0 360.458 2.295 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000364198204 555267882 /nfs/dbraw/zinc/26/78/82/555267882.db2.gz XGVKXTGAYQQJCL-HZPDHXFCSA-N 1 0 374.328 2.209 20 5 FEBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451232 555316725 /nfs/dbraw/zinc/31/67/25/555316725.db2.gz XMDLDGNAIYCKNU-HKUYNNGSSA-N 1 0 353.378 2.224 20 5 FEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000512618049 561910435 /nfs/dbraw/zinc/91/04/35/561910435.db2.gz HOAFJCDAZYHAAJ-WWGRRREGSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000512621218 561910617 /nfs/dbraw/zinc/91/06/17/561910617.db2.gz VMHXBKZGDNKPRK-IOASZLSFSA-N 1 0 355.460 2.287 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1cccs1 ZINC000364965463 555452226 /nfs/dbraw/zinc/45/22/26/555452226.db2.gz UBDFUXHIWAKBKA-YGRLFVJLSA-N 1 0 361.427 2.056 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000365017429 555465870 /nfs/dbraw/zinc/46/58/70/555465870.db2.gz NGLOFVHPXXVMES-LSDHHAIUSA-N 1 0 358.398 2.004 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000365047757 555472998 /nfs/dbraw/zinc/47/29/98/555472998.db2.gz YELBKDFZHFJPQF-JKSUJKDBSA-N 1 0 350.415 2.083 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000365410850 555568214 /nfs/dbraw/zinc/56/82/14/555568214.db2.gz GNEAWNURUHQMHK-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000365427272 555572621 /nfs/dbraw/zinc/57/26/21/555572621.db2.gz ZAKSVXKTOMERRV-HIFRSBDPSA-N 1 0 365.434 2.123 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000365651576 555632275 /nfs/dbraw/zinc/63/22/75/555632275.db2.gz WSFOPZGKXRQVRU-HNNXBMFYSA-N 1 0 356.382 2.090 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)n1 ZINC000365819893 555674777 /nfs/dbraw/zinc/67/47/77/555674777.db2.gz LBIIJPYHXPQAAX-HNNXBMFYSA-N 1 0 364.377 2.007 20 5 FEBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000513543109 561942231 /nfs/dbraw/zinc/94/22/31/561942231.db2.gz OUGGXYORAUBPTM-IUODEOHRSA-N 1 0 374.397 2.372 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000366415397 555836995 /nfs/dbraw/zinc/83/69/95/555836995.db2.gz SIEFEJNJARGHGI-DKSSEZFCSA-N 1 0 372.469 2.242 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000366493325 555859840 /nfs/dbraw/zinc/85/98/40/555859840.db2.gz WDNBCNXZZBHSNR-OCCSQVGLSA-N 1 0 371.434 2.195 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366822516 555944094 /nfs/dbraw/zinc/94/40/94/555944094.db2.gz GGYUMCSVTNQZKP-PXAZEXFGSA-N 1 0 370.409 2.453 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000514244661 561965532 /nfs/dbraw/zinc/96/55/32/561965532.db2.gz LTMKNDWVLPLRLM-UTUOFQBUSA-N 1 0 367.402 2.108 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000366940373 555976828 /nfs/dbraw/zinc/97/68/28/555976828.db2.gz HFWDCOCLRYVIIK-HNNXBMFYSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000366940607 555977117 /nfs/dbraw/zinc/97/71/17/555977117.db2.gz JRLLANDHEGMWKT-CYBMUJFWSA-N 1 0 373.862 2.401 20 5 FEBDRO Cn1ccnc1[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000367348271 556024058 /nfs/dbraw/zinc/02/40/58/556024058.db2.gz GYKKXLSIEZWHDV-JFIYKMOQSA-N 1 0 369.425 2.161 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367407634 556040204 /nfs/dbraw/zinc/04/02/04/556040204.db2.gz ILWHQHBIVSWZGE-SFHVURJKSA-N 1 0 356.382 2.064 20 5 FEBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000367625525 556099719 /nfs/dbraw/zinc/09/97/19/556099719.db2.gz YNEJNWMWCBFCFP-NXWXRZEISA-N 1 0 374.441 2.093 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000367651924 556105663 /nfs/dbraw/zinc/10/56/63/556105663.db2.gz YDEAFMHIPPKOAK-RHSMWYFYSA-N 1 0 369.425 2.479 20 5 FEBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000515013775 561992056 /nfs/dbraw/zinc/99/20/56/561992056.db2.gz IDYKTPIWRSDZHH-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368233829 556255068 /nfs/dbraw/zinc/25/50/68/556255068.db2.gz HHVVXAYYLYMMTM-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO Cc1c(CC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000368570640 556349473 /nfs/dbraw/zinc/34/94/73/556349473.db2.gz XQVIHIAGNRZWON-AEFFLSMTSA-N 1 0 361.442 2.063 20 5 FEBDRO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664828 556378814 /nfs/dbraw/zinc/37/88/14/556378814.db2.gz YUEZPSIPGNXHGQ-HOCLYGCPSA-N 1 0 360.414 2.246 20 5 FEBDRO Cc1nc(N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000515594479 562016380 /nfs/dbraw/zinc/01/63/80/562016380.db2.gz HMUYQZSSDIUBEN-INIZCTEOSA-N 1 0 356.430 2.094 20 5 FEBDRO Cc1ncc(CN2CC[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976182 556465679 /nfs/dbraw/zinc/46/56/79/556465679.db2.gz UNUVHMLSRLBAAC-RISCZKNCSA-N 1 0 364.475 2.093 20 5 FEBDRO Cc1ncc(CN2CC[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976183 556465720 /nfs/dbraw/zinc/46/57/20/556465720.db2.gz UNUVHMLSRLBAAC-SMDDNHRTSA-N 1 0 364.475 2.093 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000515747617 562020996 /nfs/dbraw/zinc/02/09/96/562020996.db2.gz GUBBLNLKBDCOSW-UHFFFAOYSA-N 1 0 361.446 2.180 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369156089 556519310 /nfs/dbraw/zinc/51/93/10/556519310.db2.gz GBQZHQLZSVHTQJ-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369157442 556520257 /nfs/dbraw/zinc/52/02/57/556520257.db2.gz NGGUBEDMAHFNQJ-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253984 556551096 /nfs/dbraw/zinc/55/10/96/556551096.db2.gz JCDBRTFJTNFUMQ-GFCCVEGCSA-N 1 0 366.849 2.147 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369379604 556585442 /nfs/dbraw/zinc/58/54/42/556585442.db2.gz NBSATQQFVJLSLV-OAHLLOKOSA-N 1 0 372.429 2.378 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369537474 556624550 /nfs/dbraw/zinc/62/45/50/556624550.db2.gz RAOKUOIQSIVFOZ-ZIAGYGMSSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369657440 556660867 /nfs/dbraw/zinc/66/08/67/556660867.db2.gz BKOXKSQXZGNLGR-UAGQMJEPSA-N 1 0 374.441 2.229 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000369670099 556664103 /nfs/dbraw/zinc/66/41/03/556664103.db2.gz IYVWDUOJLMCVQG-UHFFFAOYSA-N 1 0 361.358 2.415 20 5 FEBDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975609 556746291 /nfs/dbraw/zinc/74/62/91/556746291.db2.gz SQTPOLPPNNUIFZ-NVXWUHKLSA-N 1 0 360.414 2.177 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000370059387 556769921 /nfs/dbraw/zinc/76/99/21/556769921.db2.gz HXRKNHYDDWETPJ-MRXNPFEDSA-N 1 0 360.414 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN(c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC000370094323 556778973 /nfs/dbraw/zinc/77/89/73/556778973.db2.gz XTDHLWKYEVWZBK-ZDUSSCGKSA-N 1 0 372.385 2.299 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679344 562054181 /nfs/dbraw/zinc/05/41/81/562054181.db2.gz QIJATOFKKHVSTR-HIFRSBDPSA-N 1 0 365.455 2.289 20 5 FEBDRO COCCC[N@@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000370539602 556903326 /nfs/dbraw/zinc/90/33/26/556903326.db2.gz MOVIKVWRSHFRAX-UHFFFAOYSA-N 1 0 373.251 2.301 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000516895790 562063129 /nfs/dbraw/zinc/06/31/29/562063129.db2.gz OJNDUIBAGBYRNB-AWEZNQCLSA-N 1 0 355.460 2.262 20 5 FEBDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998280 562070201 /nfs/dbraw/zinc/07/02/01/562070201.db2.gz SEQUFFHCVZBLCZ-UONOGXRCSA-N 1 0 363.414 2.376 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000370993825 557039633 /nfs/dbraw/zinc/03/96/33/557039633.db2.gz WZEMOWQBRLSMFU-PIIMJCKOSA-N 1 0 352.394 2.158 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283542 557130739 /nfs/dbraw/zinc/13/07/39/557130739.db2.gz LDIWWQKIUVKDCO-VQIMIIECSA-N 1 0 363.458 2.435 20 5 FEBDRO Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000371791941 557294886 /nfs/dbraw/zinc/29/48/86/557294886.db2.gz FGRANLYVZYMOGD-GOSISDBHSA-N 1 0 372.425 2.056 20 5 FEBDRO CN1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1=O ZINC000372547050 557499953 /nfs/dbraw/zinc/49/99/53/557499953.db2.gz MDUFNABKXLKSPA-SFHVURJKSA-N 1 0 371.397 2.089 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372958062 557597297 /nfs/dbraw/zinc/59/72/97/557597297.db2.gz BPPYEFSJIQHXQW-HOCLYGCPSA-N 1 0 358.442 2.022 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373065601 557620231 /nfs/dbraw/zinc/62/02/31/557620231.db2.gz IWJCOZDQEOBZQS-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000373289331 557665986 /nfs/dbraw/zinc/66/59/86/557665986.db2.gz QDXGEVMMCODEON-IAQYHMDHSA-N 1 0 361.427 2.288 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373307863 557669846 /nfs/dbraw/zinc/66/98/46/557669846.db2.gz LVBKKEYRBCNJIW-UHFFFAOYSA-N 1 0 357.414 2.330 20 5 FEBDRO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581221 557722274 /nfs/dbraw/zinc/72/22/74/557722274.db2.gz DVBRGBZVKHTSIF-SJLPKXTDSA-N 1 0 374.441 2.485 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000373765135 557753993 /nfs/dbraw/zinc/75/39/93/557753993.db2.gz GWTRQVBAAYTVCB-INIZCTEOSA-N 1 0 357.414 2.494 20 5 FEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373809056 557763617 /nfs/dbraw/zinc/76/36/17/557763617.db2.gz HQOHMUWKKAMYSF-KSSFIOAISA-N 1 0 363.414 2.193 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000520798209 562164007 /nfs/dbraw/zinc/16/40/07/562164007.db2.gz QTEFZVCFVDAJPC-GDBMZVCRSA-N 1 0 350.415 2.416 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374398713 557878890 /nfs/dbraw/zinc/87/88/90/557878890.db2.gz LBCQKIYZIMQJBS-BFHYXJOUSA-N 1 0 363.414 2.289 20 5 FEBDRO Cc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374434310 557883690 /nfs/dbraw/zinc/88/36/90/557883690.db2.gz FQFBHMKRTBUVAX-HNNXBMFYSA-N 1 0 362.386 2.416 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000374585913 557902754 /nfs/dbraw/zinc/90/27/54/557902754.db2.gz LMRQEVUGFCRAJB-IXKJSCDLSA-N 1 0 350.415 2.080 20 5 FEBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000374848679 557940686 /nfs/dbraw/zinc/94/06/86/557940686.db2.gz XEEWJIOCVBTGNX-UHFFFAOYSA-N 1 0 367.471 2.027 20 5 FEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374906015 557948925 /nfs/dbraw/zinc/94/89/25/557948925.db2.gz BLPWOBDBDUYRHX-YOEHRIQHSA-N 1 0 350.438 2.192 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374907944 557949209 /nfs/dbraw/zinc/94/92/09/557949209.db2.gz DFWANLANCNUEBB-NVXWUHKLSA-N 1 0 358.373 2.313 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)c1F ZINC000375163883 557985771 /nfs/dbraw/zinc/98/57/71/557985771.db2.gz ZBAORPJHNFNQSW-UHFFFAOYSA-N 1 0 361.377 2.758 20 5 FEBDRO Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000375237838 557996624 /nfs/dbraw/zinc/99/66/24/557996624.db2.gz GUMVWQSEDJBBDX-CZUORRHYSA-N 1 0 363.805 2.091 20 5 FEBDRO CCOc1cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000375430138 558025921 /nfs/dbraw/zinc/02/59/21/558025921.db2.gz WFZIAWLOHBYZPD-SJORKVTESA-N 1 0 363.458 2.415 20 5 FEBDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598428 558054727 /nfs/dbraw/zinc/05/47/27/558054727.db2.gz NGNDAQNEBNHWJF-XPKDYRNWSA-N 1 0 360.414 2.042 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000375828039 558085902 /nfs/dbraw/zinc/08/59/02/558085902.db2.gz ARNNNRVZXQKVMQ-MRXNPFEDSA-N 1 0 372.429 2.378 20 5 FEBDRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375968310 558107090 /nfs/dbraw/zinc/10/70/90/558107090.db2.gz LKOQMEIWHHDCKW-CQSZACIVSA-N 1 0 357.414 2.399 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000521597324 562179873 /nfs/dbraw/zinc/17/98/73/562179873.db2.gz XXMBNDGNFMHLLB-PKOBYXMFSA-N 1 0 359.426 2.227 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000521620314 562180574 /nfs/dbraw/zinc/18/05/74/562180574.db2.gz FYMBKNGRZMCUTL-LESCRADOSA-N 1 0 350.415 2.226 20 5 FEBDRO COc1ccc(OCCN2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128773 558130558 /nfs/dbraw/zinc/13/05/58/558130558.db2.gz HBZAUJDCEWQPKJ-RDTXWAMCSA-N 1 0 366.414 2.252 20 5 FEBDRO Cc1cc([C@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)n[nH]1 ZINC000376489687 558179912 /nfs/dbraw/zinc/17/99/12/558179912.db2.gz DRWGNKOISNZJFG-HNNXBMFYSA-N 1 0 369.425 2.395 20 5 FEBDRO CNc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000521860140 562185005 /nfs/dbraw/zinc/18/50/05/562185005.db2.gz YBZYLUTWIMJPKT-LSDHHAIUSA-N 1 0 358.373 2.343 20 5 FEBDRO Cc1cc(N2CCC[C@@H](N3CCNC3=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377349298 558321393 /nfs/dbraw/zinc/32/13/93/558321393.db2.gz YYLSYNUQHJGFPK-CQSZACIVSA-N 1 0 355.398 2.445 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@@H+]2C)cn1 ZINC000377693827 558399066 /nfs/dbraw/zinc/39/90/66/558399066.db2.gz CKWOITGVHFYSAO-DIFFPNOSSA-N 1 0 371.401 2.360 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cc(F)c3F)CC2)CCO1 ZINC000377842220 558433269 /nfs/dbraw/zinc/43/32/69/558433269.db2.gz CDFOFQDCAMBVKC-LLVKDONJSA-N 1 0 369.368 2.198 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862797 558437291 /nfs/dbraw/zinc/43/72/91/558437291.db2.gz ZEDZJFPIJLSEGV-GHMZBOCLSA-N 1 0 354.794 2.233 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000523286015 562210508 /nfs/dbraw/zinc/21/05/08/562210508.db2.gz WHKFQBDHUHKONW-HNNXBMFYSA-N 1 0 351.451 2.035 20 5 FEBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000378365281 558539494 /nfs/dbraw/zinc/53/94/94/558539494.db2.gz IZIKZZBWMOVBEU-VNHYZAJKSA-N 1 0 351.451 2.192 20 5 FEBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000378365278 558539975 /nfs/dbraw/zinc/53/99/75/558539975.db2.gz IZIKZZBWMOVBEU-GZBFAFLISA-N 1 0 351.451 2.192 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523538468 562215021 /nfs/dbraw/zinc/21/50/21/562215021.db2.gz GQTPXJLQACTPNG-UHFFFAOYSA-N 1 0 357.414 2.310 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000378495750 558569673 /nfs/dbraw/zinc/56/96/73/558569673.db2.gz MLYHAZUWIMOACI-QFBILLFUSA-N 1 0 358.394 2.274 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1 ZINC000395426120 558622820 /nfs/dbraw/zinc/62/28/20/558622820.db2.gz OGYGNZZOWDHBLA-UHFFFAOYSA-N 1 0 369.425 2.357 20 5 FEBDRO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)c21 ZINC000409522061 558700088 /nfs/dbraw/zinc/70/00/88/558700088.db2.gz QJJSOMIBNYXRAE-AWEZNQCLSA-N 1 0 357.414 2.087 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524700368 562232602 /nfs/dbraw/zinc/23/26/02/562232602.db2.gz BIKWEHNWAMXQEA-MRXNPFEDSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524775499 562234369 /nfs/dbraw/zinc/23/43/69/562234369.db2.gz YZQLFNOZFIZERV-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO COc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000525060011 562239942 /nfs/dbraw/zinc/23/99/42/562239942.db2.gz MQZZNPWIJROQPS-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000411218532 558854990 /nfs/dbraw/zinc/85/49/90/558854990.db2.gz YTGYCBCRHWJQHP-CQSZACIVSA-N 1 0 374.441 2.283 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000411313146 558874685 /nfs/dbraw/zinc/87/46/85/558874685.db2.gz AADRBEYRJVFPAT-CZUORRHYSA-N 1 0 363.414 2.433 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000525493429 562249365 /nfs/dbraw/zinc/24/93/65/562249365.db2.gz ZXUGQYBRRADAGL-LJQANCHMSA-N 1 0 370.409 2.353 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501284 562249452 /nfs/dbraw/zinc/24/94/52/562249452.db2.gz VQIBJVAKBQNQTK-JSGCOSHPSA-N 1 0 363.414 2.311 20 5 FEBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411438434 558895102 /nfs/dbraw/zinc/89/51/02/558895102.db2.gz KFFZNCLTAQKILR-UHFFFAOYSA-N 1 0 364.446 2.454 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525678221 562251827 /nfs/dbraw/zinc/25/18/27/562251827.db2.gz UKJKLYZYKSCAQC-ZDUSSCGKSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411601730 558927146 /nfs/dbraw/zinc/92/71/46/558927146.db2.gz BBDQZWNYIGQTED-RWMBFGLXSA-N 1 0 351.403 2.430 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+]C(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000411866635 558978881 /nfs/dbraw/zinc/97/88/81/558978881.db2.gz ICGWHZUFNKAXGK-UHFFFAOYSA-N 1 0 364.446 2.396 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411969245 558997065 /nfs/dbraw/zinc/99/70/65/558997065.db2.gz QEIWOGKKUZHEGV-IBGZPJMESA-N 1 0 355.394 2.232 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411973294 558997907 /nfs/dbraw/zinc/99/79/07/558997907.db2.gz XBHQQUFLSKNPFJ-LJQANCHMSA-N 1 0 355.394 2.232 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158602 559017483 /nfs/dbraw/zinc/01/74/83/559017483.db2.gz IBDYPVAFBTWPIX-OLZOCXBDSA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1F ZINC000412343914 559029289 /nfs/dbraw/zinc/02/92/89/559029289.db2.gz WPFUQEVICJDNBF-QWHCGFSZSA-N 1 0 365.405 2.370 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000413182074 559086359 /nfs/dbraw/zinc/08/63/59/559086359.db2.gz RSARIGMLWOCFQF-NSHDSACASA-N 1 0 360.336 2.167 20 5 FEBDRO Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000413486690 559111617 /nfs/dbraw/zinc/11/16/17/559111617.db2.gz YLKQJLHMXUZHCO-UHFFFAOYSA-N 1 0 366.437 2.251 20 5 FEBDRO C[NH+](C)CCCNS(=O)(=O)c1ccc(N[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000413503117 559112557 /nfs/dbraw/zinc/11/25/57/559112557.db2.gz OLWPEBBGIVBWJQ-HNNXBMFYSA-N 1 0 370.475 2.035 20 5 FEBDRO CS(=O)(=O)c1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000414446303 559164433 /nfs/dbraw/zinc/16/44/33/559164433.db2.gz YDYZIVCLMKICSZ-UHFFFAOYSA-N 1 0 355.441 2.025 20 5 FEBDRO COC(=O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+](C)C1 ZINC000414480055 559167731 /nfs/dbraw/zinc/16/77/31/559167731.db2.gz ANHCQCSWALPADY-HNNXBMFYSA-N 1 0 373.409 2.391 20 5 FEBDRO C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000414939075 559196080 /nfs/dbraw/zinc/19/60/80/559196080.db2.gz GAADCZLIEXCDOR-LBPRGKRZSA-N 1 0 368.393 2.138 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000414945412 559196506 /nfs/dbraw/zinc/19/65/06/559196506.db2.gz IGULZXZQYQULLF-NXEZZACHSA-N 1 0 356.329 2.269 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)F ZINC000414950358 559196557 /nfs/dbraw/zinc/19/65/57/559196557.db2.gz ONHHWLHAODDWHN-SSDOTTSWSA-N 1 0 354.260 2.300 20 5 FEBDRO Cn1cc(CN[C@H](CC[NH3+])C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415062575 559203212 /nfs/dbraw/zinc/20/32/12/559203212.db2.gz YPNJYQRWBISJKL-CYBMUJFWSA-N 1 0 357.336 2.365 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC[C@H]2CCC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415606274 559254770 /nfs/dbraw/zinc/25/47/70/559254770.db2.gz YKBUMDJNIKMRMC-GFCCVEGCSA-N 1 0 364.402 2.201 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415632947 559256717 /nfs/dbraw/zinc/25/67/17/559256717.db2.gz PNXMILSMQJZHHU-HZPDHXFCSA-N 1 0 366.393 2.484 20 5 FEBDRO C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415770577 559269587 /nfs/dbraw/zinc/26/95/87/559269587.db2.gz BPWRRWUPUOYZKH-LLVKDONJSA-N 1 0 350.419 2.074 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308312 559304864 /nfs/dbraw/zinc/30/48/64/559304864.db2.gz QDPBGDALAWKZJU-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416380394 559308766 /nfs/dbraw/zinc/30/87/66/559308766.db2.gz AHFNZFAOCJDHAW-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416512047 559319030 /nfs/dbraw/zinc/31/90/30/559319030.db2.gz OKSWFJBRYPKJNP-UHFFFAOYSA-N 1 0 369.365 2.232 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416550680 559321170 /nfs/dbraw/zinc/32/11/70/559321170.db2.gz FXPXIUQKVDCNPZ-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417189107 559352120 /nfs/dbraw/zinc/35/21/20/559352120.db2.gz WKDKYTKHNMLBGF-HNNXBMFYSA-N 1 0 350.419 2.181 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000417724884 559374155 /nfs/dbraw/zinc/37/41/55/559374155.db2.gz ZPJOCCSKHMNXBW-GJZGRUSLSA-N 1 0 361.446 2.099 20 5 FEBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418786204 559416062 /nfs/dbraw/zinc/41/60/62/559416062.db2.gz IQUBGRKWLVGYOG-UONOGXRCSA-N 1 0 362.430 2.275 20 5 FEBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420174758 559475744 /nfs/dbraw/zinc/47/57/44/559475744.db2.gz UBMIPXWNEFTNBG-SECBINFHSA-N 1 0 361.229 2.193 20 5 FEBDRO C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420262719 559478048 /nfs/dbraw/zinc/47/80/48/559478048.db2.gz RWVDWDDXIXMCRW-GXTWGEPZSA-N 1 0 357.414 2.123 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279906 559478665 /nfs/dbraw/zinc/47/86/65/559478665.db2.gz XRJSHEHQOKYRDN-WFASDCNBSA-N 1 0 350.419 2.134 20 5 FEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420307825 559479517 /nfs/dbraw/zinc/47/95/17/559479517.db2.gz MTDYITPBODORNV-AWEZNQCLSA-N 1 0 350.419 2.006 20 5 FEBDRO [NH3+]CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000420320932 559480203 /nfs/dbraw/zinc/48/02/03/559480203.db2.gz UPCKKMQQPXXJJL-UHFFFAOYSA-N 1 0 356.426 2.427 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420366915 559483440 /nfs/dbraw/zinc/48/34/40/559483440.db2.gz VFJCBWHXAHSZNA-OAHLLOKOSA-N 1 0 350.419 2.039 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420399018 559485547 /nfs/dbraw/zinc/48/55/47/559485547.db2.gz HLARHYYWVMXVGU-SFHVURJKSA-N 1 0 370.409 2.188 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000420440995 559487449 /nfs/dbraw/zinc/48/74/49/559487449.db2.gz CIDVJFZDQUMIHN-ZDUSSCGKSA-N 1 0 363.439 2.277 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420449894 559487936 /nfs/dbraw/zinc/48/79/36/559487936.db2.gz GOQNSSTUJMJHLW-PSASIEDQSA-N 1 0 367.349 2.019 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2CN1 ZINC000420457545 559488539 /nfs/dbraw/zinc/48/85/39/559488539.db2.gz ISMURJAEHQMAQN-NSHDSACASA-N 1 0 365.386 2.421 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000420761918 559503023 /nfs/dbraw/zinc/50/30/23/559503023.db2.gz HPBOPBCYXRGCDD-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420991857 559518098 /nfs/dbraw/zinc/51/80/98/559518098.db2.gz JUPNUUQYDFEUFK-CQSZACIVSA-N 1 0 363.414 2.311 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000421684840 559549418 /nfs/dbraw/zinc/54/94/18/559549418.db2.gz MBKLQXBSVSHTON-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC[NH2+]C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000422863812 559608959 /nfs/dbraw/zinc/60/89/59/559608959.db2.gz SGUZQWCDPOLMBP-UHFFFAOYSA-N 1 0 363.414 2.424 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc([N+](=O)[O-])c1 ZINC000422898446 559610482 /nfs/dbraw/zinc/61/04/82/559610482.db2.gz LYOUAXSPMHEDNA-OAHLLOKOSA-N 1 0 351.403 2.217 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423953266 559647826 /nfs/dbraw/zinc/64/78/26/559647826.db2.gz AYJJTCIPUFJODU-OAHLLOKOSA-N 1 0 371.393 2.358 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000423999434 559650037 /nfs/dbraw/zinc/65/00/37/559650037.db2.gz KGUKKCLZJDVLKM-HOCLYGCPSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+]C1(c2noc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424338952 559661597 /nfs/dbraw/zinc/66/15/97/559661597.db2.gz BNFSNHOSUDDERP-UHFFFAOYSA-N 1 0 355.358 2.344 20 5 FEBDRO COCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000425954749 559725876 /nfs/dbraw/zinc/72/58/76/559725876.db2.gz XASOBTSPFYZIPL-GJZGRUSLSA-N 1 0 352.435 2.308 20 5 FEBDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000427130382 559748688 /nfs/dbraw/zinc/74/86/88/559748688.db2.gz HWUUMIJHIFZVKS-PWSUYJOCSA-N 1 0 357.357 2.389 20 5 FEBDRO O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000428361554 559773845 /nfs/dbraw/zinc/77/38/45/559773845.db2.gz URLHDXPOLXHTDZ-SNVBAGLBSA-N 1 0 365.187 2.299 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429351048 559796608 /nfs/dbraw/zinc/79/66/08/559796608.db2.gz RQQWRHMIILKHQP-OAHLLOKOSA-N 1 0 372.429 2.112 20 5 FEBDRO Cc1cc(OCC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000432118885 559852512 /nfs/dbraw/zinc/85/25/12/559852512.db2.gz YNQIZGPJHBGHJT-MRXNPFEDSA-N 1 0 361.442 2.472 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432326717 559856336 /nfs/dbraw/zinc/85/63/36/559856336.db2.gz CYQQFLWXWBHXTP-MRXNPFEDSA-N 1 0 372.425 2.320 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000434422380 559900161 /nfs/dbraw/zinc/90/01/61/559900161.db2.gz AMLZFGZZOCFXMZ-OAHLLOKOSA-N 1 0 361.398 2.128 20 5 FEBDRO CCOC(=O)CC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000434620633 559903865 /nfs/dbraw/zinc/90/38/65/559903865.db2.gz YQAXSLIQKCRKSP-UHFFFAOYSA-N 1 0 363.414 2.413 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1CCO ZINC000438651437 559981753 /nfs/dbraw/zinc/98/17/53/559981753.db2.gz JMJRPGXFZSULJD-AWEZNQCLSA-N 1 0 353.444 2.032 20 5 FEBDRO CCOC(=O)[C@@]1(COC)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000439485413 559995566 /nfs/dbraw/zinc/99/55/66/559995566.db2.gz SLEGVPAWDZOXAX-SFHVURJKSA-N 1 0 366.414 2.265 20 5 FEBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000443994805 560098751 /nfs/dbraw/zinc/09/87/51/560098751.db2.gz TTXFFMGNODGDBJ-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446082310 560139666 /nfs/dbraw/zinc/13/96/66/560139666.db2.gz QHLYQDONGCLOEY-ZDUSSCGKSA-N 1 0 355.822 2.397 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(=NCC3([NH+]4CCOCC4)CCCCC3)[nH]c2c1 ZINC000447669453 560166426 /nfs/dbraw/zinc/16/64/26/560166426.db2.gz GCJMDKRXPICARB-UHFFFAOYSA-N 1 0 359.430 2.340 20 5 FEBDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])cnc3N)cccc21 ZINC000447727659 560167933 /nfs/dbraw/zinc/16/79/33/560167933.db2.gz JVUFDCMUQDYRQE-AWEZNQCLSA-N 1 0 357.370 2.210 20 5 FEBDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449070654 560214902 /nfs/dbraw/zinc/21/49/02/560214902.db2.gz LCAZVMVNOCRURI-SECBINFHSA-N 1 0 360.336 2.282 20 5 FEBDRO CCCNC(=O)CN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449075672 560215130 /nfs/dbraw/zinc/21/51/30/560215130.db2.gz FVXVBDPHQVUSPK-HNNXBMFYSA-N 1 0 362.474 2.106 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000449099898 560215895 /nfs/dbraw/zinc/21/58/95/560215895.db2.gz PFLULRURGVCJHO-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000449098748 560215982 /nfs/dbraw/zinc/21/59/82/560215982.db2.gz KOOBTSZDYPDDFW-OAHLLOKOSA-N 1 0 353.444 2.186 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493642 560231777 /nfs/dbraw/zinc/23/17/77/560231777.db2.gz FHCWCCFEZFNBHG-IUODEOHRSA-N 1 0 352.387 2.003 20 5 FEBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000449518488 560232416 /nfs/dbraw/zinc/23/24/16/560232416.db2.gz AGRBIEHXUJNIDD-OKILXGFUSA-N 1 0 357.391 2.028 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449757173 560239185 /nfs/dbraw/zinc/23/91/85/560239185.db2.gz XQLONJZHGQZMOU-CQSZACIVSA-N 1 0 353.444 2.093 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450257809 560256111 /nfs/dbraw/zinc/25/61/11/560256111.db2.gz XNTQFLNHBUUSPR-UHFFFAOYSA-N 1 0 359.430 3.026 20 5 FEBDRO Cc1nc(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450352766 560259524 /nfs/dbraw/zinc/25/95/24/560259524.db2.gz ZNECIQUDCXZRPM-CQSZACIVSA-N 1 0 356.430 2.316 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000450503966 560264264 /nfs/dbraw/zinc/26/42/64/560264264.db2.gz YSOUXNWMFGBZKO-UHFFFAOYSA-N 1 0 373.457 2.011 20 5 FEBDRO CC(=O)Nc1ccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)cc1 ZINC000450790626 560273298 /nfs/dbraw/zinc/27/32/98/560273298.db2.gz YZUPQUPBBXSKMK-UHFFFAOYSA-N 1 0 370.413 2.420 20 5 FEBDRO COc1ccc(OCC[NH2+][C@](C)(CO)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000451033478 560283771 /nfs/dbraw/zinc/28/37/71/560283771.db2.gz UMEDWOFJOLOVLF-GOSISDBHSA-N 1 0 362.382 2.185 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414362 560305647 /nfs/dbraw/zinc/30/56/47/560305647.db2.gz IFHCCORKGVCBRO-NXHRZFHOSA-N 1 0 359.426 2.109 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451425454 560306152 /nfs/dbraw/zinc/30/61/52/560306152.db2.gz UEQHCHLXWXRCJS-FRFSOERESA-N 1 0 363.414 2.167 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902930 560335946 /nfs/dbraw/zinc/33/59/46/560335946.db2.gz IOECPUIPBIQTDV-YGRLFVJLSA-N 1 0 364.320 2.227 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451904434 560336222 /nfs/dbraw/zinc/33/62/22/560336222.db2.gz QTBNCUATUKPAHI-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452106686 560351730 /nfs/dbraw/zinc/35/17/30/560351730.db2.gz QVQODSKJVVVQGF-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453582065 560389538 /nfs/dbraw/zinc/38/95/38/560389538.db2.gz NHAUBJFIPJNWRG-CQSZACIVSA-N 1 0 366.414 2.441 20 5 FEBDRO CNc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000454161790 560432742 /nfs/dbraw/zinc/43/27/42/560432742.db2.gz FNHPHTKOGARAIX-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454531947 560448464 /nfs/dbraw/zinc/44/84/64/560448464.db2.gz UJCXJFHEWHCSFG-AWEZNQCLSA-N 1 0 364.446 2.456 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000457128055 560551457 /nfs/dbraw/zinc/55/14/57/560551457.db2.gz RVXPMQZDOSUVAH-ZDUSSCGKSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457905598 560593366 /nfs/dbraw/zinc/59/33/66/560593366.db2.gz URYCPRLLPFDNOO-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000464555151 560845384 /nfs/dbraw/zinc/84/53/84/560845384.db2.gz OFEJDZITCZESEH-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000467072579 560902902 /nfs/dbraw/zinc/90/29/02/560902902.db2.gz BQNLHEJMNZJMSJ-PWSUYJOCSA-N 1 0 361.489 2.458 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000470174214 560976081 /nfs/dbraw/zinc/97/60/81/560976081.db2.gz IZAMQPFVRCSMFB-SSZFMOIBSA-N 1 0 360.458 2.094 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000470363906 560979461 /nfs/dbraw/zinc/97/94/61/560979461.db2.gz JQWDVFOTSNTTKJ-CYBMUJFWSA-N 1 0 352.774 2.483 20 5 FEBDRO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ncc[nH]1 ZINC000471073305 560997695 /nfs/dbraw/zinc/99/76/95/560997695.db2.gz VZYHSJZWLZEEPJ-MRXNPFEDSA-N 1 0 372.429 2.025 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000471170104 560999639 /nfs/dbraw/zinc/99/96/39/560999639.db2.gz SSEMKUIAVIZWRU-ZDUSSCGKSA-N 1 0 371.397 2.496 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000471574587 561007545 /nfs/dbraw/zinc/00/75/45/561007545.db2.gz QXRIQASLOIAAHK-MRXNPFEDSA-N 1 0 353.394 2.307 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccccc2OCCO)n1 ZINC000472620035 561031222 /nfs/dbraw/zinc/03/12/22/561031222.db2.gz GXEWEVOLHTYVKI-CVEARBPZSA-N 1 0 360.414 2.436 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000472633912 561031449 /nfs/dbraw/zinc/03/14/49/561031449.db2.gz UPNYVRWNBVMJIL-CXMBCZLWSA-N 1 0 351.403 2.071 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473178212 561043604 /nfs/dbraw/zinc/04/36/04/561043604.db2.gz PZYCEQDTWGYZOG-CQSZACIVSA-N 1 0 365.411 2.317 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473999623 561063175 /nfs/dbraw/zinc/06/31/75/561063175.db2.gz GACKVHQWLITACM-OCCSQVGLSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccncc2C)cc1[N+](=O)[O-] ZINC000473996215 561063227 /nfs/dbraw/zinc/06/32/27/561063227.db2.gz WHZJKCWOBYMIPL-UHFFFAOYSA-N 1 0 359.382 2.182 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474004448 561063297 /nfs/dbraw/zinc/06/32/97/561063297.db2.gz GOXZYOVEDAHONN-SSKCKEOISA-N 1 0 366.414 2.296 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000474350083 561071916 /nfs/dbraw/zinc/07/19/16/561071916.db2.gz AUHGNOWEISPFSO-YJBOKZPZSA-N 1 0 366.414 2.440 20 5 FEBDRO COC(=O)c1cc(NC[C@@H](C)C[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000474787114 561082842 /nfs/dbraw/zinc/08/28/42/561082842.db2.gz FSIWIZXGRXPNEI-GFCCVEGCSA-N 1 0 351.403 2.070 20 5 FEBDRO COC(=O)c1cc(N2CCC(OCC[NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000474786606 561082899 /nfs/dbraw/zinc/08/28/99/561082899.db2.gz ANRFAYMTZSMQST-UHFFFAOYSA-N 1 0 365.430 2.237 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475097280 561090325 /nfs/dbraw/zinc/09/03/25/561090325.db2.gz YUKSSYMNGBJKGQ-HOCLYGCPSA-N 1 0 366.414 2.130 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2CSC)cc1[N+](=O)[O-] ZINC000475697617 561102565 /nfs/dbraw/zinc/10/25/65/561102565.db2.gz HCJCVYDBGGRQDX-CYBMUJFWSA-N 1 0 354.428 2.474 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000476211568 561113240 /nfs/dbraw/zinc/11/32/40/561113240.db2.gz VYBHXPJYWUCBDB-UHFFFAOYSA-N 1 0 364.446 2.256 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000476387285 561118176 /nfs/dbraw/zinc/11/81/76/561118176.db2.gz SDBQVSLBGJVTCZ-MQVJKMGUSA-N 1 0 369.425 2.254 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000531768412 562456051 /nfs/dbraw/zinc/45/60/51/562456051.db2.gz WLIJTZAIUQOJGV-UONOGXRCSA-N 1 0 361.398 2.346 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000533309682 562504944 /nfs/dbraw/zinc/50/49/44/562504944.db2.gz VAFIFZSWMLAAOI-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866401 562520095 /nfs/dbraw/zinc/52/00/95/562520095.db2.gz DMVBHWIZNYIMKD-CYBMUJFWSA-N 1 0 354.370 2.368 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866800 562520161 /nfs/dbraw/zinc/52/01/61/562520161.db2.gz MSQAWPIIPKYAJG-ZDUSSCGKSA-N 1 0 373.413 2.155 20 5 FEBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313878 562555821 /nfs/dbraw/zinc/55/58/21/562555821.db2.gz PCHKQQLJBDKHPT-ZDUSSCGKSA-N 1 0 354.370 2.368 20 5 FEBDRO Cn1cc(C[N@@H+]2CCSC[C@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535825621 562568918 /nfs/dbraw/zinc/56/89/18/562568918.db2.gz INQIFTPNUOSYIQ-MRXNPFEDSA-N 1 0 362.455 2.295 20 5 FEBDRO CN(CCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc[nH+]cc1 ZINC000541858332 568028261 /nfs/dbraw/zinc/02/82/61/568028261.db2.gz ZORLCLYPTCZZJD-UHFFFAOYSA-N 1 0 369.425 2.165 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000568501660 568038370 /nfs/dbraw/zinc/03/83/70/568038370.db2.gz VXVNSFFXEBEMJN-KRWDZBQOSA-N 1 0 374.393 2.336 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000568823098 568229826 /nfs/dbraw/zinc/22/98/26/568229826.db2.gz CKUPEBQKLMYDRH-LBPRGKRZSA-N 1 0 364.402 2.153 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000569109337 568277686 /nfs/dbraw/zinc/27/76/86/568277686.db2.gz ZKDXULBLDAFNPG-DVNIYVAHSA-N 1 0 357.414 2.419 20 5 FEBDRO Cc1cccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)c1 ZINC000569450404 568402806 /nfs/dbraw/zinc/40/28/06/568402806.db2.gz ZUXDIICZJHOFRX-IEBWSBKVSA-N 1 0 367.409 2.235 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736239786 598498577 /nfs/dbraw/zinc/49/85/77/598498577.db2.gz XVJWBBUVLKPPFK-XQQFMLRXSA-N 1 0 372.433 2.012 20 5 FEBDRO C[C@H]1CC[C@@H]1Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000557727238 674462862 /nfs/dbraw/zinc/46/28/62/674462862.db2.gz GXQCWCUHHUDHIH-JSGCOSHPSA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@H]1C[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668332 599589519 /nfs/dbraw/zinc/58/95/19/599589519.db2.gz RRSRBDHPYDHNRV-QWRGUYRKSA-N 1 0 368.401 2.218 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820686571 606699393 /nfs/dbraw/zinc/69/93/93/606699393.db2.gz YKMXGSBRQQSZEQ-FRRDWIJNSA-N 1 0 372.433 2.012 20 5 FEBDRO COc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851657 674565194 /nfs/dbraw/zinc/56/51/94/674565194.db2.gz MWCZTECTYFJOFJ-NWDGAFQWSA-N 1 0 350.371 2.396 20 5 FEBDRO CSC1(CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000812256681 674659446 /nfs/dbraw/zinc/65/94/46/674659446.db2.gz UXDWOAXDSNQJNO-UHFFFAOYSA-N 1 0 359.398 2.430 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000562885698 674819770 /nfs/dbraw/zinc/81/97/70/674819770.db2.gz BFOUNUXOGVRIRA-STQMWFEESA-N 1 0 351.403 2.293 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOc2ccccc2F)cc1 ZINC000564118086 674975090 /nfs/dbraw/zinc/97/50/90/674975090.db2.gz CFBPPUUKSCFZCW-UHFFFAOYSA-N 1 0 368.386 2.176 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@H]2CCCC[C@@H]2O)cc1 ZINC000564975327 675083834 /nfs/dbraw/zinc/08/38/34/675083834.db2.gz LRSRVMMCDQMODY-PBHICJAKSA-N 1 0 370.471 2.289 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000816950189 675089900 /nfs/dbraw/zinc/08/99/00/675089900.db2.gz MZKFCBOCARPTIF-PRHODGIISA-N 1 0 372.194 2.273 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000565598359 675135537 /nfs/dbraw/zinc/13/55/37/675135537.db2.gz WOFVPZXFVIGGHZ-IUODEOHRSA-N 1 0 362.407 2.480 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1[N+](=O)[O-] ZINC000571881128 670936209 /nfs/dbraw/zinc/93/62/09/670936209.db2.gz LRZHHMQLRLLQNQ-CQSZACIVSA-N 1 0 362.407 2.228 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000573323401 671109300 /nfs/dbraw/zinc/10/93/00/671109300.db2.gz GUOISVHJSBOMGN-ZBFHGGJFSA-N 1 0 367.471 2.310 20 5 FEBDRO COc1ccc(F)cc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573438943 671122875 /nfs/dbraw/zinc/12/28/75/671122875.db2.gz KWJRTCKYLCABDN-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000573473464 671127215 /nfs/dbraw/zinc/12/72/15/671127215.db2.gz RSLAYHQMJLDBHU-LBPRGKRZSA-N 1 0 359.213 2.291 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000574087671 671200991 /nfs/dbraw/zinc/20/09/91/671200991.db2.gz QZJKHHRHEAQLEE-UHFFFAOYSA-N 1 0 363.336 2.264 20 5 FEBDRO CO[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000566099140 675180506 /nfs/dbraw/zinc/18/05/06/675180506.db2.gz OECDHOYNSCUQKM-MNOVXSKESA-N 1 0 361.320 2.192 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818002407 675189741 /nfs/dbraw/zinc/18/97/41/675189741.db2.gz YDQMNDOVGHIPSW-ZDUSSCGKSA-N 1 0 350.375 2.367 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1cccc(F)c1 ZINC000576028991 671338597 /nfs/dbraw/zinc/33/85/97/671338597.db2.gz KBBVYURDLMLABM-AWEZNQCLSA-N 1 0 350.346 2.142 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000576744261 671391119 /nfs/dbraw/zinc/39/11/19/671391119.db2.gz JSLDUQKJQMPHRJ-LBPRGKRZSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1ccsc1 ZINC000608811915 675904349 /nfs/dbraw/zinc/90/43/49/675904349.db2.gz WOCUOCORKRHYNW-ZDUSSCGKSA-N 1 0 351.432 2.007 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000578758230 671687893 /nfs/dbraw/zinc/68/78/93/671687893.db2.gz BCEINTNBXKYYBN-OCCSQVGLSA-N 1 0 367.471 2.470 20 5 FEBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000579166017 671716345 /nfs/dbraw/zinc/71/63/45/671716345.db2.gz BKBIHGMZJVARRT-GFCCVEGCSA-N 1 0 364.183 2.306 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000579704667 671754678 /nfs/dbraw/zinc/75/46/78/671754678.db2.gz DANPDIZMDKJCRX-KBPBESRZSA-N 1 0 358.320 2.088 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580043162 671778272 /nfs/dbraw/zinc/77/82/72/671778272.db2.gz XBXIFRTWJDIXDX-AWEZNQCLSA-N 1 0 350.419 2.099 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000581326242 671885223 /nfs/dbraw/zinc/88/52/23/671885223.db2.gz JHXMWLJMOKOCFE-LBPRGKRZSA-N 1 0 365.821 2.355 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581343302 671886350 /nfs/dbraw/zinc/88/63/50/671886350.db2.gz KUUYFCBJQIAEEN-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134980 675956339 /nfs/dbraw/zinc/95/63/39/675956339.db2.gz ICEHETOULDFPGK-KBPBESRZSA-N 1 0 355.460 2.397 20 5 FEBDRO CN1CC[NH+](CCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000582007910 671958678 /nfs/dbraw/zinc/95/86/78/671958678.db2.gz POZAMKCHGWJCPQ-HNNXBMFYSA-N 1 0 360.380 2.425 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000582241083 671981669 /nfs/dbraw/zinc/98/16/69/671981669.db2.gz AKHGUTYRTSWERW-UHFFFAOYSA-N 1 0 355.460 2.266 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1F ZINC000582406729 671999478 /nfs/dbraw/zinc/99/94/78/671999478.db2.gz VMTIYBVOEVGMCT-GFCCVEGCSA-N 1 0 353.394 2.132 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000583079593 672061468 /nfs/dbraw/zinc/06/14/68/672061468.db2.gz ZDRPPBCLFXBAJD-MRXNPFEDSA-N 1 0 352.337 2.445 20 5 FEBDRO C[NH+](C)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000583208727 672074080 /nfs/dbraw/zinc/07/40/80/672074080.db2.gz NJZXXIOXJNWTBI-LLVKDONJSA-N 1 0 351.794 2.047 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610576880 675982490 /nfs/dbraw/zinc/98/24/90/675982490.db2.gz AOJNINISAGNYMQ-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610768610 675995617 /nfs/dbraw/zinc/99/56/17/675995617.db2.gz AAYVNLHEVVTYSY-OAHLLOKOSA-N 1 0 365.455 2.056 20 5 FEBDRO Cc1nn(C)c(C(=O)N(CC[NH+]2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000588177247 672455690 /nfs/dbraw/zinc/45/56/90/672455690.db2.gz DCXVSIZIJJKVEY-UHFFFAOYSA-N 1 0 351.451 2.363 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000588820902 672483981 /nfs/dbraw/zinc/48/39/81/672483981.db2.gz ULLSXUHRNINQMO-HUUCEWRRSA-N 1 0 351.451 2.299 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1SC ZINC000590567128 672590254 /nfs/dbraw/zinc/59/02/54/672590254.db2.gz XQCGAROWQZYPHF-CMPLNLGQSA-N 1 0 353.444 2.490 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590589140 672593330 /nfs/dbraw/zinc/59/33/30/672593330.db2.gz MDOYPANPZNEPBM-MFKMUULPSA-N 1 0 361.851 2.270 20 5 FEBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590594232 672594437 /nfs/dbraw/zinc/59/44/37/672594437.db2.gz NWRQLKXUXHRIHB-UHFFFAOYSA-N 1 0 369.487 2.177 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591586673 672692388 /nfs/dbraw/zinc/69/23/88/672692388.db2.gz HARIRFXHBLKSTI-CYBMUJFWSA-N 1 0 365.455 2.348 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000591667249 672699048 /nfs/dbraw/zinc/69/90/48/672699048.db2.gz HNUDTXTXFQDQJC-CQSZACIVSA-N 1 0 367.471 2.364 20 5 FEBDRO CC1CC[NH+](CCCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000194214566 672752510 /nfs/dbraw/zinc/75/25/10/672752510.db2.gz IVNJHLXSHIIMMG-UHFFFAOYSA-N 1 0 370.475 2.166 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 ZINC000592309089 672784641 /nfs/dbraw/zinc/78/46/41/672784641.db2.gz PGNRHMYHHFYHAS-GFCCVEGCSA-N 1 0 363.395 2.418 20 5 FEBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000592329950 672788429 /nfs/dbraw/zinc/78/84/29/672788429.db2.gz DZDDBYFZFBSUAP-SNVBAGLBSA-N 1 0 361.320 2.408 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592545161 672813338 /nfs/dbraw/zinc/81/33/38/672813338.db2.gz OJLGXFYOJBLDEB-GVXVVHGQSA-N 1 0 353.806 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000261897317 672905004 /nfs/dbraw/zinc/90/50/04/672905004.db2.gz WECSETYEIWEXIH-MNOVXSKESA-N 1 0 361.851 2.447 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534728 672936169 /nfs/dbraw/zinc/93/61/69/672936169.db2.gz RJWZHERYLZHWSD-UMVBOHGHSA-N 1 0 368.459 2.016 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483275 676084091 /nfs/dbraw/zinc/08/40/91/676084091.db2.gz NQBZGAGUFPVZAS-QWHCGFSZSA-N 1 0 353.394 2.064 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)c1[N+](=O)[O-] ZINC000593730749 672984482 /nfs/dbraw/zinc/98/44/82/672984482.db2.gz ZOSSOJRWUKEMQV-UHFFFAOYSA-N 1 0 367.402 2.288 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484924 673088255 /nfs/dbraw/zinc/08/82/55/673088255.db2.gz YCUIECZGBCMNTJ-KBPBESRZSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000725825295 673092899 /nfs/dbraw/zinc/09/28/99/673092899.db2.gz WVRPYTBXBHDUNH-NWDGAFQWSA-N 1 0 359.835 2.153 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778244 673139119 /nfs/dbraw/zinc/13/91/19/673139119.db2.gz FPXPDQLHZNICLL-UHFFFAOYSA-N 1 0 370.475 2.267 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000594865372 673170869 /nfs/dbraw/zinc/17/08/69/673170869.db2.gz XNMJIPKSGYTECX-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424029045 673203279 /nfs/dbraw/zinc/20/32/79/673203279.db2.gz OSLPYEXEDLOXDJ-OAHLLOKOSA-N 1 0 368.231 2.254 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)ccc1[N+](=O)[O-] ZINC000595589122 673270580 /nfs/dbraw/zinc/27/05/80/673270580.db2.gz VBGTVMNSYHFLEU-KRWDZBQOSA-N 1 0 350.415 2.261 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(C)(OC)CC2)cc1[N+](=O)[O-] ZINC000463032289 673293483 /nfs/dbraw/zinc/29/34/83/673293483.db2.gz HVAQXGBDZAXRGU-UHFFFAOYSA-N 1 0 352.387 2.148 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595907195 673337196 /nfs/dbraw/zinc/33/71/96/673337196.db2.gz SMVAOLIQASKOSP-GOSISDBHSA-N 1 0 351.447 2.406 20 5 FEBDRO COC(=O)c1c(Cl)c(NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596063777 673354900 /nfs/dbraw/zinc/35/49/00/673354900.db2.gz XQMBTYHIQUKZOH-UHFFFAOYSA-N 1 0 370.837 2.084 20 5 FEBDRO COc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000596070714 673355762 /nfs/dbraw/zinc/35/57/62/673355762.db2.gz SFZOCUISBHNFPD-UHFFFAOYSA-N 1 0 364.423 2.475 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732213510 673357649 /nfs/dbraw/zinc/35/76/49/673357649.db2.gz DVAPYEODVCMVBF-ZDUSSCGKSA-N 1 0 352.822 2.355 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596307672 673376240 /nfs/dbraw/zinc/37/62/40/673376240.db2.gz NYTINZGWNWMGFL-LBPRGKRZSA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)[NH+](C)C ZINC000596425636 673384420 /nfs/dbraw/zinc/38/44/20/673384420.db2.gz SWQSMJUSFZCVOR-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000733300858 673407688 /nfs/dbraw/zinc/40/76/88/673407688.db2.gz XARNARNDMLFNPG-UHFFFAOYSA-N 1 0 352.391 2.271 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000539246811 673481045 /nfs/dbraw/zinc/48/10/45/673481045.db2.gz QWQXONWCFPIPML-JQWIXIFHSA-N 1 0 356.329 2.104 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000540476420 673541551 /nfs/dbraw/zinc/54/15/51/673541551.db2.gz NMGHOXRSDQXYMF-QSJFSLAZSA-N 1 0 351.447 2.024 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000598540310 673580469 /nfs/dbraw/zinc/58/04/69/673580469.db2.gz CUJQPSCAIGFBIM-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CCC[N@@H+](C3CCCC3)CC2)cc1Br ZINC000738270341 673614434 /nfs/dbraw/zinc/61/44/34/673614434.db2.gz KMIQZZIYGRQJRS-UHFFFAOYSA-N 1 0 372.267 2.462 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000542911403 673614789 /nfs/dbraw/zinc/61/47/89/673614789.db2.gz CUSNLAZVGJHULQ-HNNXBMFYSA-N 1 0 351.403 2.073 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599071958 673631316 /nfs/dbraw/zinc/63/13/16/673631316.db2.gz CTUZFCGHDYAGDA-BRWVUGGUSA-N 1 0 367.471 2.422 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599415247 673672672 /nfs/dbraw/zinc/67/26/72/673672672.db2.gz LVTOFMQXGWKZJD-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000599416909 673673013 /nfs/dbraw/zinc/67/30/13/673673013.db2.gz YOBMSLTUXNSLQK-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO CC1(C)CCC[C@@](CO)([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000599594757 673695372 /nfs/dbraw/zinc/69/53/72/673695372.db2.gz IVNUMIIIZWTZCH-CRAIPNDOSA-N 1 0 352.431 2.255 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626123 673699216 /nfs/dbraw/zinc/69/92/16/673699216.db2.gz UISXUJPADZQSIN-RHPZDQPFSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626438 673699236 /nfs/dbraw/zinc/69/92/36/673699236.db2.gz VXMIPFQHEVHHDI-JJHQXXDFSA-N 1 0 351.403 2.334 20 5 FEBDRO C[C@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544380127 673708978 /nfs/dbraw/zinc/70/89/78/673708978.db2.gz WUUJCBJBDFATDN-SNVBAGLBSA-N 1 0 369.365 2.194 20 5 FEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]21 ZINC000600000007 673733136 /nfs/dbraw/zinc/73/31/36/673733136.db2.gz JHVZUDMJJGVLNF-NHAGDIPZSA-N 1 0 358.423 2.350 20 5 FEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000544847589 673736454 /nfs/dbraw/zinc/73/64/54/673736454.db2.gz KSMGLUMIDAJIPZ-MRXNPFEDSA-N 1 0 362.817 2.346 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000545864228 673778714 /nfs/dbraw/zinc/77/87/14/673778714.db2.gz XNFLHJRDHHZNFG-KRWDZBQOSA-N 1 0 367.471 2.139 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000546657047 673809466 /nfs/dbraw/zinc/80/94/66/673809466.db2.gz DRMFMMATTUHQOZ-NUEKZKHPSA-N 1 0 352.456 2.473 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000614712164 676188032 /nfs/dbraw/zinc/18/80/32/676188032.db2.gz XZUDEMSYEUXUGB-ZIAGYGMSSA-N 1 0 370.247 2.499 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000601227354 673834206 /nfs/dbraw/zinc/83/42/06/673834206.db2.gz YKRGENUJIQBZOD-OAHLLOKOSA-N 1 0 356.810 2.169 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601338481 673844620 /nfs/dbraw/zinc/84/46/20/673844620.db2.gz WXAPGSSRKPMGJW-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])s1 ZINC000601342498 673845335 /nfs/dbraw/zinc/84/53/35/673845335.db2.gz DIKRQOIZSBMNHB-CYBMUJFWSA-N 1 0 373.500 2.365 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601360305 673848160 /nfs/dbraw/zinc/84/81/60/673848160.db2.gz ZOCGDGMQDRZREL-GFCCVEGCSA-N 1 0 361.489 2.317 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000602519727 673907393 /nfs/dbraw/zinc/90/73/93/673907393.db2.gz IVUKQZHMGBNDKA-ZOWXZIJZSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602541878 673907741 /nfs/dbraw/zinc/90/77/41/673907741.db2.gz RTOKZYIPDGCHCQ-GXSJLCMTSA-N 1 0 361.320 2.203 20 5 FEBDRO CCS(=O)(=O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602693418 673909564 /nfs/dbraw/zinc/90/95/64/673909564.db2.gz MEPSJWSOOWUWLO-UHFFFAOYSA-N 1 0 371.278 2.333 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602892502 673913240 /nfs/dbraw/zinc/91/32/40/673913240.db2.gz SBKKUPGSWVZPPR-NVXWUHKLSA-N 1 0 350.415 2.403 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818522488 675222702 /nfs/dbraw/zinc/22/27/02/675222702.db2.gz XPFNCZWVZBEXSG-WCQYABFASA-N 1 0 350.375 2.367 20 5 FEBDRO CON(C)C(=O)CC[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000818940924 675244705 /nfs/dbraw/zinc/24/47/05/675244705.db2.gz KLEXAECDLQBMFH-UHFFFAOYSA-N 1 0 364.324 2.025 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967594 675247588 /nfs/dbraw/zinc/24/75/88/675247588.db2.gz WODVGMWXKNADBR-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967591 675247642 /nfs/dbraw/zinc/24/76/42/675247642.db2.gz WODVGMWXKNADBR-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO CC(C)(C)OC(=O)NCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818981969 675249558 /nfs/dbraw/zinc/24/95/58/675249558.db2.gz ACNNVMGKVXWHEO-UHFFFAOYSA-N 1 0 352.391 2.038 20 5 FEBDRO CCN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000819007012 675252119 /nfs/dbraw/zinc/25/21/19/675252119.db2.gz PVERHQHXQIANTP-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819273670 675276472 /nfs/dbraw/zinc/27/64/72/675276472.db2.gz DVNCZZZAKGNOTR-CQSZACIVSA-N 1 0 370.452 2.273 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000819315311 675280454 /nfs/dbraw/zinc/28/04/54/675280454.db2.gz WMTMMHGIRYXLPL-AWEZNQCLSA-N 1 0 369.219 2.267 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567378073 675288682 /nfs/dbraw/zinc/28/86/82/675288682.db2.gz OLUAGJALTRPEBV-LESCRADOSA-N 1 0 352.431 2.375 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000819692179 675309703 /nfs/dbraw/zinc/30/97/03/675309703.db2.gz JIEMAQAKDZIBNW-UHFFFAOYSA-N 1 0 362.411 2.474 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000567700071 675314314 /nfs/dbraw/zinc/31/43/14/675314314.db2.gz DTWCKDAPYDVLKC-ZDUSSCGKSA-N 1 0 352.337 2.445 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC3CS(=O)(=O)C3)o2)c1 ZINC000615728213 676225402 /nfs/dbraw/zinc/22/54/02/676225402.db2.gz YOKLPZUVHDCABM-UHFFFAOYSA-N 1 0 350.396 2.379 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000823728026 675569019 /nfs/dbraw/zinc/56/90/19/675569019.db2.gz QUHAKYMLMBLVNA-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826954477 675718518 /nfs/dbraw/zinc/71/85/18/675718518.db2.gz SGOXSXCNTWMWHW-INIZCTEOSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604505415 675805591 /nfs/dbraw/zinc/80/55/91/675805591.db2.gz ZGHAHPYHRIGYGG-ZYHUDNBSSA-N 1 0 353.806 2.368 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619487024 676380340 /nfs/dbraw/zinc/38/03/40/676380340.db2.gz UYZGWKXDWVCVPQ-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000830589104 677049621 /nfs/dbraw/zinc/04/96/21/677049621.db2.gz QUHAKYMLMBLVNA-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+](C)C ZINC000839504218 680757701 /nfs/dbraw/zinc/75/77/01/680757701.db2.gz KVROVGFIKNTFKI-SNVBAGLBSA-N 1 0 370.837 2.279 20 5 FEBDRO C[C@H]1OCC[C@@H]1N(CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589467 680764161 /nfs/dbraw/zinc/76/41/61/680764161.db2.gz MBWLVRONOVMPIH-PWSUYJOCSA-N 1 0 359.220 2.329 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000839754176 680776794 /nfs/dbraw/zinc/77/67/94/680776794.db2.gz MUZCLUVQFHRYRZ-UHFFFAOYSA-N 1 0 371.235 2.310 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160269 680866593 /nfs/dbraw/zinc/86/65/93/680866593.db2.gz BIBGUKUUFQGHJT-GZMMTYOYSA-N 1 0 357.208 2.477 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000765798538 680855780 /nfs/dbraw/zinc/85/57/80/680855780.db2.gz RIZLRGFDBXWQPI-GFCCVEGCSA-N 1 0 361.427 2.346 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070099 680861859 /nfs/dbraw/zinc/86/18/59/680861859.db2.gz JWZDXJVXUXZACF-ZDUSSCGKSA-N 1 0 366.771 2.174 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000748098661 679930497 /nfs/dbraw/zinc/93/04/97/679930497.db2.gz KUWLQEQNBVWYKP-ZBEGNZNMSA-N 1 0 366.805 2.058 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000911875204 685276056 /nfs/dbraw/zinc/27/60/56/685276056.db2.gz LMFQGARPSHLVDE-UHFFFAOYSA-N 1 0 353.394 2.023 20 5 FEBDRO C[C@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCC1 ZINC000753289816 680284507 /nfs/dbraw/zinc/28/45/07/680284507.db2.gz YQHUDTAOBWCNDX-CYBMUJFWSA-N 1 0 353.394 2.493 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983649595 680317505 /nfs/dbraw/zinc/31/75/05/680317505.db2.gz OWXGOAZWMMUQLE-RTWAVKEYSA-N 1 0 355.797 2.129 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1 ZINC001029305029 680387793 /nfs/dbraw/zinc/38/77/93/680387793.db2.gz RCSFGWVCBMNDTC-YYIAUSFCSA-N 1 0 363.845 2.223 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401023 680460252 /nfs/dbraw/zinc/46/02/52/680460252.db2.gz XGTUIWPCTDHFAM-HZPDHXFCSA-N 1 0 351.834 2.333 20 5 FEBDRO Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002784010 680507992 /nfs/dbraw/zinc/50/79/92/680507992.db2.gz XJDDWBWDUNIHKI-HZPDHXFCSA-N 1 0 351.834 2.394 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C1CC1 ZINC000837227413 680571281 /nfs/dbraw/zinc/57/12/81/680571281.db2.gz VBXLFQWENZNUGH-UHFFFAOYSA-N 1 0 371.235 2.357 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000838150936 680676258 /nfs/dbraw/zinc/67/62/58/680676258.db2.gz YZTYVLHKTKQJIC-SNVBAGLBSA-N 1 0 371.235 2.214 20 5 FEBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000841531503 680893010 /nfs/dbraw/zinc/89/30/10/680893010.db2.gz ZKAIJPQVMHLSFR-UHFFFAOYSA-N 1 0 353.803 2.006 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000842483121 680950087 /nfs/dbraw/zinc/95/00/87/680950087.db2.gz ZFKOFPKMVRNWGT-ZIAGYGMSSA-N 1 0 371.434 2.338 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000842486291 680950700 /nfs/dbraw/zinc/95/07/00/680950700.db2.gz WZZHSZXFMGQXCN-GHMZBOCLSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000843479641 681006116 /nfs/dbraw/zinc/00/61/16/681006116.db2.gz DWHNXUHFLVUWGK-HAQNSBGRSA-N 1 0 350.375 2.306 20 5 FEBDRO Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sc1C ZINC001050325858 681045168 /nfs/dbraw/zinc/04/51/68/681045168.db2.gz PEVXJSVZFWSSKK-KBUPBQIOSA-N 1 0 366.487 2.190 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000844640209 681069770 /nfs/dbraw/zinc/06/97/70/681069770.db2.gz HFQHXNSXGWAKMO-ADEWGFFLSA-N 1 0 350.375 2.365 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]2CC1 ZINC000946589097 681243960 /nfs/dbraw/zinc/24/39/60/681243960.db2.gz FYSDVPOSMHEONU-AYQNGGLBSA-N 1 0 362.257 2.141 20 5 FEBDRO [NH3+]CC1(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000846690762 681275881 /nfs/dbraw/zinc/27/58/81/681275881.db2.gz AJHRAKBCTYEPEO-UHFFFAOYSA-N 1 0 360.183 2.355 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000776274328 681378398 /nfs/dbraw/zinc/37/83/98/681378398.db2.gz GXNOGRBEBNOURY-CPUCHLNUSA-N 1 0 351.447 2.106 20 5 FEBDRO CS[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000776486416 681395889 /nfs/dbraw/zinc/39/58/89/681395889.db2.gz SSEOIUISDLLSQO-YESZJQIVSA-N 1 0 351.472 2.140 20 5 FEBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584947 681411190 /nfs/dbraw/zinc/41/11/90/681411190.db2.gz PSLGATGZKATQTH-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000776591551 681412499 /nfs/dbraw/zinc/41/24/99/681412499.db2.gz JSHCUWZMYXCTAB-ROUUACIJSA-N 1 0 350.415 2.288 20 5 FEBDRO COC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776809534 681437977 /nfs/dbraw/zinc/43/79/77/681437977.db2.gz FBKHRINLJLJLST-LRDDRELGSA-N 1 0 351.403 2.085 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCSC1 ZINC000934080679 681506339 /nfs/dbraw/zinc/50/63/39/681506339.db2.gz ZLTHZFGHUNBXGX-MRXNPFEDSA-N 1 0 355.435 2.220 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848293918 681509727 /nfs/dbraw/zinc/50/97/27/681509727.db2.gz BJNIPHSHMJYKFQ-PHIMTYICSA-N 1 0 368.821 2.277 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334832 681553977 /nfs/dbraw/zinc/55/39/77/681553977.db2.gz XLAAOOFNVGWABG-KGLIPLIRSA-N 1 0 363.439 2.356 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334834 681554043 /nfs/dbraw/zinc/55/40/43/681554043.db2.gz XLAAOOFNVGWABG-UONOGXRCSA-N 1 0 363.439 2.356 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934337740 681554699 /nfs/dbraw/zinc/55/46/99/681554699.db2.gz USASEVHNFQOTJS-UKRRQHHQSA-N 1 0 363.439 2.356 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581119 681582013 /nfs/dbraw/zinc/58/20/13/681582013.db2.gz JDSCPGKDLVDOII-UHFFFAOYSA-N 1 0 357.357 2.367 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581643 681582521 /nfs/dbraw/zinc/58/25/21/681582521.db2.gz BJNCZVJBVPJOTP-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913276240 685474933 /nfs/dbraw/zinc/47/49/33/685474933.db2.gz YBFRKBVOZHJNPW-HOTGVXAUSA-N 1 0 352.822 2.244 20 5 FEBDRO COc1cc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000850348037 681888816 /nfs/dbraw/zinc/88/88/16/681888816.db2.gz DAOWINQONDBLSK-XMMPIXPASA-N 1 0 370.349 2.013 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000850592306 681922303 /nfs/dbraw/zinc/92/23/03/681922303.db2.gz PHPBGJPFHSRZMB-KOLCDFICSA-N 1 0 361.851 2.305 20 5 FEBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000783640004 682161072 /nfs/dbraw/zinc/16/10/72/682161072.db2.gz YEHDSEQKJOHCLJ-YGRLFVJLSA-N 1 0 363.805 2.265 20 5 FEBDRO CC1(C)CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000783713773 682168680 /nfs/dbraw/zinc/16/86/80/682168680.db2.gz IZMMCJBTHMQSHY-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000917908863 685535582 /nfs/dbraw/zinc/53/55/82/685535582.db2.gz KDYDLMFIRHVIMY-NEPJUHHUSA-N 1 0 359.835 2.153 20 5 FEBDRO Cn1nc(Br)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000785460862 682299100 /nfs/dbraw/zinc/29/91/00/682299100.db2.gz KBILTFTZVMSWOX-UHFFFAOYSA-N 1 0 355.192 2.259 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1F ZINC000918368077 685538831 /nfs/dbraw/zinc/53/88/31/685538831.db2.gz CZDPNEWLKUEKPG-IYBDPMFKSA-N 1 0 371.434 2.005 20 5 FEBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000853131646 682380590 /nfs/dbraw/zinc/38/05/90/682380590.db2.gz SMAXHZCIKBBSAX-WFASDCNBSA-N 1 0 353.419 2.473 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786787324 682405436 /nfs/dbraw/zinc/40/54/36/682405436.db2.gz CBEBJFZSQWQKMV-AWEZNQCLSA-N 1 0 367.471 2.166 20 5 FEBDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000788437708 682529853 /nfs/dbraw/zinc/52/98/53/682529853.db2.gz SXTAFGDNIHLCHC-STQMWFEESA-N 1 0 358.464 2.078 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000790265622 682663482 /nfs/dbraw/zinc/66/34/82/682663482.db2.gz NNFBRECQIDGEBD-PWSUYJOCSA-N 1 0 369.805 2.310 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000855486213 682675857 /nfs/dbraw/zinc/67/58/57/682675857.db2.gz JKZJXMZKYZCJFO-ZDUSSCGKSA-N 1 0 350.375 2.368 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791337874 682735879 /nfs/dbraw/zinc/73/58/79/682735879.db2.gz XQFNFAXHNKGOAX-GRYCIOLGSA-N 1 0 352.410 2.412 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000791382479 682739501 /nfs/dbraw/zinc/73/95/01/682739501.db2.gz ZIDVGJBHTDZRHC-RYUDHWBXSA-N 1 0 352.410 2.403 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791407113 682741340 /nfs/dbraw/zinc/74/13/40/682741340.db2.gz FOFVIIBDLYJJQD-UHFFFAOYSA-N 1 0 354.838 2.239 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1F ZINC000857680784 682903647 /nfs/dbraw/zinc/90/36/47/682903647.db2.gz TWKQKEBMNPBIIZ-AWEZNQCLSA-N 1 0 353.394 2.225 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CCO1 ZINC000857681125 682903891 /nfs/dbraw/zinc/90/38/91/682903891.db2.gz YYQDZANLMAXYEE-NSHDSACASA-N 1 0 357.357 2.056 20 5 FEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765458 682910808 /nfs/dbraw/zinc/91/08/08/682910808.db2.gz HBMWPAASJDTMPZ-QJPTWQEYSA-N 1 0 355.341 2.071 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000858765255 683000067 /nfs/dbraw/zinc/00/00/67/683000067.db2.gz VEIVNZOJBMUOLV-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cs1 ZINC000859275856 683071195 /nfs/dbraw/zinc/07/11/95/683071195.db2.gz CXTYBYRGVULENB-LBPRGKRZSA-N 1 0 359.473 2.342 20 5 FEBDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@@H]1C(C)C ZINC000926263155 683100355 /nfs/dbraw/zinc/10/03/55/683100355.db2.gz OQAKSPLTIVDRBQ-LVRJZDEYSA-N 1 0 367.471 2.256 20 5 FEBDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000796156281 683134086 /nfs/dbraw/zinc/13/40/86/683134086.db2.gz BSOYAHXHXUAGNI-AWEZNQCLSA-N 1 0 353.423 2.172 20 5 FEBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164840 683135525 /nfs/dbraw/zinc/13/55/25/683135525.db2.gz ZKFDEXCIRPWQPM-HOTGVXAUSA-N 1 0 351.403 2.229 20 5 FEBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(S(C)(=O)=O)CC1 ZINC000797069530 683220051 /nfs/dbraw/zinc/22/00/51/683220051.db2.gz FMZDIRHTDGZMPY-ZDUSSCGKSA-N 1 0 367.471 2.119 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861341331 683390921 /nfs/dbraw/zinc/39/09/21/683390921.db2.gz PLVQEIQNWUMQNA-DYVFJYSZSA-N 1 0 352.387 2.260 20 5 FEBDRO CC1([NH+]2CCC2)CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000921720866 683556870 /nfs/dbraw/zinc/55/68/70/683556870.db2.gz AVTWLACHFJTTFG-UHFFFAOYSA-N 1 0 367.471 2.421 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOC3CCSCC3)C2)nc1 ZINC000929988455 683665730 /nfs/dbraw/zinc/66/57/30/683665730.db2.gz OBSKNSYBHAXVGJ-ZDUSSCGKSA-N 1 0 352.460 2.388 20 5 FEBDRO CS[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@@H]1[NH+]1CCCC1 ZINC000865685981 684014478 /nfs/dbraw/zinc/01/44/78/684014478.db2.gz ZYDIPFISIXODEL-HOTGVXAUSA-N 1 0 355.435 2.242 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000865924702 684046492 /nfs/dbraw/zinc/04/64/92/684046492.db2.gz VBUBQLCBONTNGB-AWEZNQCLSA-N 1 0 358.236 2.250 20 5 FEBDRO C[NH+]1CCC2(CCN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)CC2)CC1 ZINC000866055525 684067094 /nfs/dbraw/zinc/06/70/94/684067094.db2.gz XOUDEKLWBHOTPN-UHFFFAOYSA-N 1 0 367.471 2.311 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1F ZINC000866734547 684141908 /nfs/dbraw/zinc/14/19/08/684141908.db2.gz HEJQBSBPNDHLJB-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1C ZINC000923733007 684341869 /nfs/dbraw/zinc/34/18/69/684341869.db2.gz ZWHRZOAOEYTXNA-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000868896141 684555507 /nfs/dbraw/zinc/55/55/07/684555507.db2.gz JEYXVYORODXMKH-UHFFFAOYSA-N 1 0 356.220 2.110 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872022087 684915932 /nfs/dbraw/zinc/91/59/32/684915932.db2.gz SXUJPZMLIUPRCF-LLVKDONJSA-N 1 0 359.423 2.199 20 5 FEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872062564 684917657 /nfs/dbraw/zinc/91/76/57/684917657.db2.gz NFXJMTOVKHRHQM-CZUORRHYSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872757548 685013626 /nfs/dbraw/zinc/01/36/26/685013626.db2.gz FROVBHUMWLIRCD-NWDGAFQWSA-N 1 0 356.220 2.003 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000873395018 685121723 /nfs/dbraw/zinc/12/17/23/685121723.db2.gz FFBUXNYMYOPWQL-OAHLLOKOSA-N 1 0 350.419 2.440 20 5 FEBDRO C[C@](CO)([NH2+]CC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000877690026 686437563 /nfs/dbraw/zinc/43/75/63/686437563.db2.gz DAKRWHRXSYTYDW-QGZVFWFLSA-N 1 0 350.415 2.325 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879320935 686794519 /nfs/dbraw/zinc/79/45/19/686794519.db2.gz KDTJAJRQQUFEIW-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879575947 686861679 /nfs/dbraw/zinc/86/16/79/686861679.db2.gz PCTPZLBCJBIURA-BXUZGUMPSA-N 1 0 352.822 2.213 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735594 686896941 /nfs/dbraw/zinc/89/69/41/686896941.db2.gz ZXBUTBOOXNPYCP-RHSMWYFYSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000881892060 687248979 /nfs/dbraw/zinc/24/89/79/687248979.db2.gz BJXFPSTYPFIZLW-LLVKDONJSA-N 1 0 361.851 2.129 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000882626480 687414767 /nfs/dbraw/zinc/41/47/67/687414767.db2.gz IDDHWOVBPJOLTO-ZYHUDNBSSA-N 1 0 363.386 2.486 20 5 FEBDRO CO[C@@]1(C(=O)O[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)C2)CCSC1 ZINC000893052939 689288334 /nfs/dbraw/zinc/28/83/34/689288334.db2.gz KVCUXCQWSIZWGA-RDJZCZTQSA-N 1 0 366.439 2.234 20 5 FEBDRO COc1c(O)ccc(C[NH2+]CCOCC(F)(F)C(F)F)c1[N+](=O)[O-] ZINC000894045901 689455786 /nfs/dbraw/zinc/45/57/86/689455786.db2.gz IZOQUUSBZUGRAG-UHFFFAOYSA-N 1 0 356.272 2.316 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000895246673 689684018 /nfs/dbraw/zinc/68/40/18/689684018.db2.gz OZZMNIMGCSWMQH-QMTHXVAHSA-N 1 0 370.837 2.081 20 5 FEBDRO CO[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCSC1 ZINC000896572850 689898404 /nfs/dbraw/zinc/89/84/04/689898404.db2.gz IZDHTXKHNUBNER-INIZCTEOSA-N 1 0 352.460 2.070 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000896610758 689905687 /nfs/dbraw/zinc/90/56/87/689905687.db2.gz JLEXSZRYFIJSJM-UHFFFAOYSA-N 1 0 350.375 2.225 20 5 FEBDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000899213384 690320488 /nfs/dbraw/zinc/32/04/88/690320488.db2.gz DNVYJPJOQOLRRW-SNVBAGLBSA-N 1 0 356.220 2.315 20 5 FEBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)cc([N+](=O)[O-])c1 ZINC000903117705 690846620 /nfs/dbraw/zinc/84/66/20/690846620.db2.gz FMMXGAGIQBYRJV-TVQRCGJNSA-N 1 0 361.320 2.417 20 5 FEBDRO COCC[C@H]1C[NH2+]CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000903838200 690977567 /nfs/dbraw/zinc/97/75/67/690977567.db2.gz WYOIFZMMKWARPO-LBPRGKRZSA-N 1 0 358.236 2.168 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000905477283 691123738 /nfs/dbraw/zinc/12/37/38/691123738.db2.gz DKOXNOYCANUMFQ-DOTOQJQBSA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905935899 691199383 /nfs/dbraw/zinc/19/93/83/691199383.db2.gz VRNAYAUKQFSCDK-KRWDZBQOSA-N 1 0 350.415 2.104 20 5 FEBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906101860 691232130 /nfs/dbraw/zinc/23/21/30/691232130.db2.gz NTIRKYUQUTWHNF-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906522085 691279560 /nfs/dbraw/zinc/27/95/60/691279560.db2.gz GQNYGJNNIWLMQZ-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000907854294 691570915 /nfs/dbraw/zinc/57/09/15/691570915.db2.gz WTVJJVOAOYHRJR-UHFFFAOYSA-N 1 0 359.835 2.107 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)c(C)cc1[N+](=O)[O-] ZINC000907858369 691571781 /nfs/dbraw/zinc/57/17/81/691571781.db2.gz WPEPMTIOVXDDSS-UHFFFAOYSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1c(C)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164771720 721148277 /nfs/dbraw/zinc/14/82/77/721148277.db2.gz SRGKFOWIDORSPP-IRXDYDNUSA-N 1 0 370.457 2.298 20 5 FEBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907539 721552187 /nfs/dbraw/zinc/55/21/87/721552187.db2.gz OCUDDDXAOTZDLZ-ZBFHGGJFSA-N 1 0 373.388 2.053 20 5 FEBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164954665 722012581 /nfs/dbraw/zinc/01/25/81/722012581.db2.gz NYNKQQBTQSJGSI-UHFFFAOYSA-N 1 0 369.425 2.116 20 5 FEBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c2ccccc21 ZINC001164967052 722070974 /nfs/dbraw/zinc/07/09/74/722070974.db2.gz GKMLPYITYAXEQK-GASCZTMLSA-N 1 0 354.410 2.442 20 5 FEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1(C)C ZINC000515642270 816359664 /nfs/dbraw/zinc/35/96/64/816359664.db2.gz CDLPRQAMXYUJPM-KDOFPFPSSA-N 1 0 373.413 2.456 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000549263424 674029553 /nfs/dbraw/zinc/02/95/53/674029553.db2.gz WLIRHLIFNKQAJT-AWEZNQCLSA-N 1 0 363.439 2.442 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942223 210200040 /nfs/dbraw/zinc/20/00/40/210200040.db2.gz RKZCULSRISTJBM-UONOGXRCSA-N 1 0 362.430 2.101 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000017281837 539640652 /nfs/dbraw/zinc/64/06/52/539640652.db2.gz KCFPSPMBPVRIEK-ZDUSSCGKSA-N 1 0 370.475 2.179 20 5 FEBDRO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026350610 539784789 /nfs/dbraw/zinc/78/47/89/539784789.db2.gz KHJQTZRJPWQGPV-UHFFFAOYSA-N 1 0 370.409 2.443 20 5 FEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000032736873 539950055 /nfs/dbraw/zinc/95/00/55/539950055.db2.gz QBYMGMBAMOWDCL-UHFFFAOYSA-N 1 0 358.398 2.053 20 5 FEBDRO CCCNC(=O)C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042686975 540073918 /nfs/dbraw/zinc/07/39/18/540073918.db2.gz CWDBPCQLPACTLC-UHFFFAOYSA-N 1 0 362.430 2.162 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000045465111 540214606 /nfs/dbraw/zinc/21/46/06/540214606.db2.gz DUJCZOOEGKRUMU-CYBMUJFWSA-N 1 0 354.410 2.475 20 5 FEBDRO COc1cc(C(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000046856262 540273507 /nfs/dbraw/zinc/27/35/07/540273507.db2.gz GMEXBCMNJCDKPE-UHFFFAOYSA-N 1 0 373.356 2.421 20 5 FEBDRO CCOc1cc(C(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000046855574 540273726 /nfs/dbraw/zinc/27/37/26/540273726.db2.gz XDDHLEGQVLIWQV-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000054080460 540567723 /nfs/dbraw/zinc/56/77/23/540567723.db2.gz QENXYLMGSVPFLC-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO CC(C)COC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000054326208 540583358 /nfs/dbraw/zinc/58/33/58/540583358.db2.gz DAVKKABOTVDKLH-MRXNPFEDSA-N 1 0 352.431 2.472 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000056786172 540745576 /nfs/dbraw/zinc/74/55/76/540745576.db2.gz DLUOZTHJOYZYPP-HUUCEWRRSA-N 1 0 363.462 2.426 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057715306 540810878 /nfs/dbraw/zinc/81/08/78/540810878.db2.gz WKMBTMABUCULRH-LLVKDONJSA-N 1 0 351.403 2.215 20 5 FEBDRO CCNC(=O)C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000061015638 541124912 /nfs/dbraw/zinc/12/49/12/541124912.db2.gz DXGYCDCXKALDAZ-UHFFFAOYSA-N 1 0 373.409 2.408 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000061502320 541131577 /nfs/dbraw/zinc/13/15/77/541131577.db2.gz CHBOISQPNDZENH-KRWDZBQOSA-N 1 0 371.441 2.361 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000062120299 541144606 /nfs/dbraw/zinc/14/46/06/541144606.db2.gz GGZSIXXPZDXOGP-KGLIPLIRSA-N 1 0 362.430 2.221 20 5 FEBDRO Cn1cc(C(=O)NCCC[NH+]2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064748951 541216259 /nfs/dbraw/zinc/21/62/59/541216259.db2.gz VXABXMCWPXXKGY-UHFFFAOYSA-N 1 0 357.414 2.211 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@H+](C)[C@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000066137013 541283661 /nfs/dbraw/zinc/28/36/61/541283661.db2.gz FYUAYSUBQZUFBN-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066395965 541313925 /nfs/dbraw/zinc/31/39/25/541313925.db2.gz MXNVENMBQGHZCA-SZTZYQKNSA-N 1 0 359.426 2.320 20 5 FEBDRO CC(C)(CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+]1CCCCC1 ZINC000067123768 541420422 /nfs/dbraw/zinc/42/04/22/541420422.db2.gz FKFPHPSPXNPVPI-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000067269317 541438211 /nfs/dbraw/zinc/43/82/11/541438211.db2.gz WHKZPYKPDUMAMP-AWEZNQCLSA-N 1 0 365.430 2.219 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000067398126 541457288 /nfs/dbraw/zinc/45/72/88/541457288.db2.gz JHUZDOPUHBNHOM-QWHCGFSZSA-N 1 0 362.430 2.078 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000067949794 541532328 /nfs/dbraw/zinc/53/23/28/541532328.db2.gz ZABRIQITGJUOSC-ZDUSSCGKSA-N 1 0 372.491 2.425 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000068961048 541644682 /nfs/dbraw/zinc/64/46/82/541644682.db2.gz KOKHHFCHRVKLNZ-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000069036352 541651188 /nfs/dbraw/zinc/65/11/88/541651188.db2.gz REWDCSMPYJEKRZ-ZDUSSCGKSA-N 1 0 365.430 2.462 20 5 FEBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070883237 541748858 /nfs/dbraw/zinc/74/88/58/541748858.db2.gz SYFBOPGQZFXNIW-UHFFFAOYSA-N 1 0 372.429 2.171 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000072904584 541891830 /nfs/dbraw/zinc/89/18/30/541891830.db2.gz DUNSKBZKRWHGDC-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073246713 541933930 /nfs/dbraw/zinc/93/39/30/541933930.db2.gz PUMXKFZWKVTZHR-UHFFFAOYSA-N 1 0 363.458 2.487 20 5 FEBDRO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000074324104 542070027 /nfs/dbraw/zinc/07/00/27/542070027.db2.gz HMLQOTSJLMHSKR-MRXNPFEDSA-N 1 0 360.458 2.221 20 5 FEBDRO COc1ccccc1C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075711443 542199915 /nfs/dbraw/zinc/19/99/15/542199915.db2.gz JEMHPXZOVVLOSW-YJBOKZPZSA-N 1 0 374.441 2.116 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832302 542206345 /nfs/dbraw/zinc/20/63/45/542206345.db2.gz BJWYCJHGERJDAO-INIZCTEOSA-N 1 0 350.415 2.370 20 5 FEBDRO CC[NH+]1CCC(CCNc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000078401509 542459431 /nfs/dbraw/zinc/45/94/31/542459431.db2.gz HOYLLCVIGXZHAP-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079893471 542548247 /nfs/dbraw/zinc/54/82/47/542548247.db2.gz NKPPRURRHQURAW-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000802131865 674162370 /nfs/dbraw/zinc/16/23/70/674162370.db2.gz PKRWYLUUEFKCHQ-CQSZACIVSA-N 1 0 351.403 2.049 20 5 FEBDRO CC(C)(CO)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089912434 542773064 /nfs/dbraw/zinc/77/30/64/542773064.db2.gz RRHMKPOFIJPFQV-UHFFFAOYSA-N 1 0 360.414 2.138 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092101804 542845770 /nfs/dbraw/zinc/84/57/70/542845770.db2.gz CNAIMLVTTWXHMY-LBPRGKRZSA-N 1 0 357.357 2.496 20 5 FEBDRO COc1cc(CN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092454947 542864347 /nfs/dbraw/zinc/86/43/47/542864347.db2.gz YSGOKCYKYGTHFM-JTQLQIEISA-N 1 0 363.336 2.338 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000092980381 542899645 /nfs/dbraw/zinc/89/96/45/542899645.db2.gz NIGBCMNASWKAAU-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093001787 542900979 /nfs/dbraw/zinc/90/09/79/542900979.db2.gz NLYWUUBAKWSAFW-OCCSQVGLSA-N 1 0 373.450 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1 ZINC000101569992 543033965 /nfs/dbraw/zinc/03/39/65/543033965.db2.gz ICLQFTKGVUOSMC-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490136 543071987 /nfs/dbraw/zinc/07/19/87/543071987.db2.gz VRACQCOPYUGLDV-ZIAGYGMSSA-N 1 0 365.478 2.399 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000106817805 543249235 /nfs/dbraw/zinc/24/92/35/543249235.db2.gz KKFHAFZGAVVQLB-AWEZNQCLSA-N 1 0 362.474 2.258 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000113305704 543483678 /nfs/dbraw/zinc/48/36/78/543483678.db2.gz DEMVOHUDEJORMD-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113438301 543487795 /nfs/dbraw/zinc/48/77/95/543487795.db2.gz OJVTZAFZEMCXIH-ZDUSSCGKSA-N 1 0 372.425 2.431 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000113271254 543481111 /nfs/dbraw/zinc/48/11/11/543481111.db2.gz UZQVSKWECJMDOV-DGCLKSJQSA-N 1 0 352.822 2.355 20 5 FEBDRO O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)NC1CC[NH+](C2CC2)CC1 ZINC000113775096 543496578 /nfs/dbraw/zinc/49/65/78/543496578.db2.gz SNKMORMYIJLITJ-UHFFFAOYSA-N 1 0 369.425 2.201 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+](C)C ZINC000114376411 543511761 /nfs/dbraw/zinc/51/17/61/543511761.db2.gz PHZMNWBQRVUNMV-INIZCTEOSA-N 1 0 359.430 2.487 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCC[NH+]1CCOCC1 ZINC000117757129 543639831 /nfs/dbraw/zinc/63/98/31/543639831.db2.gz YBRZJUNLKFQRIM-UHFFFAOYSA-N 1 0 355.822 2.019 20 5 FEBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000247483891 549341142 /nfs/dbraw/zinc/34/11/42/549341142.db2.gz KKKAENQIWAEOMM-RHSMWYFYSA-N 1 0 362.430 2.114 20 5 FEBDRO CC(C)C(=O)NCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120347494 543678955 /nfs/dbraw/zinc/67/89/55/543678955.db2.gz WPVBQASYVNUOJT-UHFFFAOYSA-N 1 0 359.430 2.247 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000123242653 543750812 /nfs/dbraw/zinc/75/08/12/543750812.db2.gz MWJODGDRVPSAKH-CYBMUJFWSA-N 1 0 363.439 2.396 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000124344705 543815376 /nfs/dbraw/zinc/81/53/76/543815376.db2.gz CFVWOOXHBMHWKD-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124598078 543831892 /nfs/dbraw/zinc/83/18/92/543831892.db2.gz JKMXJXLLVPDPIB-HNNXBMFYSA-N 1 0 352.398 2.366 20 5 FEBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000125142520 543863517 /nfs/dbraw/zinc/86/35/17/543863517.db2.gz VEQZRNVDLIEDJZ-BDAKNGLRSA-N 1 0 367.349 2.114 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000125481056 543883669 /nfs/dbraw/zinc/88/36/69/543883669.db2.gz KLXUUQUQYFDQQF-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126388112 543933046 /nfs/dbraw/zinc/93/30/46/543933046.db2.gz UYDQBBCLJXYXCR-YYUOZPCZSA-N 1 0 351.428 2.491 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636392 543948166 /nfs/dbraw/zinc/94/81/66/543948166.db2.gz ZVSFFWKBCYWUMT-DOMZBBRYSA-N 1 0 361.446 2.359 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000130807209 544165986 /nfs/dbraw/zinc/16/59/86/544165986.db2.gz ICQJNTTXSFSFPJ-UHFFFAOYSA-N 1 0 360.458 2.160 20 5 FEBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131997563 544214702 /nfs/dbraw/zinc/21/47/02/544214702.db2.gz VKIRKXLKIWFHQQ-YOEHRIQHSA-N 1 0 360.414 2.283 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000132272882 544225143 /nfs/dbraw/zinc/22/51/43/544225143.db2.gz URUODEQLOLFBLO-NVXWUHKLSA-N 1 0 371.441 2.303 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132624651 544238375 /nfs/dbraw/zinc/23/83/75/544238375.db2.gz MAZATZPDBODPFN-UHFFFAOYSA-N 1 0 363.336 2.312 20 5 FEBDRO C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000133797859 544283547 /nfs/dbraw/zinc/28/35/47/544283547.db2.gz JJJGBKSHUWVVKA-UHFFFAOYSA-N 1 0 356.220 2.064 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCC[N@H+]1CCC[C@H]1CO ZINC000133872138 544286668 /nfs/dbraw/zinc/28/66/68/544286668.db2.gz RCHBZBHDSFAGFN-HNNXBMFYSA-N 1 0 369.849 2.144 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134771190 544321011 /nfs/dbraw/zinc/32/10/11/544321011.db2.gz PWLVWGOFNIUIQO-UHFFFAOYSA-N 1 0 355.822 2.479 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000134074216 544293550 /nfs/dbraw/zinc/29/35/50/544293550.db2.gz ACKDUFWTIBGASU-UHFFFAOYSA-N 1 0 364.421 2.022 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134931177 544328583 /nfs/dbraw/zinc/32/85/83/544328583.db2.gz CDFKTMLOCNGRQX-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)COC1CCOCC1)C1CC1 ZINC000135223907 544338642 /nfs/dbraw/zinc/33/86/42/544338642.db2.gz KIFHQQNPGDFHQM-MRXNPFEDSA-N 1 0 350.415 2.116 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136031381 544365382 /nfs/dbraw/zinc/36/53/82/544365382.db2.gz OFEOIFYGYHJDSG-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000138487750 544396665 /nfs/dbraw/zinc/39/66/65/544396665.db2.gz YBYQUCSBPLJBAF-MRXNPFEDSA-N 1 0 353.423 2.074 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000138889408 544398339 /nfs/dbraw/zinc/39/83/39/544398339.db2.gz GEGZOZBRGIMEQO-TXEJJXNPSA-N 1 0 352.410 2.414 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000140023887 544406690 /nfs/dbraw/zinc/40/66/90/544406690.db2.gz ZYZDLSNGQUZGAX-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000150927580 544487667 /nfs/dbraw/zinc/48/76/67/544487667.db2.gz UVNYQATVNFVIEU-RTHVDDQRSA-N 1 0 371.441 2.064 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151632617 544564883 /nfs/dbraw/zinc/56/48/83/544564883.db2.gz VOCLJXJXANLJLJ-AWEZNQCLSA-N 1 0 367.471 2.264 20 5 FEBDRO CC[C@H](CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000151920824 544595656 /nfs/dbraw/zinc/59/56/56/544595656.db2.gz APRSFMDHONOFSL-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152224836 544627198 /nfs/dbraw/zinc/62/71/98/544627198.db2.gz ARQGJNOLSHBWSZ-UHFFFAOYSA-N 1 0 351.403 2.169 20 5 FEBDRO O=C(CN(CCO)Cc1cccnc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152325622 544639422 /nfs/dbraw/zinc/63/94/22/544639422.db2.gz MAXDUDLDHWCJGL-UHFFFAOYSA-N 1 0 364.789 2.076 20 5 FEBDRO C[C@@H]1CN(C[C@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000153294885 544757116 /nfs/dbraw/zinc/75/71/16/544757116.db2.gz BXNZJNKTRMDTNA-CLCXKQKWSA-N 1 0 363.458 2.029 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000153467687 544778921 /nfs/dbraw/zinc/77/89/21/544778921.db2.gz NONSEFNGJZDMPX-QGZVFWFLSA-N 1 0 367.471 2.375 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1SC ZINC000153550754 544789754 /nfs/dbraw/zinc/78/97/54/544789754.db2.gz PSAXSVLOMDFPIZ-NSHDSACASA-N 1 0 353.444 2.492 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000154147236 544870346 /nfs/dbraw/zinc/87/03/46/544870346.db2.gz VCRPPZUZZLBRLC-AAEUAGOBSA-N 1 0 353.444 2.175 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000553008921 674233690 /nfs/dbraw/zinc/23/36/90/674233690.db2.gz WVKRUAJGJXZTKX-UHFFFAOYSA-N 1 0 350.419 2.395 20 5 FEBDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000180354989 327682629 /nfs/dbraw/zinc/68/26/29/327682629.db2.gz AQTNXZUECFKODG-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@@H]([NH2+][C@@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000182007807 327756570 /nfs/dbraw/zinc/75/65/70/327756570.db2.gz LVJZGGLSTAEOEJ-DOMZBBRYSA-N 1 0 362.430 2.336 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182868036 327791699 /nfs/dbraw/zinc/79/16/99/327791699.db2.gz MLIBHUHJTFQXNB-SFHVURJKSA-N 1 0 372.425 2.078 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000184206351 327856284 /nfs/dbraw/zinc/85/62/84/327856284.db2.gz WTGFURLMYSSFKG-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184475739 327869204 /nfs/dbraw/zinc/86/92/04/327869204.db2.gz ADGBRZSCWODCBP-CYBMUJFWSA-N 1 0 365.405 2.161 20 5 FEBDRO Cc1cc(N2CC[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000187219115 328009670 /nfs/dbraw/zinc/00/96/70/328009670.db2.gz JKYNMOJOVUDUEH-UHFFFAOYSA-N 1 0 372.429 2.086 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023954 328060944 /nfs/dbraw/zinc/06/09/44/328060944.db2.gz BSFQBLSDCBQJBX-PXAZEXFGSA-N 1 0 351.403 2.025 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188083791 328064793 /nfs/dbraw/zinc/06/47/93/328064793.db2.gz SQPAYLGMPQXGGH-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000188624887 328099669 /nfs/dbraw/zinc/09/96/69/328099669.db2.gz FMZOXCGWYHWLBQ-LLVKDONJSA-N 1 0 355.822 2.165 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000189146939 328131190 /nfs/dbraw/zinc/13/11/90/328131190.db2.gz OWCQQJWPRGSMBM-LSDHHAIUSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1C ZINC000189140635 328130816 /nfs/dbraw/zinc/13/08/16/328130816.db2.gz OLJNYSIJAKWQKS-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189147759 328131387 /nfs/dbraw/zinc/13/13/87/328131387.db2.gz HGJGFCKTYBRWGI-ZIAGYGMSSA-N 1 0 355.460 2.135 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000189276930 328138585 /nfs/dbraw/zinc/13/85/85/328138585.db2.gz RGJJTHITQIZOQD-UHFFFAOYSA-N 1 0 360.414 2.240 20 5 FEBDRO COc1cc(CN2CCCN(C(=O)C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000189285555 328139059 /nfs/dbraw/zinc/13/90/59/328139059.db2.gz CBTHNTVTFHQYHB-UHFFFAOYSA-N 1 0 351.378 2.187 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOCC(F)(F)C(F)F)C2)nc1 ZINC000189677629 328161632 /nfs/dbraw/zinc/16/16/32/328161632.db2.gz YRWPVSZLOTZNLA-JTQLQIEISA-N 1 0 366.315 2.393 20 5 FEBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCOCC1 ZINC000191032201 328246554 /nfs/dbraw/zinc/24/65/54/328246554.db2.gz HFMGZKFEHWESMB-UHFFFAOYSA-N 1 0 361.398 2.266 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)n1 ZINC000191614643 328274050 /nfs/dbraw/zinc/27/40/50/328274050.db2.gz QIMOPVPEFPJDDZ-UHFFFAOYSA-N 1 0 363.393 2.154 20 5 FEBDRO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000191635730 328274896 /nfs/dbraw/zinc/27/48/96/328274896.db2.gz STOCESXCNPIKIU-HNNXBMFYSA-N 1 0 357.414 2.405 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)n1 ZINC000191759996 328280324 /nfs/dbraw/zinc/28/03/24/328280324.db2.gz RIUOHDDCFZQVFO-LBPRGKRZSA-N 1 0 363.443 2.440 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191810608 328283251 /nfs/dbraw/zinc/28/32/51/328283251.db2.gz WYNKSYVCZDDTRY-CYBMUJFWSA-N 1 0 351.451 2.442 20 5 FEBDRO CC(C)[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940106 328347917 /nfs/dbraw/zinc/34/79/17/328347917.db2.gz TVZCCSLCIPYFNQ-ZWKOTPCHSA-N 1 0 361.442 2.445 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193419604 328374252 /nfs/dbraw/zinc/37/42/52/328374252.db2.gz ITPGANZOWNMAFW-QGZVFWFLSA-N 1 0 367.409 2.459 20 5 FEBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193662453 328388399 /nfs/dbraw/zinc/38/83/99/328388399.db2.gz OCIHYASWQQLGPA-INIZCTEOSA-N 1 0 370.409 2.432 20 5 FEBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193733556 328392252 /nfs/dbraw/zinc/39/22/52/328392252.db2.gz UROWVMDLHSFFCI-UHFFFAOYSA-N 1 0 358.398 2.208 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000195103026 328456396 /nfs/dbraw/zinc/45/63/96/328456396.db2.gz MKBPFEBRBZUTOA-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1cccs1 ZINC000015171289 324381244 /nfs/dbraw/zinc/38/12/44/324381244.db2.gz XCEOESJCHFSSAZ-GFCCVEGCSA-N 1 0 370.456 2.019 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000081571887 325185413 /nfs/dbraw/zinc/18/54/13/325185413.db2.gz WFYYHQBAPCFJFF-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO COc1cc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456484 325254703 /nfs/dbraw/zinc/25/47/03/325254703.db2.gz VHTDLWDZRJHRKB-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO CC[NH+](CC)CCSCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089420883 325315286 /nfs/dbraw/zinc/31/52/86/325315286.db2.gz GTJLVEPTEYYTPG-UHFFFAOYSA-N 1 0 351.432 2.485 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090015386 325351651 /nfs/dbraw/zinc/35/16/51/325351651.db2.gz YBQMBQNODUJZRY-LSDHHAIUSA-N 1 0 367.471 2.432 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237897125 328533267 /nfs/dbraw/zinc/53/32/67/328533267.db2.gz AHAKDFVIMHHEGG-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093191594 325437435 /nfs/dbraw/zinc/43/74/35/325437435.db2.gz QMBZCWYQBNSDFR-UHFFFAOYSA-N 1 0 370.409 2.401 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000103162467 325509308 /nfs/dbraw/zinc/50/93/08/325509308.db2.gz VMZFLNRHHWWETM-UHFFFAOYSA-N 1 0 361.851 2.273 20 5 FEBDRO CSc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000113991562 325868042 /nfs/dbraw/zinc/86/80/42/325868042.db2.gz QBKCZBFJXMHSEZ-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000117338528 326057989 /nfs/dbraw/zinc/05/79/89/326057989.db2.gz QSKQBWQLIWPSGT-HNNXBMFYSA-N 1 0 360.414 2.063 20 5 FEBDRO Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000118787513 326102327 /nfs/dbraw/zinc/10/23/27/326102327.db2.gz CTIXKMOUJZXAPN-HNNXBMFYSA-N 1 0 362.430 2.479 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000119480486 326167488 /nfs/dbraw/zinc/16/74/88/326167488.db2.gz KCICPJKJNQVXMA-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO CSC[C@@](C)(O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120680669 326278216 /nfs/dbraw/zinc/27/82/16/326278216.db2.gz QDVIHQKPNKTCDR-INIZCTEOSA-N 1 0 350.444 2.199 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121093273 326312678 /nfs/dbraw/zinc/31/26/78/326312678.db2.gz SWBONAYOYNASSM-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000122389001 326394852 /nfs/dbraw/zinc/39/48/52/326394852.db2.gz MUSIXMJEYFMABT-ZBFHGGJFSA-N 1 0 367.471 2.316 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000123845743 326443355 /nfs/dbraw/zinc/44/33/55/326443355.db2.gz YXJTYIOJGULAPF-AWEZNQCLSA-N 1 0 370.247 2.356 20 5 FEBDRO Cc1ccccc1COC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000131253185 326571027 /nfs/dbraw/zinc/57/10/27/326571027.db2.gz OGHGWVPSEOBSOZ-SFHVURJKSA-N 1 0 374.441 2.142 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000150777848 326667625 /nfs/dbraw/zinc/66/76/25/326667625.db2.gz LVDJTFXDPSKRAT-UHFFFAOYSA-N 1 0 359.448 2.001 20 5 FEBDRO O=c1[nH]cnc2cc(N3CCC[C@@H]([NH+]4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000150885400 326670267 /nfs/dbraw/zinc/67/02/67/326670267.db2.gz ARAXPLSQKASDFG-CYBMUJFWSA-N 1 0 357.414 2.286 20 5 FEBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000152488844 326708748 /nfs/dbraw/zinc/70/87/48/326708748.db2.gz LTVPPNBPBMHRIL-XHDPSFHLSA-N 1 0 350.444 2.197 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000153129983 326724613 /nfs/dbraw/zinc/72/46/13/326724613.db2.gz FTFQHTZFUPPOQK-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000162184302 327018985 /nfs/dbraw/zinc/01/89/85/327018985.db2.gz GNTJKFZLQRPPGO-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163781099 327058664 /nfs/dbraw/zinc/05/86/64/327058664.db2.gz LBUCVNGRBFJQEZ-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170684664 327094006 /nfs/dbraw/zinc/09/40/06/327094006.db2.gz RJMSDALWWSHTTR-KRWDZBQOSA-N 1 0 369.425 2.481 20 5 FEBDRO CCc1n[nH]c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000171397970 327136680 /nfs/dbraw/zinc/13/66/80/327136680.db2.gz XDOKJZLKAWGTTA-UHFFFAOYSA-N 1 0 357.414 2.406 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C)CC2)cc1SC ZINC000171535361 327144850 /nfs/dbraw/zinc/14/48/50/327144850.db2.gz RAKVZSZVEDWAKB-UHFFFAOYSA-N 1 0 353.444 2.492 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000173260672 327244891 /nfs/dbraw/zinc/24/48/91/327244891.db2.gz IQGROOFXCAQVST-TZMCWYRMSA-N 1 0 355.460 2.254 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173829691 327287235 /nfs/dbraw/zinc/28/72/35/327287235.db2.gz LAOXYFNAQLSEKK-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174184425 327311176 /nfs/dbraw/zinc/31/11/76/327311176.db2.gz BMMJIBOQYHTHSS-AWEZNQCLSA-N 1 0 364.446 2.477 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174490832 327330547 /nfs/dbraw/zinc/33/05/47/327330547.db2.gz HQCSKMDRYQWJHH-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000174738256 327347332 /nfs/dbraw/zinc/34/73/32/327347332.db2.gz GZEDRUVYEUUTOV-HNNXBMFYSA-N 1 0 352.341 2.095 20 5 FEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000174751305 327348448 /nfs/dbraw/zinc/34/84/48/327348448.db2.gz XFPVNKURQBJLEX-MJGOQNOKSA-N 1 0 358.442 2.422 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175080520 327372806 /nfs/dbraw/zinc/37/28/06/327372806.db2.gz RXHFSKALRRKYQG-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175084133 327372939 /nfs/dbraw/zinc/37/29/39/327372939.db2.gz YNDBPKNHJMZSEI-KBPBESRZSA-N 1 0 355.460 2.308 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000175261892 327383052 /nfs/dbraw/zinc/38/30/52/327383052.db2.gz LOTSFEKTUDJXKZ-SNVBAGLBSA-N 1 0 373.356 2.292 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175440843 327393162 /nfs/dbraw/zinc/39/31/62/327393162.db2.gz GZUQHTZLVWTNSX-OLZOCXBDSA-N 1 0 350.375 2.414 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175440884 327393201 /nfs/dbraw/zinc/39/32/01/327393201.db2.gz GZUQHTZLVWTNSX-CHWSQXEVSA-N 1 0 350.375 2.414 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175480953 327394989 /nfs/dbraw/zinc/39/49/89/327394989.db2.gz IDRDCYHVUKWHEV-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000176368763 327451467 /nfs/dbraw/zinc/45/14/67/327451467.db2.gz SQPANCBSBJMSDH-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176507225 327459896 /nfs/dbraw/zinc/45/98/96/327459896.db2.gz AOYYAALYCAEAEV-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO COc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000176677017 327469565 /nfs/dbraw/zinc/46/95/65/327469565.db2.gz BJAGQXOKMWZZGB-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO CCOc1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000261838331 328823429 /nfs/dbraw/zinc/82/34/29/328823429.db2.gz PIDNTMRJMXIKID-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO CCOc1cc(C(=O)N2CCC(CC[NH2+]C)CC2)c([N+](=O)[O-])cc1OC ZINC000262024737 328836140 /nfs/dbraw/zinc/83/61/40/328836140.db2.gz JCNSOZMDTDHJOE-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000262192920 328850049 /nfs/dbraw/zinc/85/00/49/328850049.db2.gz ZTIABEAEXMNUBK-ZDUSSCGKSA-N 1 0 360.183 2.307 20 5 FEBDRO COc1cc(CCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000263126807 328918056 /nfs/dbraw/zinc/91/80/56/328918056.db2.gz BJENJWFLDGPKLX-UGSOOPFHSA-N 1 0 365.430 2.178 20 5 FEBDRO C[C@H](CC[NH+](C)C)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000264627594 329042429 /nfs/dbraw/zinc/04/24/29/329042429.db2.gz BMULNAOLNICIGO-SECBINFHSA-N 1 0 351.375 2.343 20 5 FEBDRO Cc1nn(C)c(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)c1[N+](=O)[O-] ZINC000265381154 329120792 /nfs/dbraw/zinc/12/07/92/329120792.db2.gz CMSUKXJMYYSPIS-UHFFFAOYSA-N 1 0 363.447 2.181 20 5 FEBDRO Cn1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265456577 329128981 /nfs/dbraw/zinc/12/89/81/329128981.db2.gz MAAGGNPDBHYOSY-QMMMGPOBSA-N 1 0 365.444 2.051 20 5 FEBDRO COc1cc(C(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1OC ZINC000265936658 329174518 /nfs/dbraw/zinc/17/45/18/329174518.db2.gz HQSSASUTIKMASP-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980824 329178950 /nfs/dbraw/zinc/17/89/50/329178950.db2.gz YXSQRJHKRGRKHO-STQMWFEESA-N 1 0 365.430 2.462 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000266291720 329208682 /nfs/dbraw/zinc/20/86/82/329208682.db2.gz MAJKUPKPAXFRPH-CQSZACIVSA-N 1 0 355.460 2.256 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266304025 329209609 /nfs/dbraw/zinc/20/96/09/329209609.db2.gz KNSOIHPUHZIFAR-ZDUSSCGKSA-N 1 0 351.403 2.168 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266351271 329214072 /nfs/dbraw/zinc/21/40/72/329214072.db2.gz XJPYMNOBPAEADE-OAHLLOKOSA-N 1 0 355.460 2.231 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324440 329314831 /nfs/dbraw/zinc/31/48/31/329314831.db2.gz ZMSTYQVEMWZKRS-CHWSQXEVSA-N 1 0 353.444 2.061 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000267371012 329320052 /nfs/dbraw/zinc/32/00/52/329320052.db2.gz YGNBCNFSBGJRHZ-AWEZNQCLSA-N 1 0 350.419 2.087 20 5 FEBDRO CCOc1cc(NC(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000267478227 329331492 /nfs/dbraw/zinc/33/14/92/329331492.db2.gz XKAVFAMYBWLZMT-UHFFFAOYSA-N 1 0 354.407 2.418 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524584 329335313 /nfs/dbraw/zinc/33/53/13/329335313.db2.gz RMWMYZUPILEEHP-WFASDCNBSA-N 1 0 357.414 2.409 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000268011371 329376601 /nfs/dbraw/zinc/37/66/01/329376601.db2.gz USYPVTYVHUSLCQ-MRXNPFEDSA-N 1 0 362.430 2.023 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268157075 329391327 /nfs/dbraw/zinc/39/13/27/329391327.db2.gz XPUZKTDYWKFUQT-UHFFFAOYSA-N 1 0 358.826 2.016 20 5 FEBDRO COc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000268183651 329394371 /nfs/dbraw/zinc/39/43/71/329394371.db2.gz UGGMSNWLZLPACH-INIZCTEOSA-N 1 0 354.426 2.426 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1=O ZINC000270856302 329638639 /nfs/dbraw/zinc/63/86/39/329638639.db2.gz YSBHWQRIFSTWSJ-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000272311890 329769485 /nfs/dbraw/zinc/76/94/85/329769485.db2.gz IITBWFNLWFPIHJ-UHFFFAOYSA-N 1 0 363.443 2.403 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OCC(F)F ZINC000272449671 329782200 /nfs/dbraw/zinc/78/22/00/329782200.db2.gz PKRGQSUXGUHYEZ-MFKMUULPSA-N 1 0 360.357 2.498 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@@H](C)C[NH2+]1 ZINC000272646646 329801252 /nfs/dbraw/zinc/80/12/52/329801252.db2.gz YKEOPZOODRWTEJ-SFYZADRCSA-N 1 0 360.183 2.319 20 5 FEBDRO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000273458546 329866460 /nfs/dbraw/zinc/86/64/60/329866460.db2.gz QDEUPOFBJVEGTN-GJZGRUSLSA-N 1 0 356.444 2.162 20 5 FEBDRO CCO[C@H]1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486765 329868856 /nfs/dbraw/zinc/86/88/56/329868856.db2.gz VWCSSUWENFWGTJ-HOTGVXAUSA-N 1 0 368.455 2.306 20 5 FEBDRO COc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cc1[N+](=O)[O-] ZINC000273512698 329870722 /nfs/dbraw/zinc/87/07/22/329870722.db2.gz OAWLCGLRAKINLJ-ZBFHGGJFSA-N 1 0 365.455 2.255 20 5 FEBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273647528 329881387 /nfs/dbraw/zinc/88/13/87/329881387.db2.gz VVTLKQRWTUYFCS-RCCFBDPRSA-N 1 0 366.414 2.428 20 5 FEBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000274598274 329963773 /nfs/dbraw/zinc/96/37/73/329963773.db2.gz HBIIRGHYFUXUIE-GXTWGEPZSA-N 1 0 364.402 2.132 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275122252 330012581 /nfs/dbraw/zinc/01/25/81/330012581.db2.gz JXFUHDXCCMBBQZ-XCBNKYQSSA-N 1 0 360.183 2.224 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275135819 330014264 /nfs/dbraw/zinc/01/42/64/330014264.db2.gz SWGNLXRTXAWFTH-SNVBAGLBSA-N 1 0 361.320 2.104 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275794942 330089827 /nfs/dbraw/zinc/08/98/27/330089827.db2.gz ZLPFOTAPAYIHDA-CYBMUJFWSA-N 1 0 363.805 2.299 20 5 FEBDRO COC(=O)[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276469913 330155452 /nfs/dbraw/zinc/15/54/52/330155452.db2.gz YLICNWKJSXHWAS-GXTWGEPZSA-N 1 0 352.387 2.113 20 5 FEBDRO NC(=O)c1ccc(CN2CCC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000367142625 330221733 /nfs/dbraw/zinc/22/17/33/330221733.db2.gz YXCFYEUTPXUPOP-OAHLLOKOSA-N 1 0 360.458 2.392 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000369323843 330239368 /nfs/dbraw/zinc/23/93/68/330239368.db2.gz ZXFWOHKMQJFDCU-JGPRNRPPSA-N 1 0 359.835 2.199 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000554593905 674325335 /nfs/dbraw/zinc/32/53/35/674325335.db2.gz DRQSZTYXNJDMDK-NVXWUHKLSA-N 1 0 365.455 2.289 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155958899 545587628 /nfs/dbraw/zinc/58/76/28/545587628.db2.gz RYWMGTIIKRHMIJ-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157130183 545703329 /nfs/dbraw/zinc/70/33/29/545703329.db2.gz NLLQNAVSYUPBRH-KDOFPFPSSA-N 1 0 369.425 2.337 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000157218647 545714233 /nfs/dbraw/zinc/71/42/33/545714233.db2.gz ALCZCVDCGBJSPP-UHFFFAOYSA-N 1 0 357.410 2.433 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000478048423 561159043 /nfs/dbraw/zinc/15/90/43/561159043.db2.gz QXSRLVPSINVDFS-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000158963892 545909176 /nfs/dbraw/zinc/90/91/76/545909176.db2.gz IOBXKVRVUDBTOL-OAHLLOKOSA-N 1 0 367.471 2.074 20 5 FEBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000160092855 546006808 /nfs/dbraw/zinc/00/68/08/546006808.db2.gz CCBXCZHHLNIUIF-UHFFFAOYSA-N 1 0 374.445 2.001 20 5 FEBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479399904 561188995 /nfs/dbraw/zinc/18/89/95/561188995.db2.gz YCOPKDAZTDJVMX-HUUCEWRRSA-N 1 0 367.471 2.455 20 5 FEBDRO CCc1ccc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000175996052 546386490 /nfs/dbraw/zinc/38/64/90/546386490.db2.gz QDZCCTHFUAKOPA-GOSISDBHSA-N 1 0 374.485 2.399 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000176013267 546390296 /nfs/dbraw/zinc/39/02/96/546390296.db2.gz WJIAVFUDRNXQLY-GFCCVEGCSA-N 1 0 352.435 2.379 20 5 FEBDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000176113848 546408506 /nfs/dbraw/zinc/40/85/06/546408506.db2.gz AQSJUZPYMXMGPA-UHFFFAOYSA-N 1 0 350.419 2.158 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)n1 ZINC000176225841 546421335 /nfs/dbraw/zinc/42/13/35/546421335.db2.gz NRUNKGCXMARFIE-UHFFFAOYSA-N 1 0 369.385 2.116 20 5 FEBDRO C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000176474545 546450762 /nfs/dbraw/zinc/45/07/62/546450762.db2.gz RIMWNRXHLVFLGD-UHFFFAOYSA-N 1 0 372.425 2.438 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816211 546492752 /nfs/dbraw/zinc/49/27/52/546492752.db2.gz DUFCNZMJHLCCBR-GXTWGEPZSA-N 1 0 357.414 2.273 20 5 FEBDRO CN(CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000177070650 546539727 /nfs/dbraw/zinc/53/97/27/546539727.db2.gz STTANMSHRNKEMU-UHFFFAOYSA-N 1 0 374.416 2.418 20 5 FEBDRO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217297 546572723 /nfs/dbraw/zinc/57/27/23/546572723.db2.gz XPSXTWCAXCLLHS-SKDRFNHKSA-N 1 0 362.386 2.475 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000481042039 561223568 /nfs/dbraw/zinc/22/35/68/561223568.db2.gz VMZYQFIWNDKTEI-ZDUSSCGKSA-N 1 0 364.446 2.204 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000481829952 561243500 /nfs/dbraw/zinc/24/35/00/561243500.db2.gz MZBLZMMYPFELSH-AEFFLSMTSA-N 1 0 357.385 2.490 20 5 FEBDRO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000481965270 561246300 /nfs/dbraw/zinc/24/63/00/561246300.db2.gz GHNSHBMDSVYSDB-HNNXBMFYSA-N 1 0 363.458 2.226 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCOCC1 ZINC000179839093 547019976 /nfs/dbraw/zinc/01/99/76/547019976.db2.gz OFZFJHUWQYDHOG-GFCCVEGCSA-N 1 0 351.403 2.337 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc([N+](=O)[O-])c1F ZINC000180106897 547052213 /nfs/dbraw/zinc/05/22/13/547052213.db2.gz ANYSSNQMNDHSSP-UHFFFAOYSA-N 1 0 366.374 2.082 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180840572 547190227 /nfs/dbraw/zinc/19/02/27/547190227.db2.gz PBVXNEMOOJFATN-JTQLQIEISA-N 1 0 355.341 2.410 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181072266 547242779 /nfs/dbraw/zinc/24/27/79/547242779.db2.gz OBPNRKWXZAOJGR-UHFFFAOYSA-N 1 0 355.460 2.403 20 5 FEBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2=O)c1 ZINC000181397875 547308365 /nfs/dbraw/zinc/30/83/65/547308365.db2.gz CBVKOCULLOCWFP-AWEZNQCLSA-N 1 0 370.409 2.234 20 5 FEBDRO CNc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)cccc1[N+](=O)[O-] ZINC000483378796 561275226 /nfs/dbraw/zinc/27/52/26/561275226.db2.gz FMRWETIFLHBQDL-CABCVRRESA-N 1 0 364.471 2.288 20 5 FEBDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000181574595 547339366 /nfs/dbraw/zinc/33/93/66/547339366.db2.gz YKFGCBQPKLNTOJ-MRXNPFEDSA-N 1 0 358.394 2.401 20 5 FEBDRO O=C(CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000181745820 547372794 /nfs/dbraw/zinc/37/27/94/547372794.db2.gz MIDCTNGZUAXHMG-LSDHHAIUSA-N 1 0 369.418 2.269 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901766 547401704 /nfs/dbraw/zinc/40/17/04/547401704.db2.gz NJCQOTUBHMOGIY-DLBZAZTESA-N 1 0 363.458 2.285 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000182099580 547437487 /nfs/dbraw/zinc/43/74/87/547437487.db2.gz SWPRIYHOCRUNFZ-GFCCVEGCSA-N 1 0 355.822 2.317 20 5 FEBDRO C[C@H](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182252155 547461405 /nfs/dbraw/zinc/46/14/05/547461405.db2.gz VKBZDHKKZQRFLG-CQSZACIVSA-N 1 0 372.429 2.170 20 5 FEBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCO1 ZINC000182384417 547483336 /nfs/dbraw/zinc/48/33/36/547483336.db2.gz PITHCRHCAXUOQN-CZUORRHYSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1ccc(C[N@H+](CCO)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182518637 547506694 /nfs/dbraw/zinc/50/66/94/547506694.db2.gz NONXRGMFSYVFGJ-KRWDZBQOSA-N 1 0 360.410 2.137 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182961749 547579463 /nfs/dbraw/zinc/57/94/63/547579463.db2.gz JLEAGDCZSAOKDF-VXGBXAGGSA-N 1 0 359.423 2.146 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000183652877 547695989 /nfs/dbraw/zinc/69/59/89/547695989.db2.gz OBYGFGHVDBAKPT-OAHLLOKOSA-N 1 0 353.419 2.319 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000183709952 547705863 /nfs/dbraw/zinc/70/58/63/547705863.db2.gz ITZYBAMUOMDMLL-KRWDZBQOSA-N 1 0 370.471 2.289 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000183721540 547707252 /nfs/dbraw/zinc/70/72/52/547707252.db2.gz MKIOOOAVIBIWCP-LBPRGKRZSA-N 1 0 359.386 2.371 20 5 FEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484615639 561301249 /nfs/dbraw/zinc/30/12/49/561301249.db2.gz FFNMYPPKKSEXRF-HOCLYGCPSA-N 1 0 351.403 2.015 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183878275 547733236 /nfs/dbraw/zinc/73/32/36/547733236.db2.gz XJXDTGGHLSGTKT-KGLIPLIRSA-N 1 0 363.414 2.397 20 5 FEBDRO COc1cc(CN2CCC(C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184246752 547793961 /nfs/dbraw/zinc/79/39/61/547793961.db2.gz IZTOIOVPMTZGBW-UHFFFAOYSA-N 1 0 367.421 2.287 20 5 FEBDRO COc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000184287856 547800809 /nfs/dbraw/zinc/80/08/09/547800809.db2.gz XDWHSMQOLALFOM-UHFFFAOYSA-N 1 0 368.453 2.200 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000484880120 561307728 /nfs/dbraw/zinc/30/77/28/561307728.db2.gz WZKDAQLBIDVLSG-OAGGEKHMSA-N 1 0 352.431 2.472 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000484897803 561308129 /nfs/dbraw/zinc/30/81/29/561308129.db2.gz AGGAEHOWFNXJSN-UXLLHSPISA-N 1 0 352.431 2.472 20 5 FEBDRO C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184807753 547881222 /nfs/dbraw/zinc/88/12/22/547881222.db2.gz AESGPLOGTUQJRD-UHFFFAOYSA-N 1 0 371.441 2.209 20 5 FEBDRO C[NH+](C)CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000194376960 548471664 /nfs/dbraw/zinc/47/16/64/548471664.db2.gz JSWRWRKEXHLFRI-UHFFFAOYSA-N 1 0 359.423 2.086 20 5 FEBDRO CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194627966 548507583 /nfs/dbraw/zinc/50/75/83/548507583.db2.gz SBIYLTSPUKPQKQ-INIZCTEOSA-N 1 0 360.458 2.412 20 5 FEBDRO CSc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000486690077 561354389 /nfs/dbraw/zinc/35/43/89/561354389.db2.gz RUNJYBXJNDVULC-HNNXBMFYSA-N 1 0 355.485 2.484 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000486883925 561358870 /nfs/dbraw/zinc/35/88/70/561358870.db2.gz KIAHDQVILSARFU-GFCCVEGCSA-N 1 0 364.402 2.153 20 5 FEBDRO CC(C)[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CCN1C ZINC000487104350 561363886 /nfs/dbraw/zinc/36/38/86/561363886.db2.gz ZURSMPJJYXOXSQ-KRWDZBQOSA-N 1 0 371.441 2.336 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[C@@H]1CCC[NH2+]C1 ZINC000236567810 548767318 /nfs/dbraw/zinc/76/73/18/548767318.db2.gz SJFGQGDHXXIGMF-NSHDSACASA-N 1 0 370.247 2.406 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CCCC[NH2+]1 ZINC000236567832 548767418 /nfs/dbraw/zinc/76/74/18/548767418.db2.gz LLQMEFJJSGZDHQ-NSHDSACASA-N 1 0 356.220 2.158 20 5 FEBDRO CC[C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237058481 548797102 /nfs/dbraw/zinc/79/71/02/548797102.db2.gz SQRGTHZRJXQPFZ-KBPBESRZSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000245434284 548918926 /nfs/dbraw/zinc/91/89/26/548918926.db2.gz CFHUPYKHXDWQCJ-UKRRQHHQSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000245455395 548925058 /nfs/dbraw/zinc/92/50/58/548925058.db2.gz SOVQJEUUXUNSKJ-ZIAGYGMSSA-N 1 0 364.446 2.204 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488020725 561381577 /nfs/dbraw/zinc/38/15/77/561381577.db2.gz BYPKQLZLYXXYTK-HRCADAONSA-N 1 0 352.431 2.472 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C2CC2)cc1 ZINC000245910232 549017421 /nfs/dbraw/zinc/01/74/21/549017421.db2.gz VLOLPNIIFNQKBE-ZWKOTPCHSA-N 1 0 350.415 2.116 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488983874 561400963 /nfs/dbraw/zinc/40/09/63/561400963.db2.gz PUJIPVSMJBNOBT-CQSZACIVSA-N 1 0 364.446 2.240 20 5 FEBDRO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@@H+]1C[C@H](C)O ZINC000247098426 549282982 /nfs/dbraw/zinc/28/29/82/549282982.db2.gz QFRJOFGYRUVFQJ-JSGCOSHPSA-N 1 0 350.419 2.212 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000247335541 549320243 /nfs/dbraw/zinc/32/02/43/549320243.db2.gz HGGGPXOKZYKHJK-WCQYABFASA-N 1 0 373.862 2.353 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000247923381 549392317 /nfs/dbraw/zinc/39/23/17/549392317.db2.gz CGDKQXUJEYFJJM-CVEARBPZSA-N 1 0 367.471 2.026 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[N@@H+]1C ZINC000489309948 561407756 /nfs/dbraw/zinc/40/77/56/561407756.db2.gz BMQLLNCTWGHKPH-INIZCTEOSA-N 1 0 372.425 2.320 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248217516 549416637 /nfs/dbraw/zinc/41/66/37/549416637.db2.gz ZXIFFHZGVQKQKR-RDTXWAMCSA-N 1 0 369.425 2.337 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000248648691 549476500 /nfs/dbraw/zinc/47/65/00/549476500.db2.gz UEHFHDIDCAGCPL-WCFLWFBJSA-N 1 0 353.806 2.213 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCO[C@H]1C ZINC000489472065 561412392 /nfs/dbraw/zinc/41/23/92/561412392.db2.gz BVCZWGZEUTYOAJ-WMLDXEAASA-N 1 0 365.430 2.358 20 5 FEBDRO [NH3+]C1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000489943419 561422883 /nfs/dbraw/zinc/42/28/83/561422883.db2.gz BNKYBRVLQPPZPM-UHFFFAOYSA-N 1 0 360.336 2.413 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000261657980 549739954 /nfs/dbraw/zinc/73/99/54/549739954.db2.gz KKBDUZPQQZLDRW-JKOKRWQUSA-N 1 0 373.862 2.305 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000268798044 550117312 /nfs/dbraw/zinc/11/73/12/550117312.db2.gz IIBLIWVNWVRHPZ-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000268971352 550139292 /nfs/dbraw/zinc/13/92/92/550139292.db2.gz MXFOTBAECFWNNI-HZPDHXFCSA-N 1 0 365.455 2.438 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269169669 550163633 /nfs/dbraw/zinc/16/36/33/550163633.db2.gz HHBIRKYTGMDIGZ-MRVPVSSYSA-N 1 0 360.183 2.226 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000269345077 550183615 /nfs/dbraw/zinc/18/36/15/550183615.db2.gz DVXHHHXGOHLYSJ-UHFFFAOYSA-N 1 0 374.485 2.154 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N2CCCC2=O)C1 ZINC000270912042 550320268 /nfs/dbraw/zinc/32/02/68/550320268.db2.gz OAWWTVQVLSVLID-DOMZBBRYSA-N 1 0 371.397 2.403 20 5 FEBDRO COCCC[N@H+](CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271128227 550343394 /nfs/dbraw/zinc/34/33/94/550343394.db2.gz OCJICIOMWFYGQM-UHFFFAOYSA-N 1 0 362.430 2.480 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000271152779 550345328 /nfs/dbraw/zinc/34/53/28/550345328.db2.gz LTJIMAXRNBXOJZ-LBPRGKRZSA-N 1 0 352.387 2.197 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271174207 550348126 /nfs/dbraw/zinc/34/81/26/550348126.db2.gz GGLYPAACOWRNTN-CYBMUJFWSA-N 1 0 354.403 2.097 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000271433940 550375104 /nfs/dbraw/zinc/37/51/04/550375104.db2.gz SCITVNPMFGOUJG-HOCLYGCPSA-N 1 0 371.441 2.453 20 5 FEBDRO C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccccc1[N+](=O)[O-] ZINC000272099425 550422931 /nfs/dbraw/zinc/42/29/31/550422931.db2.gz LBGJSOJCQHAYBT-CYBMUJFWSA-N 1 0 358.398 2.421 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccsc1 ZINC000272175407 550426785 /nfs/dbraw/zinc/42/67/85/550426785.db2.gz COFSCVOLKWBCAS-CYBMUJFWSA-N 1 0 363.395 2.418 20 5 FEBDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000272252730 550431644 /nfs/dbraw/zinc/43/16/44/550431644.db2.gz CEWIQPLRMUUPEP-ZWNOBZJWSA-N 1 0 360.357 2.450 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295007 550434949 /nfs/dbraw/zinc/43/49/49/550434949.db2.gz HSFJEUWCZJLNAS-RNCFNFMXSA-N 1 0 355.341 2.409 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000494383209 561468357 /nfs/dbraw/zinc/46/83/57/561468357.db2.gz FJBKKYGXTMBJQJ-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000272551462 550457497 /nfs/dbraw/zinc/45/74/97/550457497.db2.gz CYJCTYSUUQNRHX-KXBFYZLASA-N 1 0 372.469 2.364 20 5 FEBDRO COc1ccc(OCCn2c3ccccc3nc2NCCO)c([N+](=O)[O-])c1 ZINC000272960323 550478328 /nfs/dbraw/zinc/47/83/28/550478328.db2.gz ZUABYAHXPUFRRM-UHFFFAOYSA-N 1 0 372.381 2.436 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCn4ccnc4)CC3)nc2c1 ZINC000274864238 550560844 /nfs/dbraw/zinc/56/08/44/550560844.db2.gz VDENPOGAXOVZOA-UHFFFAOYSA-N 1 0 369.429 2.270 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000494669570 561473701 /nfs/dbraw/zinc/47/37/01/561473701.db2.gz CDPHSUGUCPTMQI-STQMWFEESA-N 1 0 352.412 2.028 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277006783 550621039 /nfs/dbraw/zinc/62/10/39/550621039.db2.gz KWLLOPQSSRSZEP-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000494841263 561477720 /nfs/dbraw/zinc/47/77/20/561477720.db2.gz AFSNVNNNFLNAFM-UHFFFAOYSA-N 1 0 350.463 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000277490316 550677043 /nfs/dbraw/zinc/67/70/43/550677043.db2.gz NRYFQLYFIFIFAI-INIZCTEOSA-N 1 0 353.444 2.031 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494883875 561478488 /nfs/dbraw/zinc/47/84/88/561478488.db2.gz UJENUUAQUKLOAE-LOWVWBTDSA-N 1 0 353.806 2.226 20 5 FEBDRO CC1CC[NH+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277933561 550730511 /nfs/dbraw/zinc/73/05/11/550730511.db2.gz QZAUZPPAFILVLI-UHFFFAOYSA-N 1 0 360.418 2.002 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000278572150 550800454 /nfs/dbraw/zinc/80/04/54/550800454.db2.gz NRIQKUJPFPTCGI-KBPBESRZSA-N 1 0 350.419 2.130 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278736002 550816253 /nfs/dbraw/zinc/81/62/53/550816253.db2.gz QTIVWELNUUJYJJ-UHFFFAOYSA-N 1 0 362.434 2.344 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278827889 550826411 /nfs/dbraw/zinc/82/64/11/550826411.db2.gz UQXXSTHEGJCMLO-ZDUSSCGKSA-N 1 0 374.441 2.169 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1F ZINC000278866067 550830598 /nfs/dbraw/zinc/83/05/98/550830598.db2.gz MOWKSFWJDCXNGL-UHFFFAOYSA-N 1 0 365.405 2.227 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000279266680 550871731 /nfs/dbraw/zinc/87/17/31/550871731.db2.gz MVYZZGSPHZUEAF-LTCOOKNTSA-N 1 0 362.426 2.272 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496272251 561493306 /nfs/dbraw/zinc/49/33/06/561493306.db2.gz OADDNVYTRHXWHD-OAHLLOKOSA-N 1 0 357.414 2.445 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000496274916 561493407 /nfs/dbraw/zinc/49/34/07/561493407.db2.gz ZWKWMMPECRMWBE-UHFFFAOYSA-N 1 0 360.414 2.322 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282028526 551171724 /nfs/dbraw/zinc/17/17/24/551171724.db2.gz ZOESGLVGLWUFNI-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000282852750 551277685 /nfs/dbraw/zinc/27/76/85/551277685.db2.gz SJPWAKJVOLHNFN-AWEZNQCLSA-N 1 0 365.430 2.224 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000283464525 551370613 /nfs/dbraw/zinc/37/06/13/551370613.db2.gz VTWXUKAHLLDKFP-IUODEOHRSA-N 1 0 360.414 2.103 20 5 FEBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000283601561 551394713 /nfs/dbraw/zinc/39/47/13/551394713.db2.gz SYWZBWLEPYFJFO-ZDUSSCGKSA-N 1 0 353.394 2.291 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000284216579 551505972 /nfs/dbraw/zinc/50/59/72/551505972.db2.gz AQSNJJWPTDHSAK-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000284448579 551551270 /nfs/dbraw/zinc/55/12/70/551551270.db2.gz QTTFJNNGLBEKDY-GJZGRUSLSA-N 1 0 353.444 2.111 20 5 FEBDRO COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285336080 551740042 /nfs/dbraw/zinc/74/00/42/551740042.db2.gz UMVARLBUEPJGPA-LBPRGKRZSA-N 1 0 358.398 2.266 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000285450638 551758837 /nfs/dbraw/zinc/75/88/37/551758837.db2.gz YKQPKHFKQQWLBJ-SFHVURJKSA-N 1 0 363.414 2.113 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000285458581 551759612 /nfs/dbraw/zinc/75/96/12/551759612.db2.gz ZCCHYLZJDHWDSF-QWHCGFSZSA-N 1 0 371.434 2.290 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000285996333 551836147 /nfs/dbraw/zinc/83/61/47/551836147.db2.gz DAVJPMFXXRCTNM-UHFFFAOYSA-N 1 0 363.414 2.484 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641966 551909638 /nfs/dbraw/zinc/90/96/38/551909638.db2.gz BHUHBAZUUWLAFC-GXTWGEPZSA-N 1 0 363.414 2.311 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286815794 551928990 /nfs/dbraw/zinc/92/89/90/551928990.db2.gz USESZRMTCULLDL-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287488034 552010759 /nfs/dbraw/zinc/01/07/59/552010759.db2.gz SPXYBOVXDLIPHD-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000288128234 552096206 /nfs/dbraw/zinc/09/62/06/552096206.db2.gz KMXHUZOMBXQMLH-HOCLYGCPSA-N 1 0 374.441 2.235 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000288919318 552236084 /nfs/dbraw/zinc/23/60/84/552236084.db2.gz VNNIWCSLLVJIDX-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500151417 561567007 /nfs/dbraw/zinc/56/70/07/561567007.db2.gz AEJAWTOHNMISSA-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[NH+](C)[C@]1(CNc2c(Br)cncc2[N+](=O)[O-])CCSC1 ZINC000500270803 561569260 /nfs/dbraw/zinc/56/92/60/561569260.db2.gz GYDHSESANUCTFS-LBPRGKRZSA-N 1 0 361.265 2.023 20 5 FEBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289519966 552334441 /nfs/dbraw/zinc/33/44/41/552334441.db2.gz NTPMWHUREMKHDG-BDAKNGLRSA-N 1 0 364.183 2.306 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1SC ZINC000289538449 552337272 /nfs/dbraw/zinc/33/72/72/552337272.db2.gz BNNDSEQYQJJAKY-WDEREUQCSA-N 1 0 351.428 2.007 20 5 FEBDRO C[C@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289549533 552339219 /nfs/dbraw/zinc/33/92/19/552339219.db2.gz QBTYCNTVJKEUHB-QMMMGPOBSA-N 1 0 350.156 2.060 20 5 FEBDRO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000500412956 561572346 /nfs/dbraw/zinc/57/23/46/561572346.db2.gz FMVGTOWEAPVZIH-KRWDZBQOSA-N 1 0 358.398 2.498 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccccc1 ZINC000500982724 561586973 /nfs/dbraw/zinc/58/69/73/561586973.db2.gz HOQVGMOMVGAXOI-UHFFFAOYSA-N 1 0 370.409 2.172 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000291232694 552603938 /nfs/dbraw/zinc/60/39/38/552603938.db2.gz ITTFUMLGCAEUHE-TZMCWYRMSA-N 1 0 362.430 2.037 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000292805591 552760265 /nfs/dbraw/zinc/76/02/65/552760265.db2.gz MRGCSJIZCLKUQN-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO CC(C)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCC1 ZINC000293076324 552786623 /nfs/dbraw/zinc/78/66/23/552786623.db2.gz OLROWJGCSBVSLW-SFHVURJKSA-N 1 0 361.442 2.261 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000293114364 552790266 /nfs/dbraw/zinc/79/02/66/552790266.db2.gz LVWWMVZSUHBDII-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570216 552836375 /nfs/dbraw/zinc/83/63/75/552836375.db2.gz DJQQVGURRRKKAM-ZDUSSCGKSA-N 1 0 363.439 2.443 20 5 FEBDRO CSc1ccc([C@H](CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294241292 552890452 /nfs/dbraw/zinc/89/04/52/552890452.db2.gz DXXRYGSFQZRJHE-ZDUSSCGKSA-N 1 0 363.443 2.381 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccnn2CC[NH+](C)C)c1 ZINC000294272434 552892936 /nfs/dbraw/zinc/89/29/36/552892936.db2.gz ZHTLAJCPKFJHMJ-UHFFFAOYSA-N 1 0 361.402 2.069 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778867 561605404 /nfs/dbraw/zinc/60/54/04/561605404.db2.gz WPEISYRFHCLSHM-IRXDYDNUSA-N 1 0 370.453 2.351 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NC(=O)NCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000294955825 552946992 /nfs/dbraw/zinc/94/69/92/552946992.db2.gz BFCZPJSTZQXWGK-NSHDSACASA-N 1 0 362.411 2.333 20 5 FEBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000295040962 552953357 /nfs/dbraw/zinc/95/33/57/552953357.db2.gz FYBOKSOGHMYRLJ-GFCCVEGCSA-N 1 0 353.806 2.043 20 5 FEBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295303097 552984058 /nfs/dbraw/zinc/98/40/58/552984058.db2.gz MLBIPFPSIRZUCS-TZMCWYRMSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296441316 553160120 /nfs/dbraw/zinc/16/01/20/553160120.db2.gz WOWOPQMYHCNBEA-VUCTXSBTSA-N 1 0 361.398 2.089 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000502694508 561623509 /nfs/dbraw/zinc/62/35/09/561623509.db2.gz OFEVSZVREZSPKW-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000296551884 553178439 /nfs/dbraw/zinc/17/84/39/553178439.db2.gz MYEVXZMABWWZKX-HNNXBMFYSA-N 1 0 351.403 2.320 20 5 FEBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000296715390 553202140 /nfs/dbraw/zinc/20/21/40/553202140.db2.gz DOVARXPLLUFSQV-HNNXBMFYSA-N 1 0 362.430 2.160 20 5 FEBDRO CCN1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297574646 553310587 /nfs/dbraw/zinc/31/05/87/553310587.db2.gz SGYNODIACWUHNO-OCCSQVGLSA-N 1 0 353.444 2.061 20 5 FEBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923484 553357978 /nfs/dbraw/zinc/35/79/78/553357978.db2.gz QPKGJAWMTGDPBB-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000298075649 553380865 /nfs/dbraw/zinc/38/08/65/553380865.db2.gz JTZSRRXUDIJCOH-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000298708019 553461275 /nfs/dbraw/zinc/46/12/75/553461275.db2.gz GTXHJHIIBNFLDI-SECBINFHSA-N 1 0 362.329 2.446 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299026698 553505481 /nfs/dbraw/zinc/50/54/81/553505481.db2.gz RGDGNRZIHLYHMT-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000299455177 553565419 /nfs/dbraw/zinc/56/54/19/553565419.db2.gz UVOWIFSVMGIUJM-HNNXBMFYSA-N 1 0 359.430 2.309 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302885 561655995 /nfs/dbraw/zinc/65/59/95/561655995.db2.gz PXLWLGQYSTXSDP-HOTGVXAUSA-N 1 0 373.457 2.053 20 5 FEBDRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299729363 553608957 /nfs/dbraw/zinc/60/89/57/553608957.db2.gz WGWRDRQAMTVYBI-HIFRSBDPSA-N 1 0 363.414 2.047 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000301092001 553621484 /nfs/dbraw/zinc/62/14/84/553621484.db2.gz IJPIZRGFSUICAK-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301166111 553627564 /nfs/dbraw/zinc/62/75/64/553627564.db2.gz INFOFFOWMSCAQS-CYBMUJFWSA-N 1 0 357.414 2.142 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301230293 553633271 /nfs/dbraw/zinc/63/32/71/553633271.db2.gz FBQRGIPPTMFOGD-SNVBAGLBSA-N 1 0 363.386 2.345 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301792525 553679821 /nfs/dbraw/zinc/67/98/21/553679821.db2.gz RGTYWYRMAPTFJA-SUMWQHHRSA-N 1 0 358.442 2.408 20 5 FEBDRO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@@H+]2C2CC2)c1 ZINC000302031211 553699024 /nfs/dbraw/zinc/69/90/24/553699024.db2.gz IKWOTLZGEOGKOG-GOEBONIOSA-N 1 0 370.413 2.366 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)CC1 ZINC000505226463 561668300 /nfs/dbraw/zinc/66/83/00/561668300.db2.gz WLHXODHUKTVZBR-UHFFFAOYSA-N 1 0 357.414 2.480 20 5 FEBDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000505575580 561674314 /nfs/dbraw/zinc/67/43/14/561674314.db2.gz SUESVOFIFXMTJT-UHFFFAOYSA-N 1 0 374.235 2.435 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000324160020 553771379 /nfs/dbraw/zinc/77/13/79/553771379.db2.gz CBDOBFSUTUGXCV-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1C ZINC000326838413 553783556 /nfs/dbraw/zinc/78/35/56/553783556.db2.gz KQGYAWUIEQHTAH-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508154560 561753593 /nfs/dbraw/zinc/75/35/93/561753593.db2.gz KOPUAHBIWOCMKK-INIZCTEOSA-N 1 0 356.430 2.455 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000330828684 554176089 /nfs/dbraw/zinc/17/60/89/554176089.db2.gz GKCOVBNCFNHGPA-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000330925453 554189609 /nfs/dbraw/zinc/18/96/09/554189609.db2.gz UUCWCDSGQNQPTJ-AWEZNQCLSA-N 1 0 355.460 2.398 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330996644 554198893 /nfs/dbraw/zinc/19/88/93/554198893.db2.gz OUCUEDKFGPCSAG-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO Cn1c2ccc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2oc1=O ZINC000508680512 561769389 /nfs/dbraw/zinc/76/93/89/561769389.db2.gz POXJUVUKSGWXCH-ZDUSSCGKSA-N 1 0 369.381 2.121 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000331827749 554326069 /nfs/dbraw/zinc/32/60/69/554326069.db2.gz BHAVGXNDSZMVGW-UHFFFAOYSA-N 1 0 351.403 2.152 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1C ZINC000331908204 554344420 /nfs/dbraw/zinc/34/44/20/554344420.db2.gz MPYZISQFNIRFLP-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028471 554366376 /nfs/dbraw/zinc/36/63/76/554366376.db2.gz JGJVTEGGZKFQJL-GOEBONIOSA-N 1 0 360.458 2.289 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000332440660 554446600 /nfs/dbraw/zinc/44/66/00/554446600.db2.gz CGEVCALGOHJAHJ-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510720091 561844411 /nfs/dbraw/zinc/84/44/11/561844411.db2.gz LZORSWNXCSFVMA-UONOGXRCSA-N 1 0 353.444 2.041 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000511313216 561864850 /nfs/dbraw/zinc/86/48/50/561864850.db2.gz GRISUOAIADHAPO-UHFFFAOYSA-N 1 0 359.423 2.230 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000361141082 554905881 /nfs/dbraw/zinc/90/58/81/554905881.db2.gz IJYFXULWXOKXSA-UKRRQHHQSA-N 1 0 357.414 2.045 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000361776390 554934308 /nfs/dbraw/zinc/93/43/08/554934308.db2.gz UFOPNAWTHRBALN-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290413 554960907 /nfs/dbraw/zinc/96/09/07/554960907.db2.gz RODBERZZWFBKRK-DOMZBBRYSA-N 1 0 362.386 2.286 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363257805 555065515 /nfs/dbraw/zinc/06/55/15/555065515.db2.gz BAFDXXXRLWUIHS-LXZKKBNFSA-N 1 0 365.455 2.008 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458203 555110829 /nfs/dbraw/zinc/11/08/29/555110829.db2.gz ZAWUNTMONOLGTD-RYUDHWBXSA-N 1 0 354.794 2.233 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000363732842 555174488 /nfs/dbraw/zinc/17/44/88/555174488.db2.gz DEHRGDDBHWNBPK-CVEARBPZSA-N 1 0 359.357 2.309 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000363775075 555183395 /nfs/dbraw/zinc/18/33/95/555183395.db2.gz CUDYYZVXHSDMEK-CQSZACIVSA-N 1 0 366.368 2.310 20 5 FEBDRO COC(=O)c1cn([C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994528 555229822 /nfs/dbraw/zinc/22/98/22/555229822.db2.gz BMGXNGKLLAPLCB-DOMZBBRYSA-N 1 0 359.386 2.371 20 5 FEBDRO COCC[C@@H]1CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138646 555257125 /nfs/dbraw/zinc/25/71/25/555257125.db2.gz KIWLXWSLAPYLJM-DOTOQJQBSA-N 1 0 352.431 2.473 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335439 555293602 /nfs/dbraw/zinc/29/36/02/555293602.db2.gz IZOYVHLDZYWNKK-GDBMZVCRSA-N 1 0 361.358 2.070 20 5 FEBDRO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364383255 555303225 /nfs/dbraw/zinc/30/32/25/555303225.db2.gz UYMAFXDMGJZWIK-AEFFLSMTSA-N 1 0 371.441 2.128 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653936 555364197 /nfs/dbraw/zinc/36/41/97/555364197.db2.gz WFPXIWUJQIKYEQ-SMDDNHRTSA-N 1 0 363.443 2.121 20 5 FEBDRO COC(=O)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000364765010 555396427 /nfs/dbraw/zinc/39/64/27/555396427.db2.gz RQYYACQTFXGJPE-LLVKDONJSA-N 1 0 369.805 2.318 20 5 FEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000512658892 561911625 /nfs/dbraw/zinc/91/16/25/561911625.db2.gz ATNOINRZRPOIAP-MGPQQGTHSA-N 1 0 355.460 2.287 20 5 FEBDRO C[C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000512658893 561911661 /nfs/dbraw/zinc/91/16/61/561911661.db2.gz ATNOINRZRPOIAP-RDBSUJKOSA-N 1 0 355.460 2.287 20 5 FEBDRO CCC[C@]1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCOC1 ZINC000512869145 561918306 /nfs/dbraw/zinc/91/83/06/561918306.db2.gz ODEKWZHSBRWQDF-KRWDZBQOSA-N 1 0 352.387 2.195 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000365496073 555590814 /nfs/dbraw/zinc/59/08/14/555590814.db2.gz TVGUNZYEYPIDDG-CQSZACIVSA-N 1 0 357.366 2.419 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000366200925 555779913 /nfs/dbraw/zinc/77/99/13/555779913.db2.gz YYXLXYGJGILHGU-INIZCTEOSA-N 1 0 374.441 2.152 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)c1C ZINC000366474107 555854207 /nfs/dbraw/zinc/85/42/07/555854207.db2.gz MAZIPFAVZSTEKC-LSDHHAIUSA-N 1 0 367.471 2.364 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000366627088 555893881 /nfs/dbraw/zinc/89/38/81/555893881.db2.gz LRNPDFGXRRJVSG-UHFFFAOYSA-N 1 0 374.397 2.294 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657697 555901372 /nfs/dbraw/zinc/90/13/72/555901372.db2.gz SEJQKAXKGUHJBY-AEFFLSMTSA-N 1 0 361.442 2.353 20 5 FEBDRO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366744282 555923583 /nfs/dbraw/zinc/92/35/83/555923583.db2.gz ICZDEBIWNLVIQA-QLFBSQMISA-N 1 0 363.462 2.321 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208769 561963873 /nfs/dbraw/zinc/96/38/73/561963873.db2.gz OODOPUHLUYTODG-GFCCVEGCSA-N 1 0 373.356 2.037 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000514317445 561965683 /nfs/dbraw/zinc/96/56/83/561965683.db2.gz PTYBQEHIFAUZPK-DOTOQJQBSA-N 1 0 374.393 2.106 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+]([C@H]4CCC[C@H]4O)CC3)co2)cc1 ZINC000366898190 555963518 /nfs/dbraw/zinc/96/35/18/555963518.db2.gz ZZSITKUQSYBVHL-ZWKOTPCHSA-N 1 0 372.425 2.281 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000514573266 561967243 /nfs/dbraw/zinc/96/72/43/561967243.db2.gz HCHPMNPJPNRZGV-OAHLLOKOSA-N 1 0 357.366 2.356 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367407633 556040492 /nfs/dbraw/zinc/04/04/92/556040492.db2.gz ILWHQHBIVSWZGE-GOSISDBHSA-N 1 0 356.382 2.064 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000367644654 556103726 /nfs/dbraw/zinc/10/37/26/556103726.db2.gz UIYCCCDDZCZQPF-HZPDHXFCSA-N 1 0 371.393 2.185 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830701 556149387 /nfs/dbraw/zinc/14/93/87/556149387.db2.gz IHWDFFPQHLRFEN-RDJZCZTQSA-N 1 0 363.458 2.283 20 5 FEBDRO C[N@@H+]1CCCC12CCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000367830386 556149553 /nfs/dbraw/zinc/14/95/53/556149553.db2.gz HBXNNGJCFBXVAB-UHFFFAOYSA-N 1 0 359.473 2.124 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000367986773 556188677 /nfs/dbraw/zinc/18/86/77/556188677.db2.gz KFFWMNMGDZIQST-ZDUSSCGKSA-N 1 0 370.409 2.310 20 5 FEBDRO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000367993456 556190856 /nfs/dbraw/zinc/19/08/56/556190856.db2.gz LOGMUMWTSIVEMI-HNNXBMFYSA-N 1 0 373.413 2.434 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC23CC[NH2+]CC3)c([N+](=O)[O-])cc1OC(F)F ZINC000368145587 556229741 /nfs/dbraw/zinc/22/97/41/556229741.db2.gz HEVUTSGVHMCAMZ-ZDUSSCGKSA-N 1 0 371.340 2.077 20 5 FEBDRO CC[NH+]1CCC(N(C2CC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000368183353 556241433 /nfs/dbraw/zinc/24/14/33/556241433.db2.gz WSSXPFOHIQRYFL-UHFFFAOYSA-N 1 0 353.444 2.232 20 5 FEBDRO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000515123881 561997055 /nfs/dbraw/zinc/99/70/55/561997055.db2.gz KUFRRHMGPVODMR-ZACQAIPSSA-N 1 0 365.478 2.221 20 5 FEBDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000368292111 556269900 /nfs/dbraw/zinc/26/99/00/556269900.db2.gz TVHIQUQKUMQPIR-DZGCQCFKSA-N 1 0 367.450 2.417 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000368430854 556307382 /nfs/dbraw/zinc/30/73/82/556307382.db2.gz ZWHXTDLYLZGNFH-MNOVXSKESA-N 1 0 359.835 2.072 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000515310360 562004507 /nfs/dbraw/zinc/00/45/07/562004507.db2.gz RHDPTFFPUQDLOQ-STQMWFEESA-N 1 0 355.410 2.046 20 5 FEBDRO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368556450 556344770 /nfs/dbraw/zinc/34/47/70/556344770.db2.gz XCZWQWCYNURRCT-MSOLQXFVSA-N 1 0 366.421 2.286 20 5 FEBDRO COc1cc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000368578370 556351359 /nfs/dbraw/zinc/35/13/59/556351359.db2.gz MMWRKPAJUGVMEE-CYBMUJFWSA-N 1 0 362.386 2.351 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000369174841 556525231 /nfs/dbraw/zinc/52/52/31/556525231.db2.gz RTEVYPBSJSNWQG-UHFFFAOYSA-N 1 0 359.473 2.153 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000369188278 556530353 /nfs/dbraw/zinc/53/03/53/556530353.db2.gz LZHNFZONWCIIGK-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc2C1 ZINC000369490131 556610232 /nfs/dbraw/zinc/61/02/32/556610232.db2.gz NGIUFNFQYYFOIH-UHFFFAOYSA-N 1 0 369.425 2.013 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1[N+](=O)[O-] ZINC000369576454 556636020 /nfs/dbraw/zinc/63/60/20/556636020.db2.gz LUPABHWTMMKTLE-UHFFFAOYSA-N 1 0 358.402 2.300 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369657441 556661008 /nfs/dbraw/zinc/66/10/08/556661008.db2.gz BKOXKSQXZGNLGR-USXIJHARSA-N 1 0 374.441 2.229 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000369844776 556710833 /nfs/dbraw/zinc/71/08/33/556710833.db2.gz FQGOMMQAHXSWCS-XAYKYTGQSA-N 1 0 360.414 2.274 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000369844775 556710930 /nfs/dbraw/zinc/71/09/30/556710930.db2.gz FQGOMMQAHXSWCS-WRSAYESZSA-N 1 0 360.414 2.274 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928981 556733441 /nfs/dbraw/zinc/73/34/41/556733441.db2.gz GBAQPGZPIWEXGJ-HOCLYGCPSA-N 1 0 369.425 2.444 20 5 FEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000370201720 556809243 /nfs/dbraw/zinc/80/92/43/556809243.db2.gz NTALQGVGKLHOPB-IRXDYDNUSA-N 1 0 350.415 2.355 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3CO)o2)c(Cl)c1 ZINC000370401532 556861225 /nfs/dbraw/zinc/86/12/25/556861225.db2.gz YBXHQMZEXJWPLB-NEPJUHHUSA-N 1 0 352.774 2.436 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000516786118 562058044 /nfs/dbraw/zinc/05/80/44/562058044.db2.gz FTIJKQGZBLGOQC-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000516806599 562058766 /nfs/dbraw/zinc/05/87/66/562058766.db2.gz ZXDZDPGOCRBCAD-UHFFFAOYSA-N 1 0 372.473 2.378 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000370486200 556886802 /nfs/dbraw/zinc/88/68/02/556886802.db2.gz WMJCHYXZYKOINQ-UHFFFAOYSA-N 1 0 350.394 2.264 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000516858639 562061055 /nfs/dbraw/zinc/06/10/55/562061055.db2.gz RJDVDQABBGPHLE-HNNXBMFYSA-N 1 0 357.414 2.348 20 5 FEBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000516866702 562061463 /nfs/dbraw/zinc/06/14/63/562061463.db2.gz LWKGIWZNOKXOHY-JTQLQIEISA-N 1 0 369.365 2.409 20 5 FEBDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370603929 556919703 /nfs/dbraw/zinc/91/97/03/556919703.db2.gz WZWCOCPFIMXUPD-OAHLLOKOSA-N 1 0 355.822 2.316 20 5 FEBDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000516919666 562064695 /nfs/dbraw/zinc/06/46/95/562064695.db2.gz QCSIETHAJAXSOC-CQSZACIVSA-N 1 0 374.235 2.292 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370796780 556971829 /nfs/dbraw/zinc/97/18/29/556971829.db2.gz WBZCZHJOZZVEKC-AWEZNQCLSA-N 1 0 369.425 2.362 20 5 FEBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927375 557019096 /nfs/dbraw/zinc/01/90/96/557019096.db2.gz IASNJQHMQRMEPH-KDOFPFPSSA-N 1 0 371.441 2.450 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371243886 557117660 /nfs/dbraw/zinc/11/76/60/557117660.db2.gz LRKDOTRMCFOFOU-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371334602 557150730 /nfs/dbraw/zinc/15/07/30/557150730.db2.gz HAYGBLFNUHERLE-PBHICJAKSA-N 1 0 350.438 2.192 20 5 FEBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371352427 557156884 /nfs/dbraw/zinc/15/68/84/557156884.db2.gz XJSZCBDIEBBTMS-SWLSCSKDSA-N 1 0 353.854 2.105 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360887 557160558 /nfs/dbraw/zinc/16/05/58/557160558.db2.gz LDWVDLOJZCMZBC-RHSMWYFYSA-N 1 0 364.833 2.370 20 5 FEBDRO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000371491995 557198903 /nfs/dbraw/zinc/19/89/03/557198903.db2.gz ZRCAUQKUKJZWMS-KGLIPLIRSA-N 1 0 357.414 2.340 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)cc([N+](=O)[O-])c1 ZINC000517641441 562094560 /nfs/dbraw/zinc/09/45/60/562094560.db2.gz PEZLTKFIRDUVDS-HNNXBMFYSA-N 1 0 363.414 2.376 20 5 FEBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000518378553 562110091 /nfs/dbraw/zinc/11/00/91/562110091.db2.gz YQEAEWOUPJVDNT-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518853613 562119923 /nfs/dbraw/zinc/11/99/23/562119923.db2.gz UYCWTMLXXUSWFS-UPJWGTAASA-N 1 0 363.414 2.420 20 5 FEBDRO COc1cc(S(=O)(=O)N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000518978413 562122490 /nfs/dbraw/zinc/12/24/90/562122490.db2.gz PSKUPEYHRZKERY-UHFFFAOYSA-N 1 0 371.459 2.133 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000519148666 562125908 /nfs/dbraw/zinc/12/59/08/562125908.db2.gz SZJQDYRXNQSEED-AWEZNQCLSA-N 1 0 360.414 2.259 20 5 FEBDRO Cc1ccc(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000372413335 557464564 /nfs/dbraw/zinc/46/45/64/557464564.db2.gz KHJNDGPPUUWMRZ-UHFFFAOYSA-N 1 0 361.442 2.364 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000372725222 557548033 /nfs/dbraw/zinc/54/80/33/557548033.db2.gz HCZGYPZUYVNUGG-AEFFLSMTSA-N 1 0 357.410 2.457 20 5 FEBDRO Cn1cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373155702 557640388 /nfs/dbraw/zinc/64/03/88/557640388.db2.gz TUBQBWAECPDIDI-QFBILLFUSA-N 1 0 372.425 2.423 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373236760 557655961 /nfs/dbraw/zinc/65/59/61/557655961.db2.gz LAYIIPVPQAQYGW-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000520318399 562153459 /nfs/dbraw/zinc/15/34/59/562153459.db2.gz LXYQLMBVZWBDTF-ZDUSSCGKSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581453 557722150 /nfs/dbraw/zinc/72/21/50/557722150.db2.gz FDJKYXMLILNBLV-OAHLLOKOSA-N 1 0 373.413 2.466 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373757803 557752777 /nfs/dbraw/zinc/75/27/77/557752777.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 1 0 362.474 2.204 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000373762824 557753738 /nfs/dbraw/zinc/75/37/38/557753738.db2.gz YKQDRCHGHLRNQO-YJBOKZPZSA-N 1 0 362.474 2.061 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2c[nH]c3ncccc23)c1 ZINC000520569151 562159177 /nfs/dbraw/zinc/15/91/77/562159177.db2.gz VSZNPSVSDSJVAJ-HNNXBMFYSA-N 1 0 356.382 2.043 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000374175006 557837184 /nfs/dbraw/zinc/83/71/84/557837184.db2.gz JZHRPUSDPQHZQM-TUAOUCFPSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000374175005 557837280 /nfs/dbraw/zinc/83/72/80/557837280.db2.gz JZHRPUSDPQHZQM-SRVKXCTJSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374298385 557860688 /nfs/dbraw/zinc/86/06/88/557860688.db2.gz UNRHRELPUMPKIL-YJBOKZPZSA-N 1 0 360.458 2.001 20 5 FEBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609944 557906590 /nfs/dbraw/zinc/90/65/90/557906590.db2.gz HCQMKZQUFXNEIG-IRXDYDNUSA-N 1 0 360.414 2.306 20 5 FEBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374884404 557945711 /nfs/dbraw/zinc/94/57/11/557945711.db2.gz VFOWLQBCTZBJPA-GOEBONIOSA-N 1 0 366.425 2.960 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1SC ZINC000375066556 557972979 /nfs/dbraw/zinc/97/29/79/557972979.db2.gz RWPQNRNQCBVEQR-RISCZKNCSA-N 1 0 365.455 2.492 20 5 FEBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000375967804 558106938 /nfs/dbraw/zinc/10/69/38/558106938.db2.gz GCKKTGPWHVPQOA-MRXNPFEDSA-N 1 0 351.366 2.088 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CCCCO2)C1 ZINC000376468315 558176920 /nfs/dbraw/zinc/17/69/20/558176920.db2.gz JZQASFZADKDXBQ-CRAIPNDOSA-N 1 0 350.415 2.370 20 5 FEBDRO O=C(c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000521831908 562184478 /nfs/dbraw/zinc/18/44/78/562184478.db2.gz WTROBVWMAQJJNO-UHFFFAOYSA-N 1 0 355.394 2.357 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000376971117 558246374 /nfs/dbraw/zinc/24/63/74/558246374.db2.gz FVIBRDMQGJPABW-BLLLJJGKSA-N 1 0 350.394 2.089 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](NCc1ccccc1)c1ccco1 ZINC000521988634 562188231 /nfs/dbraw/zinc/18/82/31/562188231.db2.gz MGCGUGNXWONDRK-CQSZACIVSA-N 1 0 369.381 2.182 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378233046 558507474 /nfs/dbraw/zinc/50/74/74/558507474.db2.gz UJIANPCNINGHCR-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000378472082 558565067 /nfs/dbraw/zinc/56/50/67/558565067.db2.gz HOMGSCFASDIHOB-QIIPPGSGSA-N 1 0 360.414 2.356 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000378517770 558573451 /nfs/dbraw/zinc/57/34/51/558573451.db2.gz JRMJJXYMFVORSU-AWEZNQCLSA-N 1 0 367.413 2.493 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603877 558592336 /nfs/dbraw/zinc/59/23/36/558592336.db2.gz FDTZJOBXGXOLBF-GOEBONIOSA-N 1 0 371.441 2.311 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603879 558592498 /nfs/dbraw/zinc/59/24/98/558592498.db2.gz FDTZJOBXGXOLBF-ZBFHGGJFSA-N 1 0 371.441 2.311 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000411211565 558853854 /nfs/dbraw/zinc/85/38/54/558853854.db2.gz IGTFEKAMGUVCQT-AWEZNQCLSA-N 1 0 374.441 2.283 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254309 558861559 /nfs/dbraw/zinc/86/15/59/558861559.db2.gz FSYZIZXIFCPYSH-AWEZNQCLSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411317741 558875584 /nfs/dbraw/zinc/87/55/84/558875584.db2.gz PDBWZGFXSCDUDD-CZUORRHYSA-N 1 0 363.414 2.433 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000411403192 558888506 /nfs/dbraw/zinc/88/85/06/558888506.db2.gz VVFYAEHDYNFMIZ-HNNXBMFYSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000411416145 558890945 /nfs/dbraw/zinc/89/09/45/558890945.db2.gz HHPGIEUBRYUDKA-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO CC(=O)NC1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411509214 558907898 /nfs/dbraw/zinc/90/78/98/558907898.db2.gz CPZHDEBZHGGRFB-UHFFFAOYSA-N 1 0 362.430 2.303 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000411601522 558927123 /nfs/dbraw/zinc/92/71/23/558927123.db2.gz ANWBWWQSPNGFCT-AVGNSLFASA-N 1 0 351.403 2.430 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000411655728 558936999 /nfs/dbraw/zinc/93/69/99/558936999.db2.gz MKVMXJBOHHXSPV-DZGCQCFKSA-N 1 0 351.403 2.049 20 5 FEBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776767 558960512 /nfs/dbraw/zinc/96/05/12/558960512.db2.gz XOHSFVWOSFBBEQ-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833554 558972410 /nfs/dbraw/zinc/97/24/10/558972410.db2.gz JNDQDIPJTBRHGO-CQSZACIVSA-N 1 0 367.471 2.464 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1F ZINC000412125963 559015608 /nfs/dbraw/zinc/01/56/08/559015608.db2.gz DMZLDVWAGXGHEX-LLVKDONJSA-N 1 0 355.410 2.378 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1F ZINC000412122669 559015641 /nfs/dbraw/zinc/01/56/41/559015641.db2.gz GRMNLQBLRWLOEK-AAEUAGOBSA-N 1 0 353.394 2.084 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178817 559018567 /nfs/dbraw/zinc/01/85/67/559018567.db2.gz UBMUUUOSTWIBDG-AYOQOUSVSA-N 1 0 374.485 2.088 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000412282770 559024721 /nfs/dbraw/zinc/02/47/21/559024721.db2.gz BUUFTYWGBDMVNJ-DLBZAZTESA-N 1 0 369.425 2.800 20 5 FEBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)ccc1OCC[NH+](C)C ZINC000412415364 559034067 /nfs/dbraw/zinc/03/40/67/559034067.db2.gz JNMPGEBVCXOAKV-UHFFFAOYSA-N 1 0 360.370 2.197 20 5 FEBDRO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413527834 559114385 /nfs/dbraw/zinc/11/43/85/559114385.db2.gz BYJIHOVKGDPICU-CQSZACIVSA-N 1 0 354.410 2.404 20 5 FEBDRO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413527833 559114390 /nfs/dbraw/zinc/11/43/90/559114390.db2.gz BYJIHOVKGDPICU-AWEZNQCLSA-N 1 0 354.410 2.404 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC(C)(C)C[NH+]2CCCC2)c1F ZINC000413852819 559135071 /nfs/dbraw/zinc/13/50/71/559135071.db2.gz AWNWLQGUVKITCY-UHFFFAOYSA-N 1 0 353.394 2.276 20 5 FEBDRO CCOc1cc(NC(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OCC ZINC000414760042 559185937 /nfs/dbraw/zinc/18/59/37/559185937.db2.gz PTUUHDBBRCFCAZ-UHFFFAOYSA-N 1 0 352.391 2.395 20 5 FEBDRO COc1cc(CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414779466 559186982 /nfs/dbraw/zinc/18/69/82/559186982.db2.gz RGWMCBJBMJVVME-UHFFFAOYSA-N 1 0 363.336 2.466 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415595591 559253839 /nfs/dbraw/zinc/25/38/39/559253839.db2.gz HJYNQTPYUOUWPF-MFKMUULPSA-N 1 0 364.402 2.281 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415597523 559254084 /nfs/dbraw/zinc/25/40/84/559254084.db2.gz JIVZQBQMSWFIDY-VXGBXAGGSA-N 1 0 364.402 2.281 20 5 FEBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000415656049 559258619 /nfs/dbraw/zinc/25/86/19/559258619.db2.gz LAVVGQNIXIKXIW-SNVBAGLBSA-N 1 0 357.208 2.491 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415679076 559261148 /nfs/dbraw/zinc/26/11/48/559261148.db2.gz RGFGYVIYTJOJNL-CYBMUJFWSA-N 1 0 368.821 2.081 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415699617 559263265 /nfs/dbraw/zinc/26/32/65/559263265.db2.gz JRCNXVVRNFSOIZ-SECBINFHSA-N 1 0 357.208 2.478 20 5 FEBDRO COc1ccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC000415975974 559286494 /nfs/dbraw/zinc/28/64/94/559286494.db2.gz QFURNQWPRNWLRQ-UHFFFAOYSA-N 1 0 372.381 2.407 20 5 FEBDRO C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000416562373 559321894 /nfs/dbraw/zinc/32/18/94/559321894.db2.gz WGVNPECRHWQULR-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000417227154 559353950 /nfs/dbraw/zinc/35/39/50/559353950.db2.gz LLTGHZHAILWLJP-ZWKOTPCHSA-N 1 0 354.410 2.274 20 5 FEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417760908 559375481 /nfs/dbraw/zinc/37/54/81/559375481.db2.gz GPGINSITHHUBJI-UHFFFAOYSA-N 1 0 356.426 2.350 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417994393 559385610 /nfs/dbraw/zinc/38/56/10/559385610.db2.gz QWFQIIXQMYPDRD-QWHCGFSZSA-N 1 0 352.822 2.042 20 5 FEBDRO COC[C@]1(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC[NH2+]1 ZINC000418660005 559410188 /nfs/dbraw/zinc/41/01/88/559410188.db2.gz WOYCSWQUQWOKTO-GOSISDBHSA-N 1 0 362.430 2.037 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000419146142 559429914 /nfs/dbraw/zinc/42/99/14/559429914.db2.gz HWIUYSKCTAKPGO-CHWSQXEVSA-N 1 0 370.409 2.108 20 5 FEBDRO O=C1[C@@H](NC2CC[NH+](C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000419286858 559435229 /nfs/dbraw/zinc/43/52/29/559435229.db2.gz GAGJDCJGNJZYKT-SFHVURJKSA-N 1 0 358.442 2.307 20 5 FEBDRO CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000419391751 559440480 /nfs/dbraw/zinc/44/04/80/559440480.db2.gz RCMVNEUQHQKDAM-MRXNPFEDSA-N 1 0 351.447 2.141 20 5 FEBDRO [NH3+][C@@H]1Cc2ccccc2N([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420398720 559485305 /nfs/dbraw/zinc/48/53/05/559485305.db2.gz GZPRJMBUDAYCFB-KDOFPFPSSA-N 1 0 352.394 2.090 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467472 559489074 /nfs/dbraw/zinc/48/90/74/559489074.db2.gz SPLLGKLJQKHKSV-GFCCVEGCSA-N 1 0 355.441 2.197 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421015622 559519711 /nfs/dbraw/zinc/51/97/11/559519711.db2.gz LPSIPUUBCSTCPS-AWEZNQCLSA-N 1 0 363.414 2.377 20 5 FEBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000421369426 559540321 /nfs/dbraw/zinc/54/03/21/559540321.db2.gz BEOJWAGMMRAZHT-UONOGXRCSA-N 1 0 352.387 2.194 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000421796422 559553723 /nfs/dbraw/zinc/55/37/23/559553723.db2.gz OITLGLSLYGNTLB-AEFFLSMTSA-N 1 0 374.485 2.310 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423949454 559647780 /nfs/dbraw/zinc/64/77/80/559647780.db2.gz MHKQDNKETAMFRO-UHFFFAOYSA-N 1 0 374.485 2.466 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423950181 559647842 /nfs/dbraw/zinc/64/78/42/559647842.db2.gz HZNPDYUCJDGQPE-AWEZNQCLSA-N 1 0 355.460 2.326 20 5 FEBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000423951584 559647847 /nfs/dbraw/zinc/64/78/47/559647847.db2.gz KECOQIZQMTUFIJ-LBPRGKRZSA-N 1 0 358.236 2.389 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423960216 559648062 /nfs/dbraw/zinc/64/80/62/559648062.db2.gz CLHNWIYDFNFGCG-RDTXWAMCSA-N 1 0 369.425 2.385 20 5 FEBDRO [NH3+][C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000424333735 559661506 /nfs/dbraw/zinc/66/15/06/559661506.db2.gz MSCUTQDUFCZBFA-DGCLKSJQSA-N 1 0 371.235 2.155 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000424443115 559665123 /nfs/dbraw/zinc/66/51/23/559665123.db2.gz BGALYVWXKJVIOU-ZDUSSCGKSA-N 1 0 370.409 2.486 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000424996062 559682705 /nfs/dbraw/zinc/68/27/05/559682705.db2.gz CMVKRCZLGUQQFY-UHFFFAOYSA-N 1 0 360.414 2.259 20 5 FEBDRO NC(=O)c1cccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272634 559694273 /nfs/dbraw/zinc/69/42/73/559694273.db2.gz HDLDQWRDZSIBMN-MAUKXSAKSA-N 1 0 366.421 2.404 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000425290460 559694880 /nfs/dbraw/zinc/69/48/80/559694880.db2.gz XOHVZGOOMNDKSX-KBXCAEBGSA-N 1 0 358.442 2.361 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466914 559703742 /nfs/dbraw/zinc/70/37/42/559703742.db2.gz CFMALGVAUZBHDG-NWDGAFQWSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425498540 559705810 /nfs/dbraw/zinc/70/58/10/559705810.db2.gz GQMCEFPCKXYXAK-OAHLLOKOSA-N 1 0 358.402 2.160 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425504912 559706386 /nfs/dbraw/zinc/70/63/86/559706386.db2.gz XQAHCRWCBLKZHE-HNNXBMFYSA-N 1 0 358.402 2.160 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426405260 559734056 /nfs/dbraw/zinc/73/40/56/559734056.db2.gz QHEVQLOVGOUCPF-QGZVFWFLSA-N 1 0 363.458 2.081 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[nH]2)CC1 ZINC000428318596 559773357 /nfs/dbraw/zinc/77/33/57/559773357.db2.gz LZWOWQNUMXHILY-UHFFFAOYSA-N 1 0 368.397 2.792 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000429147798 559791753 /nfs/dbraw/zinc/79/17/53/559791753.db2.gz BMUAWDNEMYTVGZ-SJKOYZFVSA-N 1 0 371.441 2.266 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCCC[NH+]1CCOCC1 ZINC000429196409 559792802 /nfs/dbraw/zinc/79/28/02/559792802.db2.gz GHJJLSOOHFQFQS-UHFFFAOYSA-N 1 0 351.403 2.214 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429774798 559805299 /nfs/dbraw/zinc/80/52/99/559805299.db2.gz VAQZHRJAQZAXHD-GDLCADMTSA-N 1 0 359.386 2.210 20 5 FEBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773059 559827902 /nfs/dbraw/zinc/82/79/02/559827902.db2.gz PUTCVQHZZRENLY-CWRNSKLLSA-N 1 0 361.446 2.300 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000431421731 559838893 /nfs/dbraw/zinc/83/88/93/559838893.db2.gz MMYVAHWOUKRVCC-LLVKDONJSA-N 1 0 361.240 2.257 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180027 559853607 /nfs/dbraw/zinc/85/36/07/559853607.db2.gz TXRJDOXHQGUFOZ-DZGCQCFKSA-N 1 0 372.425 2.320 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432316091 559856087 /nfs/dbraw/zinc/85/60/87/559856087.db2.gz UOTQWHKIBKIOTF-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000432487892 559859612 /nfs/dbraw/zinc/85/96/12/559859612.db2.gz BBAWJHCQKZGLNS-UHFFFAOYSA-N 1 0 358.398 2.076 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433061224 559870833 /nfs/dbraw/zinc/87/08/33/559870833.db2.gz OKDGDFCVYXHTFP-RDTXWAMCSA-N 1 0 357.410 2.457 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433293706 559876010 /nfs/dbraw/zinc/87/60/10/559876010.db2.gz HDDOCLWQMASEFK-SFHVURJKSA-N 1 0 357.410 2.250 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433323234 559877092 /nfs/dbraw/zinc/87/70/92/559877092.db2.gz VPLNLHVAYXRDJN-BBRMVZONSA-N 1 0 350.806 2.295 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000436441390 559941659 /nfs/dbraw/zinc/94/16/59/559941659.db2.gz YBOHVJDNMIOTHS-CVEARBPZSA-N 1 0 365.455 2.397 20 5 FEBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000438530837 559980174 /nfs/dbraw/zinc/98/01/74/559980174.db2.gz BXXZKAIHJWOCHN-UHFFFAOYSA-N 1 0 358.398 2.122 20 5 FEBDRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000438883641 559985081 /nfs/dbraw/zinc/98/50/81/559985081.db2.gz CZJWGDAQKGPTNT-KRWDZBQOSA-N 1 0 352.394 2.305 20 5 FEBDRO NC(=O)c1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439094122 559988387 /nfs/dbraw/zinc/98/83/87/559988387.db2.gz IGBSFSRDPUWESD-UHFFFAOYSA-N 1 0 354.410 2.058 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000440079753 560004360 /nfs/dbraw/zinc/00/43/60/560004360.db2.gz PHCIBNFWRKFEEV-QGZVFWFLSA-N 1 0 371.503 2.423 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000440525765 560013757 /nfs/dbraw/zinc/01/37/57/560013757.db2.gz WDHQVYFLZKGBRR-KRWDZBQOSA-N 1 0 361.423 2.023 20 5 FEBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000441626159 560036477 /nfs/dbraw/zinc/03/64/77/560036477.db2.gz XCRUZACBWFVMOR-CHWSQXEVSA-N 1 0 357.414 2.488 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000446245729 560142550 /nfs/dbraw/zinc/14/25/50/560142550.db2.gz SKZJAAGPFRCYIM-UHFFFAOYSA-N 1 0 368.865 2.312 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446318431 560144247 /nfs/dbraw/zinc/14/42/47/560144247.db2.gz BVUXIVKRBFURRF-MDZRGWNJSA-N 1 0 359.426 2.012 20 5 FEBDRO CC(C)(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 ZINC000447441308 560162432 /nfs/dbraw/zinc/16/24/32/560162432.db2.gz MWLXCBWTTPYFFP-KRWDZBQOSA-N 1 0 367.409 2.496 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447801918 560169391 /nfs/dbraw/zinc/16/93/91/560169391.db2.gz FRYARPOKRCINQW-QGZVFWFLSA-N 1 0 362.474 2.348 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000447807447 560169606 /nfs/dbraw/zinc/16/96/06/560169606.db2.gz ROBVXLRIEMPJGV-IAGOWNOFSA-N 1 0 360.458 2.466 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000447814800 560169905 /nfs/dbraw/zinc/16/99/05/560169905.db2.gz BPWUPCQVQHOTMI-LLVKDONJSA-N 1 0 370.837 2.083 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448032186 560176332 /nfs/dbraw/zinc/17/63/32/560176332.db2.gz UQYPHTCYPFQTCQ-MRXNPFEDSA-N 1 0 363.462 2.426 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000449110582 560216096 /nfs/dbraw/zinc/21/60/96/560216096.db2.gz DZVXJCUYNWPTFN-MAUKXSAKSA-N 1 0 362.474 2.058 20 5 FEBDRO Cn1cc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449641707 560235336 /nfs/dbraw/zinc/23/53/36/560235336.db2.gz DRPGGYYHWPWLLM-TZMCWYRMSA-N 1 0 357.414 2.243 20 5 FEBDRO Cc1nccn1CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449934323 560245602 /nfs/dbraw/zinc/24/56/02/560245602.db2.gz JDCWQIVBTNPTCA-UHFFFAOYSA-N 1 0 368.397 2.496 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449992144 560247570 /nfs/dbraw/zinc/24/75/70/560247570.db2.gz WVGXXNJEHWHJOK-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000450149180 560252258 /nfs/dbraw/zinc/25/22/58/560252258.db2.gz VETJWJJDDHSVTR-SJCJKPOMSA-N 1 0 357.414 2.443 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN1CCC([NH+](C)C)CC1 ZINC000450369393 560260297 /nfs/dbraw/zinc/26/02/97/560260297.db2.gz OXAWZYNEZMGJNK-UHFFFAOYSA-N 1 0 373.457 2.011 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCC[N@H+]3CCCO)n2)cc1 ZINC000450596690 560267517 /nfs/dbraw/zinc/26/75/17/560267517.db2.gz NSYDJOSCNRUXNX-OAHLLOKOSA-N 1 0 362.455 2.977 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000451105881 560287442 /nfs/dbraw/zinc/28/74/42/560287442.db2.gz NZHIFFYQVNVXMY-HNNXBMFYSA-N 1 0 368.437 2.424 20 5 FEBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142691 560289414 /nfs/dbraw/zinc/28/94/14/560289414.db2.gz GMYBTTQMZZLXLE-SRRSOLGSSA-N 1 0 350.341 2.204 20 5 FEBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000451366077 560302729 /nfs/dbraw/zinc/30/27/29/560302729.db2.gz ZHPPZYXMKOXZIB-SECBINFHSA-N 1 0 374.235 2.387 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418401 560305729 /nfs/dbraw/zinc/30/57/29/560305729.db2.gz MREYVOWRINWJGW-IMJJTQAJSA-N 1 0 363.414 2.167 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]21 ZINC000451480821 560309542 /nfs/dbraw/zinc/30/95/42/560309542.db2.gz RGBSKUMGLHFNGH-ZTFGCOKTSA-N 1 0 359.426 2.277 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451483940 560309720 /nfs/dbraw/zinc/30/97/20/560309720.db2.gz YVRPRORTBARDDR-VUCTXSBTSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451499583 560310600 /nfs/dbraw/zinc/31/06/00/560310600.db2.gz MCCVPBUGMLYZTC-JQAFLVLXSA-N 1 0 351.403 2.191 20 5 FEBDRO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549630 560314073 /nfs/dbraw/zinc/31/40/73/560314073.db2.gz PTJLHMAHDHFRHT-YXJHDRRASA-N 1 0 352.431 2.187 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451558327 560314654 /nfs/dbraw/zinc/31/46/54/560314654.db2.gz GAGQYCWNIRRBLW-DOMZBBRYSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000451598125 560316788 /nfs/dbraw/zinc/31/67/88/560316788.db2.gz NZBFHCYWRSPRFH-KSSFIOAISA-N 1 0 367.446 2.421 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000452343888 560358801 /nfs/dbraw/zinc/35/88/01/560358801.db2.gz MCKYVHCCSKNRAR-HNNXBMFYSA-N 1 0 351.451 2.117 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452785122 560373928 /nfs/dbraw/zinc/37/39/28/560373928.db2.gz QPBNUFRQWBDBDR-HNNXBMFYSA-N 1 0 363.458 2.469 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273285 560385073 /nfs/dbraw/zinc/38/50/73/560385073.db2.gz VOVSCFCLZKNKDG-ZBFHGGJFSA-N 1 0 351.447 2.491 20 5 FEBDRO CNc1nc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455125372 560471027 /nfs/dbraw/zinc/47/10/27/560471027.db2.gz KXFNORAPPSEMOI-UHFFFAOYSA-N 1 0 361.446 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455251770 560475617 /nfs/dbraw/zinc/47/56/17/560475617.db2.gz TWHAVAJDLOYXNT-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000456054604 560505541 /nfs/dbraw/zinc/50/55/41/560505541.db2.gz LEWPMILQWMHZHQ-OAHLLOKOSA-N 1 0 373.413 2.073 20 5 FEBDRO Cc1c(C(=O)NC(C)(C)CCC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000456200662 560510852 /nfs/dbraw/zinc/51/08/52/560510852.db2.gz LPFIHFLKCMJAIV-UHFFFAOYSA-N 1 0 374.445 2.334 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000456551606 560524149 /nfs/dbraw/zinc/52/41/49/560524149.db2.gz LZCJPYPYIFIAND-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000457117836 560550402 /nfs/dbraw/zinc/55/04/02/560550402.db2.gz GIIRNLCDQDMTTJ-UHFFFAOYSA-N 1 0 369.425 2.014 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000458166697 560606426 /nfs/dbraw/zinc/60/64/26/560606426.db2.gz LZUOXMISFNFDQE-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO CNc1nc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458224118 560610041 /nfs/dbraw/zinc/61/00/41/560610041.db2.gz ZCFDFVNVIQXJOK-UHFFFAOYSA-N 1 0 363.443 2.297 20 5 FEBDRO C[N@H+](CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000459148672 560670187 /nfs/dbraw/zinc/67/01/87/560670187.db2.gz GBMOOQPEEZVXBQ-UHFFFAOYSA-N 1 0 362.430 2.242 20 5 FEBDRO CCCN(CC[NH+](CC)CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000460899616 560754922 /nfs/dbraw/zinc/75/49/22/560754922.db2.gz BADBHTSWZFRWSO-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000466744717 560894295 /nfs/dbraw/zinc/89/42/95/560894295.db2.gz GAVLVTLFABWBKG-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000467795989 560917538 /nfs/dbraw/zinc/91/75/38/560917538.db2.gz PBJMBAOYAILQKB-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000467799827 560917633 /nfs/dbraw/zinc/91/76/33/560917633.db2.gz QSEDWPKNKKMPGA-ZDUSSCGKSA-N 1 0 371.434 2.086 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000468477730 560930898 /nfs/dbraw/zinc/93/08/98/560930898.db2.gz FAEXKORFPXRQTA-MRXNPFEDSA-N 1 0 372.429 2.026 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000468617735 560934198 /nfs/dbraw/zinc/93/41/98/560934198.db2.gz JAYMTWOXAGAIIB-RCBBPTIPSA-N 1 0 353.444 2.012 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470139853 560975196 /nfs/dbraw/zinc/97/51/96/560975196.db2.gz BMCXHHHMMDDLJQ-CQSZACIVSA-N 1 0 354.382 2.092 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000472264217 561022104 /nfs/dbraw/zinc/02/21/04/561022104.db2.gz WDEGEVGQHXDCSB-INIZCTEOSA-N 1 0 372.469 2.148 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472689884 561033159 /nfs/dbraw/zinc/03/31/59/561033159.db2.gz BNGMLFRXDLUTCC-UHFFFAOYSA-N 1 0 366.393 2.007 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CO)c1ccsc1 ZINC000473167778 561043396 /nfs/dbraw/zinc/04/33/96/561043396.db2.gz SRXXNFFSWQQVBO-AWEZNQCLSA-N 1 0 365.411 2.317 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000473956469 561062177 /nfs/dbraw/zinc/06/21/77/561062177.db2.gz MHIIBEWJRKSQNI-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000474001003 561063169 /nfs/dbraw/zinc/06/31/69/561063169.db2.gz OWPJGPYJEFLQAM-GXTWGEPZSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000474343914 561071677 /nfs/dbraw/zinc/07/16/77/561071677.db2.gz FSBXZYGRNCWQLH-LBPRGKRZSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000474358009 561071967 /nfs/dbraw/zinc/07/19/67/561071967.db2.gz VZJNNGDEHLIQLW-WMZOPIPTSA-N 1 0 366.414 2.177 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1[N+](=O)[O-] ZINC000474357186 561072031 /nfs/dbraw/zinc/07/20/31/561072031.db2.gz PXLPYFCXZRSOAG-OAHLLOKOSA-N 1 0 372.377 2.240 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1[N+](=O)[O-] ZINC000474381145 561072706 /nfs/dbraw/zinc/07/27/06/561072706.db2.gz VBZBPSRWGPQYPS-LZWOXQAQSA-N 1 0 364.398 2.194 20 5 FEBDRO COc1c(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469671 561120280 /nfs/dbraw/zinc/12/02/80/561120280.db2.gz WEXMDUVAHJUGSK-JKSUJKDBSA-N 1 0 355.394 2.431 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000477006947 561134162 /nfs/dbraw/zinc/13/41/62/561134162.db2.gz BACXNSBDZKPGOM-NHYWBVRUSA-N 1 0 363.443 2.203 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530520895 562414390 /nfs/dbraw/zinc/41/43/90/562414390.db2.gz GMXIPGZLAPEBNJ-UHFFFAOYSA-N 1 0 363.414 2.314 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000530827895 562425445 /nfs/dbraw/zinc/42/54/45/562425445.db2.gz WQQXHUQOQJSDEQ-OAHLLOKOSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530830669 562425556 /nfs/dbraw/zinc/42/55/56/562425556.db2.gz RZGXQQRAUJFMPP-AWEZNQCLSA-N 1 0 365.821 2.172 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCNc1cc[nH+]cc1 ZINC000533816334 562519025 /nfs/dbraw/zinc/51/90/25/562519025.db2.gz TVIHIXWDSQMUPI-UHFFFAOYSA-N 1 0 357.414 2.146 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000535082411 562550741 /nfs/dbraw/zinc/55/07/41/562550741.db2.gz VDFVSQFTLSEELJ-UHFFFAOYSA-N 1 0 362.430 2.243 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000535740743 562566233 /nfs/dbraw/zinc/56/62/33/562566233.db2.gz YBCKUMPMRBMVON-KGLIPLIRSA-N 1 0 350.419 2.098 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000537046152 562584709 /nfs/dbraw/zinc/58/47/09/562584709.db2.gz UJFVWVZZCLYBSB-HUUCEWRRSA-N 1 0 364.446 2.312 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000541166450 562604818 /nfs/dbraw/zinc/60/48/18/562604818.db2.gz MHQKJDIFHSRRSB-UHFFFAOYSA-N 1 0 351.451 2.152 20 5 FEBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602783 562616211 /nfs/dbraw/zinc/61/62/11/562616211.db2.gz XBYMZSJXFCCGET-DOTOQJQBSA-N 1 0 362.430 2.426 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000541814249 562620296 /nfs/dbraw/zinc/62/02/96/562620296.db2.gz DNTUULLVSCPGPY-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000546180579 562634763 /nfs/dbraw/zinc/63/47/63/562634763.db2.gz FBNKYIHTGIANNZ-UHFFFAOYSA-N 1 0 350.419 2.294 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1=O ZINC000546192637 562634917 /nfs/dbraw/zinc/63/49/17/562634917.db2.gz NTSDHJWUPROORY-UHFFFAOYSA-N 1 0 369.381 2.052 20 5 FEBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602633893 568001695 /nfs/dbraw/zinc/00/16/95/568001695.db2.gz KEFZUIYNTWTCOX-UHFFFAOYSA-N 1 0 369.487 2.320 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000568926033 568253064 /nfs/dbraw/zinc/25/30/64/568253064.db2.gz QXFTYAKRLGASJR-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1ccc(OCC[NH2+][C@H](CO)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000541981159 568275278 /nfs/dbraw/zinc/27/52/78/568275278.db2.gz RPIRJLJXVFOLQF-OAHLLOKOSA-N 1 0 362.382 2.314 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569111682 568277904 /nfs/dbraw/zinc/27/79/04/568277904.db2.gz WBCNUSPCFGMADY-UONOGXRCSA-N 1 0 362.430 2.160 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000569233036 568316324 /nfs/dbraw/zinc/31/63/24/568316324.db2.gz ULZILEYKQAIPOC-KGYLQXTDSA-N 1 0 350.341 2.111 20 5 FEBDRO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000569266560 568323204 /nfs/dbraw/zinc/32/32/04/568323204.db2.gz WZNFJNUVYPRRDK-ZDUSSCGKSA-N 1 0 371.441 2.402 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923903 568678287 /nfs/dbraw/zinc/67/82/87/568678287.db2.gz XYJPRBFNGMIRNS-GOEBONIOSA-N 1 0 367.471 2.262 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000570925098 568718395 /nfs/dbraw/zinc/71/83/95/568718395.db2.gz CGYMMNKNEFJXQV-SUYBPPKGSA-N 1 0 367.833 2.397 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000556925376 674428169 /nfs/dbraw/zinc/42/81/69/674428169.db2.gz RSQCPRCMSGNCFH-WBVHZDCISA-N 1 0 367.471 2.376 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820419214 599361967 /nfs/dbraw/zinc/36/19/67/599361967.db2.gz FTIRWJUNDKXKIT-BDJLRTHQSA-N 1 0 354.370 2.159 20 5 FEBDRO CCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000557849096 674470750 /nfs/dbraw/zinc/47/07/50/674470750.db2.gz HYQHFAQRRHEOIN-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917924 674519399 /nfs/dbraw/zinc/51/93/99/674519399.db2.gz OQJODTZNLCXWES-LLVKDONJSA-N 1 0 355.826 2.006 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913725 674519408 /nfs/dbraw/zinc/51/94/08/674519408.db2.gz AKHBWMHQZSQITG-LLVKDONJSA-N 1 0 358.826 2.463 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810091512 674531229 /nfs/dbraw/zinc/53/12/29/674531229.db2.gz YWICKBNYMHNGBX-SECBINFHSA-N 1 0 367.830 2.394 20 5 FEBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820087295 606187621 /nfs/dbraw/zinc/18/76/21/606187621.db2.gz OWZZSMZOANTYPF-UHFFFAOYSA-N 1 0 370.417 2.130 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000810116978 674533221 /nfs/dbraw/zinc/53/32/21/674533221.db2.gz GJXMNWBPOMEFHK-GFCCVEGCSA-N 1 0 361.439 2.441 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810180553 674535699 /nfs/dbraw/zinc/53/56/99/674535699.db2.gz BCHIXGXOTHAGSC-KRWDZBQOSA-N 1 0 353.394 2.432 20 5 FEBDRO COc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810182566 674535718 /nfs/dbraw/zinc/53/57/18/674535718.db2.gz WHVDWCKSIBAWFE-QGZVFWFLSA-N 1 0 353.394 2.432 20 5 FEBDRO COc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000559292186 674536277 /nfs/dbraw/zinc/53/62/77/674536277.db2.gz MVCWQJPKBJOABJ-AWEZNQCLSA-N 1 0 350.346 2.272 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820703861 607168772 /nfs/dbraw/zinc/16/87/72/607168772.db2.gz KHRJDGANSLLAES-LBPRGKRZSA-N 1 0 360.422 2.236 20 5 FEBDRO C[C@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824669551 609316554 /nfs/dbraw/zinc/31/65/54/609316554.db2.gz DZQFKIQQXZQMGV-NWDGAFQWSA-N 1 0 372.433 2.235 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1=CC[N@H+](C)CC1 ZINC000561359639 674660246 /nfs/dbraw/zinc/66/02/46/674660246.db2.gz BMPIMCWADSELJS-NSHDSACASA-N 1 0 353.806 2.394 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000561693094 674691075 /nfs/dbraw/zinc/69/10/75/674691075.db2.gz SPMYBCICLSJAGC-JTQLQIEISA-N 1 0 361.240 2.257 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000563437221 674888115 /nfs/dbraw/zinc/88/81/15/674888115.db2.gz WGQHHNBXUOZKAL-LBPRGKRZSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022298 674899745 /nfs/dbraw/zinc/89/97/45/674899745.db2.gz NVTFZHXSRODAEY-VIFPVBQESA-N 1 0 365.814 2.007 20 5 FEBDRO COc1cc(C(=O)N(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000564650721 675047872 /nfs/dbraw/zinc/04/78/72/675047872.db2.gz AWUJOZMSYSLTTO-UHFFFAOYSA-N 1 0 359.329 2.158 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000565237496 675104701 /nfs/dbraw/zinc/10/47/01/675104701.db2.gz RJJPIUHPVNDLJP-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000065977961 670436029 /nfs/dbraw/zinc/43/60/29/670436029.db2.gz MFWTXPNSWSQZLM-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067271332 670456298 /nfs/dbraw/zinc/45/62/98/670456298.db2.gz XTKFXRAYPVMICK-LBPRGKRZSA-N 1 0 350.375 2.353 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000069119733 670481058 /nfs/dbraw/zinc/48/10/58/670481058.db2.gz RAUKQPKEIONFQZ-UHFFFAOYSA-N 1 0 353.394 2.493 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000572091449 670959788 /nfs/dbraw/zinc/95/97/88/670959788.db2.gz WRVIOPFXTWSLMX-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CSC1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000572331802 670988069 /nfs/dbraw/zinc/98/80/69/670988069.db2.gz SNSAOIDEYMCGIS-UHFFFAOYSA-N 1 0 352.460 2.221 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401824 670997703 /nfs/dbraw/zinc/99/77/03/670997703.db2.gz JQZUQZCVDGNREO-KGLIPLIRSA-N 1 0 367.471 2.450 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000572882681 671056106 /nfs/dbraw/zinc/05/61/06/671056106.db2.gz NBFZSQXDXPKZHD-SRVKXCTJSA-N 1 0 353.806 2.083 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc(Cl)c2Cl)c1 ZINC000573473462 671127434 /nfs/dbraw/zinc/12/74/34/671127434.db2.gz RSLAYHQMJLDBHU-GFCCVEGCSA-N 1 0 359.213 2.291 20 5 FEBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000566102121 675180743 /nfs/dbraw/zinc/18/07/43/675180743.db2.gz NPLALNOUUJGIAA-ZDMBXUJBSA-N 1 0 356.220 2.474 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566112254 675182093 /nfs/dbraw/zinc/18/20/93/675182093.db2.gz LTBKTBRSQMFSEF-DAYGRLMNSA-N 1 0 352.431 2.375 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000817880521 675184761 /nfs/dbraw/zinc/18/47/61/675184761.db2.gz XUXMHANAKPGYNO-IJLUTSLNSA-N 1 0 354.838 2.492 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1SC ZINC000577705682 671614527 /nfs/dbraw/zinc/61/45/27/671614527.db2.gz KWKSHRDSFICBRG-AWEZNQCLSA-N 1 0 353.444 2.443 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609619908 675929214 /nfs/dbraw/zinc/92/92/14/675929214.db2.gz ZKLGPDRZFMRAJD-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578906210 671697822 /nfs/dbraw/zinc/69/78/22/671697822.db2.gz LGEDPRCSJQWJHD-APHBMKBZSA-N 1 0 367.471 2.280 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000579108526 671712810 /nfs/dbraw/zinc/71/28/10/671712810.db2.gz FMFZYWJYASWUBO-UHFFFAOYSA-N 1 0 367.471 2.312 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000579703312 671754236 /nfs/dbraw/zinc/75/42/36/671754236.db2.gz IPPNZXWDZICYHD-GMXVVIOVSA-N 1 0 350.341 2.111 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1O ZINC000580090006 671782611 /nfs/dbraw/zinc/78/26/11/671782611.db2.gz HXDPFHDFDVWSRU-NEPJUHHUSA-N 1 0 372.219 2.045 20 5 FEBDRO CC[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Oc1cccc(Cl)c1 ZINC000580769567 671831261 /nfs/dbraw/zinc/83/12/61/671831261.db2.gz VYUGTVJVAUZWPF-CABCVRRESA-N 1 0 368.821 2.253 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000580774041 671832117 /nfs/dbraw/zinc/83/21/17/671832117.db2.gz LQEVIYUUSSCZRK-HOTGVXAUSA-N 1 0 352.431 2.113 20 5 FEBDRO C[NH+](C)CCN(C1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124437491 671997689 /nfs/dbraw/zinc/99/76/89/671997689.db2.gz XOJDCMUENUHTNV-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO CCOCCN1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000124700496 672000894 /nfs/dbraw/zinc/00/08/94/672000894.db2.gz MRNYCWBNJZFWKA-UHFFFAOYSA-N 1 0 371.821 2.193 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000582959769 672049534 /nfs/dbraw/zinc/04/95/34/672049534.db2.gz MRVDWOKGFXQAGG-SKDRFNHKSA-N 1 0 373.196 2.182 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC(F)F ZINC000610514556 675977338 /nfs/dbraw/zinc/97/73/38/675977338.db2.gz VANOLYCPZYLEJE-ZDUSSCGKSA-N 1 0 357.357 2.497 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000129935296 672068393 /nfs/dbraw/zinc/06/83/93/672068393.db2.gz JMHSANIPGWOSTA-UHFFFAOYSA-N 1 0 350.375 2.353 20 5 FEBDRO C[C@H]1C[NH+](CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000610542494 675979054 /nfs/dbraw/zinc/97/90/54/675979054.db2.gz ZYWIVHAAEBOVFC-KBPBESRZSA-N 1 0 351.451 2.044 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137062085 672140746 /nfs/dbraw/zinc/14/07/46/672140746.db2.gz QJCCWDMMKOYZHW-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000610668416 675987842 /nfs/dbraw/zinc/98/78/42/675987842.db2.gz YUKLRCHRYBBQSN-NSHDSACASA-N 1 0 370.247 2.310 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000585698701 672225802 /nfs/dbraw/zinc/22/58/02/672225802.db2.gz PHKWCKNALJGPSR-JTQLQIEISA-N 1 0 356.220 2.490 20 5 FEBDRO C[C@H](Cc1cccs1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000610805413 675998289 /nfs/dbraw/zinc/99/82/89/675998289.db2.gz MTLVSGUGXCVROM-GFCCVEGCSA-N 1 0 369.468 2.155 20 5 FEBDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000588973894 672497222 /nfs/dbraw/zinc/49/72/22/672497222.db2.gz KHANMDCOTNFHLF-CQSZACIVSA-N 1 0 369.487 2.477 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591967 672594545 /nfs/dbraw/zinc/59/45/45/672594545.db2.gz WIMATIBBKHIKRV-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000590752642 672610700 /nfs/dbraw/zinc/61/07/00/672610700.db2.gz PHCUJCWMCFJTCN-PWSUYJOCSA-N 1 0 355.778 2.118 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591587295 672692160 /nfs/dbraw/zinc/69/21/60/672692160.db2.gz DIFNGRQQMVGKTL-HIFRSBDPSA-N 1 0 365.817 2.089 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000591686018 672701639 /nfs/dbraw/zinc/70/16/39/672701639.db2.gz LNPICKQSSZARFW-YGRLFVJLSA-N 1 0 353.806 2.274 20 5 FEBDRO CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000591955641 672726049 /nfs/dbraw/zinc/72/60/49/672726049.db2.gz LSPNVEPOJPSNCQ-OAHLLOKOSA-N 1 0 350.419 2.099 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189361 672769570 /nfs/dbraw/zinc/76/95/70/672769570.db2.gz SWYHWLRHSINTRA-GDBMZVCRSA-N 1 0 350.415 2.368 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)c([N+](=O)[O-])cc1OC ZINC000592331004 672788417 /nfs/dbraw/zinc/78/84/17/672788417.db2.gz GHUVLQDFSQXIDG-DGCLKSJQSA-N 1 0 351.403 2.202 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592375401 672794071 /nfs/dbraw/zinc/79/40/71/672794071.db2.gz RNVXILXSJOQVOD-ZBFHGGJFSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390578 672796702 /nfs/dbraw/zinc/79/67/02/672796702.db2.gz KPULIPKEFAKRAF-CABCVRRESA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592390812 672796803 /nfs/dbraw/zinc/79/68/03/672796803.db2.gz PLIRYJRWDQQEQA-STQMWFEESA-N 1 0 371.434 2.134 20 5 FEBDRO C[C@@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000592432551 672801804 /nfs/dbraw/zinc/80/18/04/672801804.db2.gz QOGQEZSWHIVOPC-AWEZNQCLSA-N 1 0 370.471 2.147 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CCO2 ZINC000592898040 672852312 /nfs/dbraw/zinc/85/23/12/672852312.db2.gz ALUIZSMNYFFIFL-UHFFFAOYSA-N 1 0 367.833 2.114 20 5 FEBDRO COC(=O)CC1([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CCCC1 ZINC000593029761 672865397 /nfs/dbraw/zinc/86/53/97/672865397.db2.gz WEERRJNXMQITNO-UHFFFAOYSA-N 1 0 350.371 2.347 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593729587 672983503 /nfs/dbraw/zinc/98/35/03/672983503.db2.gz GMZZYCAVIGCVTK-UHFFFAOYSA-N 1 0 367.402 2.234 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000593731160 672984413 /nfs/dbraw/zinc/98/44/13/672984413.db2.gz AJIQJGOBYJYURA-OCCSQVGLSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733745 672984813 /nfs/dbraw/zinc/98/48/13/672984813.db2.gz ITTGZJOCJDLPRQ-RISCZKNCSA-N 1 0 355.460 2.350 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000593911581 673007372 /nfs/dbraw/zinc/00/73/72/673007372.db2.gz GYMYVGAPUJHMEJ-KFNAQCHYSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1cc(C(=O)NCCC2(C[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000593915383 673007620 /nfs/dbraw/zinc/00/76/20/673007620.db2.gz WKLTZLRZUMKJCY-UHFFFAOYSA-N 1 0 359.329 2.064 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484774 673088455 /nfs/dbraw/zinc/08/84/55/673088455.db2.gz UJGOKUYLECJVGC-GJZGRUSLSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484776 673088576 /nfs/dbraw/zinc/08/85/76/673088576.db2.gz UJGOKUYLECJVGC-HUUCEWRRSA-N 1 0 353.444 2.198 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000725892799 673095930 /nfs/dbraw/zinc/09/59/30/673095930.db2.gz MSMJPXNXYDLXKW-LBPRGKRZSA-N 1 0 350.375 2.273 20 5 FEBDRO COc1c(C)cccc1CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594577321 673101327 /nfs/dbraw/zinc/10/13/27/673101327.db2.gz LQOFOKJFHHWRTR-UHFFFAOYSA-N 1 0 364.423 2.475 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594801453 673147868 /nfs/dbraw/zinc/14/78/68/673147868.db2.gz ONPRQXARGKALNB-SNVBAGLBSA-N 1 0 361.851 2.399 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000594854180 673165234 /nfs/dbraw/zinc/16/52/34/673165234.db2.gz FHIKZJCEJLXZMT-GFCCVEGCSA-N 1 0 371.434 2.419 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000595008805 673185940 /nfs/dbraw/zinc/18/59/40/673185940.db2.gz TVNJOILYSASZDY-OWCLPIDISA-N 1 0 367.471 2.287 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595112451 673194859 /nfs/dbraw/zinc/19/48/59/673194859.db2.gz ASSKEYIGOCZUGX-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000595116563 673196211 /nfs/dbraw/zinc/19/62/11/673196211.db2.gz SKXCQYISUHSPGD-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595119339 673196924 /nfs/dbraw/zinc/19/69/24/673196924.db2.gz GSDFTVJWNYVHED-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000595381455 673238671 /nfs/dbraw/zinc/23/86/71/673238671.db2.gz LNYNYYOBOUFBAZ-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000595409195 673245482 /nfs/dbraw/zinc/24/54/82/673245482.db2.gz BDRRZRMGHBPMMC-CYBMUJFWSA-N 1 0 371.434 2.134 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595413139 673246451 /nfs/dbraw/zinc/24/64/51/673246451.db2.gz YDRGNKINLUJECH-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+]C2(CCO)CCCC2)c([N+](=O)[O-])c1 ZINC000595509798 673259343 /nfs/dbraw/zinc/25/93/43/673259343.db2.gz VQCSQYHINBYRHV-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781457 673324883 /nfs/dbraw/zinc/32/48/83/673324883.db2.gz UELYJNHFYOYVCN-OLZOCXBDSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815279 673327389 /nfs/dbraw/zinc/32/73/89/673327389.db2.gz NQMPUXLVODJJIN-GJZGRUSLSA-N 1 0 350.415 2.368 20 5 FEBDRO COc1cc(C(=O)NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000595946345 673342890 /nfs/dbraw/zinc/34/28/90/673342890.db2.gz BTTMJYFGVZLYQB-SNVBAGLBSA-N 1 0 361.345 2.308 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596055146 673354399 /nfs/dbraw/zinc/35/43/99/673354399.db2.gz FRJPVGMALFYGFD-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO C[C@H](CNc1c(Br)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000596104462 673358911 /nfs/dbraw/zinc/35/89/11/673358911.db2.gz LFQWDJISHSBAKU-LLVKDONJSA-N 1 0 357.252 2.405 20 5 FEBDRO COc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596128023 673361725 /nfs/dbraw/zinc/36/17/25/673361725.db2.gz FPJXIRIPSZYWRY-CYBMUJFWSA-N 1 0 368.865 2.473 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000596496328 673389470 /nfs/dbraw/zinc/38/94/70/673389470.db2.gz BZJZIMZKFTZEML-CYBMUJFWSA-N 1 0 354.382 2.308 20 5 FEBDRO CC(C)Oc1nc(N2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596564909 673394118 /nfs/dbraw/zinc/39/41/18/673394118.db2.gz DENHUESEUVUEJN-CQSZACIVSA-N 1 0 352.435 2.324 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000733160767 673401008 /nfs/dbraw/zinc/40/10/08/673401008.db2.gz SNVIMDFHTLUXPD-AWEZNQCLSA-N 1 0 351.378 2.107 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000733299389 673407674 /nfs/dbraw/zinc/40/76/74/673407674.db2.gz CNCWUGACRLKTRS-ZDUSSCGKSA-N 1 0 352.391 2.271 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093901 673446642 /nfs/dbraw/zinc/44/66/42/673446642.db2.gz ZUROJYGLVRGGES-HNNXBMFYSA-N 1 0 353.810 2.390 20 5 FEBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093902 673446689 /nfs/dbraw/zinc/44/66/89/673446689.db2.gz ZUROJYGLVRGGES-OAHLLOKOSA-N 1 0 353.810 2.390 20 5 FEBDRO CS[C@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000539523875 673494590 /nfs/dbraw/zinc/49/45/90/673494590.db2.gz HIQFOXGNJNRODF-ZBFHGGJFSA-N 1 0 367.471 2.176 20 5 FEBDRO C[NH+]1CCC2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000597668313 673497559 /nfs/dbraw/zinc/49/75/59/673497559.db2.gz VIEVCRBOFOXQPV-UHFFFAOYSA-N 1 0 353.369 2.360 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000597941915 673521731 /nfs/dbraw/zinc/52/17/31/673521731.db2.gz GUNLKNUBKNKFSN-ZDUSSCGKSA-N 1 0 368.503 2.319 20 5 FEBDRO CC1(C)CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000540173506 673526793 /nfs/dbraw/zinc/52/67/93/673526793.db2.gz HLRXDCRGANSJDX-OAHLLOKOSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610439 673590109 /nfs/dbraw/zinc/59/01/09/673590109.db2.gz BVQSOPWFICELMZ-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610405 673590214 /nfs/dbraw/zinc/59/02/14/673590214.db2.gz BDRPPIQIVTTXQY-DZGCQCFKSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598622188 673591616 /nfs/dbraw/zinc/59/16/16/673591616.db2.gz YPUCSJWLOYKIIW-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000598715386 673602596 /nfs/dbraw/zinc/60/25/96/673602596.db2.gz PKNDKDYTKBDAKZ-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCN1CC(F)F)OCCO2 ZINC000598987296 673626564 /nfs/dbraw/zinc/62/65/64/673626564.db2.gz KGIGFSJFDYCTLM-LBPRGKRZSA-N 1 0 357.357 2.185 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000599073794 673631642 /nfs/dbraw/zinc/63/16/42/673631642.db2.gz RQDDGPSXOKLRPF-NWANDNLSSA-N 1 0 355.460 2.414 20 5 FEBDRO C[C@](O)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccs1 ZINC000740017119 673641482 /nfs/dbraw/zinc/64/14/82/673641482.db2.gz XZASKMOBZLPMPL-INIZCTEOSA-N 1 0 350.396 2.425 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412869 673672047 /nfs/dbraw/zinc/67/20/47/673672047.db2.gz PSRIQMBBWMGVTM-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464461 673678624 /nfs/dbraw/zinc/67/86/24/673678624.db2.gz LRODWFCNGPZUDN-AWEZNQCLSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000546657046 673809429 /nfs/dbraw/zinc/80/94/29/673809429.db2.gz DRMFMMATTUHQOZ-IMJJTQAJSA-N 1 0 352.456 2.473 20 5 FEBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Cl)CC2)C1=O ZINC000601175764 673831056 /nfs/dbraw/zinc/83/10/56/673831056.db2.gz BPXGEQKWUJLQNW-OAHLLOKOSA-N 1 0 352.822 2.355 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601342210 673845083 /nfs/dbraw/zinc/84/50/83/673845083.db2.gz TZVCOVACEKRASQ-GXTWGEPZSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000601383832 673852835 /nfs/dbraw/zinc/85/28/35/673852835.db2.gz REYVJKWQFQUKOZ-UHFFFAOYSA-N 1 0 359.473 2.214 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601408061 673857179 /nfs/dbraw/zinc/85/71/79/673857179.db2.gz KKRMMXGOWVWXJP-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602611837 673908596 /nfs/dbraw/zinc/90/85/96/673908596.db2.gz GUEFSEUDZHPVCT-STQMWFEESA-N 1 0 350.419 2.136 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1Br ZINC000602646495 673909144 /nfs/dbraw/zinc/90/91/44/673909144.db2.gz ZZBQFYPSRBHAKX-BDAKNGLRSA-N 1 0 365.249 2.153 20 5 FEBDRO CC(C)Oc1nc(N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000566484357 675218033 /nfs/dbraw/zinc/21/80/33/675218033.db2.gz MWHWJXQTBNZEMX-CYBMUJFWSA-N 1 0 352.435 2.058 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000566533524 675221926 /nfs/dbraw/zinc/22/19/26/675221926.db2.gz NIKCHTIKEDCFHI-ZDUSSCGKSA-N 1 0 350.419 2.078 20 5 FEBDRO Cc1cnc([C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000566792603 675243153 /nfs/dbraw/zinc/24/31/53/675243153.db2.gz GKCHIDFJFFYSRH-YPMHNXCESA-N 1 0 351.428 2.493 20 5 FEBDRO CCS(=O)(=O)CC[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000818941474 675244773 /nfs/dbraw/zinc/24/47/73/675244773.db2.gz WGXPTLJJTWKMDS-UHFFFAOYSA-N 1 0 369.365 2.050 20 5 FEBDRO CN(CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000818966352 675247339 /nfs/dbraw/zinc/24/73/39/675247339.db2.gz IUEYAMAOPDXNCO-OAHLLOKOSA-N 1 0 353.419 2.475 20 5 FEBDRO C[C@@H](O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819132257 675263504 /nfs/dbraw/zinc/26/35/04/675263504.db2.gz VGYVVDCNUTZBCY-CYBMUJFWSA-N 1 0 364.423 2.212 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000819197769 675268848 /nfs/dbraw/zinc/26/88/48/675268848.db2.gz LUDMVQIKJXHIRG-CQSZACIVSA-N 1 0 353.325 2.457 20 5 FEBDRO CC(C)(C)OC(=O)NC/C=C\C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819225036 675271244 /nfs/dbraw/zinc/27/12/44/675271244.db2.gz SIHIOTIFNWCZNO-XVWMLYKFSA-N 1 0 351.403 2.299 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000567381505 675288947 /nfs/dbraw/zinc/28/89/47/675288947.db2.gz YMAIPIPZPJQPQQ-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CO1 ZINC000567587957 675304479 /nfs/dbraw/zinc/30/44/79/675304479.db2.gz DKYDAFWEIMBHGK-KWQFWETISA-N 1 0 362.167 2.466 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1CCO ZINC000821053025 675409888 /nfs/dbraw/zinc/40/98/88/675409888.db2.gz SSOYGSQVERKMNV-ZDUSSCGKSA-N 1 0 369.849 2.144 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000821711068 675446235 /nfs/dbraw/zinc/44/62/35/675446235.db2.gz JASIHMOOWSRCQH-BETUJISGSA-N 1 0 369.849 2.094 20 5 FEBDRO CC[N@H+](CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)C1CC1 ZINC000823075223 675527519 /nfs/dbraw/zinc/52/75/19/675527519.db2.gz KJSKUMWXGFCBML-UHFFFAOYSA-N 1 0 368.821 2.421 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825568439 675659270 /nfs/dbraw/zinc/65/92/70/675659270.db2.gz XYYOTIATLMERED-GFCCVEGCSA-N 1 0 350.375 2.286 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000827474250 675758856 /nfs/dbraw/zinc/75/88/56/675758856.db2.gz VEWRGVHVIULERE-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C[C@@]2(C)C1 ZINC000827599369 675767155 /nfs/dbraw/zinc/76/71/55/675767155.db2.gz XMDPEQIVSYPEGJ-IYBDPMFKSA-N 1 0 370.812 2.383 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH+](C)C)CCCCC1 ZINC000603777317 675801448 /nfs/dbraw/zinc/80/14/48/675801448.db2.gz UKQMQRVBOICKII-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OC ZINC000839657728 680769634 /nfs/dbraw/zinc/76/96/34/680769634.db2.gz NHQYNYOXYZEHKY-ZIAGYGMSSA-N 1 0 351.403 2.020 20 5 FEBDRO COc1cc(OCC(=O)OCC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000840226184 680808791 /nfs/dbraw/zinc/80/87/91/680808791.db2.gz ULIGVRLFEWREDO-ZDUSSCGKSA-N 1 0 352.387 2.400 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070098 680861890 /nfs/dbraw/zinc/86/18/90/680861890.db2.gz JWZDXJVXUXZACF-CYBMUJFWSA-N 1 0 366.771 2.174 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000748151891 679934934 /nfs/dbraw/zinc/93/49/34/679934934.db2.gz SKPBRXFVLFQVKB-HNNXBMFYSA-N 1 0 352.460 2.334 20 5 FEBDRO CCO[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])C[NH+](C)C ZINC000831703780 680028557 /nfs/dbraw/zinc/02/85/57/680028557.db2.gz XNHKUXFHNVCYTC-JTQLQIEISA-N 1 0 374.235 2.054 20 5 FEBDRO CC[NH+](CC)[C@H](C)CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000749269388 680035942 /nfs/dbraw/zinc/03/59/42/680035942.db2.gz STADVYZWJAEPAF-SNVBAGLBSA-N 1 0 354.363 2.432 20 5 FEBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000834763966 680264788 /nfs/dbraw/zinc/26/47/88/680264788.db2.gz HLVUAPXKLCBZOS-UHFFFAOYSA-N 1 0 350.375 2.484 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000834885852 680280184 /nfs/dbraw/zinc/28/01/84/680280184.db2.gz FNPVXCXEQXOVBU-ZDUSSCGKSA-N 1 0 356.444 2.148 20 5 FEBDRO CCCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000996439922 680332637 /nfs/dbraw/zinc/33/26/37/680332637.db2.gz JNPLUPKMFRRWAD-HUUCEWRRSA-N 1 0 366.487 2.232 20 5 FEBDRO O=C(NCC1=CC[N@H+](CC2CCC(F)(F)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674010 680436791 /nfs/dbraw/zinc/43/67/91/680436791.db2.gz KYFZTNLVXROPKJ-HUUCEWRRSA-N 1 0 357.401 2.225 20 5 FEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000912350282 685357879 /nfs/dbraw/zinc/35/78/79/685357879.db2.gz BFWGVEKSCKUTFL-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000758152543 680557698 /nfs/dbraw/zinc/55/76/98/680557698.db2.gz YKWOKZWHNMQEQP-CQSZACIVSA-N 1 0 351.378 2.107 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001005376955 680573276 /nfs/dbraw/zinc/57/32/76/680573276.db2.gz XMYPLBHOOMEROX-GDBMZVCRSA-N 1 0 351.834 2.428 20 5 FEBDRO C[C@@H](C[NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841963414 680919289 /nfs/dbraw/zinc/91/92/89/680919289.db2.gz RHHDFJROFMALSQ-VIFPVBQESA-N 1 0 371.235 2.020 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000767689800 680922272 /nfs/dbraw/zinc/92/22/72/680922272.db2.gz PDAIVSABAFMHGV-JKSUJKDBSA-N 1 0 364.471 2.259 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842477065 680949247 /nfs/dbraw/zinc/94/92/47/680949247.db2.gz DSHXRUVRMWGPLC-MEDUHNTESA-N 1 0 352.822 2.403 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CC[NH3+])cc1 ZINC000842701590 680960520 /nfs/dbraw/zinc/96/05/20/680960520.db2.gz OXLULTOWHQMENQ-UHFFFAOYSA-N 1 0 363.439 2.137 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC[C@H]1[NH3+] ZINC000842797024 680967598 /nfs/dbraw/zinc/96/75/98/680967598.db2.gz DIWMMDZOIDXQRO-CMPLNLGQSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@@H]1[NH3+] ZINC000842799579 680967760 /nfs/dbraw/zinc/96/77/60/680967760.db2.gz YDHNNTQLGGZGNO-PWSUYJOCSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000842827355 680969877 /nfs/dbraw/zinc/96/98/77/680969877.db2.gz DSBLIFYHCCNVQL-CQSZACIVSA-N 1 0 361.851 2.225 20 5 FEBDRO Cc1c(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)nnn1C1CC[NH2+]CC1 ZINC000843219057 680992967 /nfs/dbraw/zinc/99/29/67/680992967.db2.gz RRQPMOJFTUXUJY-UHFFFAOYSA-N 1 0 361.387 2.198 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000769763367 680994293 /nfs/dbraw/zinc/99/42/93/680994293.db2.gz NSMMBDAEIOJCCJ-UHFFFAOYSA-N 1 0 365.503 2.297 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000843367184 681000038 /nfs/dbraw/zinc/00/00/38/681000038.db2.gz AUUHOHZOHLZHQA-RAIGVLPGSA-N 1 0 352.822 2.246 20 5 FEBDRO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC[NH+]1CCCCC1 ZINC000844465408 681060787 /nfs/dbraw/zinc/06/07/87/681060787.db2.gz ZCAMZCMFJMDILG-UHFFFAOYSA-N 1 0 352.410 2.480 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846686874 681275487 /nfs/dbraw/zinc/27/54/87/681275487.db2.gz BNYPXHCAXRIMBY-AXAPSJFSSA-N 1 0 351.378 2.092 20 5 FEBDRO CS(=O)(=O)CCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000775584845 681316531 /nfs/dbraw/zinc/31/65/31/681316531.db2.gz BXXHIUHGTYDXAA-UHFFFAOYSA-N 1 0 369.487 2.368 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847257258 681354806 /nfs/dbraw/zinc/35/48/06/681354806.db2.gz VUZLMALYROZIIQ-GOEBONIOSA-N 1 0 351.378 2.246 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776497001 681396398 /nfs/dbraw/zinc/39/63/98/681396398.db2.gz BXLBRDXDOBFDEX-SWLSCSKDSA-N 1 0 374.846 2.074 20 5 FEBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000933761879 681465233 /nfs/dbraw/zinc/46/52/33/681465233.db2.gz NSYLQSILSCNYMH-NHYWBVRUSA-N 1 0 368.231 2.445 20 5 FEBDRO CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+](C)CC1 ZINC000933990999 681493964 /nfs/dbraw/zinc/49/39/64/681493964.db2.gz VPISTWPPIKJLNC-UHFFFAOYSA-N 1 0 360.380 2.293 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000777799888 681531726 /nfs/dbraw/zinc/53/17/26/681531726.db2.gz URUNVTFVOZEWBI-QWRGUYRKSA-N 1 0 363.443 2.450 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(F)(F)F ZINC000848439508 681541630 /nfs/dbraw/zinc/54/16/30/681541630.db2.gz QVZJDSQGWJFLKT-ZDUSSCGKSA-N 1 0 360.336 2.205 20 5 FEBDRO O=C1O[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CN1C1CC1 ZINC000848577153 681580949 /nfs/dbraw/zinc/58/09/49/681580949.db2.gz APYRPQWZFQWYFC-GFCCVEGCSA-N 1 0 357.313 2.269 20 5 FEBDRO C[C@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1=CC[N@H+](C)CC1 ZINC000848586517 681584067 /nfs/dbraw/zinc/58/40/67/681584067.db2.gz MEYQHRVDWXCJCS-NSHDSACASA-N 1 0 355.341 2.333 20 5 FEBDRO C[C@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000848587828 681584222 /nfs/dbraw/zinc/58/42/22/681584222.db2.gz YCUPVRXNEABKRF-NSHDSACASA-N 1 0 355.341 2.333 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912921466 685466792 /nfs/dbraw/zinc/46/67/92/685466792.db2.gz DNAICMQEQCAMQM-CQSZACIVSA-N 1 0 365.455 2.143 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[NH+](C)C ZINC000849429659 681731161 /nfs/dbraw/zinc/73/11/61/681731161.db2.gz STCXCTOEQRRXMZ-MRVPVSSYSA-N 1 0 353.803 2.006 20 5 FEBDRO C[N@H+](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000913385229 685476113 /nfs/dbraw/zinc/47/61/13/685476113.db2.gz UDVCUILMQZLETL-SNVBAGLBSA-N 1 0 361.826 2.441 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000913676811 685481873 /nfs/dbraw/zinc/48/18/73/685481873.db2.gz MMDUXCLAMMWRPN-UHFFFAOYSA-N 1 0 355.822 2.085 20 5 FEBDRO COc1cc(CN2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000780302175 681812778 /nfs/dbraw/zinc/81/27/78/681812778.db2.gz PISBMKSMVTXUPY-LLVKDONJSA-N 1 0 359.373 2.383 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)c(C)cc1[N+](=O)[O-] ZINC000850582261 681918620 /nfs/dbraw/zinc/91/86/20/681918620.db2.gz NZVCLFLZJOUMIF-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO [NH3+]CC12CC(C1)CN2C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000850728914 681949638 /nfs/dbraw/zinc/94/96/38/681949638.db2.gz BOZVIZCOAGUXRZ-UHFFFAOYSA-N 1 0 355.192 2.312 20 5 FEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000851820575 682147696 /nfs/dbraw/zinc/14/76/96/682147696.db2.gz CAEDTGFUDSVNJS-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000784724461 682248821 /nfs/dbraw/zinc/24/88/21/682248821.db2.gz PFEFVYJPEMRXJQ-GHMZBOCLSA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000785761078 682324457 /nfs/dbraw/zinc/32/44/57/682324457.db2.gz WHLCYHLBJGGXQJ-NSHDSACASA-N 1 0 352.391 2.448 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000786174776 682356097 /nfs/dbraw/zinc/35/60/97/682356097.db2.gz YSPHJEKLXWKJPI-UHFFFAOYSA-N 1 0 351.403 2.337 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790636175 682689991 /nfs/dbraw/zinc/68/99/91/682689991.db2.gz VPOSXLLMTFCDLP-GFCCVEGCSA-N 1 0 373.812 2.157 20 5 FEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765456 682910672 /nfs/dbraw/zinc/91/06/72/682910672.db2.gz HBMWPAASJDTMPZ-GRYCIOLGSA-N 1 0 355.341 2.071 20 5 FEBDRO O=C(N1CCC2(CC[NH2+]C2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765040 682910801 /nfs/dbraw/zinc/91/08/01/682910801.db2.gz IVNLOGIVKFGPTF-UHFFFAOYSA-N 1 0 355.341 2.169 20 5 FEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766640 682911036 /nfs/dbraw/zinc/91/10/36/682911036.db2.gz SSCKQQOQEMPAJQ-SDDRHHMPSA-N 1 0 355.341 2.071 20 5 FEBDRO O=C(NCCCCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000926010960 683063328 /nfs/dbraw/zinc/06/33/28/683063328.db2.gz FKYAXDYMDZLKJU-UHFFFAOYSA-N 1 0 369.853 2.445 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000926151465 683083626 /nfs/dbraw/zinc/08/36/26/683083626.db2.gz WFMBOFVLZDYAFC-PBHICJAKSA-N 1 0 368.455 2.163 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000796203465 683140411 /nfs/dbraw/zinc/14/04/11/683140411.db2.gz OTAZYKMAAFCGEC-LBPRGKRZSA-N 1 0 359.423 2.195 20 5 FEBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224164 683323238 /nfs/dbraw/zinc/32/32/38/683323238.db2.gz HGNPPUPPTVQDIS-UHFFFAOYSA-N 1 0 367.830 2.253 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000920704805 683362204 /nfs/dbraw/zinc/36/22/04/683362204.db2.gz KOXCHJKYEULRCP-CQSZACIVSA-N 1 0 352.387 2.117 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075501 683369491 /nfs/dbraw/zinc/36/94/91/683369491.db2.gz DFHYSMVIJBISSX-VVLHAWIVSA-N 1 0 361.467 2.394 20 5 FEBDRO CC(C)[C@@H](C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)[NH+](C)C ZINC000798856416 683398361 /nfs/dbraw/zinc/39/83/61/683398361.db2.gz BYZQBEOMSLHKAI-CJNGLKHVSA-N 1 0 353.394 2.442 20 5 FEBDRO CO[C@@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922615953 683754735 /nfs/dbraw/zinc/75/47/35/683754735.db2.gz PPLZWFGUMYALCA-MRXNPFEDSA-N 1 0 356.444 2.012 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922619185 683756021 /nfs/dbraw/zinc/75/60/21/683756021.db2.gz DDJGATXXGMYDGA-UHFFFAOYSA-N 1 0 350.415 2.349 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1 ZINC000930720104 683776127 /nfs/dbraw/zinc/77/61/27/683776127.db2.gz MEDFNTXMKISTAO-YGRLFVJLSA-N 1 0 359.220 2.234 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])C1 ZINC000930863181 683794119 /nfs/dbraw/zinc/79/41/19/683794119.db2.gz GVWALXUGOVFFIE-ILXRZTDVSA-N 1 0 357.451 2.190 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000866388071 684097032 /nfs/dbraw/zinc/09/70/32/684097032.db2.gz AQFSHIDZPGRTKM-SECBINFHSA-N 1 0 372.340 2.232 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[NH2+]CCC2(C)C)c([N+](=O)[O-])c1 ZINC000866698779 684136380 /nfs/dbraw/zinc/13/63/80/684136380.db2.gz DSPFJSFMBNLDDT-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC23CC[NH+](C)CC3)cc1F ZINC000867041469 684200510 /nfs/dbraw/zinc/20/05/10/684200510.db2.gz OCMSIYZXHFVGQO-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1F ZINC000867063800 684204621 /nfs/dbraw/zinc/20/46/21/684204621.db2.gz AOFXLKKKYUCAKF-LBPRGKRZSA-N 1 0 373.450 2.393 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC000867307588 684243486 /nfs/dbraw/zinc/24/34/86/684243486.db2.gz BVCNIMMAVSLRDS-QWRGUYRKSA-N 1 0 361.851 2.270 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1F ZINC000867378278 684263421 /nfs/dbraw/zinc/26/34/21/684263421.db2.gz RMZXOMZLODOTAT-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000923734552 684342106 /nfs/dbraw/zinc/34/21/06/684342106.db2.gz NSNWZPPYTZWBAF-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000868391754 684489795 /nfs/dbraw/zinc/48/97/95/684489795.db2.gz NPQBSEUFYIRBQY-NHYWBVRUSA-N 1 0 352.822 2.484 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000872229034 684929624 /nfs/dbraw/zinc/92/96/24/684929624.db2.gz MILYVMUYGJLOHB-GDBMZVCRSA-N 1 0 350.415 2.131 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2F)c1 ZINC000872234498 684930068 /nfs/dbraw/zinc/93/00/68/684930068.db2.gz AZJVZUGQVXMDGV-NSHDSACASA-N 1 0 363.176 2.388 20 5 FEBDRO O=C(CC[N@@H+]1CCO[C@@H](C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000872273200 684933745 /nfs/dbraw/zinc/93/37/45/684933745.db2.gz VFQPUODTPWLTEM-CYBMUJFWSA-N 1 0 361.320 2.419 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000872662241 684999867 /nfs/dbraw/zinc/99/98/67/684999867.db2.gz HAPVKSVRJBFFGF-UONOGXRCSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1c(C[NH2+]CC(C)(C)[C@H]2COCC23OCCO3)cccc1[N+](=O)[O-] ZINC000873130218 685078168 /nfs/dbraw/zinc/07/81/68/685078168.db2.gz AUKWMSUPUXARCS-MRXNPFEDSA-N 1 0 350.415 2.409 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)C(C)(C)F)cc([N+](=O)[O-])c2)CC1 ZINC000876228169 686160016 /nfs/dbraw/zinc/16/00/16/686160016.db2.gz MJYDPBKYENSJIP-UHFFFAOYSA-N 1 0 352.410 2.448 20 5 FEBDRO CC1CCC2(CC1)OC[C@H](C[NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)O2 ZINC000877142862 686332403 /nfs/dbraw/zinc/33/24/03/686332403.db2.gz YASDXCYJCZWFSM-AIWVUANBSA-N 1 0 350.419 2.406 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000877335000 686356315 /nfs/dbraw/zinc/35/63/15/686356315.db2.gz GMZIHOHKJQQFGD-LBPRGKRZSA-N 1 0 365.455 2.205 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000877358121 686361852 /nfs/dbraw/zinc/36/18/52/686361852.db2.gz BCQTUJNUMXADQD-SFYZADRCSA-N 1 0 351.712 2.457 20 5 FEBDRO CC(C)(C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877364183 686364776 /nfs/dbraw/zinc/36/47/76/686364776.db2.gz LDMIMMUYQPFWRA-GXFFZTMASA-N 1 0 359.348 2.468 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000877365926 686365429 /nfs/dbraw/zinc/36/54/29/686365429.db2.gz IIOOEDCLESYBNE-SKDRFNHKSA-N 1 0 363.361 2.283 20 5 FEBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000877392015 686371310 /nfs/dbraw/zinc/37/13/10/686371310.db2.gz KVEPXSJJDZBPJW-GXTWGEPZSA-N 1 0 354.204 2.372 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000877746424 686448591 /nfs/dbraw/zinc/44/85/91/686448591.db2.gz OVBDBQROTJCNFA-UHFFFAOYSA-N 1 0 352.866 2.460 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879322720 686795631 /nfs/dbraw/zinc/79/56/31/686795631.db2.gz VJRJKDTXQULJGS-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880580013 687061745 /nfs/dbraw/zinc/06/17/45/687061745.db2.gz XUTNOMZHHMKPMH-INIZCTEOSA-N 1 0 350.415 2.227 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000881440111 687134001 /nfs/dbraw/zinc/13/40/01/687134001.db2.gz TWXVFWGRVOIEAK-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000881892063 687248784 /nfs/dbraw/zinc/24/87/84/687248784.db2.gz BJXFPSTYPFIZLW-NSHDSACASA-N 1 0 361.851 2.129 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000882127372 687308751 /nfs/dbraw/zinc/30/87/51/687308751.db2.gz IKVHVIVUHBKPLG-GFCCVEGCSA-N 1 0 350.188 2.221 20 5 FEBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000882430666 687365942 /nfs/dbraw/zinc/36/59/42/687365942.db2.gz AARLSBFEMLAIDT-OCCSQVGLSA-N 1 0 373.450 2.475 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000882501318 687379548 /nfs/dbraw/zinc/37/95/48/687379548.db2.gz RELCBUHIIYQZFT-AAEUAGOBSA-N 1 0 373.862 2.271 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000882768006 687479638 /nfs/dbraw/zinc/47/96/38/687479638.db2.gz MBQTXCGVSHYQHA-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882769900 687481782 /nfs/dbraw/zinc/48/17/82/687481782.db2.gz QGDSISXXNITFNQ-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000883306383 687605410 /nfs/dbraw/zinc/60/54/10/687605410.db2.gz UNHXFAMXUDTPAE-KRWDZBQOSA-N 1 0 367.471 2.121 20 5 FEBDRO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885858077 688170346 /nfs/dbraw/zinc/17/03/46/688170346.db2.gz LBGJOCZOLUDFSD-AWEZNQCLSA-N 1 0 365.455 2.056 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000886798622 688314415 /nfs/dbraw/zinc/31/44/15/688314415.db2.gz DYVNCPWCMZYUAG-AWEZNQCLSA-N 1 0 364.320 2.229 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Cl ZINC000889752018 688817549 /nfs/dbraw/zinc/81/75/49/688817549.db2.gz UBPPJLDUVDGNRZ-LSDHHAIUSA-N 1 0 367.833 2.228 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756901 688817927 /nfs/dbraw/zinc/81/79/27/688817927.db2.gz PCLNTEJVKQZZKH-KGLIPLIRSA-N 1 0 367.833 2.228 20 5 FEBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000890882196 688978799 /nfs/dbraw/zinc/97/87/99/688978799.db2.gz RKMBWAZXEYVTGX-UHFFFAOYSA-N 1 0 369.487 2.339 20 5 FEBDRO C[C@@]1(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892781112 689242969 /nfs/dbraw/zinc/24/29/69/689242969.db2.gz UZKOBBFEFOIMKG-MRXNPFEDSA-N 1 0 355.341 2.410 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000894048446 689456289 /nfs/dbraw/zinc/45/62/89/689456289.db2.gz WKQGNLKDDMCSQR-SWLSCSKDSA-N 1 0 352.822 2.136 20 5 FEBDRO CN1C[C@H](CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1=O ZINC000896306523 689852987 /nfs/dbraw/zinc/85/29/87/689852987.db2.gz TVFMRGUCAKETDM-MRVPVSSYSA-N 1 0 362.249 2.377 20 5 FEBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000897347914 690010328 /nfs/dbraw/zinc/01/03/28/690010328.db2.gz WVFMNOMHKJDHFM-ZETCQYMHSA-N 1 0 372.248 2.194 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900049899 690466875 /nfs/dbraw/zinc/46/68/75/690466875.db2.gz SUVXBAGSNACNHQ-INIZCTEOSA-N 1 0 355.822 2.053 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)cn1 ZINC000900474888 690521588 /nfs/dbraw/zinc/52/15/88/690521588.db2.gz VBGCUQNIWVKAKG-UHFFFAOYSA-N 1 0 355.757 2.398 20 5 FEBDRO CC(C)O[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOC1 ZINC000903358000 690884844 /nfs/dbraw/zinc/88/48/44/690884844.db2.gz QYNXEFRISQVZSL-UXLLHSPISA-N 1 0 352.435 2.449 20 5 FEBDRO COCC[C@@H]1C[NH2+]CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903841658 690978090 /nfs/dbraw/zinc/97/80/90/690978090.db2.gz ZEFZTUYCRTXWBV-LLVKDONJSA-N 1 0 358.236 2.168 20 5 FEBDRO COc1cc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903982800 690992129 /nfs/dbraw/zinc/99/21/29/690992129.db2.gz VVMFDISZVAFTLU-QWRGUYRKSA-N 1 0 363.336 2.324 20 5 FEBDRO COc1cc(CN[C@@H]2C[NH2+]CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000904461235 691029786 /nfs/dbraw/zinc/02/97/86/691029786.db2.gz FWQULUUKJIFCAW-CQSZACIVSA-N 1 0 359.373 2.335 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000905079269 691064415 /nfs/dbraw/zinc/06/44/15/691064415.db2.gz ADOMTGOROHLSTA-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000905359693 691108381 /nfs/dbraw/zinc/10/83/81/691108381.db2.gz NONFVPJDEXRODU-OAHLLOKOSA-N 1 0 371.434 2.133 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000905361273 691108777 /nfs/dbraw/zinc/10/87/77/691108777.db2.gz WPJVSDSWYUNALP-INIZCTEOSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000905477024 691123788 /nfs/dbraw/zinc/12/37/88/691123788.db2.gz DARFPDWSYNHTTE-CABCVRRESA-N 1 0 350.415 2.273 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906602654 691290512 /nfs/dbraw/zinc/29/05/12/691290512.db2.gz RIXJTOZNPSIVSF-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C2 ZINC000908534742 691694603 /nfs/dbraw/zinc/69/46/03/691694603.db2.gz FQINRUINUAQIJI-MRXNPFEDSA-N 1 0 352.822 2.388 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)n1 ZINC001164729442 720511973 /nfs/dbraw/zinc/51/19/73/720511973.db2.gz NMZVUESBHJPCTL-LBPRGKRZSA-N 1 0 364.837 2.346 20 5 FEBDRO CN(C)/C=C/c1cc(N2CC3(C2)CC[N@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769844 721296228 /nfs/dbraw/zinc/29/62/28/721296228.db2.gz OPBKPNGLLJOKRM-FNORWQNLSA-N 1 0 357.458 2.444 20 5 FEBDRO O=[N+]([O-])c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901674 721511449 /nfs/dbraw/zinc/51/14/49/721511449.db2.gz XYBFFZRJSFCJBX-DOTOQJQBSA-N 1 0 358.373 2.471 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902110 721520573 /nfs/dbraw/zinc/52/05/73/721520573.db2.gz ZGLLPAZGMFXANQ-GOEBONIOSA-N 1 0 358.373 2.471 20 5 FEBDRO Nc1cc([N+](=O)[O-])cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907536 721551566 /nfs/dbraw/zinc/55/15/66/721551566.db2.gz OCUDDDXAOTZDLZ-GDBMZVCRSA-N 1 0 373.388 2.053 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164927596 721858848 /nfs/dbraw/zinc/85/88/48/721858848.db2.gz LNUSJQTVQYUVSL-KGLIPLIRSA-N 1 0 353.854 2.166 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000012141059 539546043 /nfs/dbraw/zinc/54/60/43/539546043.db2.gz YQWRZMRZNHBWCT-UHFFFAOYSA-N 1 0 359.448 2.001 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=S)NCC1CC[NH+](C)CC1 ZINC000800828910 674079968 /nfs/dbraw/zinc/07/99/68/674079968.db2.gz USVJPNVGFWDFKP-UHFFFAOYSA-N 1 0 350.488 2.285 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1OC ZINC000041915417 540039935 /nfs/dbraw/zinc/03/99/35/540039935.db2.gz LNNDSCBDGPCWDV-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000043821420 540110889 /nfs/dbraw/zinc/11/08/89/540110889.db2.gz OUFQMQYMUTXDEJ-MRXNPFEDSA-N 1 0 364.446 2.093 20 5 FEBDRO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000044314338 540124297 /nfs/dbraw/zinc/12/42/97/540124297.db2.gz VDTFNFQJTFXPPG-UHFFFAOYSA-N 1 0 374.466 2.204 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044533242 540130021 /nfs/dbraw/zinc/13/00/21/540130021.db2.gz OTOWUGXZAGZXKO-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000049969128 540395243 /nfs/dbraw/zinc/39/52/43/540395243.db2.gz GSNHNMOUQPOGNC-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO C[N@H+](CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000052795266 540488839 /nfs/dbraw/zinc/48/88/39/540488839.db2.gz RXIFDLGADFAOIQ-UHFFFAOYSA-N 1 0 363.439 2.395 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000053672005 540548465 /nfs/dbraw/zinc/54/84/65/540548465.db2.gz OQOAUKVVTATGIO-UHFFFAOYSA-N 1 0 355.460 2.336 20 5 FEBDRO COC(=O)c1ccnc(N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000055058365 540625310 /nfs/dbraw/zinc/62/53/10/540625310.db2.gz CDAUSUPNVAUSEV-UHFFFAOYSA-N 1 0 370.409 2.489 20 5 FEBDRO CCc1cc(N2CC[NH+](CCCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060332590 541105571 /nfs/dbraw/zinc/10/55/71/541105571.db2.gz IAKHLINPHLCVAY-UHFFFAOYSA-N 1 0 371.441 2.119 20 5 FEBDRO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000061239085 541128377 /nfs/dbraw/zinc/12/83/77/541128377.db2.gz SATLKGZBHXFIDE-UHFFFAOYSA-N 1 0 360.458 2.413 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063827924 541187343 /nfs/dbraw/zinc/18/73/43/541187343.db2.gz LJYIXHHNBFERHQ-GASCZTMLSA-N 1 0 351.451 2.056 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000065769791 541260012 /nfs/dbraw/zinc/26/00/12/541260012.db2.gz QLANSJHWLAVMJZ-QGZVFWFLSA-N 1 0 357.414 2.135 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066045793 541278804 /nfs/dbraw/zinc/27/88/04/541278804.db2.gz NWSOBQCBRNEEFA-UHFFFAOYSA-N 1 0 363.462 2.296 20 5 FEBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066537193 541333857 /nfs/dbraw/zinc/33/38/57/541333857.db2.gz SJHUNCUXIBQNOK-KRWDZBQOSA-N 1 0 358.442 2.044 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067164658 541427464 /nfs/dbraw/zinc/42/74/64/541427464.db2.gz XJXISPVZCAJYJE-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000067536159 541476538 /nfs/dbraw/zinc/47/65/38/541476538.db2.gz QWIDIBUZZOITCT-UHFFFAOYSA-N 1 0 369.425 2.454 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000068178568 541558692 /nfs/dbraw/zinc/55/86/92/541558692.db2.gz CSNNITVYPSGWGN-MRXNPFEDSA-N 1 0 357.414 2.053 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069149717 541662947 /nfs/dbraw/zinc/66/29/47/541662947.db2.gz LRNAFGUIGWWGAO-UHFFFAOYSA-N 1 0 364.446 2.395 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069295838 541675355 /nfs/dbraw/zinc/67/53/55/541675355.db2.gz NGWBAYOHPIHKNB-CQSZACIVSA-N 1 0 350.419 2.005 20 5 FEBDRO O=C(CN1CC[C@H](C[NH+]2CCCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072718754 541857168 /nfs/dbraw/zinc/85/71/68/541857168.db2.gz QJYLVOFWUVEVSI-MRXNPFEDSA-N 1 0 372.469 2.292 20 5 FEBDRO COCCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796467 541866493 /nfs/dbraw/zinc/86/64/93/541866493.db2.gz OEBMTRMRKNBRGK-OAHLLOKOSA-N 1 0 365.430 2.217 20 5 FEBDRO C[NH+](C)C1(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000074162654 542045699 /nfs/dbraw/zinc/04/56/99/542045699.db2.gz YSEKPHBOTQGODS-UHFFFAOYSA-N 1 0 364.446 2.014 20 5 FEBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448491 542085493 /nfs/dbraw/zinc/08/54/93/542085493.db2.gz PNBBIDDIZYTKQC-QGZVFWFLSA-N 1 0 371.441 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835688 542205828 /nfs/dbraw/zinc/20/58/28/542205828.db2.gz IIFVPHOLJYRWMN-SJLPKXTDSA-N 1 0 363.458 2.142 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000801546643 674134732 /nfs/dbraw/zinc/13/47/32/674134732.db2.gz NRVDOGAJZOHNKO-VXGBXAGGSA-N 1 0 372.263 2.244 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000018063054 211190715 /nfs/dbraw/zinc/19/07/15/211190715.db2.gz HRUXQCHYPKMTAJ-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO CCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076405106 542274881 /nfs/dbraw/zinc/27/48/81/542274881.db2.gz UUOQNEXBOGUOGT-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000076480208 542283198 /nfs/dbraw/zinc/28/31/98/542283198.db2.gz CBNLUQDSGDXNQL-IUODEOHRSA-N 1 0 353.394 2.301 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@H+](CC(C)C)CC1 ZINC000077363689 542372851 /nfs/dbraw/zinc/37/28/51/542372851.db2.gz ZWFQEIQLRQVWHC-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000078523207 542465244 /nfs/dbraw/zinc/46/52/44/542465244.db2.gz BUKPHNCFKXHSJP-LBPRGKRZSA-N 1 0 358.236 2.250 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000079282080 542510098 /nfs/dbraw/zinc/51/00/98/542510098.db2.gz XEXMENKUEQTOTC-AWEZNQCLSA-N 1 0 355.460 2.136 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000079721223 542538318 /nfs/dbraw/zinc/53/83/18/542538318.db2.gz RXQKBYCXOGQEKR-KRWDZBQOSA-N 1 0 371.441 2.005 20 5 FEBDRO Cn1cc(C[NH+]2CCC(n3cncn3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092647581 542876552 /nfs/dbraw/zinc/87/65/52/542876552.db2.gz GEMSOJJCUDJIBV-UHFFFAOYSA-N 1 0 367.413 2.424 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000092692721 542881737 /nfs/dbraw/zinc/88/17/37/542881737.db2.gz RBLDIIPVOUGNBD-UHFFFAOYSA-N 1 0 372.429 2.400 20 5 FEBDRO C[NH+](C)Cc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000092980168 542899557 /nfs/dbraw/zinc/89/95/57/542899557.db2.gz FBNVAJKVPDOKQB-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000093019929 542902406 /nfs/dbraw/zinc/90/24/06/542902406.db2.gz WTCJZBAIHSMYPP-OCCSQVGLSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000247427700 549332823 /nfs/dbraw/zinc/33/28/23/549332823.db2.gz KWLFVIICBURVSJ-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO Cn1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093645998 542936034 /nfs/dbraw/zinc/93/60/34/542936034.db2.gz QBQCEFKBWDGLJB-UHFFFAOYSA-N 1 0 367.413 2.493 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)N2CCCC2)o1 ZINC000101527447 543029145 /nfs/dbraw/zinc/02/91/45/543029145.db2.gz RWQQCSLATIMQGX-ZDUSSCGKSA-N 1 0 361.402 2.105 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891890 543253127 /nfs/dbraw/zinc/25/31/27/543253127.db2.gz JWPPTIWNBCWCDK-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO Cn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108306057 543285690 /nfs/dbraw/zinc/28/56/90/543285690.db2.gz FVDFJCPBDBLDFD-OAHLLOKOSA-N 1 0 369.425 2.209 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000108326772 543286375 /nfs/dbraw/zinc/28/63/75/543286375.db2.gz RIYVUOJZIQSSCU-JTQLQIEISA-N 1 0 373.356 2.276 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000110355918 543355992 /nfs/dbraw/zinc/35/59/92/543355992.db2.gz DIXKJZFAWNCOOF-CQSZACIVSA-N 1 0 359.430 2.127 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000110975313 543376400 /nfs/dbraw/zinc/37/64/00/543376400.db2.gz ITDVHJFCJORZPN-CYBMUJFWSA-N 1 0 351.451 2.267 20 5 FEBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000110975316 543376556 /nfs/dbraw/zinc/37/65/56/543376556.db2.gz ITDVHJFCJORZPN-ZDUSSCGKSA-N 1 0 351.451 2.267 20 5 FEBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000110871086 543371001 /nfs/dbraw/zinc/37/10/01/543371001.db2.gz KCYLNVSBBILGGT-UHFFFAOYSA-N 1 0 359.430 2.338 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111352595 543398623 /nfs/dbraw/zinc/39/86/23/543398623.db2.gz XXIHIAPTOHHDIT-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000112466525 543447816 /nfs/dbraw/zinc/44/78/16/543447816.db2.gz WYBUJHCEERTUFI-UHFFFAOYSA-N 1 0 363.462 2.158 20 5 FEBDRO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000114377237 543512029 /nfs/dbraw/zinc/51/20/29/543512029.db2.gz ZRKYKUOHGUCFRL-MRXNPFEDSA-N 1 0 374.445 2.190 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000114399786 543513519 /nfs/dbraw/zinc/51/35/19/543513519.db2.gz KEYBBWJXIYHMPX-OAHLLOKOSA-N 1 0 360.458 2.221 20 5 FEBDRO CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000114645078 543527754 /nfs/dbraw/zinc/52/77/54/543527754.db2.gz DOQBOFVTQRMEKD-MRXNPFEDSA-N 1 0 371.441 2.307 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869733 543728480 /nfs/dbraw/zinc/72/84/80/543728480.db2.gz KJLSRYHFMVEZOK-RYUDHWBXSA-N 1 0 351.403 2.167 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000122895406 543730240 /nfs/dbraw/zinc/73/02/40/543730240.db2.gz OQPGGWCRNQBJFM-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO COC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000123122875 543744267 /nfs/dbraw/zinc/74/42/67/543744267.db2.gz CDCDQXLTPZALQE-UHFFFAOYSA-N 1 0 360.414 2.281 20 5 FEBDRO CN(C(=O)C[N@@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713653 543778546 /nfs/dbraw/zinc/77/85/46/543778546.db2.gz HNTNNEAEXSOQBV-OAHLLOKOSA-N 1 0 371.441 2.246 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123599120 543771266 /nfs/dbraw/zinc/77/12/66/543771266.db2.gz JJBRKHGSLHGGME-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000123619543 543772444 /nfs/dbraw/zinc/77/24/44/543772444.db2.gz JPQLPQDVVZFYBX-CABCVRRESA-N 1 0 365.455 2.180 20 5 FEBDRO CCOC(=O)c1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000126068028 543916363 /nfs/dbraw/zinc/91/63/63/543916363.db2.gz CBBBORPNSIMLJN-HNNXBMFYSA-N 1 0 365.430 2.276 20 5 FEBDRO C[C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[NH2+]C1 ZINC000127274200 543982164 /nfs/dbraw/zinc/98/21/64/543982164.db2.gz NVGJGZSWRHHIJJ-HZPDHXFCSA-N 1 0 360.458 2.269 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000128109053 544033392 /nfs/dbraw/zinc/03/33/92/544033392.db2.gz WNQIEJSLALZJRO-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000128559433 544059501 /nfs/dbraw/zinc/05/95/01/544059501.db2.gz CXHIMIKQRQIYIQ-HNNXBMFYSA-N 1 0 357.414 2.204 20 5 FEBDRO O=C(CC[NH2+][C@]1(CO)CCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000129279483 544102427 /nfs/dbraw/zinc/10/24/27/544102427.db2.gz QZCLNRMIDNJURN-IBGZPJMESA-N 1 0 373.384 2.486 20 5 FEBDRO Cc1c(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000130466415 544152263 /nfs/dbraw/zinc/15/22/63/544152263.db2.gz IXEPRHVPTBTEDE-MRXNPFEDSA-N 1 0 360.458 2.032 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000131466650 544191469 /nfs/dbraw/zinc/19/14/69/544191469.db2.gz UUDKRNDXUKXBNR-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCN1CCOC ZINC000130984455 544173212 /nfs/dbraw/zinc/17/32/12/544173212.db2.gz YNDRETLHCGUZKP-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000131712577 544203236 /nfs/dbraw/zinc/20/32/36/544203236.db2.gz RRAJEAJOGISRTD-HNNXBMFYSA-N 1 0 373.409 2.068 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](COC)Cc1ccccc1 ZINC000132372545 544228928 /nfs/dbraw/zinc/22/89/28/544228928.db2.gz MKJIONUJSQIGPI-SFHVURJKSA-N 1 0 359.426 2.336 20 5 FEBDRO CC1CC[NH+]([C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)c2ccccc2)CC1 ZINC000133758946 544282027 /nfs/dbraw/zinc/28/20/27/544282027.db2.gz KNRSYBJDPFDZQI-QGZVFWFLSA-N 1 0 371.441 2.381 20 5 FEBDRO C[C@](CO)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000133004572 544252138 /nfs/dbraw/zinc/25/21/38/544252138.db2.gz JCPFFBQTXDFKAI-FUHWJXTLSA-N 1 0 352.431 2.255 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134371978 544305707 /nfs/dbraw/zinc/30/57/07/544305707.db2.gz DHHXOVWYPMJOQB-HNNXBMFYSA-N 1 0 353.419 2.271 20 5 FEBDRO CCOC(=O)c1ccnc(N2CCC(Cc3nccn3C)CC2)c1[N+](=O)[O-] ZINC000134195242 544298592 /nfs/dbraw/zinc/29/85/92/544298592.db2.gz AWCPWFHUYWXUTP-UHFFFAOYSA-N 1 0 373.413 2.359 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000137326244 544388721 /nfs/dbraw/zinc/38/87/21/544388721.db2.gz WRNPRHRPYSYQBY-CYBMUJFWSA-N 1 0 367.471 2.093 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000137567083 544391498 /nfs/dbraw/zinc/39/14/98/544391498.db2.gz BKICMUVXWBKUDV-LBPRGKRZSA-N 1 0 353.444 2.015 20 5 FEBDRO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000150876628 544482419 /nfs/dbraw/zinc/48/24/19/544482419.db2.gz DJZMFJKRPYZLMY-DZGCQCFKSA-N 1 0 356.430 2.456 20 5 FEBDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151261044 544521536 /nfs/dbraw/zinc/52/15/36/544521536.db2.gz GMIRWQJEACEHRY-UHFFFAOYSA-N 1 0 353.423 2.028 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000151738851 544574572 /nfs/dbraw/zinc/57/45/72/544574572.db2.gz JJMFGBSIEKJDJG-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000152322270 544638724 /nfs/dbraw/zinc/63/87/24/544638724.db2.gz PVGKGGTZPYHNEI-AWEZNQCLSA-N 1 0 374.445 2.220 20 5 FEBDRO Cc1cc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000153795478 544825007 /nfs/dbraw/zinc/82/50/07/544825007.db2.gz QILDPTSDNHKZED-CQSZACIVSA-N 1 0 364.446 2.460 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000153998817 544851120 /nfs/dbraw/zinc/85/11/20/544851120.db2.gz XNJDSINUKIIYGL-UHFFFAOYSA-N 1 0 374.372 2.050 20 5 FEBDRO CNC(=O)CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154621166 544929882 /nfs/dbraw/zinc/92/98/82/544929882.db2.gz OAJSZOSTPAWUNN-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000181221068 327721250 /nfs/dbraw/zinc/72/12/50/327721250.db2.gz JEXPARCOFMSGGA-CQSZACIVSA-N 1 0 361.398 2.414 20 5 FEBDRO C[C@](CO)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181905060 327751876 /nfs/dbraw/zinc/75/18/76/327751876.db2.gz KGSBIIUREDGLRF-QGZVFWFLSA-N 1 0 370.471 2.289 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cnn(C)c2C)c([N+](=O)[O-])c1 ZINC000183346587 327812830 /nfs/dbraw/zinc/81/28/30/327812830.db2.gz VIVYUTJWAKXMTI-LLVKDONJSA-N 1 0 361.402 2.325 20 5 FEBDRO CC[NH+](CC)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185383263 327913806 /nfs/dbraw/zinc/91/38/06/327913806.db2.gz WNGGCWPAIKEEKV-UHFFFAOYSA-N 1 0 366.443 2.153 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000185773940 327932523 /nfs/dbraw/zinc/93/25/23/327932523.db2.gz KEYITQBPQVZLAA-HNNXBMFYSA-N 1 0 353.444 2.234 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCCC1 ZINC000186188050 327950592 /nfs/dbraw/zinc/95/05/92/327950592.db2.gz YLPCNDPGYIBUSP-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000186721115 327978163 /nfs/dbraw/zinc/97/81/63/327978163.db2.gz SIDBCQLQDURTHU-QGZVFWFLSA-N 1 0 351.403 2.151 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000553893505 674292686 /nfs/dbraw/zinc/29/26/86/674292686.db2.gz TZKHBSUHJRJRPK-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187903652 328053497 /nfs/dbraw/zinc/05/34/97/328053497.db2.gz MIVMSQVSNMEIAL-ACJLOTCBSA-N 1 0 365.430 2.415 20 5 FEBDRO CC(C)c1ccc(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000188136865 328068575 /nfs/dbraw/zinc/06/85/75/328068575.db2.gz HOELSJUOSAJMLF-OAHLLOKOSA-N 1 0 362.474 2.474 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)[NH+](C)C ZINC000188208383 328073230 /nfs/dbraw/zinc/07/32/30/328073230.db2.gz BXKPDLBWSCPPLW-OAHLLOKOSA-N 1 0 373.475 2.248 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188246878 328075720 /nfs/dbraw/zinc/07/57/20/328075720.db2.gz IXSKKFRUHHCNHN-UHFFFAOYSA-N 1 0 361.439 2.476 20 5 FEBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1CC(C)(C)O ZINC000188897567 328116454 /nfs/dbraw/zinc/11/64/54/328116454.db2.gz GWPGQTVHOWVKHN-GFCCVEGCSA-N 1 0 373.400 2.473 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189074826 328127073 /nfs/dbraw/zinc/12/70/73/328127073.db2.gz SNYHXXZIMBVOGH-ZDUSSCGKSA-N 1 0 353.444 2.063 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC1(O)CCOCC1 ZINC000189760132 328166242 /nfs/dbraw/zinc/16/62/42/328166242.db2.gz QDNRNVLWRIAIIY-LBPRGKRZSA-N 1 0 362.386 2.179 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190023183 328183277 /nfs/dbraw/zinc/18/32/77/328183277.db2.gz RIYDYGPAQLVPKR-LSDHHAIUSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[N+](=O)[O-] ZINC000190077910 328186018 /nfs/dbraw/zinc/18/60/18/328186018.db2.gz DGXUFSHFSXETKN-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000191987818 328292045 /nfs/dbraw/zinc/29/20/45/328292045.db2.gz BMXVUFRVVQSOHG-KGLIPLIRSA-N 1 0 355.460 2.315 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000192152398 328303014 /nfs/dbraw/zinc/30/30/14/328303014.db2.gz RXDKQCYFMJLUNC-XJKSGUPXSA-N 1 0 363.805 2.006 20 5 FEBDRO C[N@H+]1C[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]2C1 ZINC000192515390 328323266 /nfs/dbraw/zinc/32/32/66/328323266.db2.gz BEUFAMVHKJWUGO-BETUJISGSA-N 1 0 358.423 2.352 20 5 FEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192674768 328332403 /nfs/dbraw/zinc/33/24/03/328332403.db2.gz UQTUWNNDVHJSSI-INIZCTEOSA-N 1 0 355.460 2.233 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000192805002 328340493 /nfs/dbraw/zinc/34/04/93/328340493.db2.gz OKGIFHMYDWNWDB-IBGZPJMESA-N 1 0 373.457 2.193 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000192867195 328344067 /nfs/dbraw/zinc/34/40/67/328344067.db2.gz YSDXOTGJXJMFLW-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000192896980 328345518 /nfs/dbraw/zinc/34/55/18/328345518.db2.gz RLMDTRMRKWYNCL-UHFFFAOYSA-N 1 0 356.382 2.221 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)CC[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000193182682 328361462 /nfs/dbraw/zinc/36/14/62/328361462.db2.gz BLWPYLIYQZYDGH-JSGCOSHPSA-N 1 0 351.403 2.221 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000193628906 328386546 /nfs/dbraw/zinc/38/65/46/328386546.db2.gz UBWKYJYXLCEFNH-DGCLKSJQSA-N 1 0 353.444 2.093 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000193691936 328389734 /nfs/dbraw/zinc/38/97/34/328389734.db2.gz FSMALCGSHACQAR-DOMZBBRYSA-N 1 0 356.382 2.088 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193972230 328404655 /nfs/dbraw/zinc/40/46/55/328404655.db2.gz XCBSHFILMIJZPR-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO CC(C)C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000039972120 324497055 /nfs/dbraw/zinc/49/70/55/324497055.db2.gz NOUYOVUHPHRLDU-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000048605040 324668618 /nfs/dbraw/zinc/66/86/18/324668618.db2.gz UWJXCQOXYZQLIX-UHFFFAOYSA-N 1 0 362.430 2.267 20 5 FEBDRO COc1cc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])ccc1OCC(N)=O ZINC000237103518 328504694 /nfs/dbraw/zinc/50/46/94/328504694.db2.gz IWZPBWXBBSCVKT-GQCTYLIASA-N 1 0 371.393 2.271 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237214533 328508762 /nfs/dbraw/zinc/50/87/62/328508762.db2.gz OCBOCZVSWKFQFY-DOMZBBRYSA-N 1 0 367.471 2.422 20 5 FEBDRO C[C@@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC[NH2+]CC1 ZINC000237376163 328514275 /nfs/dbraw/zinc/51/42/75/328514275.db2.gz RAGIFLPYDIPZOT-DZGCQCFKSA-N 1 0 361.446 2.028 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000237298953 328511547 /nfs/dbraw/zinc/51/15/47/328511547.db2.gz YVXPGFMIMFUZSE-VXGBXAGGSA-N 1 0 355.822 2.474 20 5 FEBDRO Cc1cnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000078654118 325056035 /nfs/dbraw/zinc/05/60/35/325056035.db2.gz FWBAKKMMQMXGHS-UHFFFAOYSA-N 1 0 362.352 2.389 20 5 FEBDRO C[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCCCC2)C1 ZINC000081597703 325187835 /nfs/dbraw/zinc/18/78/35/325187835.db2.gz ASDDBHVJOFASCR-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087316934 325279501 /nfs/dbraw/zinc/27/95/01/325279501.db2.gz JKUSODBMBQJGML-UHFFFAOYSA-N 1 0 370.409 2.327 20 5 FEBDRO Nc1c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000089393294 325314730 /nfs/dbraw/zinc/31/47/30/325314730.db2.gz BEVJMZLUVJADQN-UHFFFAOYSA-N 1 0 355.398 2.218 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000090015392 325351320 /nfs/dbraw/zinc/35/13/20/325351320.db2.gz YBQMBQNODUJZRY-CABCVRRESA-N 1 0 367.471 2.432 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000090015391 325351413 /nfs/dbraw/zinc/35/14/13/325351413.db2.gz YBQMBQNODUJZRY-HUUCEWRRSA-N 1 0 367.471 2.432 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC000090015316 325351600 /nfs/dbraw/zinc/35/16/00/325351600.db2.gz YEUDVZUMLLXCOX-OAHLLOKOSA-N 1 0 361.423 2.150 20 5 FEBDRO CS(=O)(=O)CC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000090182946 325356171 /nfs/dbraw/zinc/35/61/71/325356171.db2.gz PVFNBUPBGBRRCU-HNNXBMFYSA-N 1 0 352.456 2.330 20 5 FEBDRO COCc1nc2n(n1)C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC2 ZINC000090394415 325357410 /nfs/dbraw/zinc/35/74/10/325357410.db2.gz PFAGZXJUYCBGNM-HZPDHXFCSA-N 1 0 371.441 2.258 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000090551813 325362849 /nfs/dbraw/zinc/36/28/49/325362849.db2.gz FNSSRFBNHSMLJZ-SFHVURJKSA-N 1 0 357.410 2.128 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)C1CC1 ZINC000090882367 325368926 /nfs/dbraw/zinc/36/89/26/325368926.db2.gz VQBJWKRXQIHFQJ-MRXNPFEDSA-N 1 0 352.456 2.330 20 5 FEBDRO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000116348543 326008594 /nfs/dbraw/zinc/00/85/94/326008594.db2.gz KIPWJYLTJBSQTA-RDJZCZTQSA-N 1 0 371.441 2.475 20 5 FEBDRO COCCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116885513 326039996 /nfs/dbraw/zinc/03/99/96/326039996.db2.gz GSVVZCQSCYMMME-UHFFFAOYSA-N 1 0 351.403 2.051 20 5 FEBDRO Cc1ccsc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000116922513 326042270 /nfs/dbraw/zinc/04/22/70/326042270.db2.gz RRUNWSNGIRZEBF-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000117259788 326053598 /nfs/dbraw/zinc/05/35/98/326053598.db2.gz SFUUBBWOQUBURU-UHFFFAOYSA-N 1 0 372.425 2.240 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(n2ccnc2)CC1 ZINC000117340887 326058258 /nfs/dbraw/zinc/05/82/58/326058258.db2.gz XRGVAUQCODTNGJ-UHFFFAOYSA-N 1 0 371.397 2.426 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000118722932 326098727 /nfs/dbraw/zinc/09/87/27/326098727.db2.gz OLHCTCNWSSBMHK-ZDUSSCGKSA-N 1 0 367.471 2.038 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119028029 326119615 /nfs/dbraw/zinc/11/96/15/326119615.db2.gz IUKNBAVICKNJKJ-HNNXBMFYSA-N 1 0 372.429 2.236 20 5 FEBDRO O=C(CC1([NH+]2CCOCC2)CCCC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000119212227 326137657 /nfs/dbraw/zinc/13/76/57/326137657.db2.gz XKRAOUMNUZJXBZ-UHFFFAOYSA-N 1 0 361.442 2.289 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120562253 326268439 /nfs/dbraw/zinc/26/84/39/326268439.db2.gz CNPILZRPIKPDCY-HNNXBMFYSA-N 1 0 360.414 2.010 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120616661 326273222 /nfs/dbraw/zinc/27/32/22/326273222.db2.gz CSDYSGUWPSCBDQ-TZMCWYRMSA-N 1 0 362.430 2.091 20 5 FEBDRO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000120920882 326299031 /nfs/dbraw/zinc/29/90/31/326299031.db2.gz OEUNFMUHNOSKBY-IINYFYTJSA-N 1 0 350.375 2.224 20 5 FEBDRO Cc1c(CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709748 326360401 /nfs/dbraw/zinc/36/04/01/326360401.db2.gz GVFMBTZURIZZHT-SFHVURJKSA-N 1 0 374.485 2.074 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000123023296 326417776 /nfs/dbraw/zinc/41/77/76/326417776.db2.gz KCTHPQQSVHNPRM-CYBMUJFWSA-N 1 0 370.409 2.461 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000125269265 326468693 /nfs/dbraw/zinc/46/86/93/326468693.db2.gz BMBMSVMEWSTWOX-UHFFFAOYSA-N 1 0 363.462 2.426 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000128977981 326532785 /nfs/dbraw/zinc/53/27/85/326532785.db2.gz RKXRMVTWLCPBLG-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000134448625 326625859 /nfs/dbraw/zinc/62/58/59/326625859.db2.gz FFQLXMYCPWFOFZ-UHFFFAOYSA-N 1 0 365.405 2.451 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000136971734 326656939 /nfs/dbraw/zinc/65/69/39/326656939.db2.gz KYHUCZFUKNEQEF-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000141514528 326665122 /nfs/dbraw/zinc/66/51/22/326665122.db2.gz ZOSCDZMIXHOYNS-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000157346608 326862777 /nfs/dbraw/zinc/86/27/77/326862777.db2.gz CNLXEONROLDOCI-QGZVFWFLSA-N 1 0 372.469 2.434 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000159829315 326943449 /nfs/dbraw/zinc/94/34/49/326943449.db2.gz DWOLGUPTTPTAEU-UHFFFAOYSA-N 1 0 361.373 2.439 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000160150154 326954998 /nfs/dbraw/zinc/95/49/98/326954998.db2.gz DHZXVYDVOUINMU-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)Cc1ccccc1 ZINC000161798806 327009344 /nfs/dbraw/zinc/00/93/44/327009344.db2.gz OKMBURKLCADWIP-OAHLLOKOSA-N 1 0 359.430 2.011 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000162174713 327018718 /nfs/dbraw/zinc/01/87/18/327018718.db2.gz WXYYKBIXKPEEDG-ZDUSSCGKSA-N 1 0 367.471 2.432 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000171655237 327152612 /nfs/dbraw/zinc/15/26/12/327152612.db2.gz YMFOLTZTQAAMDB-UHFFFAOYSA-N 1 0 361.402 2.188 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000171707357 327156720 /nfs/dbraw/zinc/15/67/20/327156720.db2.gz ZJOWFMFADBRPBB-CQSZACIVSA-N 1 0 362.430 2.102 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000171980469 327174330 /nfs/dbraw/zinc/17/43/30/327174330.db2.gz GEPWYPOIDRPEEA-LBPRGKRZSA-N 1 0 367.402 2.363 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172586755 327209675 /nfs/dbraw/zinc/20/96/75/327209675.db2.gz OWLATOZJVAVLGK-HNNXBMFYSA-N 1 0 369.425 2.338 20 5 FEBDRO Cc1nn(CCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c(C)c1[N+](=O)[O-] ZINC000172839765 327221632 /nfs/dbraw/zinc/22/16/32/327221632.db2.gz BPEULAAPENANOJ-OAHLLOKOSA-N 1 0 351.451 2.131 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173244184 327243636 /nfs/dbraw/zinc/24/36/36/327243636.db2.gz PTMOWNADTUXOSL-MFKMUULPSA-N 1 0 361.851 2.209 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173247646 327243914 /nfs/dbraw/zinc/24/39/14/327243914.db2.gz JPPYPIXQADAPGZ-PWSUYJOCSA-N 1 0 361.851 2.209 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173288892 327247458 /nfs/dbraw/zinc/24/74/58/327247458.db2.gz PRKSLGMPLYKDHJ-CSHXORCISA-N 1 0 372.469 2.237 20 5 FEBDRO Cc1cccc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000173290041 327247511 /nfs/dbraw/zinc/24/75/11/327247511.db2.gz DQXCJZTWYJJOFW-MRXNPFEDSA-N 1 0 360.458 2.145 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000173634031 327272513 /nfs/dbraw/zinc/27/25/13/327272513.db2.gz XFZVJTCMTGDNEX-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173955981 327297495 /nfs/dbraw/zinc/29/74/95/327297495.db2.gz DOSZHVXGWQXMPJ-LBPRGKRZSA-N 1 0 359.423 2.086 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173988728 327300104 /nfs/dbraw/zinc/30/01/04/327300104.db2.gz JTHYAZULYPFSNA-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174020412 327302080 /nfs/dbraw/zinc/30/20/80/327302080.db2.gz QQLQBPXASCGNPI-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174184435 327311171 /nfs/dbraw/zinc/31/11/71/327311171.db2.gz BMMJIBOQYHTHSS-CQSZACIVSA-N 1 0 364.446 2.477 20 5 FEBDRO CN1CCN([C@H]2CCCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881806 327357995 /nfs/dbraw/zinc/35/79/95/327357995.db2.gz NEDQCMOEKVLFFG-SFHVURJKSA-N 1 0 362.474 2.076 20 5 FEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000174940662 327362601 /nfs/dbraw/zinc/36/26/01/327362601.db2.gz NFOPZTKZGDNVHO-QGZVFWFLSA-N 1 0 371.441 2.162 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000261656303 328809151 /nfs/dbraw/zinc/80/91/51/328809151.db2.gz NHDOMCMBVPRVLZ-PHDAOHEYSA-N 1 0 369.425 2.416 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000261847802 328824086 /nfs/dbraw/zinc/82/40/86/328824086.db2.gz JEJWHRBZTNDUGZ-CYBMUJFWSA-N 1 0 361.851 2.305 20 5 FEBDRO CC(C)(NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000262831587 328893037 /nfs/dbraw/zinc/89/30/37/328893037.db2.gz QKPOXYHFICCOEF-OAHLLOKOSA-N 1 0 357.414 2.381 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000262836618 328893478 /nfs/dbraw/zinc/89/34/78/328893478.db2.gz WJAONUFFWURRSW-NWDGAFQWSA-N 1 0 353.444 2.045 20 5 FEBDRO COc1cc(CCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c([N+](=O)[O-])cc1OC ZINC000263126803 328917986 /nfs/dbraw/zinc/91/79/86/328917986.db2.gz BJENJWFLDGPKLX-ACJLOTCBSA-N 1 0 365.430 2.178 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264582456 329037711 /nfs/dbraw/zinc/03/77/11/329037711.db2.gz JWSPXNRKVGKUAO-HNNXBMFYSA-N 1 0 353.444 2.152 20 5 FEBDRO CN1CC[N@H+](C)C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968912 329079492 /nfs/dbraw/zinc/07/94/92/329079492.db2.gz QDVDTGOXJDNAIN-MRXNPFEDSA-N 1 0 361.471 2.054 20 5 FEBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265116743 329092522 /nfs/dbraw/zinc/09/25/22/329092522.db2.gz MIJNSTPXTGUNLX-UHFFFAOYSA-N 1 0 373.457 2.080 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000265917350 329172625 /nfs/dbraw/zinc/17/26/25/329172625.db2.gz AWXXJLGDVBMFGP-CYBMUJFWSA-N 1 0 363.414 2.170 20 5 FEBDRO COc1cc(C(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1OC ZINC000266070374 329187206 /nfs/dbraw/zinc/18/72/06/329187206.db2.gz KYQPWHCBJGEBAN-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068653 329288615 /nfs/dbraw/zinc/28/86/15/329288615.db2.gz VHSBLCCSNCRHKI-GXTWGEPZSA-N 1 0 353.394 2.097 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528215 329431177 /nfs/dbraw/zinc/43/11/77/329431177.db2.gz CZRPTMNUOOZHPD-AWEZNQCLSA-N 1 0 364.446 2.190 20 5 FEBDRO C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)nc2)CC1 ZINC000268703126 329447736 /nfs/dbraw/zinc/44/77/36/329447736.db2.gz HCMVWKAEUMUNCB-UHFFFAOYSA-N 1 0 358.402 2.101 20 5 FEBDRO C[NH2+][C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269125855 329488238 /nfs/dbraw/zinc/48/82/38/329488238.db2.gz LZBQZLILBSTAHC-LLVKDONJSA-N 1 0 360.336 2.236 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000270062310 329571914 /nfs/dbraw/zinc/57/19/14/329571914.db2.gz FSXVNMXNWPLTQT-CQSZACIVSA-N 1 0 362.430 2.335 20 5 FEBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C[C@@H]1[NH+](C)C ZINC000271584844 329705555 /nfs/dbraw/zinc/70/55/55/329705555.db2.gz FIIKBQDNGXIMPT-LSDHHAIUSA-N 1 0 366.443 2.033 20 5 FEBDRO COc1cc(C(=O)NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000272527244 329788455 /nfs/dbraw/zinc/78/84/55/329788455.db2.gz MLYDLQRDXVYNEI-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862878 329818876 /nfs/dbraw/zinc/81/88/76/329818876.db2.gz SEWVSVBIEFOTJJ-FZKQIMNGSA-N 1 0 374.441 2.277 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000273908769 329901783 /nfs/dbraw/zinc/90/17/83/329901783.db2.gz AHKXKSWDNJBFEU-STQMWFEESA-N 1 0 351.403 2.409 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089797 329914848 /nfs/dbraw/zinc/91/48/48/329914848.db2.gz TYLLEFYHHNQXAG-UWVGGRQHSA-N 1 0 357.794 2.364 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000274106493 329916006 /nfs/dbraw/zinc/91/60/06/329916006.db2.gz VHWORSBEFLAQHJ-OLZOCXBDSA-N 1 0 351.403 2.409 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000274598279 329963665 /nfs/dbraw/zinc/96/36/65/329963665.db2.gz HBIIRGHYFUXUIE-OCCSQVGLSA-N 1 0 364.402 2.132 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000275131092 330013652 /nfs/dbraw/zinc/01/36/52/330013652.db2.gz OOGXDPHZBXPBHV-LSDHHAIUSA-N 1 0 353.419 2.386 20 5 FEBDRO CCc1[nH]nc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1[N+](=O)[O-] ZINC000275302547 330032680 /nfs/dbraw/zinc/03/26/80/330032680.db2.gz NASLBAQPXOAZKH-GFCCVEGCSA-N 1 0 372.429 2.351 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275438704 330048862 /nfs/dbraw/zinc/04/88/62/330048862.db2.gz JYQYRUNTYWHXRZ-HNNXBMFYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000276274745 330136115 /nfs/dbraw/zinc/13/61/15/330136115.db2.gz DIGBUGDXRWGTDX-LBPRGKRZSA-N 1 0 351.403 2.167 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276604605 330169291 /nfs/dbraw/zinc/16/92/91/330169291.db2.gz OUOTYCFYBHOQAN-UHFFFAOYSA-N 1 0 368.865 2.314 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299697085 330199222 /nfs/dbraw/zinc/19/92/22/330199222.db2.gz OLVLWHILIAXMON-ZIAGYGMSSA-N 1 0 362.430 2.091 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1C1CC[NH+](C)CC1 ZINC000371457497 330243983 /nfs/dbraw/zinc/24/39/83/330243983.db2.gz IOOJZTBPQBWRDN-WHWKNOJMSA-N 1 0 372.469 2.235 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000555414657 674360204 /nfs/dbraw/zinc/36/02/04/674360204.db2.gz BHNQAHZTUPAGOG-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO COC(=O)c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000477953656 561156950 /nfs/dbraw/zinc/15/69/50/561156950.db2.gz CUKHLCINQUYIRH-UHFFFAOYSA-N 1 0 361.398 2.128 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000159447349 545954075 /nfs/dbraw/zinc/95/40/75/545954075.db2.gz QEUXLLBMRDYFQV-CQSZACIVSA-N 1 0 361.402 2.139 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159803749 545981663 /nfs/dbraw/zinc/98/16/63/545981663.db2.gz PDGXVIRWSPBNAK-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000160294984 546026999 /nfs/dbraw/zinc/02/69/99/546026999.db2.gz WGXWEAOVJPLMJC-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160525207 546049003 /nfs/dbraw/zinc/04/90/03/546049003.db2.gz QYEKZFCAAMTIOM-ZWKOTPCHSA-N 1 0 361.442 2.021 20 5 FEBDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000479539568 561191601 /nfs/dbraw/zinc/19/16/01/561191601.db2.gz KCYYIVYFMPABQW-PBHICJAKSA-N 1 0 367.471 2.455 20 5 FEBDRO Cc1c(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000480058196 561202192 /nfs/dbraw/zinc/20/21/92/561202192.db2.gz NBYOYOAXKOWGJD-UHFFFAOYSA-N 1 0 364.446 2.155 20 5 FEBDRO C[C@@H](CN1CCOCC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176228746 546422257 /nfs/dbraw/zinc/42/22/57/546422257.db2.gz RBSQKFWKRBQXLU-KRWDZBQOSA-N 1 0 373.457 2.014 20 5 FEBDRO CCOC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000176310446 546430024 /nfs/dbraw/zinc/43/00/24/546430024.db2.gz CTTMQBXOYAZDJU-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511149 561210926 /nfs/dbraw/zinc/21/09/26/561210926.db2.gz LSPWBQOIIKCXST-CQSZACIVSA-N 1 0 357.414 2.454 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000176899789 546504492 /nfs/dbraw/zinc/50/44/92/546504492.db2.gz XTPAKDFKUNAYRJ-LBPRGKRZSA-N 1 0 355.460 2.403 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000176978643 546518289 /nfs/dbraw/zinc/51/82/89/546518289.db2.gz VLAWHTHMTDTQRS-UHFFFAOYSA-N 1 0 362.411 2.197 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000480661308 561213896 /nfs/dbraw/zinc/21/38/96/561213896.db2.gz ICBWAXXDUFCNOU-CYBMUJFWSA-N 1 0 360.414 2.418 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000480854663 561218332 /nfs/dbraw/zinc/21/83/32/561218332.db2.gz ONSLHWDRQPCNMS-KBPBESRZSA-N 1 0 353.444 2.008 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177861053 546697942 /nfs/dbraw/zinc/69/79/42/546697942.db2.gz PODNJSQWVSXVFI-ZDUSSCGKSA-N 1 0 350.419 2.087 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481379476 561231746 /nfs/dbraw/zinc/23/17/46/561231746.db2.gz ZSOMTSZZCZAMCU-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCN1CCOC(C)(C)C1 ZINC000178761843 546845505 /nfs/dbraw/zinc/84/55/05/546845505.db2.gz OKSZTQNHPLGLJL-CQSZACIVSA-N 1 0 364.446 2.012 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000178931091 546875726 /nfs/dbraw/zinc/87/57/26/546875726.db2.gz RSSBJORQGUUILE-QGZVFWFLSA-N 1 0 350.438 2.336 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000180064787 547046703 /nfs/dbraw/zinc/04/67/03/547046703.db2.gz AXGYCHRWLRNIIT-NEPJUHHUSA-N 1 0 373.862 2.414 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000180479447 547114394 /nfs/dbraw/zinc/11/43/94/547114394.db2.gz VTQQNVRONNZIDF-LJQANCHMSA-N 1 0 369.421 2.482 20 5 FEBDRO Cc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000482894597 561262537 /nfs/dbraw/zinc/26/25/37/561262537.db2.gz CSPIHBJTSMXDKK-HNNXBMFYSA-N 1 0 362.474 2.497 20 5 FEBDRO C[C@@H](CO)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000483137539 561268485 /nfs/dbraw/zinc/26/84/85/561268485.db2.gz LRLZZAYURCLQNV-ZDUSSCGKSA-N 1 0 363.414 2.376 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000181725751 547368488 /nfs/dbraw/zinc/36/84/88/547368488.db2.gz FUXAYRBZFSTTPX-MRXNPFEDSA-N 1 0 355.460 2.138 20 5 FEBDRO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831310 547388077 /nfs/dbraw/zinc/38/80/77/547388077.db2.gz KFWIHAQSYGSLTH-HIFRSBDPSA-N 1 0 365.430 2.258 20 5 FEBDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCOCC1 ZINC000182026443 547424600 /nfs/dbraw/zinc/42/46/00/547424600.db2.gz GMATUFVFPSVWTB-CQSZACIVSA-N 1 0 367.833 2.319 20 5 FEBDRO C[N@H+](CCOc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190428 547450143 /nfs/dbraw/zinc/45/01/43/547450143.db2.gz XVVVFVFXWAOSJC-OAHLLOKOSA-N 1 0 364.373 2.484 20 5 FEBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229909 547457038 /nfs/dbraw/zinc/45/70/38/547457038.db2.gz ZAWBHXKGGXVMKS-ZFWWWQNUSA-N 1 0 360.414 2.077 20 5 FEBDRO CC1CC[NH+](Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)CC1 ZINC000484260626 561294812 /nfs/dbraw/zinc/29/48/12/561294812.db2.gz ZCXYWCJJPOWJLZ-UHFFFAOYSA-N 1 0 358.402 2.057 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000183459545 547664397 /nfs/dbraw/zinc/66/43/97/547664397.db2.gz FAADADJSJVLLFB-GHMZBOCLSA-N 1 0 361.402 2.323 20 5 FEBDRO CC1([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183857277 547730134 /nfs/dbraw/zinc/73/01/34/547730134.db2.gz NIWWMUXADSXBQK-CQSZACIVSA-N 1 0 363.414 2.398 20 5 FEBDRO Cc1sc(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000184196018 547784568 /nfs/dbraw/zinc/78/45/68/547784568.db2.gz NWJRDZLIZGBGKL-UHFFFAOYSA-N 1 0 354.476 2.111 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000184239683 547792843 /nfs/dbraw/zinc/79/28/43/547792843.db2.gz VFNNTRMWRHSXCV-CQSZACIVSA-N 1 0 355.460 2.136 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000184341187 547810246 /nfs/dbraw/zinc/81/02/46/547810246.db2.gz FQRATFKLVAYSHO-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184475724 547832097 /nfs/dbraw/zinc/83/20/97/547832097.db2.gz ADGBRZSCWODCBP-ZDUSSCGKSA-N 1 0 365.405 2.161 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000185099994 547934261 /nfs/dbraw/zinc/93/42/61/547934261.db2.gz RWVAICOIABBPQD-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CC(C)C[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000185142440 547939664 /nfs/dbraw/zinc/93/96/64/547939664.db2.gz KONRRURHYWPUEX-UHFFFAOYSA-N 1 0 352.410 2.336 20 5 FEBDRO C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000185158719 547943862 /nfs/dbraw/zinc/94/38/62/547943862.db2.gz KAPMFRAAHZZARG-DZGCQCFKSA-N 1 0 367.421 2.407 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185169329 547945679 /nfs/dbraw/zinc/94/56/79/547945679.db2.gz LYQRXMVYKARBCT-CYBMUJFWSA-N 1 0 367.421 2.455 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179070 547946909 /nfs/dbraw/zinc/94/69/09/547946909.db2.gz NWKWMNUCDBMINL-GXTWGEPZSA-N 1 0 353.394 2.064 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)nc1-c1ccc(F)cc1 ZINC000485394338 561318212 /nfs/dbraw/zinc/31/82/12/561318212.db2.gz VXKACQMDAWXIPR-UHFFFAOYSA-N 1 0 360.389 2.300 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000185435956 547984509 /nfs/dbraw/zinc/98/45/09/547984509.db2.gz TZICNXCOHVMEBR-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185469740 547988993 /nfs/dbraw/zinc/98/89/93/547988993.db2.gz QNXJVJDUAKHTMX-KBPBESRZSA-N 1 0 365.405 2.018 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000485596816 561323546 /nfs/dbraw/zinc/32/35/46/561323546.db2.gz UJSVDJLRLRYCAO-GFCCVEGCSA-N 1 0 366.393 2.451 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186961854 548228599 /nfs/dbraw/zinc/22/85/99/548228599.db2.gz HTXKCZPTFDQJLM-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@@H+]1CCOC ZINC000486931659 561359891 /nfs/dbraw/zinc/35/98/91/561359891.db2.gz FTCDVDAWUQMBDL-CQSZACIVSA-N 1 0 361.402 2.192 20 5 FEBDRO CC[C@@H]1CN(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000487210811 561366228 /nfs/dbraw/zinc/36/62/28/561366228.db2.gz YHVBNEQQYJQFHL-CQSZACIVSA-N 1 0 359.373 2.397 20 5 FEBDRO CCC1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236643215 548770113 /nfs/dbraw/zinc/77/01/13/548770113.db2.gz CNJVJVMTMDPYBA-UHFFFAOYSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000237037326 548795820 /nfs/dbraw/zinc/79/58/20/548795820.db2.gz ZNXIZSZGFSAFGI-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO CC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237055741 548797085 /nfs/dbraw/zinc/79/70/85/548797085.db2.gz SQRGTHZRJXQPFZ-UONOGXRCSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000237269350 548813683 /nfs/dbraw/zinc/81/36/83/548813683.db2.gz XSZGLLFYLMHEPC-ULKQDVFKSA-N 1 0 371.340 2.218 20 5 FEBDRO CS(=O)(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237384988 548823300 /nfs/dbraw/zinc/82/33/00/548823300.db2.gz DAOOXQBLGWIIKF-UHFFFAOYSA-N 1 0 373.818 2.147 20 5 FEBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237498411 548830388 /nfs/dbraw/zinc/83/03/88/548830388.db2.gz CYVQGIPYFDVQFQ-ONGXEEELSA-N 1 0 356.220 2.238 20 5 FEBDRO CC(C)[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487953543 561379879 /nfs/dbraw/zinc/37/98/79/561379879.db2.gz RISSLKYOKDHZMR-HNNXBMFYSA-N 1 0 354.838 2.459 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245869056 549006493 /nfs/dbraw/zinc/00/64/93/549006493.db2.gz GPWUFZHDHALEOS-GOEBONIOSA-N 1 0 369.487 2.129 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246959574 549252214 /nfs/dbraw/zinc/25/22/14/549252214.db2.gz INNSLAKYICPIRK-HOCLYGCPSA-N 1 0 367.471 2.316 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247245311 549306052 /nfs/dbraw/zinc/30/60/52/549306052.db2.gz ZEMJDCRQXPOKIC-DGCLKSJQSA-N 1 0 373.862 2.353 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248035844 549401446 /nfs/dbraw/zinc/40/14/46/549401446.db2.gz RRAJWBLCTLMCBJ-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248409660 549431416 /nfs/dbraw/zinc/43/14/16/549431416.db2.gz XCDWSPSIAJWYSP-UONOGXRCSA-N 1 0 365.434 2.248 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249832741 549632751 /nfs/dbraw/zinc/63/27/51/549632751.db2.gz PUXLQLUTHTVPGG-AZUAARDMSA-N 1 0 371.437 2.323 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000253554027 549694933 /nfs/dbraw/zinc/69/49/33/549694933.db2.gz MERHTPXYRYDQPK-SJKOYZFVSA-N 1 0 370.409 2.405 20 5 FEBDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255553363 549707493 /nfs/dbraw/zinc/70/74/93/549707493.db2.gz UZBUDPOECWFCEM-QKIRZYONSA-N 1 0 367.471 2.402 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261766811 549753259 /nfs/dbraw/zinc/75/32/59/549753259.db2.gz QIRIAMFOZMHVCV-GHMZBOCLSA-N 1 0 361.851 2.223 20 5 FEBDRO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000261912665 549769227 /nfs/dbraw/zinc/76/92/27/549769227.db2.gz ZYMRZGQYIJQVOH-DOMZBBRYSA-N 1 0 373.413 2.414 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000264053955 549973037 /nfs/dbraw/zinc/97/30/37/549973037.db2.gz FSVYGBHDEJHMGN-UHFFFAOYSA-N 1 0 372.429 2.245 20 5 FEBDRO COc1cccc(C=C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000268509146 550079117 /nfs/dbraw/zinc/07/91/17/550079117.db2.gz UJJRPMAUCHFITR-SFHVURJKSA-N 1 0 372.425 2.340 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999337 550142601 /nfs/dbraw/zinc/14/26/01/550142601.db2.gz JNHJANSWYDSAPT-TZMCWYRMSA-N 1 0 363.414 2.168 20 5 FEBDRO [NH3+]CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CCCC1 ZINC000269149375 550160771 /nfs/dbraw/zinc/16/07/71/550160771.db2.gz NDWRNIVGJFCSPE-UHFFFAOYSA-N 1 0 360.183 2.498 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000269155606 550161821 /nfs/dbraw/zinc/16/18/21/550161821.db2.gz RKHVYEYPIVNOSQ-UHFFFAOYSA-N 1 0 360.458 2.113 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000493953910 561459838 /nfs/dbraw/zinc/45/98/38/561459838.db2.gz XTJLKLYAKNEZEQ-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493967484 561460114 /nfs/dbraw/zinc/46/01/14/561460114.db2.gz GSWSLNPVKZVWLZ-UHFFFAOYSA-N 1 0 351.451 2.294 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000270743863 550302845 /nfs/dbraw/zinc/30/28/45/550302845.db2.gz YGKAHTUJOOBZMA-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000270893360 550317875 /nfs/dbraw/zinc/31/78/75/550317875.db2.gz PTWUNYAQNLDSPC-UHFFFAOYSA-N 1 0 372.425 2.108 20 5 FEBDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248346 561465639 /nfs/dbraw/zinc/46/56/39/561465639.db2.gz QXANNAAHNVWJKN-XPTSAGLGSA-N 1 0 372.219 2.453 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000272298046 550435818 /nfs/dbraw/zinc/43/58/18/550435818.db2.gz IGKVPHSMDTUHOV-KGLIPLIRSA-N 1 0 355.460 2.225 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272330695 550438333 /nfs/dbraw/zinc/43/83/33/550438333.db2.gz LMGQVRXADWYGME-NEPJUHHUSA-N 1 0 361.427 2.298 20 5 FEBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538939 550456511 /nfs/dbraw/zinc/45/65/11/550456511.db2.gz RONGCKMOZDWFHZ-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@@H]1[NH+]1CCCC1 ZINC000274187954 550527004 /nfs/dbraw/zinc/52/70/04/550527004.db2.gz LGPDTCXCQNPUPD-LSDHHAIUSA-N 1 0 364.471 2.137 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)c2sccc2C)c([N+](=O)[O-])c1 ZINC000494626695 561472806 /nfs/dbraw/zinc/47/28/06/561472806.db2.gz SAQIUPZIENDUNY-ZDUSSCGKSA-N 1 0 365.411 2.235 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274847382 550558977 /nfs/dbraw/zinc/55/89/77/550558977.db2.gz AICDPGJTOPLUIS-NWDGAFQWSA-N 1 0 367.475 2.093 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000494686810 561474301 /nfs/dbraw/zinc/47/43/01/561474301.db2.gz SNLPQFLCLNLOGH-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000276906380 550609666 /nfs/dbraw/zinc/60/96/66/550609666.db2.gz FADFNKYPSJAEGK-HIFRSBDPSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000277044292 550625536 /nfs/dbraw/zinc/62/55/36/550625536.db2.gz HOSZDURRGSGGLT-GOEBONIOSA-N 1 0 365.455 2.255 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H](C)CC[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000277108816 550633008 /nfs/dbraw/zinc/63/30/08/550633008.db2.gz FRLVMFXGMVLJBE-SNVBAGLBSA-N 1 0 352.391 2.152 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000277256811 550648376 /nfs/dbraw/zinc/64/83/76/550648376.db2.gz KXIQTECFANUBOY-GFCCVEGCSA-N 1 0 358.398 2.405 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277781129 550713395 /nfs/dbraw/zinc/71/33/95/550713395.db2.gz UHLZDHUXJVUAKH-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO CS[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000278314462 550771911 /nfs/dbraw/zinc/77/19/11/550771911.db2.gz HKBNUDNABJBVTG-GHMZBOCLSA-N 1 0 350.366 2.490 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107593 550854735 /nfs/dbraw/zinc/85/47/35/550854735.db2.gz BMLPXJHCNWBXRF-DOMZBBRYSA-N 1 0 364.421 2.356 20 5 FEBDRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279142825 550858391 /nfs/dbraw/zinc/85/83/91/550858391.db2.gz RZKMIFQUVHAUGO-GOSISDBHSA-N 1 0 374.485 2.459 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+]1C ZINC000279154026 550859433 /nfs/dbraw/zinc/85/94/33/550859433.db2.gz HPFPYZBHVSQHDV-VXGBXAGGSA-N 1 0 352.410 2.355 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000279236790 550868072 /nfs/dbraw/zinc/86/80/72/550868072.db2.gz JQIFWFHAQOFFOW-TZMCWYRMSA-N 1 0 351.403 2.073 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)cc1[N+](=O)[O-] ZINC000280867411 551040628 /nfs/dbraw/zinc/04/06/28/551040628.db2.gz COWSTEIUYGJARE-OLZOCXBDSA-N 1 0 357.414 2.112 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280923313 551045920 /nfs/dbraw/zinc/04/59/20/551045920.db2.gz DTJBHBHWZKNOCE-OIRASMEMSA-N 1 0 353.444 2.203 20 5 FEBDRO Cc1c(C(=O)NC2(C[NH+](C)C)CCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000280977029 551051285 /nfs/dbraw/zinc/05/12/85/551051285.db2.gz AVFFICOKKGRNAX-UHFFFAOYSA-N 1 0 350.375 2.334 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000496261020 561493255 /nfs/dbraw/zinc/49/32/55/561493255.db2.gz HBIMUZITMNQOFK-HNNXBMFYSA-N 1 0 357.414 2.445 20 5 FEBDRO CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000281296950 551082428 /nfs/dbraw/zinc/08/24/28/551082428.db2.gz YKIHKVWKBLSAQH-MLGOLLRUSA-N 1 0 357.414 2.194 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCC[NH+]1CCCC1 ZINC000281341975 551086450 /nfs/dbraw/zinc/08/64/50/551086450.db2.gz MNZDNAGLIGYJLZ-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000281939720 551160598 /nfs/dbraw/zinc/16/05/98/551160598.db2.gz BKXSCLDGGFZVMF-KZULUSFZSA-N 1 0 363.414 2.363 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000282107908 551181303 /nfs/dbraw/zinc/18/13/03/551181303.db2.gz ZYRLTRZDXVKCCD-LBPRGKRZSA-N 1 0 351.403 2.203 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000284448581 551551320 /nfs/dbraw/zinc/55/13/20/551551320.db2.gz QTTFJNNGLBEKDY-HUUCEWRRSA-N 1 0 353.444 2.111 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000498556493 561528230 /nfs/dbraw/zinc/52/82/30/561528230.db2.gz QHYBHGJLYTYFBM-KBPBESRZSA-N 1 0 372.425 2.463 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285267317 551729094 /nfs/dbraw/zinc/72/90/94/551729094.db2.gz XZKQXRBQOUVZRC-GFCCVEGCSA-N 1 0 351.403 2.409 20 5 FEBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000498918471 561537954 /nfs/dbraw/zinc/53/79/54/561537954.db2.gz QIAOJPQLQDSEMF-CYBMUJFWSA-N 1 0 357.414 2.090 20 5 FEBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1Cc1ccccc1 ZINC000285861022 551819889 /nfs/dbraw/zinc/81/98/89/551819889.db2.gz YYZXARKXBWMISM-AWEZNQCLSA-N 1 0 372.400 2.315 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)c1 ZINC000286337291 551875794 /nfs/dbraw/zinc/87/57/94/551875794.db2.gz BOXGLAOZWQLXJV-UHFFFAOYSA-N 1 0 372.410 2.330 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286569672 551900922 /nfs/dbraw/zinc/90/09/22/551900922.db2.gz DYWMRQWRMGCHJF-BXUZGUMPSA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000286720364 551918520 /nfs/dbraw/zinc/91/85/20/551918520.db2.gz NGCUHBHBKRZJMG-JSGCOSHPSA-N 1 0 371.434 2.290 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC(COc2ccccc2)C1 ZINC000287239359 551979901 /nfs/dbraw/zinc/97/99/01/551979901.db2.gz ONCUGSLMEXLPIU-INIZCTEOSA-N 1 0 358.394 2.345 20 5 FEBDRO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCC[NH+]2CCCCC2)C1=O ZINC000288601126 552182802 /nfs/dbraw/zinc/18/28/02/552182802.db2.gz MQJSNBJLWUZUDO-SFHVURJKSA-N 1 0 360.414 2.238 20 5 FEBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000288642244 552190631 /nfs/dbraw/zinc/19/06/31/552190631.db2.gz ATBMHSGOGCCAML-OAHLLOKOSA-N 1 0 351.790 2.387 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000289007992 552251629 /nfs/dbraw/zinc/25/16/29/552251629.db2.gz MWIBLGQXWSNGMO-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500153175 561566998 /nfs/dbraw/zinc/56/69/98/561566998.db2.gz YCWOHWSROPCOHT-LBPRGKRZSA-N 1 0 359.423 2.277 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000289572350 552342766 /nfs/dbraw/zinc/34/27/66/552342766.db2.gz JNOWDLMDWRPFIS-DTVQEZCTSA-N 1 0 360.414 2.026 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289858407 552390229 /nfs/dbraw/zinc/39/02/29/552390229.db2.gz CNLNAONVAJRCGK-NXEZZACHSA-N 1 0 354.204 2.039 20 5 FEBDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000500753190 561581267 /nfs/dbraw/zinc/58/12/67/561581267.db2.gz YKIDLWABVMDYAS-UHFFFAOYSA-N 1 0 358.398 2.202 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000290924606 552563481 /nfs/dbraw/zinc/56/34/81/552563481.db2.gz MVOUZGOYNYUZIO-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO NC(=O)c1ccnc(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000291011028 552576067 /nfs/dbraw/zinc/57/60/67/552576067.db2.gz WGZDEBVWIVERKI-UHFFFAOYSA-N 1 0 361.446 2.181 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C[NH+](C)C)CC1 ZINC000501189057 561592205 /nfs/dbraw/zinc/59/22/05/561592205.db2.gz VFQRNMZZADJDOQ-UHFFFAOYSA-N 1 0 355.460 2.120 20 5 FEBDRO COCCCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)C1CC[NH+](C)CC1 ZINC000291296609 552611744 /nfs/dbraw/zinc/61/17/44/552611744.db2.gz SZYUSGMMBGKOON-UHFFFAOYSA-N 1 0 363.458 2.405 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291820853 552665097 /nfs/dbraw/zinc/66/50/97/552665097.db2.gz NVFBBIXANPPLRX-LBPRGKRZSA-N 1 0 357.357 2.181 20 5 FEBDRO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292444665 552727227 /nfs/dbraw/zinc/72/72/27/552727227.db2.gz XHHSLVIZRQRCEP-OAHLLOKOSA-N 1 0 360.458 2.364 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000293042706 552783625 /nfs/dbraw/zinc/78/36/25/552783625.db2.gz MGXUXTQORRHEIZ-QGZVFWFLSA-N 1 0 365.430 2.319 20 5 FEBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000293991698 552873326 /nfs/dbraw/zinc/87/33/26/552873326.db2.gz SMZHJEUBFPPJJS-UHFFFAOYSA-N 1 0 350.375 2.499 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294223556 552889267 /nfs/dbraw/zinc/88/92/67/552889267.db2.gz RFNXKOKDRPWDPS-KRWDZBQOSA-N 1 0 362.386 2.369 20 5 FEBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CCN(C2CCC2)CC1 ZINC000294860618 552939479 /nfs/dbraw/zinc/93/94/79/552939479.db2.gz AUCGDRJGOVUSDE-UHFFFAOYSA-N 1 0 355.398 2.295 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295034824 552952847 /nfs/dbraw/zinc/95/28/47/552952847.db2.gz MBVOZICHPBYIGX-GFCCVEGCSA-N 1 0 367.427 2.272 20 5 FEBDRO Cn1ccnc1[C@@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295202521 552969217 /nfs/dbraw/zinc/96/92/17/552969217.db2.gz FLODWSHEEZHIRY-ZDUSSCGKSA-N 1 0 350.400 2.100 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000295242012 552974341 /nfs/dbraw/zinc/97/43/41/552974341.db2.gz LSKWJSZSJLSNHA-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1cc(NCC[NH+]2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295992914 553086027 /nfs/dbraw/zinc/08/60/27/553086027.db2.gz LZWWJMFLPXPSBP-UHFFFAOYSA-N 1 0 357.414 2.229 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000296267092 553131941 /nfs/dbraw/zinc/13/19/41/553131941.db2.gz YCNKIIHOZFNBKS-GFCCVEGCSA-N 1 0 361.402 2.499 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000296482009 553167316 /nfs/dbraw/zinc/16/73/16/553167316.db2.gz YJLMUGLRPPOLCK-KBRIMQKVSA-N 1 0 350.415 2.272 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000502720928 561623883 /nfs/dbraw/zinc/62/38/83/561623883.db2.gz HVLUMVWZVZCURC-HOTGVXAUSA-N 1 0 366.393 2.451 20 5 FEBDRO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296683289 553197620 /nfs/dbraw/zinc/19/76/20/553197620.db2.gz XNKMKCTUAONYTC-KFWWJZLASA-N 1 0 364.446 2.454 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000296780974 553210652 /nfs/dbraw/zinc/21/06/52/553210652.db2.gz CUVRCLKVRCJXIG-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000502834257 561626885 /nfs/dbraw/zinc/62/68/85/561626885.db2.gz QZPVVUBUKIZABA-LSDHHAIUSA-N 1 0 358.398 2.297 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296855435 553221010 /nfs/dbraw/zinc/22/10/10/553221010.db2.gz TYZXNFCRMFRVQO-CHWSQXEVSA-N 1 0 353.419 2.473 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000297087648 553251894 /nfs/dbraw/zinc/25/18/94/553251894.db2.gz QVKHVMWWOOXYJT-GOOCMWNKSA-N 1 0 361.398 2.127 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297463797 553296039 /nfs/dbraw/zinc/29/60/39/553296039.db2.gz NFEDKFFJCWCBHD-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923496 553358134 /nfs/dbraw/zinc/35/81/34/553358134.db2.gz QPKGJAWMTGDPBB-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[NH+]2CCCC2)c1 ZINC000298846674 553480545 /nfs/dbraw/zinc/48/05/45/553480545.db2.gz ARHMQRYVVSHOKE-MRXNPFEDSA-N 1 0 358.398 2.498 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000298885470 553485112 /nfs/dbraw/zinc/48/51/12/553485112.db2.gz KQENIWVXUOBLNN-UHFFFAOYSA-N 1 0 374.441 2.141 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](CCO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000298909101 553488056 /nfs/dbraw/zinc/48/80/56/553488056.db2.gz NADIMBYTPYFCKJ-OAHLLOKOSA-N 1 0 353.419 2.319 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000299255836 553537850 /nfs/dbraw/zinc/53/78/50/553537850.db2.gz KUVYPCTWDZDESK-UHFFFAOYSA-N 1 0 359.430 2.128 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000299379988 553555446 /nfs/dbraw/zinc/55/54/46/553555446.db2.gz SOYQZBIFBVRUEJ-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000299627177 553591300 /nfs/dbraw/zinc/59/13/00/553591300.db2.gz XRYPTCVMQLPYTM-LBPRGKRZSA-N 1 0 363.443 2.330 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C1 ZINC000301304050 553640478 /nfs/dbraw/zinc/64/04/78/553640478.db2.gz SSUOQFYLPGMWKH-KRWDZBQOSA-N 1 0 355.442 2.359 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CCO)CC2)c(Br)c1 ZINC000301409467 553649603 /nfs/dbraw/zinc/64/96/03/553649603.db2.gz ODLUFGPVNXHZPZ-UHFFFAOYSA-N 1 0 358.236 2.474 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000301349217 553644409 /nfs/dbraw/zinc/64/44/09/553644409.db2.gz IGFARZPPXLGOSO-INIZCTEOSA-N 1 0 370.475 2.165 20 5 FEBDRO Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301712741 553673585 /nfs/dbraw/zinc/67/35/85/553673585.db2.gz LJXLLOPJESZYCY-JKSUJKDBSA-N 1 0 368.441 2.458 20 5 FEBDRO Cc1nn(C)c(NC2CC[NH+](CC3(O)CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301831748 553683549 /nfs/dbraw/zinc/68/35/49/553683549.db2.gz IOCVECXAEVKQSF-UHFFFAOYSA-N 1 0 351.451 2.208 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301860967 553686232 /nfs/dbraw/zinc/68/62/32/553686232.db2.gz DPXZDYTWPAQCPK-CQSZACIVSA-N 1 0 367.471 2.311 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301906303 553691017 /nfs/dbraw/zinc/69/10/17/553691017.db2.gz ZEEZTTLYGJDEIG-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302483473 553718477 /nfs/dbraw/zinc/71/84/77/553718477.db2.gz WYDHGKMADPWONN-LJQANCHMSA-N 1 0 356.426 2.371 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330583497 554141514 /nfs/dbraw/zinc/14/15/14/554141514.db2.gz KLUMPXPBFBEXDB-GHMZBOCLSA-N 1 0 370.247 2.451 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1SC ZINC000330629858 554148159 /nfs/dbraw/zinc/14/81/59/554148159.db2.gz BUQUNCVEJZGHNY-NSHDSACASA-N 1 0 353.444 2.492 20 5 FEBDRO COc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000508229325 561755942 /nfs/dbraw/zinc/75/59/42/561755942.db2.gz CNCNJPMGJFUOMD-UHFFFAOYSA-N 1 0 368.409 2.097 20 5 FEBDRO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508518452 561764383 /nfs/dbraw/zinc/76/43/83/561764383.db2.gz DZFSYBLOOKPKSD-MRXNPFEDSA-N 1 0 356.430 2.455 20 5 FEBDRO O=C1COc2ccc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2N1 ZINC000508677491 561769377 /nfs/dbraw/zinc/76/93/77/561769377.db2.gz HLUMVXHDVYJYSE-ZDUSSCGKSA-N 1 0 369.381 2.007 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331222109 554232956 /nfs/dbraw/zinc/23/29/56/554232956.db2.gz CKLZLFGMYGWDLH-LBPRGKRZSA-N 1 0 359.423 2.193 20 5 FEBDRO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000331363160 554251012 /nfs/dbraw/zinc/25/10/12/554251012.db2.gz AEBQXLDKCNTVMK-MEQKGCOVSA-N 1 0 359.426 2.057 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000332075352 554374655 /nfs/dbraw/zinc/37/46/55/554374655.db2.gz FRDRMJHSQMRGEF-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000332085525 554376868 /nfs/dbraw/zinc/37/68/68/554376868.db2.gz QPLJJSVZPZDPKT-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[N+](=O)[O-] ZINC000332085527 554377255 /nfs/dbraw/zinc/37/72/55/554377255.db2.gz QPLJJSVZPZDPKT-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000332199022 554399539 /nfs/dbraw/zinc/39/95/39/554399539.db2.gz BPBAMMHLGNJYFR-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332216582 554402796 /nfs/dbraw/zinc/40/27/96/554402796.db2.gz ISWTWRXNYLAJJV-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000332224891 554404689 /nfs/dbraw/zinc/40/46/89/554404689.db2.gz LXBLMMOJTVIDCW-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000332337586 554428342 /nfs/dbraw/zinc/42/83/42/554428342.db2.gz WDZHPFVRAZPWOT-GJZGRUSLSA-N 1 0 370.247 2.262 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000510967130 561852505 /nfs/dbraw/zinc/85/25/05/561852505.db2.gz KELMRNLDTBYEEF-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000511072645 561855801 /nfs/dbraw/zinc/85/58/01/561855801.db2.gz GNOHTCFSEZICLZ-OAHLLOKOSA-N 1 0 374.393 2.238 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000511127894 561858262 /nfs/dbraw/zinc/85/82/62/561858262.db2.gz XRKBWPFIUYXZKK-UHFFFAOYSA-N 1 0 371.353 2.351 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000511344014 561866059 /nfs/dbraw/zinc/86/60/59/561866059.db2.gz OFJYJTRYMWTMCP-UHFFFAOYSA-N 1 0 369.487 2.275 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391122 554920304 /nfs/dbraw/zinc/92/03/04/554920304.db2.gz IPXCPWFJGUWTBA-HZMBPMFUSA-N 1 0 363.443 2.365 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000363145915 555039833 /nfs/dbraw/zinc/03/98/33/555039833.db2.gz UDNRWCIUBGZKMV-OCCSQVGLSA-N 1 0 366.487 2.063 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000363145913 555040009 /nfs/dbraw/zinc/04/00/09/555040009.db2.gz UDNRWCIUBGZKMV-GXTWGEPZSA-N 1 0 366.487 2.063 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280869 555070266 /nfs/dbraw/zinc/07/02/66/555070266.db2.gz SKLGODHVPJTRLL-AWEZNQCLSA-N 1 0 357.414 2.227 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1 ZINC000363446593 555107318 /nfs/dbraw/zinc/10/73/18/555107318.db2.gz MMIJUJYLLVCFJS-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000363829067 555194766 /nfs/dbraw/zinc/19/47/66/555194766.db2.gz SSBGEYRALAGTEH-HOTGVXAUSA-N 1 0 362.430 2.356 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)c1 ZINC000364195070 555267449 /nfs/dbraw/zinc/26/74/49/555267449.db2.gz BDKVFEPCLSHYFL-CVEARBPZSA-N 1 0 359.357 2.309 20 5 FEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000364369849 555300385 /nfs/dbraw/zinc/30/03/85/555300385.db2.gz AAWPXYGFOWFHMT-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO CCC[NH+]1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000364835775 555411886 /nfs/dbraw/zinc/41/18/86/555411886.db2.gz WSOIPJFIABEERO-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO CCOc1cccc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000364902464 555432080 /nfs/dbraw/zinc/43/20/80/555432080.db2.gz CTXGUGXIRCEYEO-MRXNPFEDSA-N 1 0 362.474 2.457 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000365019251 555465695 /nfs/dbraw/zinc/46/56/95/555465695.db2.gz MXVNPVMXAUZVDH-LBPRGKRZSA-N 1 0 373.862 2.415 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000365033614 555469737 /nfs/dbraw/zinc/46/97/37/555469737.db2.gz AKERHTWTZZGYLC-OAHLLOKOSA-N 1 0 368.455 2.117 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000512851396 561917839 /nfs/dbraw/zinc/91/78/39/561917839.db2.gz OCFJWHWJXXHYJN-HPRJGHKQSA-N 1 0 367.471 2.306 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365283029 555531374 /nfs/dbraw/zinc/53/13/74/555531374.db2.gz VHNHKNJSUXRQID-RDJZCZTQSA-N 1 0 362.430 2.275 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cnccn2)CC1 ZINC000365519311 555597318 /nfs/dbraw/zinc/59/73/18/555597318.db2.gz XVFTVQKHUFRDJP-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000365549704 555606049 /nfs/dbraw/zinc/60/60/49/555606049.db2.gz HROWPYNWBLUJER-CWRNSKLLSA-N 1 0 365.455 2.008 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000365696147 555643254 /nfs/dbraw/zinc/64/32/54/555643254.db2.gz REBWPLPDKVEMBL-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC([NH+]2CCCC2)CC1 ZINC000365822012 555675418 /nfs/dbraw/zinc/67/54/18/555675418.db2.gz ZLXUOQQQOYBDGJ-UHFFFAOYSA-N 1 0 372.429 2.241 20 5 FEBDRO COc1cc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc([N+](=O)[O-])c1C ZINC000365873842 555689827 /nfs/dbraw/zinc/68/98/27/555689827.db2.gz LWYBNVUXUKRNRH-UHFFFAOYSA-N 1 0 373.413 2.627 20 5 FEBDRO Cc1cc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cc([N+](=O)[O-])c1N ZINC000365887806 555692904 /nfs/dbraw/zinc/69/29/04/555692904.db2.gz ZGIUEFIEKQSZQG-UHFFFAOYSA-N 1 0 372.385 2.379 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)c1C ZINC000366474105 555853849 /nfs/dbraw/zinc/85/38/49/555853849.db2.gz MAZIPFAVZSTEKC-GJZGRUSLSA-N 1 0 367.471 2.364 20 5 FEBDRO CC1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])CC1 ZINC000366605041 555888444 /nfs/dbraw/zinc/88/84/44/555888444.db2.gz SKDGBIHKTWZYQI-MAUKXSAKSA-N 1 0 358.442 2.265 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366822518 555943984 /nfs/dbraw/zinc/94/39/84/555943984.db2.gz GGYUMCSVTNQZKP-SJKOYZFVSA-N 1 0 370.409 2.453 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366836926 555947599 /nfs/dbraw/zinc/94/75/99/555947599.db2.gz FKOJMSFKRTXVNK-IUODEOHRSA-N 1 0 351.378 2.103 20 5 FEBDRO Nc1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ncc1[N+](=O)[O-] ZINC000366857212 555953019 /nfs/dbraw/zinc/95/30/19/555953019.db2.gz KCOMJUOXPNOARU-UHFFFAOYSA-N 1 0 360.340 2.184 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000366942323 555977590 /nfs/dbraw/zinc/97/75/90/555977590.db2.gz YZFKNMXYUXZUOV-INIZCTEOSA-N 1 0 367.471 2.310 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366959341 555982255 /nfs/dbraw/zinc/98/22/55/555982255.db2.gz DTFKWAPMMDGRAU-AAEUAGOBSA-N 1 0 364.402 2.490 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000367308949 556015130 /nfs/dbraw/zinc/01/51/30/556015130.db2.gz RSBNALZUFNTBSU-GFJSAUFNSA-N 1 0 371.393 2.396 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN([C@@H]4CCOC4)CC3)o2)c1 ZINC000367412822 556042198 /nfs/dbraw/zinc/04/21/98/556042198.db2.gz MOYUIBXTSUKVPJ-QGZVFWFLSA-N 1 0 372.425 2.199 20 5 FEBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000367625528 556099698 /nfs/dbraw/zinc/09/96/98/556099698.db2.gz YNEJNWMWCBFCFP-XGXHKWSGSA-N 1 0 374.441 2.093 20 5 FEBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000367648242 556104380 /nfs/dbraw/zinc/10/43/80/556104380.db2.gz GQFAIHUNYZQEGQ-SJLPKXTDSA-N 1 0 355.398 2.124 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000367940220 556178184 /nfs/dbraw/zinc/17/81/84/556178184.db2.gz CWOHMJIHIIAIRY-CVEARBPZSA-N 1 0 373.384 2.375 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000367954899 556181547 /nfs/dbraw/zinc/18/15/47/556181547.db2.gz FIXZHJUKMSZLIY-IRXDYDNUSA-N 1 0 350.415 2.403 20 5 FEBDRO Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000515054515 561994044 /nfs/dbraw/zinc/99/40/44/561994044.db2.gz YXBSLAQKPMPESJ-LXZKKBNFSA-N 1 0 369.425 2.195 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000368185613 556242225 /nfs/dbraw/zinc/24/22/25/556242225.db2.gz VMAYWDMDVDBWEJ-LBPRGKRZSA-N 1 0 373.862 2.258 20 5 FEBDRO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000368374360 556291190 /nfs/dbraw/zinc/29/11/90/556291190.db2.gz LTPKBSIBQOKCPU-MRXNPFEDSA-N 1 0 357.414 2.330 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000515310357 562004632 /nfs/dbraw/zinc/00/46/32/562004632.db2.gz RHDPTFFPUQDLOQ-CHWSQXEVSA-N 1 0 355.410 2.046 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368704559 556391924 /nfs/dbraw/zinc/39/19/24/556391924.db2.gz RRYDCMHCQJYOIW-UHFFFAOYSA-N 1 0 351.378 2.105 20 5 FEBDRO C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1Cc1ccccc1 ZINC000368821969 556422344 /nfs/dbraw/zinc/42/23/44/556422344.db2.gz DEBXIWFELJFSGR-HIFRSBDPSA-N 1 0 369.425 2.212 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368931723 556451561 /nfs/dbraw/zinc/45/15/61/556451561.db2.gz PDVKRTQLRDBFQV-UHFFFAOYSA-N 1 0 355.398 2.434 20 5 FEBDRO CO[C@](C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000515638171 562017876 /nfs/dbraw/zinc/01/78/76/562017876.db2.gz UXUONZORHFDNLR-QFBILLFUSA-N 1 0 360.410 2.486 20 5 FEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958972 556459492 /nfs/dbraw/zinc/45/94/92/556459492.db2.gz PUCMFVCPHSBJTH-XCRHUMRWSA-N 1 0 369.425 2.081 20 5 FEBDRO Cc1cc(N2CCC[N@@H+]([C@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368976000 556465465 /nfs/dbraw/zinc/46/54/65/556465465.db2.gz SRXRPVHXDLTUBE-OAHLLOKOSA-N 1 0 371.441 2.253 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)COCc3cccs3)C2)c1 ZINC000369020332 556478477 /nfs/dbraw/zinc/47/84/77/556478477.db2.gz WQRMFNICTULHIP-ZFWWWQNUSA-N 1 0 366.443 2.067 20 5 FEBDRO C[NH+](C)CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000369027639 556481714 /nfs/dbraw/zinc/48/17/14/556481714.db2.gz PUZAWHRUJZLJBK-UHFFFAOYSA-N 1 0 369.853 2.349 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369082006 556499836 /nfs/dbraw/zinc/49/98/36/556499836.db2.gz VERSFPKHWBTZSB-AWEZNQCLSA-N 1 0 362.430 2.420 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1O ZINC000369712740 556675727 /nfs/dbraw/zinc/67/57/27/556675727.db2.gz OYZOOEAHMKXZBQ-OCCSQVGLSA-N 1 0 363.414 2.190 20 5 FEBDRO O=C(CC[NH+]1CCC(CN2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000369815682 556703271 /nfs/dbraw/zinc/70/32/71/556703271.db2.gz DSWUIMFUEKVDOW-UHFFFAOYSA-N 1 0 374.441 2.258 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000516562966 562048183 /nfs/dbraw/zinc/04/81/83/562048183.db2.gz LBHRJNNPYHNFTA-HNNXBMFYSA-N 1 0 355.350 2.110 20 5 FEBDRO O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000370195432 556807640 /nfs/dbraw/zinc/80/76/40/556807640.db2.gz UYIXTSMHIUCWKI-WTNGLUPJSA-N 1 0 372.425 2.221 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000370443575 556875367 /nfs/dbraw/zinc/87/53/67/556875367.db2.gz DDJICVXMODQJKQ-INIZCTEOSA-N 1 0 358.398 2.004 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000370698584 556943632 /nfs/dbraw/zinc/94/36/32/556943632.db2.gz OHPOFFBCRSVOMI-AWEZNQCLSA-N 1 0 361.402 2.128 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1C ZINC000370864528 556994856 /nfs/dbraw/zinc/99/48/56/556994856.db2.gz CWDIMDYOMMBHID-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(CC[NH2+]CCC(=O)N1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000517230816 562081225 /nfs/dbraw/zinc/08/12/25/562081225.db2.gz IZDKSSPDDCGQQD-UHFFFAOYSA-N 1 0 362.430 2.306 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000517564138 562092619 /nfs/dbraw/zinc/09/26/19/562092619.db2.gz CQKVUNAIHOCPAN-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371645120 557249239 /nfs/dbraw/zinc/24/92/39/557249239.db2.gz FHYCLYOFAAWQMZ-OAHLLOKOSA-N 1 0 353.382 2.053 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000518023959 562102828 /nfs/dbraw/zinc/10/28/28/562102828.db2.gz YAMANWOCSMQQJZ-AWEZNQCLSA-N 1 0 362.430 2.231 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000371783048 557292594 /nfs/dbraw/zinc/29/25/94/557292594.db2.gz FHSAKYVJPCTKIF-QIXNEVBVSA-N 1 0 359.426 2.368 20 5 FEBDRO Cc1ccc(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000371788616 557293646 /nfs/dbraw/zinc/29/36/46/557293646.db2.gz NQLHHQQRAHWIJS-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000518312421 562108283 /nfs/dbraw/zinc/10/82/83/562108283.db2.gz XPPMSOBUBMGULB-LSDHHAIUSA-N 1 0 364.446 2.393 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000371878453 557318076 /nfs/dbraw/zinc/31/80/76/557318076.db2.gz OBVXYHSKOYTUPK-CYBMUJFWSA-N 1 0 355.398 2.340 20 5 FEBDRO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000518431721 562111365 /nfs/dbraw/zinc/11/13/65/562111365.db2.gz ILLPSMDYBNFQKN-IBGZPJMESA-N 1 0 372.469 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000519489792 562132594 /nfs/dbraw/zinc/13/25/94/562132594.db2.gz RVHLFFCNZXRYFW-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000372620249 557523308 /nfs/dbraw/zinc/52/33/08/557523308.db2.gz NGZUKXRPFRLQQQ-HNNXBMFYSA-N 1 0 371.441 2.282 20 5 FEBDRO O=C1Nc2ccccc2[C@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712498 557544900 /nfs/dbraw/zinc/54/49/00/557544900.db2.gz GHJPMZQHZWSZBH-QGZVFWFLSA-N 1 0 355.398 2.239 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000373114029 557631230 /nfs/dbraw/zinc/63/12/30/557631230.db2.gz XUANOZUHOWGIKI-LBPRGKRZSA-N 1 0 361.398 2.412 20 5 FEBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000520109391 562149293 /nfs/dbraw/zinc/14/92/93/562149293.db2.gz SGLBVSXOMAIUOZ-UHFFFAOYSA-N 1 0 358.402 2.201 20 5 FEBDRO COc1ccc(CC(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000520265386 562152173 /nfs/dbraw/zinc/15/21/73/562152173.db2.gz SJPMGTVEVPPQSV-UHFFFAOYSA-N 1 0 372.425 2.131 20 5 FEBDRO [NH3+]CC[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000373524012 557710921 /nfs/dbraw/zinc/71/09/21/557710921.db2.gz XDPNEOCNGUYHHW-CQSZACIVSA-N 1 0 361.423 2.377 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)COCc3ccccc3)C2)c1 ZINC000373583194 557722649 /nfs/dbraw/zinc/72/26/49/557722649.db2.gz IVYDSNRMVXMBDA-FUHWJXTLSA-N 1 0 360.414 2.006 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)COCc3ccccc3)C2)c1 ZINC000373583195 557722882 /nfs/dbraw/zinc/72/28/82/557722882.db2.gz IVYDSNRMVXMBDA-SJLPKXTDSA-N 1 0 360.414 2.006 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000520562837 562158942 /nfs/dbraw/zinc/15/89/42/562158942.db2.gz QEWUYSTZZQESAU-ZIAGYGMSSA-N 1 0 365.430 2.361 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000374089572 557821841 /nfs/dbraw/zinc/82/18/41/557821841.db2.gz UNZIZRYFUCJCDR-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000374316464 557864022 /nfs/dbraw/zinc/86/40/22/557864022.db2.gz PCJFGNWYTBBWIW-INIZCTEOSA-N 1 0 369.356 2.397 20 5 FEBDRO COC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC000521052046 562168674 /nfs/dbraw/zinc/16/86/74/562168674.db2.gz KMTRVMKKOXSINY-DJIMGWMZSA-N 1 0 350.415 2.474 20 5 FEBDRO C[N@@H+]1CCCC12CCN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000374596453 557904561 /nfs/dbraw/zinc/90/45/61/557904561.db2.gz QNOWDPCSPPRUCV-UHFFFAOYSA-N 1 0 358.442 2.044 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000374598496 557904868 /nfs/dbraw/zinc/90/48/68/557904868.db2.gz ZGRFQVULWLIWAL-WKPIXPDZSA-N 1 0 356.382 2.048 20 5 FEBDRO COc1cccc([C@@H]2[C@@H]([NH2+]CCn3ccc([N+](=O)[O-])n3)CCN2C2CC2)c1 ZINC000374783121 557930698 /nfs/dbraw/zinc/93/06/98/557930698.db2.gz YTCILXHQNMLEPX-PKOBYXMFSA-N 1 0 371.441 2.368 20 5 FEBDRO C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883173 557945915 /nfs/dbraw/zinc/94/59/15/557945915.db2.gz RLPBFJVDSGYPBP-LPHOPBHVSA-N 1 0 373.457 2.013 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000521564484 562178878 /nfs/dbraw/zinc/17/88/78/562178878.db2.gz BBBMVFSZXSJQGH-UHFFFAOYSA-N 1 0 359.386 2.076 20 5 FEBDRO Cc1cccc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000375882134 558093273 /nfs/dbraw/zinc/09/32/73/558093273.db2.gz RRPGDRQXXTXRJC-INIZCTEOSA-N 1 0 360.458 2.144 20 5 FEBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375928013 558101082 /nfs/dbraw/zinc/10/10/82/558101082.db2.gz PHGDTAGDJSBIDR-QGZVFWFLSA-N 1 0 357.414 2.019 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521650661 562181391 /nfs/dbraw/zinc/18/13/91/562181391.db2.gz WEKUQMOHVLIXRY-GFCCVEGCSA-N 1 0 361.398 2.113 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1 ZINC000376767062 558219229 /nfs/dbraw/zinc/21/92/29/558219229.db2.gz GPIZIODVMDSIRC-CJNGLKHVSA-N 1 0 365.386 2.160 20 5 FEBDRO C[C@H](O)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000521874889 562185464 /nfs/dbraw/zinc/18/54/64/562185464.db2.gz GTKBIXREAPTSHZ-WPKBUWHJSA-N 1 0 364.373 2.185 20 5 FEBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000377119642 558270081 /nfs/dbraw/zinc/27/00/81/558270081.db2.gz KPNBSEOQPWFNOQ-XOKHGSTOSA-N 1 0 363.414 2.192 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@@H+]2C)cn1 ZINC000377693831 558399385 /nfs/dbraw/zinc/39/93/85/558399385.db2.gz CKWOITGVHFYSAO-PIGZYNQJSA-N 1 0 371.401 2.360 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000378024129 558465494 /nfs/dbraw/zinc/46/54/94/558465494.db2.gz NCEMAZQDJSWTLR-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378233048 558507958 /nfs/dbraw/zinc/50/79/58/558507958.db2.gz UJIANPCNINGHCR-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000378495751 558569815 /nfs/dbraw/zinc/56/98/15/558569815.db2.gz MLYHAZUWIMOACI-VQIMIIECSA-N 1 0 358.394 2.274 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(F)F ZINC000383530637 558604956 /nfs/dbraw/zinc/60/49/56/558604956.db2.gz YWCKDJIDHQCENE-SECBINFHSA-N 1 0 352.135 2.070 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000408342950 558668975 /nfs/dbraw/zinc/66/89/75/558668975.db2.gz MFXMEHRSLMZZBV-LSDHHAIUSA-N 1 0 353.444 2.117 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000524450624 562228878 /nfs/dbraw/zinc/22/88/78/562228878.db2.gz UVFIJQLLZCSPOE-AWEZNQCLSA-N 1 0 357.414 2.241 20 5 FEBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411194854 558851882 /nfs/dbraw/zinc/85/18/82/558851882.db2.gz HWCAPIRJAKJTAO-MRXNPFEDSA-N 1 0 362.430 2.256 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279094 558867102 /nfs/dbraw/zinc/86/71/02/558867102.db2.gz PFLVKCZAYSOJFJ-TZMCWYRMSA-N 1 0 361.320 2.311 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000525461091 562248674 /nfs/dbraw/zinc/24/86/74/562248674.db2.gz CYQUNJYQYVAVNS-KRWDZBQOSA-N 1 0 373.438 2.353 20 5 FEBDRO COc1cccc(NC(=O)CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000411473981 558900945 /nfs/dbraw/zinc/90/09/45/558900945.db2.gz AXMYSOQBGPDZLS-UHFFFAOYSA-N 1 0 356.382 2.385 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000411652557 558936347 /nfs/dbraw/zinc/93/63/47/558936347.db2.gz UUTUXXCNLSYXER-KBPBESRZSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411839979 558974006 /nfs/dbraw/zinc/97/40/06/558974006.db2.gz DVJLJQFTZCGFED-KRWDZBQOSA-N 1 0 363.414 2.433 20 5 FEBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000411935545 558991206 /nfs/dbraw/zinc/99/12/06/558991206.db2.gz DPQWXRRWDGPUGE-AWEZNQCLSA-N 1 0 358.398 2.202 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[N@@H+](C(C)C)CC2)c1F ZINC000411974636 558997959 /nfs/dbraw/zinc/99/79/59/558997959.db2.gz VZGBDIILFFJWBC-UHFFFAOYSA-N 1 0 353.394 2.228 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003515 559001366 /nfs/dbraw/zinc/00/13/66/559001366.db2.gz XGAXMCKDUZMGPV-MSOLQXFVSA-N 1 0 372.425 2.006 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412027224 559003558 /nfs/dbraw/zinc/00/35/58/559003558.db2.gz VDWURBSFCIDIKF-LBPRGKRZSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1F ZINC000412122678 559015832 /nfs/dbraw/zinc/01/58/32/559015832.db2.gz GRMNLQBLRWLOEK-YPMHNXCESA-N 1 0 353.394 2.084 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000412128345 559016079 /nfs/dbraw/zinc/01/60/79/559016079.db2.gz RKDUFZYUQCNGOQ-CYBMUJFWSA-N 1 0 365.405 2.229 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412147657 559017100 /nfs/dbraw/zinc/01/71/00/559017100.db2.gz HCFXFDZTLJOLCS-LBPRGKRZSA-N 1 0 353.394 2.085 20 5 FEBDRO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000412263879 559023454 /nfs/dbraw/zinc/02/34/54/559023454.db2.gz ADQATZSVZOJHMZ-XOKHGSTOSA-N 1 0 361.442 2.002 20 5 FEBDRO COc1cc(CN[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414948774 559196574 /nfs/dbraw/zinc/19/65/74/559196574.db2.gz ZBGSQBCJORMJQV-JQWIXIFHSA-N 1 0 359.373 2.335 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000415216986 559215844 /nfs/dbraw/zinc/21/58/44/559215844.db2.gz UTZWVKDGKYWOLI-CYBMUJFWSA-N 1 0 370.409 2.254 20 5 FEBDRO COCC1(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[NH2+]CC1 ZINC000415580042 559252094 /nfs/dbraw/zinc/25/20/94/559252094.db2.gz LETYNYGNYHWNOB-UHFFFAOYSA-N 1 0 350.419 2.349 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(C)c([N+](=O)[O-])c1 ZINC000415591360 559253529 /nfs/dbraw/zinc/25/35/29/559253529.db2.gz ANAVMSBYJWPKNU-YPMHNXCESA-N 1 0 364.402 2.329 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415709275 559264099 /nfs/dbraw/zinc/26/40/99/559264099.db2.gz YEVZTVIDKWGLIV-QPUJVOFHSA-N 1 0 357.208 2.477 20 5 FEBDRO C[C@@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415743693 559266793 /nfs/dbraw/zinc/26/67/93/559266793.db2.gz OULDIULKJBQCER-LBPRGKRZSA-N 1 0 364.446 2.465 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1C ZINC000416428326 559312255 /nfs/dbraw/zinc/31/22/55/559312255.db2.gz UCIGBQCKOOJIOB-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417982905 559384992 /nfs/dbraw/zinc/38/49/92/559384992.db2.gz DUPIMNHICWNNFH-QWHCGFSZSA-N 1 0 352.822 2.042 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417997311 559385743 /nfs/dbraw/zinc/38/57/43/559385743.db2.gz UDNLADVLNKARGT-OKILXGFUSA-N 1 0 366.849 2.432 20 5 FEBDRO O=C(NCC[C@H]1CCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418550503 559405850 /nfs/dbraw/zinc/40/58/50/559405850.db2.gz AQIRNUCCAJFPSN-CQSZACIVSA-N 1 0 362.430 2.290 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000418749397 559413684 /nfs/dbraw/zinc/41/36/84/559413684.db2.gz CDNZKUZSTWMZIH-AWEZNQCLSA-N 1 0 354.357 2.266 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000418996204 559424803 /nfs/dbraw/zinc/42/48/03/559424803.db2.gz JTRMIUSIIOORTC-QWHCGFSZSA-N 1 0 360.414 2.043 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420012308 559468821 /nfs/dbraw/zinc/46/88/21/559468821.db2.gz IYLPZJPFSVLLRN-AWEZNQCLSA-N 1 0 363.336 2.046 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420411948 559486486 /nfs/dbraw/zinc/48/64/86/559486486.db2.gz YVJBCSUJYJHYOU-BBRMVZONSA-N 1 0 362.430 2.006 20 5 FEBDRO C[N@@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000420620425 559494124 /nfs/dbraw/zinc/49/41/24/559494124.db2.gz DICAYUYPMIPOMC-OAHLLOKOSA-N 1 0 354.410 2.057 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000421557752 559545244 /nfs/dbraw/zinc/54/52/44/559545244.db2.gz MXPYSGNYYTUDSA-UHFFFAOYSA-N 1 0 357.414 2.927 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000421767452 559552652 /nfs/dbraw/zinc/55/26/52/559552652.db2.gz AQDNTXHLGAFBAL-HNNXBMFYSA-N 1 0 361.442 2.442 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1C ZINC000422552830 559594641 /nfs/dbraw/zinc/59/46/41/559594641.db2.gz IIODRIZUVXRKHR-BZPMIXESSA-N 1 0 355.460 2.206 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422556088 559594911 /nfs/dbraw/zinc/59/49/11/559594911.db2.gz RWLNKUVRKSJLEZ-BZPMIXESSA-N 1 0 355.460 2.151 20 5 FEBDRO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000423032486 559615887 /nfs/dbraw/zinc/61/58/87/559615887.db2.gz FLPONQWHERNHJD-GJZGRUSLSA-N 1 0 369.487 2.269 20 5 FEBDRO CCc1ccc([C@@H](NC[C@@H]2C[NH2+]CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519624 559630917 /nfs/dbraw/zinc/63/09/17/559630917.db2.gz PMDXNBKWEJIREV-LPHOPBHVSA-N 1 0 358.442 2.333 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1OC ZINC000423942555 559647390 /nfs/dbraw/zinc/64/73/90/559647390.db2.gz PWAHPFRXBLVXAF-CYBMUJFWSA-N 1 0 351.403 2.249 20 5 FEBDRO COc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000423963135 559648175 /nfs/dbraw/zinc/64/81/75/559648175.db2.gz FFQOAOXSBBKDPW-OCCSQVGLSA-N 1 0 363.414 2.216 20 5 FEBDRO CN(CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000424004174 559650296 /nfs/dbraw/zinc/65/02/96/559650296.db2.gz RZWJMZFCRHISIW-SFHVURJKSA-N 1 0 354.410 2.204 20 5 FEBDRO COc1cc(OCC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000424009531 559650786 /nfs/dbraw/zinc/65/07/86/559650786.db2.gz XBNGBDYQUGMSPM-QGZVFWFLSA-N 1 0 371.393 2.155 20 5 FEBDRO C[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424020022 559651443 /nfs/dbraw/zinc/65/14/43/559651443.db2.gz SDZYJBYJYLLEKW-NWDGAFQWSA-N 1 0 355.822 2.460 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000424020020 559651483 /nfs/dbraw/zinc/65/14/83/559651483.db2.gz SDQJGUKHVLZAAO-ZJUUUORDSA-N 1 0 373.356 2.262 20 5 FEBDRO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000424412491 559663772 /nfs/dbraw/zinc/66/37/72/559663772.db2.gz AUIOJQYDPSMYMP-UHFFFAOYSA-N 1 0 370.413 2.111 20 5 FEBDRO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425356114 559697963 /nfs/dbraw/zinc/69/79/63/559697963.db2.gz VXLAXTFLAHYCKP-QGZVFWFLSA-N 1 0 367.413 2.424 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000425457054 559703155 /nfs/dbraw/zinc/70/31/55/559703155.db2.gz KPIHXDWFFAGAMV-CYBMUJFWSA-N 1 0 359.220 2.234 20 5 FEBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466534 559703716 /nfs/dbraw/zinc/70/37/16/559703716.db2.gz BEGDHFNTIPNEDS-NWDGAFQWSA-N 1 0 356.220 2.362 20 5 FEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466916 559703756 /nfs/dbraw/zinc/70/37/56/559703756.db2.gz CFMALGVAUZBHDG-RYUDHWBXSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425504914 559706389 /nfs/dbraw/zinc/70/63/89/559706389.db2.gz XQAHCRWCBLKZHE-OAHLLOKOSA-N 1 0 358.402 2.160 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426264750 559731985 /nfs/dbraw/zinc/73/19/85/559731985.db2.gz RKLRCCRSQAYIEH-KCPJHIHWSA-N 1 0 351.403 2.166 20 5 FEBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999080 559787898 /nfs/dbraw/zinc/78/78/98/559787898.db2.gz RZQLDYXJVNAMAG-RKVPGOIHSA-N 1 0 360.458 2.220 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000429214269 559793107 /nfs/dbraw/zinc/79/31/07/559793107.db2.gz GUXHTZDYOWZGHG-CQSZACIVSA-N 1 0 364.446 2.128 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429236834 559793531 /nfs/dbraw/zinc/79/35/31/559793531.db2.gz MSGQXQOUHDULMK-DGCLKSJQSA-N 1 0 371.393 2.393 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429351047 559796646 /nfs/dbraw/zinc/79/66/46/559796646.db2.gz RQQWRHMIILKHQP-HNNXBMFYSA-N 1 0 372.429 2.112 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429482604 559799619 /nfs/dbraw/zinc/79/96/19/559799619.db2.gz UOJKHCVZVYRGST-ABAIWWIYSA-N 1 0 374.445 2.163 20 5 FEBDRO [NH3+]CCCOC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000430561296 559822759 /nfs/dbraw/zinc/82/27/59/559822759.db2.gz ZTRSGZIKURZIQW-UHFFFAOYSA-N 1 0 370.837 2.017 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430568039 559823054 /nfs/dbraw/zinc/82/30/54/559823054.db2.gz BXBIOWHCLKJSNG-TZMCWYRMSA-N 1 0 352.435 2.236 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000430834144 559828944 /nfs/dbraw/zinc/82/89/44/559828944.db2.gz WEDBMJFQCQTBPZ-GDBMZVCRSA-N 1 0 351.451 2.198 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000432462392 559859272 /nfs/dbraw/zinc/85/92/72/559859272.db2.gz SKDPPKOHBKUPRN-GOEBONIOSA-N 1 0 370.409 2.265 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433066648 559870989 /nfs/dbraw/zinc/87/09/89/559870989.db2.gz KKYFCJPDEQONCW-KDOFPFPSSA-N 1 0 357.410 2.457 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433559705 559884128 /nfs/dbraw/zinc/88/41/28/559884128.db2.gz UJVVWANEGORFCK-MRXNPFEDSA-N 1 0 362.430 2.420 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433954934 559891301 /nfs/dbraw/zinc/89/13/01/559891301.db2.gz XYBNREDVWOZOCF-HNNXBMFYSA-N 1 0 361.446 2.323 20 5 FEBDRO C[NH2+]C1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000435395727 559922270 /nfs/dbraw/zinc/92/22/70/559922270.db2.gz VCLLLIBMAUWGIH-UHFFFAOYSA-N 1 0 359.373 2.431 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000437593141 559966605 /nfs/dbraw/zinc/96/66/05/559966605.db2.gz TXMVYHVPJMCGNW-FRFSOERESA-N 1 0 372.425 2.400 20 5 FEBDRO NC(=O)c1cccc(N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439104589 559988649 /nfs/dbraw/zinc/98/86/49/559988649.db2.gz AYFOZCVHNWWHMY-UHFFFAOYSA-N 1 0 354.410 2.406 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000440076014 560004402 /nfs/dbraw/zinc/00/44/02/560004402.db2.gz IXJYMCKQOQNJJS-STQMWFEESA-N 1 0 355.460 2.302 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000443376845 560082409 /nfs/dbraw/zinc/08/24/09/560082409.db2.gz WXSWIIPMGYNPPR-JSGCOSHPSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000443886152 560095395 /nfs/dbraw/zinc/09/53/95/560095395.db2.gz BXIQYVHVOAVVRW-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO Cn1cc([C@@H]2C[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000444750026 560119672 /nfs/dbraw/zinc/11/96/72/560119672.db2.gz XFMJOJITVGXIRM-STQMWFEESA-N 1 0 350.806 2.190 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000445078022 560128232 /nfs/dbraw/zinc/12/82/32/560128232.db2.gz HZYXUSXCYQOFHS-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1nnnn1-c1ccccc1)CC2 ZINC000446735147 560150772 /nfs/dbraw/zinc/15/07/72/560150772.db2.gz NJCIZHGZGNUHLU-UHFFFAOYSA-N 1 0 350.382 2.171 20 5 FEBDRO COc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCOCC2)c1F ZINC000447357094 560160807 /nfs/dbraw/zinc/16/08/07/560160807.db2.gz FFWPOBSHUXVSIH-UHFFFAOYSA-N 1 0 364.377 2.235 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cn3c(n2)SCC3)n1 ZINC000447595912 560164966 /nfs/dbraw/zinc/16/49/66/560164966.db2.gz BBKAVWKCHBUQEW-ZIAGYGMSSA-N 1 0 362.459 2.410 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCN(c3cccnn3)CC2)n1 ZINC000447599519 560165141 /nfs/dbraw/zinc/16/51/41/560165141.db2.gz KEBZTBAELQTYPJ-HZPDHXFCSA-N 1 0 371.445 2.324 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447925552 560173164 /nfs/dbraw/zinc/17/31/64/560173164.db2.gz JBKIITKGWLRRBH-HNNXBMFYSA-N 1 0 355.460 2.302 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000448036156 560176323 /nfs/dbraw/zinc/17/63/23/560176323.db2.gz WBIVUBYQAYWDTM-INIZCTEOSA-N 1 0 363.462 2.426 20 5 FEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000448957560 560208627 /nfs/dbraw/zinc/20/86/27/560208627.db2.gz WJVPVPZWNQOLNS-QGZVFWFLSA-N 1 0 355.398 2.151 20 5 FEBDRO COc1ccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000449240139 560221343 /nfs/dbraw/zinc/22/13/43/560221343.db2.gz XSMWDUHTCCNVID-LJQANCHMSA-N 1 0 355.394 2.151 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nnnn1-c1ccccc1 ZINC000449308440 560224606 /nfs/dbraw/zinc/22/46/06/560224606.db2.gz XGYTXLPFQAMUQD-AWEZNQCLSA-N 1 0 352.398 2.334 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000449636928 560235265 /nfs/dbraw/zinc/23/52/65/560235265.db2.gz XYETXYGQFDBFLN-UHFFFAOYSA-N 1 0 357.414 2.018 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000449658127 560235905 /nfs/dbraw/zinc/23/59/05/560235905.db2.gz AGZKPBRYUFNZNF-JTQLQIEISA-N 1 0 353.247 2.341 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000449689893 560236959 /nfs/dbraw/zinc/23/69/59/560236959.db2.gz MASXLOVBWOCNIG-CHWSQXEVSA-N 1 0 363.414 2.074 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000450260888 560256138 /nfs/dbraw/zinc/25/61/38/560256138.db2.gz LPLYBOCHVRMLOB-UHFFFAOYSA-N 1 0 355.398 2.446 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450927825 560278811 /nfs/dbraw/zinc/27/88/11/560278811.db2.gz DSBVRQSNMKXFKA-HNNXBMFYSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306173 560299164 /nfs/dbraw/zinc/29/91/64/560299164.db2.gz RNUPDQJICSCBKN-UXIGCNINSA-N 1 0 354.378 2.104 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451500578 560310723 /nfs/dbraw/zinc/31/07/23/560310723.db2.gz OKVROCVJWRTZBR-HUUCEWRRSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505473 560310898 /nfs/dbraw/zinc/31/08/98/560310898.db2.gz UHHPNUVQNNAFNK-AMKSKSKJSA-N 1 0 351.403 2.191 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563100 560314994 /nfs/dbraw/zinc/31/49/94/560314994.db2.gz JORYWBQPOJIWHQ-MKBNYLNASA-N 1 0 351.403 2.287 20 5 FEBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000451592993 560316423 /nfs/dbraw/zinc/31/64/23/560316423.db2.gz HAUJWCCZWVPTII-APWZRJJASA-N 1 0 363.458 2.363 20 5 FEBDRO C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CC2)C1 ZINC000452172065 560354518 /nfs/dbraw/zinc/35/45/18/560354518.db2.gz UJOHZSOIVYZNEQ-CQSZACIVSA-N 1 0 356.426 2.492 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000452796770 560374317 /nfs/dbraw/zinc/37/43/17/560374317.db2.gz LKEBVZPGSHRRIR-HNNXBMFYSA-N 1 0 363.458 2.469 20 5 FEBDRO CNc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000455120788 560470891 /nfs/dbraw/zinc/47/08/91/560470891.db2.gz XFLHPJLNVGUBLE-UHFFFAOYSA-N 1 0 361.402 2.137 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457097220 560548285 /nfs/dbraw/zinc/54/82/85/560548285.db2.gz RTLONUWIGHHWCJ-CQSZACIVSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000457165765 560554024 /nfs/dbraw/zinc/55/40/24/560554024.db2.gz KUHOAVJPPRFXNV-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511518 560628824 /nfs/dbraw/zinc/62/88/24/560628824.db2.gz PQGZBHNMSGBRAR-ZBFHGGJFSA-N 1 0 364.446 2.110 20 5 FEBDRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517298 560629189 /nfs/dbraw/zinc/62/91/89/560629189.db2.gz SHKGYZUZNUCLIV-IRXDYDNUSA-N 1 0 364.446 2.192 20 5 FEBDRO CON1CCC([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000459585404 560696091 /nfs/dbraw/zinc/69/60/91/560696091.db2.gz WPCSVZAXDVRIHB-UHFFFAOYSA-N 1 0 350.419 2.189 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461779426 560783051 /nfs/dbraw/zinc/78/30/51/560783051.db2.gz VALIXHUMGZWUSD-UHFFFAOYSA-N 1 0 352.410 2.033 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000462005175 560791914 /nfs/dbraw/zinc/79/19/14/560791914.db2.gz FDXFHUPWIYQOKP-CQSZACIVSA-N 1 0 364.446 2.488 20 5 FEBDRO CO[C@]1(C)C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819147 560852464 /nfs/dbraw/zinc/85/24/64/560852464.db2.gz AWPXWOJBKRGXRA-UWWQBHOKSA-N 1 0 352.431 2.470 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000465357412 560863910 /nfs/dbraw/zinc/86/39/10/560863910.db2.gz ITHFEQMLEONRLY-UHFFFAOYSA-N 1 0 365.405 2.451 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000467068651 560902744 /nfs/dbraw/zinc/90/27/44/560902744.db2.gz MCDMDFPAEIPTKB-SNVBAGLBSA-N 1 0 361.489 2.316 20 5 FEBDRO Cc1sc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000467078251 560902981 /nfs/dbraw/zinc/90/29/81/560902981.db2.gz GKGISEVWGKELLL-ZDUSSCGKSA-N 1 0 373.500 2.317 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000467716783 560915716 /nfs/dbraw/zinc/91/57/16/560915716.db2.gz VGJAFSZZJZWXEX-PXAZEXFGSA-N 1 0 369.425 2.208 20 5 FEBDRO CC(C)[NH+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000468423790 560929610 /nfs/dbraw/zinc/92/96/10/560929610.db2.gz RHVDEVGVGJPCRK-UHFFFAOYSA-N 1 0 364.446 2.486 20 5 FEBDRO CCN(CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000468648025 560935014 /nfs/dbraw/zinc/93/50/14/560935014.db2.gz IKHUPFRGPHDEHE-SDNWHVSQSA-N 1 0 355.460 2.259 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NCCc3ncc[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000468828274 560939907 /nfs/dbraw/zinc/93/99/07/560939907.db2.gz CWJRITRTCMEPAT-UHFFFAOYSA-N 1 0 368.397 2.152 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470170170 560975934 /nfs/dbraw/zinc/97/59/34/560975934.db2.gz POZJDUDZPHCHKL-GHRIWEEISA-N 1 0 374.485 2.484 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000472569695 561029528 /nfs/dbraw/zinc/02/95/28/561029528.db2.gz LFKQCXNAUWRBPJ-UHFFFAOYSA-N 1 0 366.393 2.052 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472637210 561031617 /nfs/dbraw/zinc/03/16/17/561031617.db2.gz LPAAKYNEOBLJIF-CQSZACIVSA-N 1 0 366.393 2.005 20 5 FEBDRO C[C@H](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000472695816 561033238 /nfs/dbraw/zinc/03/32/38/561033238.db2.gz ZXZBXLMEJQHFHA-GFCCVEGCSA-N 1 0 366.393 2.053 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474292472 561070269 /nfs/dbraw/zinc/07/02/69/561070269.db2.gz MLCJODCSOKKBEF-UHFFFAOYSA-N 1 0 354.410 2.125 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000474358007 561072037 /nfs/dbraw/zinc/07/20/37/561072037.db2.gz VZJNNGDEHLIQLW-SJLPKXTDSA-N 1 0 366.414 2.177 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000474819088 561083561 /nfs/dbraw/zinc/08/35/61/561083561.db2.gz NTLDGABYLHBKBU-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO COc1c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000474898978 561085043 /nfs/dbraw/zinc/08/50/43/561085043.db2.gz AMFNIYKYIBZMNX-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO COc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cccc1[N+](=O)[O-] ZINC000474911834 561085266 /nfs/dbraw/zinc/08/52/66/561085266.db2.gz YJKAKMHCRJPZAQ-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000475563018 561100032 /nfs/dbraw/zinc/10/00/32/561100032.db2.gz BCXXUNJXZVVCBN-AWEZNQCLSA-N 1 0 374.397 2.249 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@@H+]1CCc2ccccc2C1 ZINC000476377827 561117911 /nfs/dbraw/zinc/11/79/11/561117911.db2.gz XDFIPCKELYLGEO-KRWDZBQOSA-N 1 0 371.441 2.141 20 5 FEBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476650581 561125359 /nfs/dbraw/zinc/12/53/59/561125359.db2.gz ZPGHBWBGLYSXIX-UHFFFAOYSA-N 1 0 351.451 2.303 20 5 FEBDRO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477018286 561134225 /nfs/dbraw/zinc/13/42/25/561134225.db2.gz QMSAUEKJCHAJKE-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813540 562424880 /nfs/dbraw/zinc/42/48/80/562424880.db2.gz ZKGDHDXPFWUCOK-QRWLVFNGSA-N 1 0 369.421 2.409 20 5 FEBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531267436 562440109 /nfs/dbraw/zinc/44/01/09/562440109.db2.gz FHYSSWYGPVBIMT-LLVKDONJSA-N 1 0 370.247 2.358 20 5 FEBDRO COc1ccc2c(c1)CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000534841530 562543710 /nfs/dbraw/zinc/54/37/10/562543710.db2.gz WAEMRRJGNSRCAK-GOSISDBHSA-N 1 0 372.421 2.444 20 5 FEBDRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000536470867 562576378 /nfs/dbraw/zinc/57/63/78/562576378.db2.gz DQIXEXFTKGFGBE-HZPDHXFCSA-N 1 0 366.487 2.209 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000536828054 562581125 /nfs/dbraw/zinc/58/11/25/562581125.db2.gz QDYQHPNSGSCAHY-CABCVRRESA-N 1 0 367.471 2.432 20 5 FEBDRO COc1ccc(C[NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000545472764 562627705 /nfs/dbraw/zinc/62/77/05/562627705.db2.gz AUUDXKCSDIMRLI-CQSZACIVSA-N 1 0 363.801 2.443 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000806624412 674383879 /nfs/dbraw/zinc/38/38/79/674383879.db2.gz NGJDPCWOKGMTHE-SJORKVTESA-N 1 0 350.802 2.475 20 5 FEBDRO C[C@@H]1CC2(CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000568500474 568038350 /nfs/dbraw/zinc/03/83/50/568038350.db2.gz QJRJURJLCXZZBE-LLVKDONJSA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000808193199 674446334 /nfs/dbraw/zinc/44/63/34/674446334.db2.gz SRNBMTRIALQDII-JQWIXIFHSA-N 1 0 358.240 2.070 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000810376106 674542379 /nfs/dbraw/zinc/54/23/79/674542379.db2.gz KIMLGDAFEYMNJI-QGZVFWFLSA-N 1 0 353.394 2.302 20 5 FEBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824670184 609315329 /nfs/dbraw/zinc/31/53/29/609315329.db2.gz LQCQWRTZPWNXOX-VXGBXAGGSA-N 1 0 372.433 2.235 20 5 FEBDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585631 674601202 /nfs/dbraw/zinc/60/12/02/674601202.db2.gz VTSCLDOXPBWMSC-HZPDHXFCSA-N 1 0 355.460 2.450 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000562522166 674765142 /nfs/dbraw/zinc/76/51/42/674765142.db2.gz KVYHKBXKQMAYJG-LBPRGKRZSA-N 1 0 359.329 2.075 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000816533004 675063250 /nfs/dbraw/zinc/06/32/50/675063250.db2.gz FWVJMXSJXPJEJR-UHFFFAOYSA-N 1 0 362.411 2.474 20 5 FEBDRO COc1cc(CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000564969469 675083192 /nfs/dbraw/zinc/08/31/92/675083192.db2.gz NICADJXMWLPGJJ-LLVKDONJSA-N 1 0 363.336 2.338 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCC[NH+]1CCCCCC1 ZINC000063808985 670411299 /nfs/dbraw/zinc/41/12/99/670411299.db2.gz XTJZCZLFGQEZKG-UHFFFAOYSA-N 1 0 353.394 2.495 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc(F)cc2F)c1 ZINC000570676730 670750977 /nfs/dbraw/zinc/75/09/77/670750977.db2.gz WBPQBXRNDVIRJP-HNNXBMFYSA-N 1 0 352.337 2.445 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000110994381 670853196 /nfs/dbraw/zinc/85/31/96/670853196.db2.gz RBMFIKWCDQWIPO-LBPRGKRZSA-N 1 0 350.375 2.416 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572497105 671009710 /nfs/dbraw/zinc/00/97/10/671009710.db2.gz BSIXJZAZVIWHST-ZDUSSCGKSA-N 1 0 352.410 2.467 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000573478248 671127774 /nfs/dbraw/zinc/12/77/74/671127774.db2.gz NFVIFXNLYVYWIV-LRDDRELGSA-N 1 0 352.341 2.098 20 5 FEBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818002405 675189698 /nfs/dbraw/zinc/18/96/98/675189698.db2.gz YDQMNDOVGHIPSW-CYBMUJFWSA-N 1 0 350.375 2.367 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000575401382 671312310 /nfs/dbraw/zinc/31/23/10/671312310.db2.gz WRBKZIJVWZRNOP-WBVHZDCISA-N 1 0 352.431 2.255 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000575401317 671312321 /nfs/dbraw/zinc/31/23/21/671312321.db2.gz SMSOADXCGJSGAX-HOTGVXAUSA-N 1 0 367.471 2.452 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000575430000 671313295 /nfs/dbraw/zinc/31/32/95/671313295.db2.gz KTITWJLEJHTTGU-ZDUSSCGKSA-N 1 0 352.410 2.101 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818017890 675191179 /nfs/dbraw/zinc/19/11/79/675191179.db2.gz CFQNTCRBNABVJN-CQSZACIVSA-N 1 0 354.204 2.325 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000576585277 671379494 /nfs/dbraw/zinc/37/94/94/671379494.db2.gz ZJICCYIUEJKLEA-GJZGRUSLSA-N 1 0 367.471 2.222 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000576819509 671397077 /nfs/dbraw/zinc/39/70/77/671397077.db2.gz JTASHCMNLBZIDB-GXTWGEPZSA-N 1 0 355.460 2.260 20 5 FEBDRO O=C(CC[NH2+]C1CC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000578453364 671666853 /nfs/dbraw/zinc/66/68/53/671666853.db2.gz QDUDQIVEJDICQB-UHFFFAOYSA-N 1 0 360.336 2.284 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000609583838 675927401 /nfs/dbraw/zinc/92/74/01/675927401.db2.gz YENJHTBZIQPJIG-NSHDSACASA-N 1 0 351.403 2.072 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000578758229 671687977 /nfs/dbraw/zinc/68/79/77/671687977.db2.gz BCEINTNBXKYYBN-JSGCOSHPSA-N 1 0 367.471 2.470 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)CCCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000610112067 675954611 /nfs/dbraw/zinc/95/46/11/675954611.db2.gz UJNBLSOOFMOCLG-UHFFFAOYSA-N 1 0 351.403 2.185 20 5 FEBDRO CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000582230893 671980659 /nfs/dbraw/zinc/98/06/59/671980659.db2.gz LVXFJOMRMHCIIW-UHFFFAOYSA-N 1 0 350.419 2.147 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000610733451 675992574 /nfs/dbraw/zinc/99/25/74/675992574.db2.gz ODBVQAADTDAIBU-CYBMUJFWSA-N 1 0 353.444 2.373 20 5 FEBDRO CC[C@@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000159978791 672287478 /nfs/dbraw/zinc/28/74/78/672287478.db2.gz YBQGRNYKWGPIJW-QGZVFWFLSA-N 1 0 369.487 2.145 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000184126029 672490731 /nfs/dbraw/zinc/49/07/31/672490731.db2.gz VWIXTODONKMZSQ-UHFFFAOYSA-N 1 0 350.415 2.493 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)c1cccs1 ZINC000589103473 672505721 /nfs/dbraw/zinc/50/57/21/672505721.db2.gz LYONBRLIWZBYOI-GFCCVEGCSA-N 1 0 370.456 2.019 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565849 672590235 /nfs/dbraw/zinc/59/02/35/672590235.db2.gz RLHLYXCWGVHNLM-UKRRQHHQSA-N 1 0 353.806 2.183 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1OC ZINC000590567162 672590416 /nfs/dbraw/zinc/59/04/16/672590416.db2.gz ZEZFZGKVEYBJTC-AAEUAGOBSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611549747 676043862 /nfs/dbraw/zinc/04/38/62/676043862.db2.gz RTMCDFLJDVZQNX-CYBMUJFWSA-N 1 0 360.357 2.450 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591356397 672675810 /nfs/dbraw/zinc/67/58/10/672675810.db2.gz PVJKIAAKTPYAJI-RISCZKNCSA-N 1 0 352.822 2.184 20 5 FEBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000591729668 672705796 /nfs/dbraw/zinc/70/57/96/672705796.db2.gz PYMWQWASJWUIOR-WBVHZDCISA-N 1 0 351.447 2.045 20 5 FEBDRO [NH3+]C1(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000591934625 672723648 /nfs/dbraw/zinc/72/36/48/672723648.db2.gz RZZAWBSFPAHLKZ-UHFFFAOYSA-N 1 0 360.336 2.413 20 5 FEBDRO CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000591955640 672725882 /nfs/dbraw/zinc/72/58/82/672725882.db2.gz LSPNVEPOJPSNCQ-HNNXBMFYSA-N 1 0 350.419 2.099 20 5 FEBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189368 672769357 /nfs/dbraw/zinc/76/93/57/672769357.db2.gz SWYHWLRHSINTRA-GOEBONIOSA-N 1 0 350.415 2.368 20 5 FEBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@]1(O)CCOC1 ZINC000592374749 672793935 /nfs/dbraw/zinc/79/39/35/672793935.db2.gz HHZHBLSLROSSNN-MRXNPFEDSA-N 1 0 360.357 2.463 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592391128 672796739 /nfs/dbraw/zinc/79/67/39/672796739.db2.gz VMUBCQJCPMELRJ-HUUCEWRRSA-N 1 0 367.471 2.304 20 5 FEBDRO CC[C@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592544691 672813272 /nfs/dbraw/zinc/81/32/72/672813272.db2.gz HKRGZPIXWNPXKU-KBPBESRZSA-N 1 0 367.471 2.422 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000612121390 676069581 /nfs/dbraw/zinc/06/95/81/676069581.db2.gz RPETZZPCIVEFIO-JKSUJKDBSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H](CO)CCF)c1 ZINC000593689630 672979453 /nfs/dbraw/zinc/97/94/53/672979453.db2.gz ORAUWIOMNUZNSO-JTQLQIEISA-N 1 0 368.146 2.010 20 5 FEBDRO CC[N@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000593787185 672991229 /nfs/dbraw/zinc/99/12/29/672991229.db2.gz OMGRFYBOOIXIDP-UHFFFAOYSA-N 1 0 350.419 2.470 20 5 FEBDRO C[C@H](CC1CCOCC1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576180 676088409 /nfs/dbraw/zinc/08/84/09/676088409.db2.gz SHOGBDWOPZXSIL-CYBMUJFWSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000594505391 673094695 /nfs/dbraw/zinc/09/46/95/673094695.db2.gz SXTZWVHDCDWRLD-WMZOPIPTSA-N 1 0 363.483 2.380 20 5 FEBDRO CCCC[N@H+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756166 673131044 /nfs/dbraw/zinc/13/10/44/673131044.db2.gz YNSQJEFPBAUFFB-UHFFFAOYSA-N 1 0 366.443 2.153 20 5 FEBDRO CCC[N@H+](CC)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758011 673131686 /nfs/dbraw/zinc/13/16/86/673131686.db2.gz BTJYNVZUKCGCCP-UHFFFAOYSA-N 1 0 366.443 2.153 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799288 673146557 /nfs/dbraw/zinc/14/65/57/673146557.db2.gz LRRCFBRBGNNPQP-CYBMUJFWSA-N 1 0 355.460 2.308 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000595115594 673195935 /nfs/dbraw/zinc/19/59/35/673195935.db2.gz JOYJWVFNLKECQT-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000728908944 673214736 /nfs/dbraw/zinc/21/47/36/673214736.db2.gz QWJHFAWPJIWDNG-UHFFFAOYSA-N 1 0 354.838 2.239 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410458 673245683 /nfs/dbraw/zinc/24/56/83/673245683.db2.gz MHGPVFDLXBUIRT-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411490 673245912 /nfs/dbraw/zinc/24/59/12/673245912.db2.gz REBXONGGSXISIZ-CYBMUJFWSA-N 1 0 373.500 2.365 20 5 FEBDRO COc1ccc(CN2CCC(CO)([NH2+]CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000595512596 673259571 /nfs/dbraw/zinc/25/95/71/673259571.db2.gz UCUYXYYLJZEELI-UHFFFAOYSA-N 1 0 351.447 2.176 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462584959 673266119 /nfs/dbraw/zinc/26/61/19/673266119.db2.gz PXAJUISMRAZXAM-HNNXBMFYSA-N 1 0 367.471 2.446 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000595595476 673271211 /nfs/dbraw/zinc/27/12/11/673271211.db2.gz JGJFQUJIXKKKRS-QGZVFWFLSA-N 1 0 350.415 2.131 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595873646 673333180 /nfs/dbraw/zinc/33/31/80/673333180.db2.gz OXUVYXJVWLDZCZ-UHFFFAOYSA-N 1 0 352.435 2.252 20 5 FEBDRO Nc1c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000595935617 673341558 /nfs/dbraw/zinc/34/15/58/673341558.db2.gz GVENPMCMFXJSGG-LBPRGKRZSA-N 1 0 350.394 2.168 20 5 FEBDRO CO[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000596065306 673355168 /nfs/dbraw/zinc/35/51/68/673355168.db2.gz QDSLWJZAEDISHZ-INIZCTEOSA-N 1 0 356.444 2.163 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719846 673379512 /nfs/dbraw/zinc/37/95/12/673379512.db2.gz BUSIONRNGZYCAX-CQSZACIVSA-N 1 0 363.487 2.050 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596489292 673389358 /nfs/dbraw/zinc/38/93/58/673389358.db2.gz TTWGMDFRUIFDJN-CYBMUJFWSA-N 1 0 368.821 2.311 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000596565800 673394215 /nfs/dbraw/zinc/39/42/15/673394215.db2.gz GDSLBJVSCOZPJT-GFCCVEGCSA-N 1 0 373.251 2.299 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@H]2C2CC2)c1 ZINC000538116469 673422478 /nfs/dbraw/zinc/42/24/78/673422478.db2.gz LFHJKHQHOBUEHF-JKSUJKDBSA-N 1 0 353.444 2.041 20 5 FEBDRO COc1cc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])cc1F ZINC000597667003 673497593 /nfs/dbraw/zinc/49/75/93/673497593.db2.gz MYHNALZAPJAQIV-UHFFFAOYSA-N 1 0 351.378 2.300 20 5 FEBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000597678575 673498360 /nfs/dbraw/zinc/49/83/60/673498360.db2.gz LQTNKQRZRVGJQR-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597941876 673521646 /nfs/dbraw/zinc/52/16/46/673521646.db2.gz FZGUHZFKTRAXMU-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000540171721 673526503 /nfs/dbraw/zinc/52/65/03/673526503.db2.gz XBTSIEXPDRERCN-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)cc1 ZINC000540192705 673527212 /nfs/dbraw/zinc/52/72/12/673527212.db2.gz NNPNFNZLOHKVCA-CABCVRRESA-N 1 0 367.471 2.432 20 5 FEBDRO CSc1ccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598540395 673580348 /nfs/dbraw/zinc/58/03/48/673580348.db2.gz DQBZIZLLVQCFFW-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598600595 673588362 /nfs/dbraw/zinc/58/83/62/673588362.db2.gz VDDVPRIPIZFCIP-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598606322 673589229 /nfs/dbraw/zinc/58/92/29/673589229.db2.gz ZZVQWOUEWRZZPN-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598608522 673589875 /nfs/dbraw/zinc/58/98/75/673589875.db2.gz STVSFIZLMLKGGX-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000598668483 673596525 /nfs/dbraw/zinc/59/65/25/673596525.db2.gz UOIWKXQABJHWPL-YMTOWFKASA-N 1 0 354.204 2.311 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598669979 673596835 /nfs/dbraw/zinc/59/68/35/673596835.db2.gz PDKXFIADSUISJL-LYOVBCGYSA-N 1 0 353.806 2.355 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1SC ZINC000598670183 673596849 /nfs/dbraw/zinc/59/68/49/673596849.db2.gz RSTKGIHQTUJBDN-QFYYESIMSA-N 1 0 351.428 2.279 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000598998396 673627424 /nfs/dbraw/zinc/62/74/24/673627424.db2.gz GNWOUMLRVJNDSW-UWCDFFNFSA-N 1 0 352.387 2.048 20 5 FEBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000599014769 673628535 /nfs/dbraw/zinc/62/85/35/673628535.db2.gz FGECPKRRTYLGQH-UMSPYCQHSA-N 1 0 362.167 2.466 20 5 FEBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127966 673635149 /nfs/dbraw/zinc/63/51/49/673635149.db2.gz SHDWXXNQZQHGOS-CQSZACIVSA-N 1 0 368.459 2.061 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175513 673638623 /nfs/dbraw/zinc/63/86/23/673638623.db2.gz DOTIYFGMBVWRDI-MRVPVSSYSA-N 1 0 370.278 2.122 20 5 FEBDRO CC[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[NH+](CC)CC ZINC000741033078 673667115 /nfs/dbraw/zinc/66/71/15/673667115.db2.gz MRUONFKROPXHTD-CQSZACIVSA-N 1 0 355.366 2.336 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000599389784 673667851 /nfs/dbraw/zinc/66/78/51/673667851.db2.gz AJVONFDCHGDUFX-OAHLLOKOSA-N 1 0 353.444 2.280 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599391615 673668462 /nfs/dbraw/zinc/66/84/62/673668462.db2.gz OGKOZOBALHEJLN-CQSZACIVSA-N 1 0 353.444 2.280 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000599911494 673727664 /nfs/dbraw/zinc/72/76/64/673727664.db2.gz WBVBTVBMNSGHPU-YPMHNXCESA-N 1 0 360.336 2.264 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000599966458 673731072 /nfs/dbraw/zinc/73/10/72/673731072.db2.gz JDUAJIIETCQYDS-JOYOIKCWSA-N 1 0 354.204 2.133 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467813 673771583 /nfs/dbraw/zinc/77/15/83/673771583.db2.gz CULWIFPRLTUGKK-MJBXVCDLSA-N 1 0 355.460 2.240 20 5 FEBDRO C[NH2+]C1(CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CCC1 ZINC000600824702 673801781 /nfs/dbraw/zinc/80/17/81/673801781.db2.gz NIBGPHAHHUPEOE-UHFFFAOYSA-N 1 0 361.320 2.408 20 5 FEBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880527 673825023 /nfs/dbraw/zinc/82/50/23/673825023.db2.gz ZNMPCIUXPNZAGD-HNNXBMFYSA-N 1 0 355.460 2.384 20 5 FEBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000601131644 673827696 /nfs/dbraw/zinc/82/76/96/673827696.db2.gz OFFYVGAYIFCXHC-JTQLQIEISA-N 1 0 363.340 2.012 20 5 FEBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)C1=O ZINC000601175802 673831100 /nfs/dbraw/zinc/83/11/00/673831100.db2.gz CEDGMXCXQZDNMQ-CQSZACIVSA-N 1 0 352.822 2.355 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])s1 ZINC000601341504 673845038 /nfs/dbraw/zinc/84/50/38/673845038.db2.gz DEADQUBUWSORRO-VXGBXAGGSA-N 1 0 359.473 2.117 20 5 FEBDRO CC(C)(NS(=O)(=O)CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000601366879 673849396 /nfs/dbraw/zinc/84/93/96/673849396.db2.gz INXWDNRHTRCWLI-UHFFFAOYSA-N 1 0 355.460 2.235 20 5 FEBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000602491036 673907087 /nfs/dbraw/zinc/90/70/87/673907087.db2.gz NBULFCQJYMCSKU-NSHDSACASA-N 1 0 354.204 2.229 20 5 FEBDRO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000602531740 673907452 /nfs/dbraw/zinc/90/74/52/673907452.db2.gz IZXOABUBHSFHKX-LLVKDONJSA-N 1 0 354.204 2.372 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(O)CCOCC2)cc1Br ZINC000602539125 673907733 /nfs/dbraw/zinc/90/77/33/673907733.db2.gz DCSQRUMZJCNUHL-UHFFFAOYSA-N 1 0 351.222 2.050 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc(Br)cn1C ZINC000602788722 673911204 /nfs/dbraw/zinc/91/12/04/673911204.db2.gz PJUJGUAOUDTTCV-UHFFFAOYSA-N 1 0 356.224 2.333 20 5 FEBDRO CC(=O)NCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000549078353 674015140 /nfs/dbraw/zinc/01/51/40/674015140.db2.gz SQLYBQTZRIPMSL-UHFFFAOYSA-N 1 0 367.471 2.307 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000615313921 676211874 /nfs/dbraw/zinc/21/18/74/676211874.db2.gz YJFFJHRLWSNBEA-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2cnc3c(Cl)cnn3c2)cc1 ZINC000819336945 675282689 /nfs/dbraw/zinc/28/26/89/675282689.db2.gz LIUJUFDUSLWBMD-HNNXBMFYSA-N 1 0 361.789 2.157 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000820556631 675369823 /nfs/dbraw/zinc/36/98/23/675369823.db2.gz CBYDKUMXDYBMBH-LDYMZIIASA-N 1 0 371.235 2.104 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823184465 675534985 /nfs/dbraw/zinc/53/49/85/675534985.db2.gz FTNLIQUVCPKSNK-HNNXBMFYSA-N 1 0 354.838 2.459 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000823253732 675539757 /nfs/dbraw/zinc/53/97/57/675539757.db2.gz NRDKMRCCGZIRAL-GFCCVEGCSA-N 1 0 368.821 2.311 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000823310989 675543957 /nfs/dbraw/zinc/54/39/57/675543957.db2.gz VTJDQXGFHWLOIY-JTQLQIEISA-N 1 0 354.794 2.031 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000823728049 675568878 /nfs/dbraw/zinc/56/88/78/675568878.db2.gz RYJRMWRAIHIUJC-LBPRGKRZSA-N 1 0 355.822 2.133 20 5 FEBDRO CC[N@H+](CCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000823880459 675575599 /nfs/dbraw/zinc/57/55/99/675575599.db2.gz HXHAFNVDMRHWTH-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000827494108 675760273 /nfs/dbraw/zinc/76/02/73/675760273.db2.gz DWAZMICRFZRMEA-CQSZACIVSA-N 1 0 351.378 2.107 20 5 FEBDRO CCCCN(CC)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000603475156 675799557 /nfs/dbraw/zinc/79/95/57/675799557.db2.gz FMDMYURVZPSBFJ-UHFFFAOYSA-N 1 0 372.491 2.061 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccsc1 ZINC000603931864 675802285 /nfs/dbraw/zinc/80/22/85/675802285.db2.gz USMQMUDGKJTZCC-ZDUSSCGKSA-N 1 0 370.456 2.019 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604033957 675803319 /nfs/dbraw/zinc/80/33/19/675803319.db2.gz MIVLCPWEVPDZPF-GASCZTMLSA-N 1 0 369.487 2.382 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000604199908 675803970 /nfs/dbraw/zinc/80/39/70/675803970.db2.gz WXTXESXSSLSXSL-SECBINFHSA-N 1 0 359.329 2.029 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000604511269 675805485 /nfs/dbraw/zinc/80/54/85/675805485.db2.gz OWVHPTKOHDJBRD-GFCCVEGCSA-N 1 0 363.443 2.472 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC000839202349 680744490 /nfs/dbraw/zinc/74/44/90/680744490.db2.gz GNDYCDALOIQSSR-UHFFFAOYSA-N 1 0 351.794 2.383 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000765849849 680857476 /nfs/dbraw/zinc/85/74/76/680857476.db2.gz RSNPDAHEMAPVQM-PXAZEXFGSA-N 1 0 364.423 2.383 20 5 FEBDRO COCC1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000841011586 680859343 /nfs/dbraw/zinc/85/93/43/680859343.db2.gz RYVKASWMVBSQIQ-UHFFFAOYSA-N 1 0 356.810 2.386 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@@H]1[NH+](C)C ZINC000831299755 679962782 /nfs/dbraw/zinc/96/27/82/679962782.db2.gz MIDAKYKNJDVEDE-WDEREUQCSA-N 1 0 359.398 2.299 20 5 FEBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748836720 680000054 /nfs/dbraw/zinc/00/00/54/680000054.db2.gz XJXQXXVWSVRHQZ-JTQLQIEISA-N 1 0 350.375 2.334 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000831714199 680030946 /nfs/dbraw/zinc/03/09/46/680030946.db2.gz VBILBUYBGSROCB-LLVKDONJSA-N 1 0 363.336 2.310 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C[NH+](C)C ZINC000831737641 680035201 /nfs/dbraw/zinc/03/52/01/680035201.db2.gz JSPLKRWSOSXHNO-CYBMUJFWSA-N 1 0 374.235 2.054 20 5 FEBDRO CC1(C)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[S@@]1=O ZINC000832026107 680078130 /nfs/dbraw/zinc/07/81/30/680078130.db2.gz RGWFJVUFIYOPAE-VWLOTQADSA-N 1 0 371.434 2.296 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1[NH+]1CCCC1 ZINC000832132257 680099634 /nfs/dbraw/zinc/09/96/34/680099634.db2.gz TXWXFWVEKFQUMX-HUUCEWRRSA-N 1 0 353.419 2.386 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063530 680193393 /nfs/dbraw/zinc/19/33/93/680193393.db2.gz CYEMZRWYXVNASH-QOBXEIRBSA-N 1 0 358.225 2.395 20 5 FEBDRO CC(C)CCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022064501 680193448 /nfs/dbraw/zinc/19/34/48/680193448.db2.gz HOCZYEPQCVZJLV-AYRXBEOTSA-N 1 0 366.487 2.134 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000834310858 680211552 /nfs/dbraw/zinc/21/15/52/680211552.db2.gz YJEGLQKKZXUBNJ-SKDRFNHKSA-N 1 0 354.204 2.133 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836083180 680419087 /nfs/dbraw/zinc/41/90/87/680419087.db2.gz AXNVDQWUKSKZHY-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO O=C(NC1(C2CC[NH+](CCc3cccs3)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000148181 680421454 /nfs/dbraw/zinc/42/14/54/680421454.db2.gz CMBCCFJLQSLOPL-HZPDHXFCSA-N 1 0 363.483 2.317 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643237 680436538 /nfs/dbraw/zinc/43/65/38/680436538.db2.gz KYMNTDQZFGAVEY-IXYNUQLISA-N 1 0 353.369 2.147 20 5 FEBDRO O=C(NCc1ccc(C[NH2+]Cc2ccsc2)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001519160 680466323 /nfs/dbraw/zinc/46/63/23/680466323.db2.gz BHMIYFPJLAUYIE-GDBMZVCRSA-N 1 0 363.414 2.458 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000757233364 680519967 /nfs/dbraw/zinc/51/99/67/680519967.db2.gz YVEIETNKKMAZOU-UHFFFAOYSA-N 1 0 366.809 2.328 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC1CC[NH+](C2CCC2)CC1 ZINC000837045378 680546110 /nfs/dbraw/zinc/54/61/10/680546110.db2.gz UKOUGRQMEMOJKS-UHFFFAOYSA-N 1 0 351.378 2.246 20 5 FEBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001005380302 680573192 /nfs/dbraw/zinc/57/31/92/680573192.db2.gz DGCXHPJUUCYVBA-HUUCEWRRSA-N 1 0 359.417 2.400 20 5 FEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001045436967 680629770 /nfs/dbraw/zinc/62/97/70/680629770.db2.gz ZMRJOLAVIDVAFM-HUUCEWRRSA-N 1 0 351.834 2.476 20 5 FEBDRO Cc1c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000838142483 680675550 /nfs/dbraw/zinc/67/55/50/680675550.db2.gz NSOFZWIUGBCZSD-LBPRGKRZSA-N 1 0 350.375 2.273 20 5 FEBDRO CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841575660 680901524 /nfs/dbraw/zinc/90/15/24/680901524.db2.gz SBATUGVLHHLKIU-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000767171761 680901594 /nfs/dbraw/zinc/90/15/94/680901594.db2.gz VODCNFPRAZAMKG-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO CS(=O)(=O)CCOCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841748228 680910171 /nfs/dbraw/zinc/91/01/71/680910171.db2.gz IKBWBRWZLYFPEF-INIZCTEOSA-N 1 0 356.444 2.013 20 5 FEBDRO COCC1(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841854757 680914926 /nfs/dbraw/zinc/91/49/26/680914926.db2.gz DNGFHSCBWLQBPB-UHFFFAOYSA-N 1 0 370.837 2.064 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842483355 680950151 /nfs/dbraw/zinc/95/01/51/680950151.db2.gz JWNYJOYKFGJPKW-QMTHXVAHSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842484699 680950382 /nfs/dbraw/zinc/95/03/82/680950382.db2.gz LBLSARGFNXDIDI-AWEZNQCLSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000842485767 680950537 /nfs/dbraw/zinc/95/05/37/680950537.db2.gz LXJLNBNROAIUBH-MWLCHTKSSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842747060 680963932 /nfs/dbraw/zinc/96/39/32/680963932.db2.gz HIQAZUMJFAZZEJ-LLVKDONJSA-N 1 0 359.835 2.072 20 5 FEBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843101329 680987760 /nfs/dbraw/zinc/98/77/60/680987760.db2.gz NWBVIZVQZYXFHA-IPYPFGDCSA-N 1 0 350.371 2.029 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)[NH2+]1 ZINC000843344301 680999082 /nfs/dbraw/zinc/99/90/82/680999082.db2.gz UNRQADFQKDPGJD-YUMQZZPRSA-N 1 0 360.183 2.319 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000843367185 680999976 /nfs/dbraw/zinc/99/99/76/680999976.db2.gz AUUHOHZOHLZHQA-WCFLWFBJSA-N 1 0 352.822 2.246 20 5 FEBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843377333 681000573 /nfs/dbraw/zinc/00/05/73/681000573.db2.gz USHVHVAJUIPQCT-CQSZACIVSA-N 1 0 354.838 2.068 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843386198 681000836 /nfs/dbraw/zinc/00/08/36/681000836.db2.gz JMQGMODPKAQOAP-GYSYKLTISA-N 1 0 352.822 2.259 20 5 FEBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)N1CCOCC1 ZINC000770021168 681003190 /nfs/dbraw/zinc/00/31/90/681003190.db2.gz SWDYKOLZNZGDKR-QWRGUYRKSA-N 1 0 356.810 2.479 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000843452751 681004680 /nfs/dbraw/zinc/00/46/80/681004680.db2.gz NCWNONFHUQPKMY-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000771067083 681040008 /nfs/dbraw/zinc/04/00/08/681040008.db2.gz OUGWZABISHZVEK-ZDUSSCGKSA-N 1 0 353.394 2.434 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845507760 681133707 /nfs/dbraw/zinc/13/37/07/681133707.db2.gz DITOGPRUEJXKAN-ZDUSSCGKSA-N 1 0 370.812 2.306 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774641141 681215006 /nfs/dbraw/zinc/21/50/06/681215006.db2.gz YCSJBRSKXSDXEU-LBPRGKRZSA-N 1 0 365.821 2.356 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]2CC1 ZINC000946589249 681244503 /nfs/dbraw/zinc/24/45/03/681244503.db2.gz OFBOUIBPBZDMGF-YALNPMBYSA-N 1 0 363.483 2.126 20 5 FEBDRO C[NH+]1CCC(ONC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000846648251 681272026 /nfs/dbraw/zinc/27/20/26/681272026.db2.gz UXQIYJUMDNQLKQ-UHFFFAOYSA-N 1 0 358.192 2.113 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000932727246 681298133 /nfs/dbraw/zinc/29/81/33/681298133.db2.gz LJWVOVDUMIRADF-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000775820572 681339353 /nfs/dbraw/zinc/33/93/53/681339353.db2.gz WCFVYCWAVSRTJJ-UONOGXRCSA-N 1 0 351.403 2.430 20 5 FEBDRO COCC[NH+]1CCC(OC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000847886498 681445922 /nfs/dbraw/zinc/44/59/22/681445922.db2.gz FPGCRILGJSNPQC-UHFFFAOYSA-N 1 0 356.350 2.010 20 5 FEBDRO COCC[NH+]1CCC(OC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000847885058 681446122 /nfs/dbraw/zinc/44/61/22/681446122.db2.gz XDTJSJYZVALLLA-GFCCVEGCSA-N 1 0 354.378 2.491 20 5 FEBDRO CN(CC(F)F)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934043380 681500371 /nfs/dbraw/zinc/50/03/71/681500371.db2.gz KZWMIEMKOWIFOR-UHFFFAOYSA-N 1 0 357.361 2.075 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848583433 681583551 /nfs/dbraw/zinc/58/35/51/681583551.db2.gz ZOVMOSBUFZHUEV-GFCCVEGCSA-N 1 0 357.357 2.415 20 5 FEBDRO COCC[N@H+](C)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848674579 681597123 /nfs/dbraw/zinc/59/71/23/681597123.db2.gz GJAOLLKRGVHTSV-NSHDSACASA-N 1 0 357.457 2.236 20 5 FEBDRO CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000934757500 681624511 /nfs/dbraw/zinc/62/45/11/681624511.db2.gz VWXVSLXNJBJCMQ-DEOSSOPVSA-N 1 0 354.476 2.381 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000849411508 681720163 /nfs/dbraw/zinc/72/01/63/681720163.db2.gz LZAJJVTVEKQLOI-LBPRGKRZSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849420104 681725792 /nfs/dbraw/zinc/72/57/92/681725792.db2.gz QZICXNWHIBVWNP-LLVKDONJSA-N 1 0 359.423 2.193 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364240 681892085 /nfs/dbraw/zinc/89/20/85/681892085.db2.gz VVYFCBCUADTRRP-HYXAFXHYSA-N 1 0 352.334 2.175 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000850455129 681904119 /nfs/dbraw/zinc/90/41/19/681904119.db2.gz VYPSTVRSFLRDSM-OCCSQVGLSA-N 1 0 352.387 2.176 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1ccns1)CC2 ZINC000957547931 681906500 /nfs/dbraw/zinc/90/65/00/681906500.db2.gz UTOBFGOZAGXHTF-HUUCEWRRSA-N 1 0 364.471 2.013 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525095 682054086 /nfs/dbraw/zinc/05/40/86/682054086.db2.gz VFDKJYNVODCEEZ-STQMWFEESA-N 1 0 352.410 2.477 20 5 FEBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cnc(Br)n1 ZINC000852038161 682207697 /nfs/dbraw/zinc/20/76/97/682207697.db2.gz JRSHVFNRCMBSIT-UHFFFAOYSA-N 1 0 354.208 2.123 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc2sccn21 ZINC000917064089 685529373 /nfs/dbraw/zinc/52/93/73/685529373.db2.gz IRGVVWUGORWCLE-GFCCVEGCSA-N 1 0 351.432 2.359 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000853052417 682368603 /nfs/dbraw/zinc/36/86/03/682368603.db2.gz SWPPYPXYQSBLKH-OAHLLOKOSA-N 1 0 352.460 2.334 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000853966202 682495494 /nfs/dbraw/zinc/49/54/94/682495494.db2.gz PRWDVWOSDZJAFP-CYBMUJFWSA-N 1 0 370.247 2.393 20 5 FEBDRO COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788711108 682553027 /nfs/dbraw/zinc/55/30/27/682553027.db2.gz KIBFXJKLJCUFRS-DOMZBBRYSA-N 1 0 352.435 2.005 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855164141 682634388 /nfs/dbraw/zinc/63/43/88/682634388.db2.gz IGMNFMPWSITJBV-LLVKDONJSA-N 1 0 352.410 2.403 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857085155 682852912 /nfs/dbraw/zinc/85/29/12/682852912.db2.gz ABUVVGYNBAIVGQ-GDLVEWKHSA-N 1 0 352.822 2.388 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927037811 683202039 /nfs/dbraw/zinc/20/20/39/683202039.db2.gz KXTBQOSNZXGFAG-SLYWTYHBSA-N 1 0 356.419 2.363 20 5 FEBDRO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@@H+]1C ZINC000928438450 683451558 /nfs/dbraw/zinc/45/15/58/683451558.db2.gz JXLISZQOJFBOOE-XCBNKYQSSA-N 1 0 360.183 2.319 20 5 FEBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000862142370 683536531 /nfs/dbraw/zinc/53/65/31/683536531.db2.gz YVKCXWAWTNRKJY-UTUOFQBUSA-N 1 0 355.822 2.476 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921681308 683541950 /nfs/dbraw/zinc/54/19/50/683541950.db2.gz UTXZORLSZAMKMJ-CVEARBPZSA-N 1 0 364.471 2.016 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1 ZINC000930720101 683776179 /nfs/dbraw/zinc/77/61/79/683776179.db2.gz MEDFNTXMKISTAO-HZMBPMFUSA-N 1 0 359.220 2.234 20 5 FEBDRO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000865143336 683941856 /nfs/dbraw/zinc/94/18/56/683941856.db2.gz VSSWNTKNSUZDLU-SNVBAGLBSA-N 1 0 370.247 2.499 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865608179 684004204 /nfs/dbraw/zinc/00/42/04/684004204.db2.gz DHRDEXBFFZTEOL-LBPRGKRZSA-N 1 0 370.247 2.358 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000866384425 684096724 /nfs/dbraw/zinc/09/67/24/684096724.db2.gz BCBHAVSBNWEQMA-GFCCVEGCSA-N 1 0 358.435 2.469 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000866832098 684163296 /nfs/dbraw/zinc/16/32/96/684163296.db2.gz YLXPJCJECFCUQY-CHWSQXEVSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1F ZINC000867224573 684228857 /nfs/dbraw/zinc/22/88/57/684228857.db2.gz AZZOOXCDFYQNJM-UHFFFAOYSA-N 1 0 359.423 2.149 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931281699 684253835 /nfs/dbraw/zinc/25/38/35/684253835.db2.gz VSYMGYHGQZTXDT-NYMYIZQJSA-N 1 0 352.822 2.067 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000923537269 684301216 /nfs/dbraw/zinc/30/12/16/684301216.db2.gz VESLRWNBWNXJSW-INIZCTEOSA-N 1 0 352.822 2.405 20 5 FEBDRO C[NH+](C)C1(C)CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000867743028 684370398 /nfs/dbraw/zinc/37/03/98/684370398.db2.gz FOBHVVXOPUILLO-UHFFFAOYSA-N 1 0 355.460 2.277 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868567629 684512479 /nfs/dbraw/zinc/51/24/79/684512479.db2.gz VXCSENRPEOHZJY-GWCFXTLKSA-N 1 0 370.247 2.451 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148798 684922534 /nfs/dbraw/zinc/92/25/34/684922534.db2.gz HGQKMNZPKMODIS-XMZIXOGTSA-N 1 0 352.822 2.117 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000873100739 685070757 /nfs/dbraw/zinc/07/07/57/685070757.db2.gz CSPSIEPKZFQABO-RHSMWYFYSA-N 1 0 368.455 2.038 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000873153478 685083670 /nfs/dbraw/zinc/08/36/70/685083670.db2.gz UULPRLSRKMSUKQ-ZDUSSCGKSA-N 1 0 352.387 2.051 20 5 FEBDRO [NH3+]CC12CCC(CC1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000877189487 686337741 /nfs/dbraw/zinc/33/77/41/686337741.db2.gz OTORMNCQSUMVIT-UHFFFAOYSA-N 1 0 353.806 2.499 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877276868 686347303 /nfs/dbraw/zinc/34/73/03/686347303.db2.gz CXDFHPTYZLGGAJ-CHWSQXEVSA-N 1 0 354.204 2.324 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390628 686371003 /nfs/dbraw/zinc/37/10/03/686371003.db2.gz GAIBCLVPIINARS-DRZCJDIDSA-N 1 0 353.806 2.416 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)Cc3cccc(Cl)c3)C2)c1 ZINC000877811413 686469746 /nfs/dbraw/zinc/46/97/46/686469746.db2.gz JTGKZASSJDLZSD-XUJLQICISA-N 1 0 350.806 2.341 20 5 FEBDRO CO[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@](C)(CO)C1 ZINC000879262732 686782547 /nfs/dbraw/zinc/78/25/47/686782547.db2.gz YWPGMTJTDWBUQX-FZMZJTMJSA-N 1 0 359.220 2.329 20 5 FEBDRO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136981 687004546 /nfs/dbraw/zinc/00/45/46/687004546.db2.gz VUAXSQODBMTBBT-HOTGVXAUSA-N 1 0 350.394 2.231 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881469009 687136514 /nfs/dbraw/zinc/13/65/14/687136514.db2.gz GMJDGFOHDGATHV-CYBMUJFWSA-N 1 0 351.378 2.107 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000882218754 687327227 /nfs/dbraw/zinc/32/72/27/687327227.db2.gz UFELIBSNTRREFP-OAHLLOKOSA-N 1 0 373.862 2.273 20 5 FEBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000882431935 687366206 /nfs/dbraw/zinc/36/62/06/687366206.db2.gz KTCLVMBCMQOVTP-WCQYABFASA-N 1 0 361.489 2.397 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)Oc1cccc(Br)c1[N+](=O)[O-] ZINC000882837346 687508718 /nfs/dbraw/zinc/50/87/18/687508718.db2.gz FGPQMOCZTKQLOQ-UHFFFAOYSA-N 1 0 367.221 2.018 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882930729 687529219 /nfs/dbraw/zinc/52/92/19/687529219.db2.gz PSHHRRXQVVYTFU-UHFFFAOYSA-N 1 0 353.467 2.447 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883205496 687587596 /nfs/dbraw/zinc/58/75/96/687587596.db2.gz XXGCBDGYXHYFJH-GFCCVEGCSA-N 1 0 371.235 2.251 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000884954314 687973603 /nfs/dbraw/zinc/97/36/03/687973603.db2.gz CBUKGNJGJZDYLE-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884959218 687975894 /nfs/dbraw/zinc/97/58/94/687975894.db2.gz JVAJMSZUQBZDLY-KGLIPLIRSA-N 1 0 353.444 2.062 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886564556 688276255 /nfs/dbraw/zinc/27/62/55/688276255.db2.gz ZZQKCSJLGXTYAD-TXEJJXNPSA-N 1 0 351.428 2.227 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000886902107 688337375 /nfs/dbraw/zinc/33/73/75/688337375.db2.gz FQQUJFMKTCRWGU-AWEZNQCLSA-N 1 0 359.473 2.119 20 5 FEBDRO C[NH+]1CCC2(CCN2C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)CC1 ZINC000889218828 688749132 /nfs/dbraw/zinc/74/91/32/688749132.db2.gz XYZURMHZDBMVST-UHFFFAOYSA-N 1 0 356.785 2.280 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891756161 689102273 /nfs/dbraw/zinc/10/22/73/689102273.db2.gz ALVAQTCHPYMPKN-KBPBESRZSA-N 1 0 352.822 2.327 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892002005 689138255 /nfs/dbraw/zinc/13/82/55/689138255.db2.gz ZSSHLOMIGRJYPZ-SNVBAGLBSA-N 1 0 371.235 2.156 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894427016 689530420 /nfs/dbraw/zinc/53/04/20/689530420.db2.gz FIRBQXSIWBPFMB-CYBMUJFWSA-N 1 0 361.851 2.152 20 5 FEBDRO COc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000896522332 689884741 /nfs/dbraw/zinc/88/47/41/689884741.db2.gz NILZYPCDCMFWFR-CYBMUJFWSA-N 1 0 351.403 2.277 20 5 FEBDRO COc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Cl)cc1[N+](=O)[O-] ZINC000897220736 689990097 /nfs/dbraw/zinc/99/00/97/689990097.db2.gz YLPKVTJHLHDMCX-CHWSQXEVSA-N 1 0 355.822 2.292 20 5 FEBDRO Cn1nnc2c1C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000897347126 690009781 /nfs/dbraw/zinc/00/97/81/690009781.db2.gz GJJFPYRYPNBHKS-NSHDSACASA-N 1 0 355.320 2.389 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])cc1F ZINC000898828608 690259024 /nfs/dbraw/zinc/25/90/24/690259024.db2.gz CYVLQMCRDTVOQL-GJZGRUSLSA-N 1 0 351.378 2.345 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([NH+]2CCC2)CC1 ZINC000903202371 690865635 /nfs/dbraw/zinc/86/56/35/690865635.db2.gz BFUNWNYAHJLTIQ-UHFFFAOYSA-N 1 0 353.444 2.016 20 5 FEBDRO C[C@H]([NH2+]CC1(O)CCC2(CC1)OCCO2)c1c(F)cccc1[N+](=O)[O-] ZINC000903370645 690887797 /nfs/dbraw/zinc/88/77/97/690887797.db2.gz JBXJNZVPVOSXKI-LBPRGKRZSA-N 1 0 354.378 2.433 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000905432251 691117806 /nfs/dbraw/zinc/11/78/06/691117806.db2.gz OPKZHUFJUOBMQG-AWEZNQCLSA-N 1 0 351.790 2.481 20 5 FEBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905523065 691132032 /nfs/dbraw/zinc/13/20/32/691132032.db2.gz YYGZYUYGOBRVNQ-ZDUSSCGKSA-N 1 0 358.320 2.442 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2nc3c(s2)CCC3)c1 ZINC000905568987 691143203 /nfs/dbraw/zinc/14/32/03/691143203.db2.gz OGKZIVDVGKEZHZ-CYBMUJFWSA-N 1 0 363.439 2.112 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000905622873 691153196 /nfs/dbraw/zinc/15/31/96/691153196.db2.gz FPAIRBGRSHUMDB-HUUCEWRRSA-N 1 0 350.415 2.416 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000905852762 691183304 /nfs/dbraw/zinc/18/33/04/691183304.db2.gz NDMHQESPGRXWPN-VBNZEHGJSA-N 1 0 364.471 2.091 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853089 691183308 /nfs/dbraw/zinc/18/33/08/691183308.db2.gz PBXLLIYFAATQDU-DUVNUKRYSA-N 1 0 364.471 2.091 20 5 FEBDRO COc1ncnc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164629828 719078111 /nfs/dbraw/zinc/07/81/11/719078111.db2.gz ZIXFUJAZFBACGG-CVEARBPZSA-N 1 0 369.425 2.494 20 5 FEBDRO Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164867074 721063288 /nfs/dbraw/zinc/06/32/88/721063288.db2.gz HKZBHIGGRHLJQN-SJORKVTESA-N 1 0 369.425 2.173 20 5 FEBDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928498 721857061 /nfs/dbraw/zinc/85/70/61/721857061.db2.gz NROMMKSTRACTFK-OLZOCXBDSA-N 1 0 353.854 2.166 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926053 721875599 /nfs/dbraw/zinc/87/55/99/721875599.db2.gz QOUADRJXVAWUQK-ROUUACIJSA-N 1 0 355.442 2.358 20 5 FEBDRO O=[N+]([O-])c1cc(N2CC[NH+](CCc3ccccn3)CC2)nc2[nH]ccc21 ZINC001165055103 722015498 /nfs/dbraw/zinc/01/54/98/722015498.db2.gz DARFLDBQSSXMJJ-UHFFFAOYSA-N 1 0 352.398 2.231 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984073 722105632 /nfs/dbraw/zinc/10/56/32/722105632.db2.gz RRDHSUWDEIFYLA-IAGOWNOFSA-N 1 0 369.425 2.112 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000359942221 210199319 /nfs/dbraw/zinc/19/93/19/210199319.db2.gz RKZCULSRISTJBM-KBPBESRZSA-N 1 0 362.430 2.101 20 5 FEBDRO Cc1c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cccc1[N+](=O)[O-] ZINC000012613501 539568057 /nfs/dbraw/zinc/56/80/57/539568057.db2.gz UFACESKJFIAGGO-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032663119 539947048 /nfs/dbraw/zinc/94/70/48/539947048.db2.gz DQQUUDMCJPFTNL-NSHDSACASA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000041886157 540038077 /nfs/dbraw/zinc/03/80/77/540038077.db2.gz BCJCMHKQTQMJAY-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341506 540097814 /nfs/dbraw/zinc/09/78/14/540097814.db2.gz LUCQYUNSILLEJC-GFCCVEGCSA-N 1 0 369.853 2.396 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000045745005 540225037 /nfs/dbraw/zinc/22/50/37/540225037.db2.gz YGJFSHZQLDEHQP-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047144328 540292751 /nfs/dbraw/zinc/29/27/51/540292751.db2.gz NFWQNYYGTNMKCS-AWEZNQCLSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000048794445 540373642 /nfs/dbraw/zinc/37/36/42/540373642.db2.gz ZNHMBQWMHRJLAV-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053699291 540549827 /nfs/dbraw/zinc/54/98/27/540549827.db2.gz HFIMPOFGPUNHSM-CYBMUJFWSA-N 1 0 355.460 2.384 20 5 FEBDRO COc1cc(C(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053887327 540558455 /nfs/dbraw/zinc/55/84/55/540558455.db2.gz COYWLPVHAMOXHR-UHFFFAOYSA-N 1 0 359.329 2.030 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054061711 540567403 /nfs/dbraw/zinc/56/74/03/540567403.db2.gz CJICHZVWRWTHTM-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c1C ZINC000055265256 540641852 /nfs/dbraw/zinc/64/18/52/540641852.db2.gz VAKYKIRWVUCISU-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055295343 540644538 /nfs/dbraw/zinc/64/45/38/540644538.db2.gz KFOJUZQQPBKFCV-OAHLLOKOSA-N 1 0 363.439 2.046 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC)CC2)cc1OC ZINC000057000521 540760367 /nfs/dbraw/zinc/76/03/67/540760367.db2.gz RDAOWYWWLHDTRB-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000058275609 540837953 /nfs/dbraw/zinc/83/79/53/540837953.db2.gz XLRKYIZMCYUDOI-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000063836153 541188288 /nfs/dbraw/zinc/18/82/88/541188288.db2.gz CENKUIHJWJSMTQ-ZDUSSCGKSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000066022470 541278429 /nfs/dbraw/zinc/27/84/29/541278429.db2.gz QEWUYSTZZQESAU-UONOGXRCSA-N 1 0 365.430 2.361 20 5 FEBDRO O=C(CN1CCC([NH+]2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066533967 541332362 /nfs/dbraw/zinc/33/23/62/541332362.db2.gz PDKORNVSQSPVCW-UHFFFAOYSA-N 1 0 358.442 2.044 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066641735 541353390 /nfs/dbraw/zinc/35/33/90/541353390.db2.gz GJBCWXRJOFTQIV-CYBMUJFWSA-N 1 0 363.414 2.216 20 5 FEBDRO O=C1[C@H](N2CCC([NH+]3CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399504 541457760 /nfs/dbraw/zinc/45/77/60/541457760.db2.gz PEVBNDXXAGBEGF-GOSISDBHSA-N 1 0 358.442 2.260 20 5 FEBDRO Cc1c(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067536954 541476353 /nfs/dbraw/zinc/47/63/53/541476353.db2.gz OJDPVQQPJLRECN-AWEZNQCLSA-N 1 0 350.419 2.118 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000068476153 541596843 /nfs/dbraw/zinc/59/68/43/541596843.db2.gz QNXFTMXYRYYRRX-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 ZINC000068443107 541592805 /nfs/dbraw/zinc/59/28/05/541592805.db2.gz ABDGTCYVGSQENM-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000068780248 541627208 /nfs/dbraw/zinc/62/72/08/541627208.db2.gz YYLWHWMSVHSOOQ-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000069527404 541694179 /nfs/dbraw/zinc/69/41/79/541694179.db2.gz CDPNUGROEQWBFI-LBPRGKRZSA-N 1 0 353.444 2.157 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)C(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000073051788 541913928 /nfs/dbraw/zinc/91/39/28/541913928.db2.gz BZKZEPZYNMFRJV-GFCCVEGCSA-N 1 0 359.382 2.146 20 5 FEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000073987293 542023425 /nfs/dbraw/zinc/02/34/25/542023425.db2.gz ZZXQLCGDCPQZIZ-LSDHHAIUSA-N 1 0 355.398 2.089 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000077705091 542409852 /nfs/dbraw/zinc/40/98/52/542409852.db2.gz PJIWQJORXBDAJZ-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000078524698 542466046 /nfs/dbraw/zinc/46/60/46/542466046.db2.gz QBGBGWDHUUAEJQ-MRXNPFEDSA-N 1 0 371.441 2.253 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801913408 674154742 /nfs/dbraw/zinc/15/47/42/674154742.db2.gz DOEIRMWHPFWEPS-GFCCVEGCSA-N 1 0 350.394 2.120 20 5 FEBDRO Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089960002 542776925 /nfs/dbraw/zinc/77/69/25/542776925.db2.gz ITDNAKQUSUVSPN-RTBURBONSA-N 1 0 369.421 2.268 20 5 FEBDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000098097518 543020936 /nfs/dbraw/zinc/02/09/36/543020936.db2.gz KDZBGNGIQLNCQQ-UHFFFAOYSA-N 1 0 372.429 2.031 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000101906820 543048385 /nfs/dbraw/zinc/04/83/85/543048385.db2.gz LTTSPJPBKMXNQU-UHFFFAOYSA-N 1 0 372.491 2.377 20 5 FEBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000103135185 543093939 /nfs/dbraw/zinc/09/39/39/543093939.db2.gz PIJUFVXNKXFYIJ-UHFFFAOYSA-N 1 0 373.413 2.031 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000105090246 543157911 /nfs/dbraw/zinc/15/79/11/543157911.db2.gz GBIIIVDNYBXKEK-OAHLLOKOSA-N 1 0 363.462 2.426 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000109340682 543321956 /nfs/dbraw/zinc/32/19/56/543321956.db2.gz GOBXIFJZXQUNBP-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000109794347 543339399 /nfs/dbraw/zinc/33/93/99/543339399.db2.gz QPLAPXMQGBJKGT-UHFFFAOYSA-N 1 0 373.413 2.466 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109966784 543345296 /nfs/dbraw/zinc/34/52/96/543345296.db2.gz XFUWIILZSMJUQK-KRWDZBQOSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000112851476 543465129 /nfs/dbraw/zinc/46/51/29/543465129.db2.gz JTYVNBDYDPIJRF-GDBMZVCRSA-N 1 0 374.441 2.175 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000115580940 543575640 /nfs/dbraw/zinc/57/56/40/543575640.db2.gz DPVJEQVGCWQGOP-UHFFFAOYSA-N 1 0 363.414 2.311 20 5 FEBDRO CC1CCC([N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)CC1 ZINC000247468741 549338817 /nfs/dbraw/zinc/33/88/17/549338817.db2.gz JBGMIQSOGDAPFR-NANBGGJNSA-N 1 0 366.462 2.212 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000116662634 543612252 /nfs/dbraw/zinc/61/22/52/543612252.db2.gz BRXWCGOKJFUTIW-ZDUSSCGKSA-N 1 0 351.451 2.035 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCCn1ccnc1 ZINC000124315460 543813259 /nfs/dbraw/zinc/81/32/59/543813259.db2.gz OMTZUVWARIJSHX-ZDUSSCGKSA-N 1 0 361.402 2.149 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123947653 543792786 /nfs/dbraw/zinc/79/27/86/543792786.db2.gz WVOUUIMQQKBUMF-PWSUYJOCSA-N 1 0 350.375 2.366 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124703852 543837756 /nfs/dbraw/zinc/83/77/56/543837756.db2.gz SIYKVMAPYMZNEO-NSHDSACASA-N 1 0 370.247 2.358 20 5 FEBDRO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000124893445 543850128 /nfs/dbraw/zinc/85/01/28/543850128.db2.gz PJALTZBXYPHPCW-UKRRQHHQSA-N 1 0 371.397 2.135 20 5 FEBDRO COc1cc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000127165001 543976420 /nfs/dbraw/zinc/97/64/20/543976420.db2.gz KCHAJPSZFTZUBP-UWVGGRQHSA-N 1 0 373.356 2.369 20 5 FEBDRO Cc1ccccc1COC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000131253393 544182714 /nfs/dbraw/zinc/18/27/14/544182714.db2.gz OGHGWVPSEOBSOZ-GOSISDBHSA-N 1 0 374.441 2.142 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000131366769 544187611 /nfs/dbraw/zinc/18/76/11/544187611.db2.gz DJAOWZVNOIQLTF-CYBMUJFWSA-N 1 0 350.394 2.407 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130965566 544172661 /nfs/dbraw/zinc/17/26/61/544172661.db2.gz HAVOGMLUKAJBSO-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000132524498 544234350 /nfs/dbraw/zinc/23/43/50/544234350.db2.gz XXVSXGLRUHWNEE-AWEZNQCLSA-N 1 0 351.403 2.478 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000133287867 544263166 /nfs/dbraw/zinc/26/31/66/544263166.db2.gz JTGBSSOTIMAUMB-UHFFFAOYSA-N 1 0 359.430 2.127 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccc(F)cc2)CC1 ZINC000133033188 544253063 /nfs/dbraw/zinc/25/30/63/544253063.db2.gz RRFALRNBLRFOMR-UHFFFAOYSA-N 1 0 374.416 2.496 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134934422 544328051 /nfs/dbraw/zinc/32/80/51/544328051.db2.gz OGISUJRCIUNJCZ-RHSMWYFYSA-N 1 0 371.441 2.269 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000134934403 544328236 /nfs/dbraw/zinc/32/82/36/544328236.db2.gz OGISUJRCIUNJCZ-YOEHRIQHSA-N 1 0 371.441 2.269 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000135234072 544338938 /nfs/dbraw/zinc/33/89/38/544338938.db2.gz KQFDIIWDNQMYJN-IRXDYDNUSA-N 1 0 350.415 2.116 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139652330 544403904 /nfs/dbraw/zinc/40/39/04/544403904.db2.gz KFGMZFYOZSHMHG-CYBMUJFWSA-N 1 0 355.822 2.215 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136875728 544380538 /nfs/dbraw/zinc/38/05/38/544380538.db2.gz DZPQOFMBDAOCOH-LLYBFZRZSA-N 1 0 359.426 2.225 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151388565 544535891 /nfs/dbraw/zinc/53/58/91/544535891.db2.gz QLHGGQVKCCXZES-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000152888982 544707551 /nfs/dbraw/zinc/70/75/51/544707551.db2.gz FVTOGSXVWDDAIH-HOCLYGCPSA-N 1 0 367.471 2.316 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000154795449 544950948 /nfs/dbraw/zinc/95/09/48/544950948.db2.gz JRDFLNZMABAWRV-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000154561247 544921643 /nfs/dbraw/zinc/92/16/43/544921643.db2.gz SUDFOTWVGZPZAH-UHFFFAOYSA-N 1 0 363.393 2.401 20 5 FEBDRO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC[N@@H+]1Cc1ccccc1 ZINC000154829355 544954695 /nfs/dbraw/zinc/95/46/95/544954695.db2.gz FJJFPQWMCKQZOA-IBGZPJMESA-N 1 0 369.425 2.357 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178947978 327618021 /nfs/dbraw/zinc/61/80/21/327618021.db2.gz KPGAVVUCKIBCRB-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180518056 327689110 /nfs/dbraw/zinc/68/91/10/327689110.db2.gz VYFAESOWQGFXIB-CHWSQXEVSA-N 1 0 363.414 2.421 20 5 FEBDRO C[NH+](C)CCC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181569718 327736568 /nfs/dbraw/zinc/73/65/68/327736568.db2.gz HICJQMXUDYBWIE-UHFFFAOYSA-N 1 0 369.487 2.032 20 5 FEBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186799053 327983362 /nfs/dbraw/zinc/98/33/62/327983362.db2.gz ANDHMNSMTQITPZ-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000188264135 328076530 /nfs/dbraw/zinc/07/65/30/328076530.db2.gz JVSOHGAJWGTGDR-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188720422 328106418 /nfs/dbraw/zinc/10/64/18/328106418.db2.gz BEOJBTJDTWCEMP-ATGUSINASA-N 1 0 361.442 2.302 20 5 FEBDRO O=C(CC[NH2+][C@@H](CCO)c1ccco1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189586099 328156664 /nfs/dbraw/zinc/15/66/64/328156664.db2.gz XYKQKIHDJFNMJZ-ZDUSSCGKSA-N 1 0 351.334 2.369 20 5 FEBDRO CC(C)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189795637 328168623 /nfs/dbraw/zinc/16/86/23/328168623.db2.gz GYNWMNGGJFWGJH-HNNXBMFYSA-N 1 0 362.474 2.332 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189925965 328176459 /nfs/dbraw/zinc/17/64/59/328176459.db2.gz HQFYRKKLYUERTR-CQSZACIVSA-N 1 0 351.447 2.271 20 5 FEBDRO Cc1c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000190046069 328184362 /nfs/dbraw/zinc/18/43/62/328184362.db2.gz GLDWJBDYVCEFRB-LBPRGKRZSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000190064136 328185433 /nfs/dbraw/zinc/18/54/33/328185433.db2.gz JXPPBENIHCHVRZ-ZDUSSCGKSA-N 1 0 357.476 2.466 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)n1 ZINC000191611987 328273915 /nfs/dbraw/zinc/27/39/15/328273915.db2.gz AFLFHMQJTGXANA-UHFFFAOYSA-N 1 0 361.402 2.394 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000191645775 328275612 /nfs/dbraw/zinc/27/56/12/328275612.db2.gz XYXFPRVUGDRXFS-MRXNPFEDSA-N 1 0 371.441 2.405 20 5 FEBDRO COc1ccnc(NC2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000191689118 328277134 /nfs/dbraw/zinc/27/71/34/328277134.db2.gz OGCCNLLJPKFBAM-UHFFFAOYSA-N 1 0 373.413 2.479 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000191842757 328284268 /nfs/dbraw/zinc/28/42/68/328284268.db2.gz KHLAHZDDTLOVGH-ZFWWWQNUSA-N 1 0 357.414 2.204 20 5 FEBDRO CCC(CC)(C[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000192697760 328333898 /nfs/dbraw/zinc/33/38/98/328333898.db2.gz ZKXQKDSSXRNXMW-GFCCVEGCSA-N 1 0 351.403 2.491 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000192728755 328335765 /nfs/dbraw/zinc/33/57/65/328335765.db2.gz JVRANGXLIICVGB-HOTGVXAUSA-N 1 0 359.430 2.167 20 5 FEBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193033267 328353165 /nfs/dbraw/zinc/35/31/65/328353165.db2.gz PSTMWAWKIWHLRL-HZMBPMFUSA-N 1 0 361.851 2.434 20 5 FEBDRO C[C@H](C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000194279281 328417989 /nfs/dbraw/zinc/41/79/89/328417989.db2.gz MZRFMVLYQMRMOV-CQSZACIVSA-N 1 0 363.439 2.266 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000017334041 324388070 /nfs/dbraw/zinc/38/80/70/324388070.db2.gz WKKNXYFZMXEOJK-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CCCN(C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C)C1CC[NH2+]CC1 ZINC000236864093 328496499 /nfs/dbraw/zinc/49/64/99/328496499.db2.gz CPKHSRYVNCOHPS-UHFFFAOYSA-N 1 0 372.429 2.088 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000237214820 328508923 /nfs/dbraw/zinc/50/89/23/328508923.db2.gz NHILARWCPCRZKZ-CYBMUJFWSA-N 1 0 353.444 2.034 20 5 FEBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000237357298 328513774 /nfs/dbraw/zinc/51/37/74/328513774.db2.gz RBNFDBAQDJZQEL-UHFFFAOYSA-N 1 0 361.851 2.177 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081516149 325180330 /nfs/dbraw/zinc/18/03/30/325180330.db2.gz NTQOCDPEHOQQSE-OAHLLOKOSA-N 1 0 360.458 2.148 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2)c(C)c1[N+](=O)[O-] ZINC000237638293 328523332 /nfs/dbraw/zinc/52/33/32/328523332.db2.gz OLERXARJFKKGJU-INIZCTEOSA-N 1 0 371.441 2.186 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000083027286 325210377 /nfs/dbraw/zinc/21/03/77/325210377.db2.gz SUAFACJYFXPYOI-STQMWFEESA-N 1 0 353.394 2.353 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455777 325254653 /nfs/dbraw/zinc/25/46/53/325254653.db2.gz STZOZFPVEHXFLY-BETUJISGSA-N 1 0 353.394 2.353 20 5 FEBDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000090410444 325358254 /nfs/dbraw/zinc/35/82/54/325358254.db2.gz YHEJJCBUFWBSKI-OCCSQVGLSA-N 1 0 350.419 2.448 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000090799034 325368614 /nfs/dbraw/zinc/36/86/14/325368614.db2.gz LCCNYVVWSPWDRM-GXTWGEPZSA-N 1 0 371.459 2.068 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000238058045 328539926 /nfs/dbraw/zinc/53/99/26/328539926.db2.gz BWZXWTZBWGWSFF-GFCCVEGCSA-N 1 0 360.336 2.269 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092044 325506505 /nfs/dbraw/zinc/50/65/05/325506505.db2.gz LTLKAXBCAQQCFP-MRXNPFEDSA-N 1 0 363.462 2.296 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000119716362 326190854 /nfs/dbraw/zinc/19/08/54/326190854.db2.gz XUZWCKWZRUMIDR-CYBMUJFWSA-N 1 0 353.394 2.207 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120028243 326223070 /nfs/dbraw/zinc/22/30/70/326223070.db2.gz DYJMQQZAPBHOEO-SFHVURJKSA-N 1 0 370.409 2.483 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000121401847 326335818 /nfs/dbraw/zinc/33/58/18/326335818.db2.gz IYQVDUWNLGQKEV-CQSZACIVSA-N 1 0 361.329 2.188 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000121775139 326365869 /nfs/dbraw/zinc/36/58/69/326365869.db2.gz KDRLHHSKEZBAOL-ZDUSSCGKSA-N 1 0 371.397 2.279 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122391421 326395020 /nfs/dbraw/zinc/39/50/20/326395020.db2.gz UFMGSBOTGSGJTC-KGLIPLIRSA-N 1 0 353.444 2.008 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000124678748 326458141 /nfs/dbraw/zinc/45/81/41/326458141.db2.gz WVVJSGCCQSUKEQ-UHFFFAOYSA-N 1 0 361.489 2.365 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000127910782 326514726 /nfs/dbraw/zinc/51/47/26/326514726.db2.gz NLJBURRDJBERLP-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000127928053 326514997 /nfs/dbraw/zinc/51/49/97/326514997.db2.gz BDLIJZMUQOIVRX-HNNXBMFYSA-N 1 0 359.430 2.450 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000129874254 326547698 /nfs/dbraw/zinc/54/76/98/326547698.db2.gz AZKNCVQTYRFACS-SNVBAGLBSA-N 1 0 361.320 2.265 20 5 FEBDRO CCOC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000135458329 326641886 /nfs/dbraw/zinc/64/18/86/326641886.db2.gz TZJPPQINUKLBAW-UHFFFAOYSA-N 1 0 369.805 2.006 20 5 FEBDRO Cn1ccnc1[C@@H](O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000136213492 326650879 /nfs/dbraw/zinc/65/08/79/326650879.db2.gz IZAMILUNKGZFQT-KRWDZBQOSA-N 1 0 360.414 2.153 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000161951196 327013190 /nfs/dbraw/zinc/01/31/90/327013190.db2.gz JBOMYLUTRLTMLL-CYBMUJFWSA-N 1 0 353.419 2.448 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000162274184 327021196 /nfs/dbraw/zinc/02/11/96/327021196.db2.gz ADWYDLLEDAGJLQ-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163775826 327058427 /nfs/dbraw/zinc/05/84/27/327058427.db2.gz OPGGXLGRLGLFTB-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([N@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000164055723 327063945 /nfs/dbraw/zinc/06/39/45/327063945.db2.gz LUYLKOMNCDXEOV-AWEZNQCLSA-N 1 0 364.446 2.062 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000171163547 327121950 /nfs/dbraw/zinc/12/19/50/327121950.db2.gz BVBKAFWEMUQCLN-UHFFFAOYSA-N 1 0 363.414 2.374 20 5 FEBDRO CCc1n[nH]c(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000171679862 327154448 /nfs/dbraw/zinc/15/44/48/327154448.db2.gz OPRUSBFJYZCXGK-UHFFFAOYSA-N 1 0 363.393 2.223 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000171692702 327155510 /nfs/dbraw/zinc/15/55/10/327155510.db2.gz UPFJBSXUDVXWST-UHFFFAOYSA-N 1 0 364.446 2.394 20 5 FEBDRO CN1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000172750432 327216932 /nfs/dbraw/zinc/21/69/32/327216932.db2.gz ZQYBLTYTLIUVCS-UHFFFAOYSA-N 1 0 374.485 2.204 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000172833522 327221385 /nfs/dbraw/zinc/22/13/85/327221385.db2.gz XPZBPSUIODVGEI-HNNXBMFYSA-N 1 0 372.429 2.122 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173613258 327271317 /nfs/dbraw/zinc/27/13/17/327271317.db2.gz TUDOLCOYEKNVJE-CQSZACIVSA-N 1 0 362.430 2.032 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173626331 327272070 /nfs/dbraw/zinc/27/20/70/327272070.db2.gz SUWDXIGJUWJCCM-CQSZACIVSA-N 1 0 353.444 2.091 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000173627209 327272112 /nfs/dbraw/zinc/27/21/12/327272112.db2.gz YDXXBMQGFUHPTE-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000173865058 327289844 /nfs/dbraw/zinc/28/98/44/327289844.db2.gz SRWJRMHWUMHNFZ-GFCCVEGCSA-N 1 0 359.473 2.199 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954895 327297431 /nfs/dbraw/zinc/29/74/31/327297431.db2.gz IQZKYYRBIFJPME-RDJZCZTQSA-N 1 0 351.447 2.141 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000174021654 327302133 /nfs/dbraw/zinc/30/21/33/327302133.db2.gz KOUARBATTAQNFI-ZDUSSCGKSA-N 1 0 355.460 2.120 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174184724 327311187 /nfs/dbraw/zinc/31/11/87/327311187.db2.gz NAUDTCAKHPEGBD-JSGCOSHPSA-N 1 0 350.419 2.228 20 5 FEBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000174230838 327314459 /nfs/dbraw/zinc/31/44/59/327314459.db2.gz ZFEYTZLSKACHLS-HNNXBMFYSA-N 1 0 362.474 2.161 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000174724987 327346126 /nfs/dbraw/zinc/34/61/26/327346126.db2.gz IPNNNXXFECNKGR-GWCFXTLKSA-N 1 0 374.319 2.402 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1 ZINC000174737839 327347239 /nfs/dbraw/zinc/34/72/39/327347239.db2.gz AUAKCWKJASEEDQ-GOSISDBHSA-N 1 0 362.405 2.246 20 5 FEBDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174840821 327354509 /nfs/dbraw/zinc/35/45/09/327354509.db2.gz KKHBFCLWUSGPRF-ZDUSSCGKSA-N 1 0 353.423 2.123 20 5 FEBDRO Cc1sc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000175983453 327426016 /nfs/dbraw/zinc/42/60/16/327426016.db2.gz GMVUVRJDCITRJV-AWEZNQCLSA-N 1 0 366.487 2.207 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000177490389 327526246 /nfs/dbraw/zinc/52/62/46/327526246.db2.gz UAZIXHQEKDVXBV-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648922 327597991 /nfs/dbraw/zinc/59/79/91/327597991.db2.gz LNXPWDFXUVZLDP-RHSMWYFYSA-N 1 0 351.472 2.453 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000248580090 328727456 /nfs/dbraw/zinc/72/74/56/328727456.db2.gz IGKRJVFFVXTGCP-SQWLQELKSA-N 1 0 358.394 2.489 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000261876705 328826265 /nfs/dbraw/zinc/82/62/65/328826265.db2.gz SWYDACGLFXYFAX-IUCAKERBSA-N 1 0 359.329 2.014 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262238468 328853526 /nfs/dbraw/zinc/85/35/26/328853526.db2.gz OVYKWLOCDOYEDU-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000262279085 328856040 /nfs/dbraw/zinc/85/60/40/328856040.db2.gz WTYZVTVQGUYDAE-HNNXBMFYSA-N 1 0 357.414 2.418 20 5 FEBDRO COc1cc(CCNC(=O)[C@H]([NH3+])c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000262652079 328878644 /nfs/dbraw/zinc/87/86/44/328878644.db2.gz LOMMUBHEXLKDNF-GOSISDBHSA-N 1 0 373.409 2.279 20 5 FEBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000264349490 329013110 /nfs/dbraw/zinc/01/31/10/329013110.db2.gz ZIKXSHPZTRWWTC-UHFFFAOYSA-N 1 0 369.425 2.190 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000264615745 329040974 /nfs/dbraw/zinc/04/09/74/329040974.db2.gz JNDOFHGZPONQKC-UHFFFAOYSA-N 1 0 358.398 2.262 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264880121 329070610 /nfs/dbraw/zinc/07/06/10/329070610.db2.gz CMOJIAIYOSJUSW-ZDUSSCGKSA-N 1 0 363.414 2.360 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000264907478 329073487 /nfs/dbraw/zinc/07/34/87/329073487.db2.gz MSCMIYFAPZRJTR-UHFFFAOYSA-N 1 0 351.403 2.233 20 5 FEBDRO NC(=O)c1ccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000265289868 329111069 /nfs/dbraw/zinc/11/10/69/329111069.db2.gz AHGQMYYEWLXNCF-UHFFFAOYSA-N 1 0 354.410 2.058 20 5 FEBDRO Cn1c(Sc2nc3sccn3c2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265456574 329128982 /nfs/dbraw/zinc/12/89/82/329128982.db2.gz MAAGGNPDBHYOSY-MRVPVSSYSA-N 1 0 365.444 2.051 20 5 FEBDRO COc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000266094640 329189478 /nfs/dbraw/zinc/18/94/78/329189478.db2.gz RJBIJPAEIYLLRU-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000266153042 329195484 /nfs/dbraw/zinc/19/54/84/329195484.db2.gz RGBMPGDAUODFDY-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566472 329236760 /nfs/dbraw/zinc/23/67/60/329236760.db2.gz RLQDHQZYPFLRAC-KGLIPLIRSA-N 1 0 363.414 2.311 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000267303291 329312709 /nfs/dbraw/zinc/31/27/09/329312709.db2.gz LZHFWEOLCSOVRE-KRWDZBQOSA-N 1 0 351.472 2.426 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267411658 329324570 /nfs/dbraw/zinc/32/45/70/329324570.db2.gz KOGCKRGXPPWGIV-IUODEOHRSA-N 1 0 357.414 2.267 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267411660 329324577 /nfs/dbraw/zinc/32/45/77/329324577.db2.gz KOGCKRGXPPWGIV-WFASDCNBSA-N 1 0 357.414 2.267 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267939593 329370130 /nfs/dbraw/zinc/37/01/30/329370130.db2.gz NSRIEOOSVMANPL-UHFFFAOYSA-N 1 0 363.393 2.423 20 5 FEBDRO COc1cc(N2CC[NH+](CC3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000268234882 329399870 /nfs/dbraw/zinc/39/98/70/329399870.db2.gz WEBSOMJTNLDCQI-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858133 329462390 /nfs/dbraw/zinc/46/23/90/329462390.db2.gz RIZMMIAWXHBUIF-WFASDCNBSA-N 1 0 360.366 2.414 20 5 FEBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269189432 329494899 /nfs/dbraw/zinc/49/48/99/329494899.db2.gz KANGZIMNNNPWMP-SECBINFHSA-N 1 0 360.183 2.450 20 5 FEBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000269703856 329541706 /nfs/dbraw/zinc/54/17/06/329541706.db2.gz MOPTYGZFIHBAGB-AWEZNQCLSA-N 1 0 372.425 2.002 20 5 FEBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1[NH+](C)C ZINC000270340343 329592460 /nfs/dbraw/zinc/59/24/60/329592460.db2.gz DTYSLTAQGJHJCW-GHMZBOCLSA-N 1 0 361.265 2.234 20 5 FEBDRO O=C(c1ccccc1)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000270563866 329610611 /nfs/dbraw/zinc/61/06/11/329610611.db2.gz MBYUJVRQNBIJRS-UHFFFAOYSA-N 1 0 369.421 2.377 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CCC(N)=O)CC1 ZINC000271092315 329661225 /nfs/dbraw/zinc/66/12/25/329661225.db2.gz HTQHBTZNULMTMV-UHFFFAOYSA-N 1 0 362.430 2.209 20 5 FEBDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271338953 329685404 /nfs/dbraw/zinc/68/54/04/329685404.db2.gz CDIJXESHJXFTPR-UHFFFAOYSA-N 1 0 365.459 2.374 20 5 FEBDRO CS[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271609759 329707507 /nfs/dbraw/zinc/70/75/07/329707507.db2.gz KBQZAPHZYMHEAB-QWRGUYRKSA-N 1 0 361.265 2.234 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000271760354 329722447 /nfs/dbraw/zinc/72/24/47/329722447.db2.gz HOJSYERXHWDMJA-HKUYNNGSSA-N 1 0 360.410 2.438 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)C[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)F ZINC000273218146 329846206 /nfs/dbraw/zinc/84/62/06/329846206.db2.gz UYVKKRIFOLSKBD-VHMAXNEBSA-N 1 0 366.386 2.104 20 5 FEBDRO COCC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273225965 329846982 /nfs/dbraw/zinc/84/69/82/329846982.db2.gz DZHOYTAKOKVLPX-GOEBONIOSA-N 1 0 350.371 2.295 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000273517437 329871213 /nfs/dbraw/zinc/87/12/13/329871213.db2.gz NGLBTYYEZGUGMA-CQSZACIVSA-N 1 0 369.487 2.129 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000275107430 330011111 /nfs/dbraw/zinc/01/11/11/330011111.db2.gz KVMSXSMBJBKPLT-HOCLYGCPSA-N 1 0 365.455 2.255 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275461352 330051290 /nfs/dbraw/zinc/05/12/90/330051290.db2.gz NHTMZDZWYHXDOW-OAHLLOKOSA-N 1 0 351.403 2.025 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000276383288 330147078 /nfs/dbraw/zinc/14/70/78/330147078.db2.gz DPTOFTOKBJWNRM-UHFFFAOYSA-N 1 0 363.414 2.314 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000276427921 330150740 /nfs/dbraw/zinc/15/07/40/330150740.db2.gz WLZFQBWMQCXVAJ-UHFFFAOYSA-N 1 0 372.425 2.090 20 5 FEBDRO CC[NH2+]Cc1cccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000297138418 330195752 /nfs/dbraw/zinc/19/57/52/330195752.db2.gz HWGRMBJOAZQTBC-UHFFFAOYSA-N 1 0 370.409 2.381 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000331786240 330201104 /nfs/dbraw/zinc/20/11/04/330201104.db2.gz FQWDPGTYKRMMSK-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367063904 330212897 /nfs/dbraw/zinc/21/28/97/330212897.db2.gz AMEAWPILKJAVJB-OAHLLOKOSA-N 1 0 371.441 2.169 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000367202209 330229504 /nfs/dbraw/zinc/22/95/04/330229504.db2.gz SQCLLWFXKJAECN-CQSZACIVSA-N 1 0 355.398 2.091 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000371457221 330244044 /nfs/dbraw/zinc/24/40/44/330244044.db2.gz SAJUTPMWEGWMDI-UHFFFAOYSA-N 1 0 371.441 2.293 20 5 FEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461426 330245005 /nfs/dbraw/zinc/24/50/05/330245005.db2.gz XWFNYAWNDVZEAF-CRAIPNDOSA-N 1 0 360.414 2.295 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000440839756 330276421 /nfs/dbraw/zinc/27/64/21/330276421.db2.gz DGKWKVQRNNLKSW-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155572951 545544892 /nfs/dbraw/zinc/54/48/92/545544892.db2.gz GQTMAQYBLALTQR-HNNXBMFYSA-N 1 0 371.441 2.343 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156327722 545618324 /nfs/dbraw/zinc/61/83/24/545618324.db2.gz KSIOYLJYPSOVNL-CQSZACIVSA-N 1 0 367.471 2.373 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156680783 545647655 /nfs/dbraw/zinc/64/76/55/545647655.db2.gz DMXQGUXKIJZCAJ-OAHLLOKOSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000477695341 561151334 /nfs/dbraw/zinc/15/13/34/561151334.db2.gz RQIHBOWQSYMWEZ-GFCCVEGCSA-N 1 0 351.403 2.431 20 5 FEBDRO CCOCCO[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000157633450 545763742 /nfs/dbraw/zinc/76/37/42/545763742.db2.gz AIHGUNWSNGLRII-ZDUSSCGKSA-N 1 0 371.821 2.314 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000158982637 545911390 /nfs/dbraw/zinc/91/13/90/545911390.db2.gz SCVNZVHETDRFMT-GFCCVEGCSA-N 1 0 355.822 2.475 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000159269238 545937976 /nfs/dbraw/zinc/93/79/76/545937976.db2.gz AWOACATZPLREHD-UHFFFAOYSA-N 1 0 368.437 2.495 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000478476974 561167942 /nfs/dbraw/zinc/16/79/42/561167942.db2.gz AZAZAHBTLWWDKL-UHFFFAOYSA-N 1 0 362.411 2.331 20 5 FEBDRO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159861854 545986696 /nfs/dbraw/zinc/98/66/96/545986696.db2.gz XCBYQZXNUDNCKN-SFHVURJKSA-N 1 0 370.453 2.210 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160640147 546059526 /nfs/dbraw/zinc/05/95/26/546059526.db2.gz WFNLZCDKVKZFIO-RTXFEEFZSA-N 1 0 353.806 2.368 20 5 FEBDRO CSc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000171565577 546213612 /nfs/dbraw/zinc/21/36/12/546213612.db2.gz KSHCZIZAGIODIE-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000173018481 546271757 /nfs/dbraw/zinc/27/17/57/546271757.db2.gz SMPJYYYOYPHJEA-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000175666563 546330183 /nfs/dbraw/zinc/33/01/83/546330183.db2.gz PQFGMWHKHIFMAQ-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO Cc1cc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000175980648 546384178 /nfs/dbraw/zinc/38/41/78/546384178.db2.gz GPEIUQVBJPHYRB-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000176435140 546445747 /nfs/dbraw/zinc/44/57/47/546445747.db2.gz FDRLEWXSNYEIQQ-ZBFHGGJFSA-N 1 0 362.430 2.372 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176724734 546480654 /nfs/dbraw/zinc/48/06/54/546480654.db2.gz DWMDVDRXJIJNSH-HIFRSBDPSA-N 1 0 364.446 2.044 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000480513087 561210997 /nfs/dbraw/zinc/21/09/97/561210997.db2.gz ORKKFPKQITYAMB-AWEZNQCLSA-N 1 0 370.475 2.309 20 5 FEBDRO CCOC(=O)c1cc(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000177049523 546531369 /nfs/dbraw/zinc/53/13/69/546531369.db2.gz YSOQUYLKKONQJO-UHFFFAOYSA-N 1 0 351.403 2.296 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000480789651 561216917 /nfs/dbraw/zinc/21/69/17/561216917.db2.gz TVIXSRZQJXJUCA-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000481059623 561224040 /nfs/dbraw/zinc/22/40/40/561224040.db2.gz MJGHMQCABINWCC-UHFFFAOYSA-N 1 0 355.398 2.293 20 5 FEBDRO O=C([C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000178003020 546721183 /nfs/dbraw/zinc/72/11/83/546721183.db2.gz MZAPTHPLMVFNHF-CQSZACIVSA-N 1 0 367.833 2.319 20 5 FEBDRO Cc1c(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000178721599 546839179 /nfs/dbraw/zinc/83/91/79/546839179.db2.gz ROSPWJXXWAHCDG-UHFFFAOYSA-N 1 0 361.442 2.017 20 5 FEBDRO CN(C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000179080683 546896956 /nfs/dbraw/zinc/89/69/56/546896956.db2.gz NBAZBDRVWLBURK-NSHDSACASA-N 1 0 360.336 2.236 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000180723444 547166758 /nfs/dbraw/zinc/16/67/58/547166758.db2.gz AWRMWZBBEGXOEX-SFHVURJKSA-N 1 0 370.409 2.483 20 5 FEBDRO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000180917196 547208765 /nfs/dbraw/zinc/20/87/65/547208765.db2.gz UMQZUNZHQJSLPH-CYBMUJFWSA-N 1 0 354.410 2.354 20 5 FEBDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277043 561272695 /nfs/dbraw/zinc/27/26/95/561272695.db2.gz IMHLIZNBIYTTFS-XJKSGUPXSA-N 1 0 361.398 2.264 20 5 FEBDRO CC[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000181547883 547332495 /nfs/dbraw/zinc/33/24/95/547332495.db2.gz AQXJJXWIRVSROR-CZUORRHYSA-N 1 0 355.460 2.307 20 5 FEBDRO CS[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1[NH+]1CCCC1 ZINC000483400461 561276101 /nfs/dbraw/zinc/27/61/01/561276101.db2.gz CGRRYWKYDPADSF-CVEARBPZSA-N 1 0 367.446 2.315 20 5 FEBDRO CCC[NH+]1CCC(N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000181945588 547410987 /nfs/dbraw/zinc/41/09/87/547410987.db2.gz PZZJIARYGOJVFD-UHFFFAOYSA-N 1 0 369.487 2.175 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183297285 547634977 /nfs/dbraw/zinc/63/49/77/547634977.db2.gz ZMWLFIVVKLTVIX-HNNXBMFYSA-N 1 0 369.487 2.321 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183662486 547697235 /nfs/dbraw/zinc/69/72/35/547697235.db2.gz QIODNEQPDRYGLV-MRXNPFEDSA-N 1 0 369.487 2.321 20 5 FEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183911696 547738777 /nfs/dbraw/zinc/73/87/77/547738777.db2.gz BYKJQOQROWKJOF-QGZVFWFLSA-N 1 0 371.441 2.458 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000184809899 547881683 /nfs/dbraw/zinc/88/16/83/547881683.db2.gz QVAHXWURUYCAFS-MRXNPFEDSA-N 1 0 363.458 2.127 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)nc1-c1ccc(F)cc1 ZINC000485416264 561318602 /nfs/dbraw/zinc/31/86/02/561318602.db2.gz ODJBJQDDMNKACJ-UHFFFAOYSA-N 1 0 360.389 2.347 20 5 FEBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000185875296 548049336 /nfs/dbraw/zinc/04/93/36/548049336.db2.gz AXNMYRVICCMXRR-HNNXBMFYSA-N 1 0 362.817 2.346 20 5 FEBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186966080 548230623 /nfs/dbraw/zinc/23/06/23/548230623.db2.gz YBIGNDPBPOZULX-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564137 548499505 /nfs/dbraw/zinc/49/95/05/548499505.db2.gz KUQPVJOWTFXEFV-IINYFYTJSA-N 1 0 369.219 2.266 20 5 FEBDRO C[NH+]1CCN(c2ncccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194607533 548505189 /nfs/dbraw/zinc/50/51/89/548505189.db2.gz GOKFXFXCFUZPGT-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000486630059 561352812 /nfs/dbraw/zinc/35/28/12/561352812.db2.gz UBPSSPIEVDBIEJ-OAHLLOKOSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236763772 548778220 /nfs/dbraw/zinc/77/82/20/548778220.db2.gz YEBALNZGKKBPGG-MRXNPFEDSA-N 1 0 359.430 2.429 20 5 FEBDRO CCOc1ccc(C(=O)NCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000236904742 548787986 /nfs/dbraw/zinc/78/79/86/548787986.db2.gz QVJPLRRAAOYYRU-UHFFFAOYSA-N 1 0 358.398 2.298 20 5 FEBDRO CC[C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000237055778 548797211 /nfs/dbraw/zinc/79/72/11/548797211.db2.gz FSYUMXIUUJTXDL-UONOGXRCSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440973 548921237 /nfs/dbraw/zinc/92/12/37/548921237.db2.gz VCWNVIPCCCETAP-BBRMVZONSA-N 1 0 364.446 2.204 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)Cc2cccc(Br)c2)n1 ZINC000488205276 561386041 /nfs/dbraw/zinc/38/60/41/561386041.db2.gz ZFGWCPRVWZMBGS-UHFFFAOYSA-N 1 0 369.219 2.048 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000246085917 549048747 /nfs/dbraw/zinc/04/87/47/549048747.db2.gz GGFXVZRTQNGLRK-DOMZBBRYSA-N 1 0 355.460 2.172 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000246315548 549103760 /nfs/dbraw/zinc/10/37/60/549103760.db2.gz RDTHLMPPGDIVHE-HOCLYGCPSA-N 1 0 359.426 2.449 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000246699086 549190756 /nfs/dbraw/zinc/19/07/56/549190756.db2.gz WDGBWYUCHKODJR-GXTWGEPZSA-N 1 0 363.414 2.168 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758536 561396432 /nfs/dbraw/zinc/39/64/32/561396432.db2.gz JLGFESKDUYYNCY-QWRGUYRKSA-N 1 0 360.357 2.450 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000246716524 549194606 /nfs/dbraw/zinc/19/46/06/549194606.db2.gz KAAFBOIETJKBFS-GOEBONIOSA-N 1 0 374.441 2.175 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246776778 549210653 /nfs/dbraw/zinc/21/06/53/549210653.db2.gz PDGXVIRWSPBNAK-SWLSCSKDSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246789697 549212764 /nfs/dbraw/zinc/21/27/64/549212764.db2.gz ISQIBWOIEZHHKM-HZPDHXFCSA-N 1 0 365.455 2.438 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000246904425 549240153 /nfs/dbraw/zinc/24/01/53/549240153.db2.gz CFBNYWZKXQXYAV-AEFFLSMTSA-N 1 0 363.458 2.285 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247014690 549264950 /nfs/dbraw/zinc/26/49/50/549264950.db2.gz PYYYJXYZFUJNQA-GDBMZVCRSA-N 1 0 363.462 2.213 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000248367145 549422845 /nfs/dbraw/zinc/42/28/45/549422845.db2.gz SYNGDZYEKMEROM-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@@H](O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000248473684 549447591 /nfs/dbraw/zinc/44/75/91/549447591.db2.gz WWUPUHLZUIOSLY-GDBMZVCRSA-N 1 0 352.431 2.350 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@@H]1C ZINC000489395444 561409929 /nfs/dbraw/zinc/40/99/29/561409929.db2.gz CTWVZFUNRSBULI-PBHICJAKSA-N 1 0 365.430 2.358 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249210132 549569495 /nfs/dbraw/zinc/56/94/95/549569495.db2.gz SKDOLHNTFJSKBI-WFASDCNBSA-N 1 0 362.430 2.030 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000249734450 549620686 /nfs/dbraw/zinc/62/06/86/549620686.db2.gz CXNFDUNTVYWELB-CHWSQXEVSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251849685 549655263 /nfs/dbraw/zinc/65/52/63/549655263.db2.gz NKMFZKKUCSPQEG-BLLLJJGKSA-N 1 0 351.403 2.289 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000253352805 549682634 /nfs/dbraw/zinc/68/26/34/549682634.db2.gz RIYDYGPAQLVPKR-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000253357896 549683537 /nfs/dbraw/zinc/68/35/37/549683537.db2.gz JHUZDOPUHBNHOM-OLZOCXBDSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261765274 549752221 /nfs/dbraw/zinc/75/22/21/549752221.db2.gz RNQIWOFEJKOFPG-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO Nc1c(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000262116416 549789917 /nfs/dbraw/zinc/78/99/17/549789917.db2.gz BMYCHYHGVJVGLM-DOMZBBRYSA-N 1 0 358.373 2.131 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000262157945 549794018 /nfs/dbraw/zinc/79/40/18/549794018.db2.gz GPAOUQGVNHABBM-OAHLLOKOSA-N 1 0 351.403 2.120 20 5 FEBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000264118757 549981292 /nfs/dbraw/zinc/98/12/92/549981292.db2.gz CMVYKRFZODULKL-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1ccccc1-c1ncc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000491247211 561444150 /nfs/dbraw/zinc/44/41/50/561444150.db2.gz NPFVYKUMJHNFRU-UHFFFAOYSA-N 1 0 354.370 2.047 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000268789470 550116395 /nfs/dbraw/zinc/11/63/95/550116395.db2.gz GBONYBVRTOBXAP-LLVKDONJSA-N 1 0 370.837 2.083 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269207443 550167592 /nfs/dbraw/zinc/16/75/92/550167592.db2.gz JQNWMRTXNVEXRQ-UHFFFAOYSA-N 1 0 364.446 2.237 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1SC ZINC000269221460 550168962 /nfs/dbraw/zinc/16/89/62/550168962.db2.gz SOVLHKAVJAIBKH-MNOVXSKESA-N 1 0 353.444 2.443 20 5 FEBDRO COc1cc(C[N@H+](C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492728840 561452568 /nfs/dbraw/zinc/45/25/68/561452568.db2.gz QCQDTQDWVQNFFE-UHFFFAOYSA-N 1 0 351.447 2.394 20 5 FEBDRO CN1CC[NH+](CC2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000269665657 550215214 /nfs/dbraw/zinc/21/52/14/550215214.db2.gz VLFLUZVPHUNHIS-UHFFFAOYSA-N 1 0 354.401 2.337 20 5 FEBDRO CS[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1[NH+](C)C ZINC000270850978 550313766 /nfs/dbraw/zinc/31/37/66/550313766.db2.gz PTBXMHRIOBBGMV-GJZGRUSLSA-N 1 0 360.439 2.261 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870962 550315869 /nfs/dbraw/zinc/31/58/69/550315869.db2.gz OCJPTJYNRXBODF-IEBWSBKVSA-N 1 0 369.421 2.208 20 5 FEBDRO Cc1cc(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000271572692 550386873 /nfs/dbraw/zinc/38/68/73/550386873.db2.gz AFFUZMQJKOOPAM-INIZCTEOSA-N 1 0 360.414 2.246 20 5 FEBDRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271622730 550390818 /nfs/dbraw/zinc/39/08/18/550390818.db2.gz NDUIPLCYCOXYJO-QLFBSQMISA-N 1 0 364.446 2.454 20 5 FEBDRO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274183 550433144 /nfs/dbraw/zinc/43/31/44/550433144.db2.gz LXDWCIXITUTVBB-SWLSCSKDSA-N 1 0 357.414 2.267 20 5 FEBDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272384979 550443060 /nfs/dbraw/zinc/44/30/60/550443060.db2.gz HHOVRGNNMHVORS-HALDLXJZSA-N 1 0 371.441 2.215 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000272452592 550449367 /nfs/dbraw/zinc/44/93/67/550449367.db2.gz MVWFHBZIGSFDNB-CABCVRRESA-N 1 0 362.430 2.229 20 5 FEBDRO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486014 550452359 /nfs/dbraw/zinc/45/23/59/550452359.db2.gz RMEKRDNZRBGWET-HIFRSBDPSA-N 1 0 355.398 2.085 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497583 550452934 /nfs/dbraw/zinc/45/29/34/550452934.db2.gz GHPSLKJQRPMXPD-BVGQSLNGSA-N 1 0 355.442 2.490 20 5 FEBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521061 550455071 /nfs/dbraw/zinc/45/50/71/550455071.db2.gz PXHNNOONLFWLMO-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000273362429 550495423 /nfs/dbraw/zinc/49/54/23/550495423.db2.gz QTGZKXZEPQOZMG-SJORKVTESA-N 1 0 360.410 2.390 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000273649216 550506801 /nfs/dbraw/zinc/50/68/01/550506801.db2.gz UDBVIMQHNMRQIA-UHFFFAOYSA-N 1 0 356.430 2.134 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274037362 550520545 /nfs/dbraw/zinc/52/05/45/550520545.db2.gz MZBHILJITOBGKZ-JKSUJKDBSA-N 1 0 364.471 2.045 20 5 FEBDRO CS[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274062601 550521656 /nfs/dbraw/zinc/52/16/56/550521656.db2.gz OYNCDMZMFRYMQI-RDJZCZTQSA-N 1 0 351.472 2.485 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCCN(CC[NH+]4CCCCC4)CC3)nc2c1 ZINC000274788805 550554789 /nfs/dbraw/zinc/55/47/89/550554789.db2.gz BNSZTSDWDSNYDY-UHFFFAOYSA-N 1 0 372.473 2.469 20 5 FEBDRO COc1cc(OCC(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000276707472 550587578 /nfs/dbraw/zinc/58/75/78/550587578.db2.gz JNYYITIAGAKHMR-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO CC(C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCCC1 ZINC000276720474 550588890 /nfs/dbraw/zinc/58/88/90/550588890.db2.gz LNCXJPQJJNXJEI-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836088 550601368 /nfs/dbraw/zinc/60/13/68/550601368.db2.gz VTPZDADCTXEEQQ-SWLSCSKDSA-N 1 0 360.414 2.230 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276999234 550620387 /nfs/dbraw/zinc/62/03/87/550620387.db2.gz WCYLBIUNQRPIAW-UHFFFAOYSA-N 1 0 372.381 2.091 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277082587 550630037 /nfs/dbraw/zinc/63/00/37/550630037.db2.gz UKDOHCFKDZACRC-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277146007 550637092 /nfs/dbraw/zinc/63/70/92/550637092.db2.gz QGVZJYPFVBQYCR-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1CC[NH+](CC2CC2)CC1 ZINC000277943406 550731365 /nfs/dbraw/zinc/73/13/65/550731365.db2.gz RXHVQRWDIMFQPT-UHFFFAOYSA-N 1 0 372.429 2.145 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086753 550747530 /nfs/dbraw/zinc/74/75/30/550747530.db2.gz HVAICDMDWIDWAF-ZDUSSCGKSA-N 1 0 374.445 2.391 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278167904 550756732 /nfs/dbraw/zinc/75/67/32/550756732.db2.gz AUBNVYUKRKBQAT-HNNXBMFYSA-N 1 0 358.446 2.077 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278216170 550761632 /nfs/dbraw/zinc/76/16/32/550761632.db2.gz RNPBDPZTAGXAEZ-LBPRGKRZSA-N 1 0 355.822 2.479 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCc1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000278227552 550762893 /nfs/dbraw/zinc/76/28/93/550762893.db2.gz YEMQGZYBBZNZNF-SWLSCSKDSA-N 1 0 360.370 2.483 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](C2CCOCC2)CC1 ZINC000278331576 550773918 /nfs/dbraw/zinc/77/39/18/550773918.db2.gz IKVUEQXFKQFOQQ-UHFFFAOYSA-N 1 0 360.336 2.310 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000278503363 550793178 /nfs/dbraw/zinc/79/31/78/550793178.db2.gz IPJFSEYSCWNQOJ-SFHVURJKSA-N 1 0 372.425 2.078 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278596080 550802381 /nfs/dbraw/zinc/80/23/81/550802381.db2.gz FHRZJUUXDFLMBS-CYBMUJFWSA-N 1 0 374.445 2.344 20 5 FEBDRO Cc1c(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278905265 550834420 /nfs/dbraw/zinc/83/44/20/550834420.db2.gz SELKVASBUNLEIS-AWEZNQCLSA-N 1 0 361.442 2.157 20 5 FEBDRO Cc1nn(CCc2nc(-c3ccn4c[nH+]cc4c3)no2)c(C)c1[N+](=O)[O-] ZINC000279042357 550850099 /nfs/dbraw/zinc/85/00/99/550850099.db2.gz AJEIBCIUWJGWLS-UHFFFAOYSA-N 1 0 353.342 2.349 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279286900 550873739 /nfs/dbraw/zinc/87/37/39/550873739.db2.gz KSDAKYXSMHPBLO-SJCJKPOMSA-N 1 0 363.414 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279324198 550877789 /nfs/dbraw/zinc/87/77/89/550877789.db2.gz OJIOSCMORWEKMC-YVEFUNNKSA-N 1 0 363.414 2.431 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280250999 550974382 /nfs/dbraw/zinc/97/43/82/550974382.db2.gz BXXDEGBXXNAZIM-DEYYWGMASA-N 1 0 363.414 2.110 20 5 FEBDRO COC(=O)[C@@H]1CN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000280250229 550974433 /nfs/dbraw/zinc/97/44/33/550974433.db2.gz LBKOCEYAXGRWOP-MWLCHTKSSA-N 1 0 374.340 2.446 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCCn3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000280299149 550978116 /nfs/dbraw/zinc/97/81/16/550978116.db2.gz VOCKOTQHQRWADA-UHFFFAOYSA-N 1 0 359.430 2.402 20 5 FEBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280546102 551006222 /nfs/dbraw/zinc/00/62/22/551006222.db2.gz KPGDVECZTWNZLK-GASCZTMLSA-N 1 0 369.425 2.084 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(OC)c2)[NH+](C)C)n1 ZINC000280651614 551017461 /nfs/dbraw/zinc/01/74/61/551017461.db2.gz AEHOURHHRFHVAZ-MRXNPFEDSA-N 1 0 374.397 2.500 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658490 551018561 /nfs/dbraw/zinc/01/85/61/551018561.db2.gz DSUJMWUPJQAXSG-DIFFPNOSSA-N 1 0 359.386 2.164 20 5 FEBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281283906 551081020 /nfs/dbraw/zinc/08/10/20/551081020.db2.gz XLMLFXSZAXSGOI-UHFFFAOYSA-N 1 0 365.814 2.102 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000281652108 551126021 /nfs/dbraw/zinc/12/60/21/551126021.db2.gz KAWACUJNJXCIOI-LJQANCHMSA-N 1 0 374.393 2.242 20 5 FEBDRO CN(CC(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390051 561500009 /nfs/dbraw/zinc/50/00/09/561500009.db2.gz YNRPBGKBNVZBDU-SJORKVTESA-N 1 0 368.437 2.245 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000282668862 551257852 /nfs/dbraw/zinc/25/78/52/551257852.db2.gz HIRVKPNQQDUILA-PIGZYNQJSA-N 1 0 352.387 2.243 20 5 FEBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(OCCO)CCOCC1 ZINC000282801539 551272025 /nfs/dbraw/zinc/27/20/25/551272025.db2.gz QUOVCJBSJSTSLX-HNNXBMFYSA-N 1 0 352.431 2.064 20 5 FEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283020491 551298582 /nfs/dbraw/zinc/29/85/82/551298582.db2.gz MGRYYRPSKBNLNZ-GOSISDBHSA-N 1 0 363.458 2.389 20 5 FEBDRO NC(=O)CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000283458619 551369456 /nfs/dbraw/zinc/36/94/56/551369456.db2.gz IXZPRNHKTOWRIU-UHFFFAOYSA-N 1 0 370.409 2.301 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCCOC)CC2)c1 ZINC000283948136 551455301 /nfs/dbraw/zinc/45/53/01/551455301.db2.gz LDMFQRFGIVPVLB-UHFFFAOYSA-N 1 0 365.430 2.224 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000284412462 551543866 /nfs/dbraw/zinc/54/38/66/551543866.db2.gz NYIUPZVFPMLVEO-BDJLRTHQSA-N 1 0 362.405 2.405 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000498470024 561524934 /nfs/dbraw/zinc/52/49/34/561524934.db2.gz XHHXUFBPLOXKBG-CQSZACIVSA-N 1 0 351.451 2.261 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498557606 561528424 /nfs/dbraw/zinc/52/84/24/561528424.db2.gz WGAVEEIJWSTOPF-RYUDHWBXSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000498711808 561532580 /nfs/dbraw/zinc/53/25/80/561532580.db2.gz VOFZTUBAMSTTKN-ZDUSSCGKSA-N 1 0 357.414 2.162 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285190342 551718449 /nfs/dbraw/zinc/71/84/49/551718449.db2.gz CIVOREYVOIUYFN-GXTWGEPZSA-N 1 0 353.444 2.151 20 5 FEBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000285267321 551729196 /nfs/dbraw/zinc/72/91/96/551729196.db2.gz XZKQXRBQOUVZRC-LBPRGKRZSA-N 1 0 351.403 2.409 20 5 FEBDRO C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285293058 551733044 /nfs/dbraw/zinc/73/30/44/551733044.db2.gz RSFHNXPRQVWSEC-YMTOWFKASA-N 1 0 373.335 2.011 20 5 FEBDRO COc1ccccc1O[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286339568 551876298 /nfs/dbraw/zinc/87/62/98/551876298.db2.gz GIHYOQUZMBJJMY-INIZCTEOSA-N 1 0 373.409 2.309 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC(COc2ccccc2)C1 ZINC000287239360 551979950 /nfs/dbraw/zinc/97/99/50/551979950.db2.gz ONCUGSLMEXLPIU-MRXNPFEDSA-N 1 0 358.394 2.345 20 5 FEBDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287793997 552047294 /nfs/dbraw/zinc/04/72/94/552047294.db2.gz TUBVZYKKHDEBLF-HNNXBMFYSA-N 1 0 361.402 2.203 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000499464369 561551527 /nfs/dbraw/zinc/55/15/27/561551527.db2.gz NLUNSFNXQRXAAU-HUUCEWRRSA-N 1 0 371.441 2.221 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000289306501 552298548 /nfs/dbraw/zinc/29/85/48/552298548.db2.gz SSYAWKFSRSZLIJ-SFHVURJKSA-N 1 0 363.414 2.218 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289590096 552345531 /nfs/dbraw/zinc/34/55/31/552345531.db2.gz PPMWYDWUPSZWRW-FHLIZLRMSA-N 1 0 362.426 2.368 20 5 FEBDRO CN1CCN(C(=O)C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000289953695 552404938 /nfs/dbraw/zinc/40/49/38/552404938.db2.gz YBBSQCBGSGAJLF-GQCTYLIASA-N 1 0 372.469 2.094 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290075759 552423739 /nfs/dbraw/zinc/42/37/39/552423739.db2.gz INRKFUMCTOSVKK-VXGBXAGGSA-N 1 0 353.806 2.085 20 5 FEBDRO CC1CC[NH+](C[C@H]2CCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000290679644 552518637 /nfs/dbraw/zinc/51/86/37/552518637.db2.gz SEPXOKKHQBDHQB-CQSZACIVSA-N 1 0 361.446 2.037 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000290989121 552573197 /nfs/dbraw/zinc/57/31/97/552573197.db2.gz SKEIVJQFOFTBTE-ZDUSSCGKSA-N 1 0 360.418 2.026 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291664619 552648629 /nfs/dbraw/zinc/64/86/29/552648629.db2.gz FZINHOUHRZNXJS-ZDUSSCGKSA-N 1 0 359.386 2.076 20 5 FEBDRO C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291686770 552651148 /nfs/dbraw/zinc/65/11/48/552651148.db2.gz FTJRVNSVEPCXKW-SECBINFHSA-N 1 0 351.375 2.201 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292241956 552708005 /nfs/dbraw/zinc/70/80/05/552708005.db2.gz JNTBPCSMZGQZOI-KRWDZBQOSA-N 1 0 351.378 2.443 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1SC ZINC000293509911 552831082 /nfs/dbraw/zinc/83/10/82/552831082.db2.gz SXKPFGRTWATHMN-ZYHUDNBSSA-N 1 0 351.428 2.149 20 5 FEBDRO C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293570213 552836494 /nfs/dbraw/zinc/83/64/94/552836494.db2.gz DJQQVGURRRKKAM-CYBMUJFWSA-N 1 0 363.439 2.443 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000294953668 552947019 /nfs/dbraw/zinc/94/70/19/552947019.db2.gz DHRVZSOFBFIHLN-GUYCJALGSA-N 1 0 364.446 2.404 20 5 FEBDRO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000295036140 552952877 /nfs/dbraw/zinc/95/28/77/552952877.db2.gz MBVOZICHPBYIGX-LBPRGKRZSA-N 1 0 367.427 2.272 20 5 FEBDRO Cn1ccnc1[C@H]1N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295202519 552969226 /nfs/dbraw/zinc/96/92/26/552969226.db2.gz FLODWSHEEZHIRY-CYBMUJFWSA-N 1 0 350.400 2.100 20 5 FEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502015573 561610058 /nfs/dbraw/zinc/61/00/58/561610058.db2.gz HLYRDEGOIZLKLZ-CJNGLKHVSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000295441709 553007509 /nfs/dbraw/zinc/00/75/09/553007509.db2.gz WTFZXXVGEIHXQK-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000295923362 553076179 /nfs/dbraw/zinc/07/61/79/553076179.db2.gz FMHKYIRIWFQORM-VXGBXAGGSA-N 1 0 361.402 2.498 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000296077886 553101124 /nfs/dbraw/zinc/10/11/24/553101124.db2.gz OYXDXUVIFVBYEG-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000296422017 553157063 /nfs/dbraw/zinc/15/70/63/553157063.db2.gz VRKIHWDUURHPGT-OLMNPRSZSA-N 1 0 357.410 2.031 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297272225 553271873 /nfs/dbraw/zinc/27/18/73/553271873.db2.gz UQKXLBKKCYMTNO-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO COC(=O)Cc1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000297438784 553292354 /nfs/dbraw/zinc/29/23/54/553292354.db2.gz INJSDMVTRMFVGM-INIZCTEOSA-N 1 0 361.442 2.478 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297733688 553331943 /nfs/dbraw/zinc/33/19/43/553331943.db2.gz CBLFOCOYPZNOHX-OAHLLOKOSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000298019019 553372191 /nfs/dbraw/zinc/37/21/91/553372191.db2.gz CZZZMMWZFBXPKA-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000298368604 553417430 /nfs/dbraw/zinc/41/74/30/553417430.db2.gz CRSBPZTZSDSBSO-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000298608821 553448490 /nfs/dbraw/zinc/44/84/90/553448490.db2.gz LYGDFWUROPKRIS-UHFFFAOYSA-N 1 0 362.430 2.093 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298916630 553489107 /nfs/dbraw/zinc/48/91/07/553489107.db2.gz GVXOESGGQMELSF-CYBMUJFWSA-N 1 0 350.419 2.277 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C[NH+]1CCCCC1 ZINC000299021599 553504463 /nfs/dbraw/zinc/50/44/63/553504463.db2.gz VSDAWGNXLVRWID-ZDUSSCGKSA-N 1 0 363.414 2.218 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000299234322 553534583 /nfs/dbraw/zinc/53/45/83/553534583.db2.gz JPHYNYDOIZRTIN-IUODEOHRSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299385056 553556246 /nfs/dbraw/zinc/55/62/46/553556246.db2.gz YVIMCTPUPIMGLN-MRXNPFEDSA-N 1 0 357.414 2.053 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000301346636 553644093 /nfs/dbraw/zinc/64/40/93/553644093.db2.gz JZALEGNQSMPPJN-LBPRGKRZSA-N 1 0 352.391 2.082 20 5 FEBDRO C[C@@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000301444606 553652173 /nfs/dbraw/zinc/65/21/73/553652173.db2.gz VEXYYXPCXGUPCG-UKRRQHHQSA-N 1 0 371.441 2.478 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301511338 553656921 /nfs/dbraw/zinc/65/69/21/553656921.db2.gz DCQRJGRQEJRINN-NSHDSACASA-N 1 0 372.267 2.190 20 5 FEBDRO Cc1nccn1-c1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cn1 ZINC000302002492 553697164 /nfs/dbraw/zinc/69/71/64/553697164.db2.gz QYZNEZKYRQEQHU-UHFFFAOYSA-N 1 0 350.342 2.139 20 5 FEBDRO C[C@@H]1CCC[C@@](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000302114463 553704795 /nfs/dbraw/zinc/70/47/95/553704795.db2.gz BYKGVRQAPFCTLC-MLGOLLRUSA-N 1 0 370.475 2.165 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000322427806 553768622 /nfs/dbraw/zinc/76/86/22/553768622.db2.gz NSFQAVOASCPJOJ-GXFFZTMASA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324201852 553771559 /nfs/dbraw/zinc/77/15/59/553771559.db2.gz NCSWLSQXHNRLIB-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000326721329 553783108 /nfs/dbraw/zinc/78/31/08/553783108.db2.gz CGPYJRHAJLSSGV-NHYWBVRUSA-N 1 0 373.862 2.306 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000506055178 561688815 /nfs/dbraw/zinc/68/88/15/561688815.db2.gz BMEATYHDIBWOHN-INIZCTEOSA-N 1 0 358.446 2.119 20 5 FEBDRO C[C@@H]1CCC[C@H](C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507875440 561744114 /nfs/dbraw/zinc/74/41/14/561744114.db2.gz PXPIWGHWCQZYLA-KGLIPLIRSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000330421973 554119664 /nfs/dbraw/zinc/11/96/64/554119664.db2.gz QLFXJMAXPNXNGC-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H]1CCC[C@@H](C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000507952534 561747074 /nfs/dbraw/zinc/74/70/74/561747074.db2.gz SAXBVXAXSSIJMV-UONOGXRCSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1C ZINC000331389837 554256429 /nfs/dbraw/zinc/25/64/29/554256429.db2.gz LYEHHYBAZJWTSL-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331865094 554333969 /nfs/dbraw/zinc/33/39/69/554333969.db2.gz GANSUAZADGLYFF-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331881154 554337680 /nfs/dbraw/zinc/33/76/80/554337680.db2.gz IMGPTBAZMNFOFN-DOMZBBRYSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000332158516 554392215 /nfs/dbraw/zinc/39/22/15/554392215.db2.gz XZDKJCSSGFKJKW-UHFFFAOYSA-N 1 0 374.485 2.393 20 5 FEBDRO COc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000332199665 554399815 /nfs/dbraw/zinc/39/98/15/554399815.db2.gz QEDZPIRISCFAME-HIFRSBDPSA-N 1 0 365.455 2.255 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332236781 554407411 /nfs/dbraw/zinc/40/74/11/554407411.db2.gz RXRYEKSLYIQBAB-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000332329941 554426676 /nfs/dbraw/zinc/42/66/76/554426676.db2.gz PETXDLDXFKSXIQ-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000332381718 554435529 /nfs/dbraw/zinc/43/55/29/554435529.db2.gz HEPIGTYIOOJQNC-KBXCAEBGSA-N 1 0 350.438 2.192 20 5 FEBDRO C[NH+](C)C1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000332392701 554437776 /nfs/dbraw/zinc/43/77/76/554437776.db2.gz NALKGUXXGNKEDF-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332445877 554447652 /nfs/dbraw/zinc/44/76/52/554447652.db2.gz KUPBWLBVYZFPFK-XIKOKIGWSA-N 1 0 360.414 2.274 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000332445875 554447661 /nfs/dbraw/zinc/44/76/61/554447661.db2.gz KUPBWLBVYZFPFK-SGTLLEGYSA-N 1 0 360.414 2.274 20 5 FEBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360524233 554878063 /nfs/dbraw/zinc/87/80/63/554878063.db2.gz WRHFYSCEXQIANA-DZGCQCFKSA-N 1 0 368.821 2.311 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363187804 555048915 /nfs/dbraw/zinc/04/89/15/555048915.db2.gz SGEIEQLTJRUQHT-LBPRGKRZSA-N 1 0 363.414 2.359 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363238716 555061293 /nfs/dbraw/zinc/06/12/93/555061293.db2.gz IRCHWPDOLMPTFV-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)c1 ZINC000363426005 555102768 /nfs/dbraw/zinc/10/27/68/555102768.db2.gz ALIYMKFGOQEBOT-QZTJIDSGSA-N 1 0 359.430 2.458 20 5 FEBDRO O=C(NC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC000363651524 555155372 /nfs/dbraw/zinc/15/53/72/555155372.db2.gz MMVUUXKHOUXOPD-UHFFFAOYSA-N 1 0 358.398 2.196 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000363799480 555188655 /nfs/dbraw/zinc/18/86/55/555188655.db2.gz ZAKYRYHSNGEAQF-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364376529 555302285 /nfs/dbraw/zinc/30/22/85/555302285.db2.gz KBSJNHWWWXJQOO-UHFFFAOYSA-N 1 0 358.402 2.230 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1OC ZINC000364654232 555363825 /nfs/dbraw/zinc/36/38/25/555363825.db2.gz MVWQZMSXJHBEJH-GOSISDBHSA-N 1 0 363.414 2.056 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364743352 555391775 /nfs/dbraw/zinc/39/17/75/555391775.db2.gz QBJYTMYGULOYLJ-SJORKVTESA-N 1 0 360.414 2.086 20 5 FEBDRO COC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1(C)C ZINC000364765598 555396397 /nfs/dbraw/zinc/39/63/97/555396397.db2.gz XVWDGIGZCRRMLG-AWEZNQCLSA-N 1 0 363.414 2.363 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512821316 561916782 /nfs/dbraw/zinc/91/67/82/561916782.db2.gz BHFXDSXCOOMYQB-NSHDSACASA-N 1 0 373.356 2.493 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000365219044 555513656 /nfs/dbraw/zinc/51/36/56/555513656.db2.gz HLOMIHDYTGXHPW-RZQQEMMASA-N 1 0 372.421 2.220 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000513007921 561922442 /nfs/dbraw/zinc/92/24/42/561922442.db2.gz YNOXCGWQPXGYKI-QXSWTLKVSA-N 1 0 367.471 2.402 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513021589 561922635 /nfs/dbraw/zinc/92/26/35/561922635.db2.gz GNINAOCZPFLAFO-PMGBHYCQSA-N 1 0 353.444 2.012 20 5 FEBDRO Cn1c(=O)oc2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)ccc21 ZINC000513291423 561932420 /nfs/dbraw/zinc/93/24/20/561932420.db2.gz JGGAGRHUODQISA-UHFFFAOYSA-N 1 0 357.370 2.073 20 5 FEBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000365651577 555631944 /nfs/dbraw/zinc/63/19/44/555631944.db2.gz WSFOPZGKXRQVRU-OAHLLOKOSA-N 1 0 356.382 2.090 20 5 FEBDRO Cc1nn(C)cc1[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000366098580 555751045 /nfs/dbraw/zinc/75/10/45/555751045.db2.gz VSJXCDAFBKHFSR-QGZVFWFLSA-N 1 0 369.425 2.363 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)c1C ZINC000366474106 555854143 /nfs/dbraw/zinc/85/41/43/555854143.db2.gz MAZIPFAVZSTEKC-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000366550741 555874240 /nfs/dbraw/zinc/87/42/40/555874240.db2.gz GOTPVQSZXDLRHX-ZIAGYGMSSA-N 1 0 365.434 2.123 20 5 FEBDRO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366744284 555923693 /nfs/dbraw/zinc/92/36/93/555923693.db2.gz ICZDEBIWNLVIQA-ZNMIVQPWSA-N 1 0 363.462 2.321 20 5 FEBDRO CN1Cc2ccccc2[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000366766648 555928733 /nfs/dbraw/zinc/92/87/33/555928733.db2.gz RPLSRPVQZMDTOY-KRWDZBQOSA-N 1 0 361.423 2.201 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000515046109 561993562 /nfs/dbraw/zinc/99/35/62/561993562.db2.gz KPYTVDCOBDBXJM-LBPRGKRZSA-N 1 0 351.794 2.014 20 5 FEBDRO Cn1ccnc1[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000515166681 561998801 /nfs/dbraw/zinc/99/88/01/561998801.db2.gz ZSCKUZORMDLIEM-BBRMVZONSA-N 1 0 373.413 2.167 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(F)cc1 ZINC000368417939 556302751 /nfs/dbraw/zinc/30/27/51/556302751.db2.gz VGRJZHLTBKNOAK-IAGOWNOFSA-N 1 0 359.357 2.066 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368561418 556346218 /nfs/dbraw/zinc/34/62/18/556346218.db2.gz KHDWWVKTNLNWKZ-ZDUSSCGKSA-N 1 0 353.854 2.107 20 5 FEBDRO COC(=O)c1cnc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000368974095 556464185 /nfs/dbraw/zinc/46/41/85/556464185.db2.gz NVEJZVCFIATMDD-AWEZNQCLSA-N 1 0 374.441 2.477 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)COCc3cccs3)C2)c1 ZINC000369020330 556478835 /nfs/dbraw/zinc/47/88/35/556478835.db2.gz WQRMFNICTULHIP-HIFRSBDPSA-N 1 0 366.443 2.067 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000369311654 556571897 /nfs/dbraw/zinc/57/18/97/556571897.db2.gz XWXJUKUCXSZVNM-AHKGRUIUSA-N 1 0 372.469 2.094 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc1C ZINC000369533369 556623026 /nfs/dbraw/zinc/62/30/26/556623026.db2.gz SJBBTVFRBSFOQN-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369551155 556628756 /nfs/dbraw/zinc/62/87/56/556628756.db2.gz RNUKEETZDYFFOM-AATRIKPKSA-N 1 0 359.426 2.321 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000516248808 562037280 /nfs/dbraw/zinc/03/72/80/562037280.db2.gz UQAJUGOFQLQJHN-UHFFFAOYSA-N 1 0 374.441 2.373 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000516323316 562039864 /nfs/dbraw/zinc/03/98/64/562039864.db2.gz WSJDIUXYTRJSBE-NSHDSACASA-N 1 0 358.826 2.463 20 5 FEBDRO O=C(CC[NH+]1CCC(CN2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000369809774 556701225 /nfs/dbraw/zinc/70/12/25/556701225.db2.gz FLEDQJPCGSDNOV-UHFFFAOYSA-N 1 0 374.441 2.258 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1SC ZINC000370159308 556797300 /nfs/dbraw/zinc/79/73/00/556797300.db2.gz HZKUDTXKFVTTPJ-CMPLNLGQSA-N 1 0 351.428 2.149 20 5 FEBDRO CCc1nc(CN2C[C@H]3C[NH+](CCc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000370744651 556955698 /nfs/dbraw/zinc/95/56/98/556955698.db2.gz IAALXMVFXUDTBP-HZPDHXFCSA-N 1 0 371.441 2.147 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000370827194 556981299 /nfs/dbraw/zinc/98/12/99/556981299.db2.gz QSWUTXNORWKDHM-HFBAOOFYSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000370828833 556982238 /nfs/dbraw/zinc/98/22/38/556982238.db2.gz BNDMGZSDRKXYCL-HNNXBMFYSA-N 1 0 354.410 2.371 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370908244 557010823 /nfs/dbraw/zinc/01/08/23/557010823.db2.gz AOXKPKCGJLQMDQ-KSSFIOAISA-N 1 0 371.441 2.450 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000517236507 562081851 /nfs/dbraw/zinc/08/18/51/562081851.db2.gz YQCONKAKQUOWMW-RDJZCZTQSA-N 1 0 352.431 2.113 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000517538426 562091970 /nfs/dbraw/zinc/09/19/70/562091970.db2.gz LPNFTIXHWCKRID-UHFFFAOYSA-N 1 0 362.430 2.149 20 5 FEBDRO CC(=O)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000518963730 562122083 /nfs/dbraw/zinc/12/20/83/562122083.db2.gz LZDALVARCBONQU-KRWDZBQOSA-N 1 0 373.409 2.125 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000372332691 557442653 /nfs/dbraw/zinc/44/26/53/557442653.db2.gz TYAYBUVJWWJOJW-CYBMUJFWSA-N 1 0 361.358 2.415 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372907061 557585748 /nfs/dbraw/zinc/58/57/48/557585748.db2.gz PADJROPFSCMWLM-ZANVPECISA-N 1 0 354.204 2.181 20 5 FEBDRO CN1C[C@@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000519759058 562142695 /nfs/dbraw/zinc/14/26/95/562142695.db2.gz MWPHEMJOJBBJRD-HNNXBMFYSA-N 1 0 358.398 2.345 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000555865939 674379318 /nfs/dbraw/zinc/37/93/18/674379318.db2.gz AZAGYAPZEXEIPF-SNVBAGLBSA-N 1 0 356.220 2.490 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000373083295 557624589 /nfs/dbraw/zinc/62/45/89/557624589.db2.gz ZUIWJKLGHYUGMT-OAHLLOKOSA-N 1 0 366.849 2.475 20 5 FEBDRO Cc1ccccc1OC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240999 557656701 /nfs/dbraw/zinc/65/67/01/557656701.db2.gz IZIJWUOEMNHRKJ-MRXNPFEDSA-N 1 0 360.414 2.177 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000373607477 557728395 /nfs/dbraw/zinc/72/83/95/557728395.db2.gz AOKPKUINOPYECP-FUHWJXTLSA-N 1 0 355.398 2.124 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000373907491 557784413 /nfs/dbraw/zinc/78/44/13/557784413.db2.gz AKYCIEZRAPIMDZ-RTCCRHLQSA-N 1 0 359.835 2.199 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC000520408466 562155831 /nfs/dbraw/zinc/15/58/31/562155831.db2.gz SKMPQNRRSOXGLQ-MRXNPFEDSA-N 1 0 360.458 2.445 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCCOC(C)(C)C1 ZINC000374244077 557849689 /nfs/dbraw/zinc/84/96/89/557849689.db2.gz UFROACJWHGGRKQ-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCN2C2CC2)c1 ZINC000374850215 557940533 /nfs/dbraw/zinc/94/05/33/557940533.db2.gz KVBGPXUPSKFCFU-WMZOPIPTSA-N 1 0 371.441 2.405 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375010346 557963865 /nfs/dbraw/zinc/96/38/65/557963865.db2.gz APZYLWIHIHNSGP-LZLYRXPVSA-N 1 0 364.442 2.473 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000375623732 558058227 /nfs/dbraw/zinc/05/82/27/558058227.db2.gz LBDUIYTUVZBSJW-ZBFHGGJFSA-N 1 0 367.471 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375887031 558093839 /nfs/dbraw/zinc/09/38/39/558093839.db2.gz BKKRTMLOSIDMKF-SFHVURJKSA-N 1 0 362.474 2.204 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375989021 558110479 /nfs/dbraw/zinc/11/04/79/558110479.db2.gz HRRQSOCXIZRHQT-INIZCTEOSA-N 1 0 370.365 2.428 20 5 FEBDRO Cc1nc(CN(C)[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)no1 ZINC000376686350 558208538 /nfs/dbraw/zinc/20/85/38/558208538.db2.gz DHXLIYUDWXUMDF-AWEZNQCLSA-N 1 0 360.418 2.481 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([N+](=O)[O-])c1 ZINC000376767060 558219071 /nfs/dbraw/zinc/21/90/71/558219071.db2.gz GPIZIODVMDSIRC-BBRMVZONSA-N 1 0 365.386 2.160 20 5 FEBDRO C[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000521861788 562185257 /nfs/dbraw/zinc/18/52/57/562185257.db2.gz OTVDVRMNXQVRDF-HNNXBMFYSA-N 1 0 370.247 2.406 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521902893 562186172 /nfs/dbraw/zinc/18/61/72/562186172.db2.gz VFPWRQFXRGXLEF-UHFFFAOYSA-N 1 0 352.435 2.203 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000377078846 558261576 /nfs/dbraw/zinc/26/15/76/558261576.db2.gz QGIAOSQOIPUYGO-MRXNPFEDSA-N 1 0 357.366 2.419 20 5 FEBDRO CO[C@@H]1CC[C@H]2OCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000377119641 558269974 /nfs/dbraw/zinc/26/99/74/558269974.db2.gz KPNBSEOQPWFNOQ-KBRIMQKVSA-N 1 0 363.414 2.192 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000377236928 558295692 /nfs/dbraw/zinc/29/56/92/558295692.db2.gz GVNFYMCAYGQEPZ-BTTYYORXSA-N 1 0 365.434 2.311 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000522247070 562194990 /nfs/dbraw/zinc/19/49/90/562194990.db2.gz ROITZWXMTKBQJQ-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CN1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000377645948 558385805 /nfs/dbraw/zinc/38/58/05/558385805.db2.gz GVSMJYIXTSDERD-AEFFLSMTSA-N 1 0 372.400 2.368 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000377780532 558418412 /nfs/dbraw/zinc/41/84/12/558418412.db2.gz QKBJINJBGPZVOV-CQSZACIVSA-N 1 0 373.413 2.384 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cc(F)c3F)CC2)CCO1 ZINC000377842221 558433548 /nfs/dbraw/zinc/43/35/48/558433548.db2.gz CDFOFQDCAMBVKC-NSHDSACASA-N 1 0 369.368 2.198 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000378148775 558491213 /nfs/dbraw/zinc/49/12/13/558491213.db2.gz IGVKCWZZMABACF-MTGFJVSHSA-N 1 0 361.442 2.079 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000378222339 558505114 /nfs/dbraw/zinc/50/51/14/558505114.db2.gz HMBRFFTZPLEPJZ-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000378531994 558576483 /nfs/dbraw/zinc/57/64/83/558576483.db2.gz IYKTYSJTHSVKEX-UHFFFAOYSA-N 1 0 358.402 2.112 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000408171762 558653322 /nfs/dbraw/zinc/65/33/22/558653322.db2.gz NLZSFVBJNFBCHI-SJPCQFCGSA-N 1 0 359.474 2.354 20 5 FEBDRO O=C(CC[NH+]1CCN(c2cccc(O)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411159025 558846690 /nfs/dbraw/zinc/84/66/90/558846690.db2.gz QDTGAKNGBVFALK-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000411403194 558888695 /nfs/dbraw/zinc/88/86/95/558888695.db2.gz VVFYAEHDYNFMIZ-OAHLLOKOSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411856899 558977345 /nfs/dbraw/zinc/97/73/45/558977345.db2.gz RXAMURBGPLHBMK-UHFFFAOYSA-N 1 0 373.413 2.114 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000411875857 558980597 /nfs/dbraw/zinc/98/05/97/558980597.db2.gz PIBJFSCMWQKBSM-OAHLLOKOSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411964289 558996325 /nfs/dbraw/zinc/99/63/25/558996325.db2.gz DBEZMWCKTQGWPN-GTNSWQLSSA-N 1 0 351.403 2.335 20 5 FEBDRO CC(C)(CN1CCOCC1)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000411998395 559001006 /nfs/dbraw/zinc/00/10/06/559001006.db2.gz NGKNLZUBRMQIMV-UHFFFAOYSA-N 1 0 360.414 2.450 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003517 559001490 /nfs/dbraw/zinc/00/14/90/559001490.db2.gz XGAXMCKDUZMGPV-QZTJIDSGSA-N 1 0 372.425 2.006 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412130521 559016239 /nfs/dbraw/zinc/01/62/39/559016239.db2.gz VNYQNVMABKWHHH-ZWKOTPCHSA-N 1 0 361.442 2.268 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1F ZINC000412186462 559019091 /nfs/dbraw/zinc/01/90/91/559019091.db2.gz SCFFZJLZGGYJEP-YPMHNXCESA-N 1 0 353.394 2.130 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412270690 559023978 /nfs/dbraw/zinc/02/39/78/559023978.db2.gz PDBQFWVKPAXDAO-RRQGHBQHSA-N 1 0 361.442 2.002 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C2(OC)CCC2)cc1[N+](=O)[O-] ZINC000414522273 559169867 /nfs/dbraw/zinc/16/98/67/559169867.db2.gz GMKMPYPZGARXHX-GFCCVEGCSA-N 1 0 352.387 2.194 20 5 FEBDRO CCOc1cc(NC(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414755259 559185347 /nfs/dbraw/zinc/18/53/47/559185347.db2.gz HDVYPRQNNODNHE-GFCCVEGCSA-N 1 0 352.391 2.251 20 5 FEBDRO COc1cc(CNC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414881834 559192742 /nfs/dbraw/zinc/19/27/42/559192742.db2.gz AXOQMPRNWDGHFO-LLVKDONJSA-N 1 0 363.336 2.371 20 5 FEBDRO CC[C@H]([NH3+])CNCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000414986644 559199140 /nfs/dbraw/zinc/19/91/40/559199140.db2.gz XZNXCYPTFXGNMI-JTQLQIEISA-N 1 0 351.325 2.371 20 5 FEBDRO CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000415013041 559200677 /nfs/dbraw/zinc/20/06/77/559200677.db2.gz UMCNWDPAOPDFRL-UHFFFAOYSA-N 1 0 370.409 2.002 20 5 FEBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415105049 559205504 /nfs/dbraw/zinc/20/55/04/559205504.db2.gz FREABLUSKSCFJI-UHFFFAOYSA-N 1 0 370.409 2.429 20 5 FEBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000570130949 568453084 /nfs/dbraw/zinc/45/30/84/568453084.db2.gz YLVOBCZTJWUFNV-UHFFFAOYSA-N 1 0 364.183 2.402 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416663107 559328504 /nfs/dbraw/zinc/32/85/04/559328504.db2.gz PTWYQWTYTJHGGY-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H](NC(=O)N1CCC(OCCC[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417143771 559349832 /nfs/dbraw/zinc/34/98/32/559349832.db2.gz VCNAFTXDNKHLGB-CYBMUJFWSA-N 1 0 350.419 2.195 20 5 FEBDRO NC(=O)c1cn(CCCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000417366167 559359367 /nfs/dbraw/zinc/35/93/67/559359367.db2.gz NAAVXEKOMBKRPN-MRXNPFEDSA-N 1 0 372.429 2.123 20 5 FEBDRO CC[C@H](NC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860721 559379761 /nfs/dbraw/zinc/37/97/61/559379761.db2.gz YZFATGXJFHZBQC-PMPSAXMXSA-N 1 0 350.419 2.194 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417997895 559385804 /nfs/dbraw/zinc/38/58/04/559385804.db2.gz UQFLYEFEMQWUMS-GZBFAFLISA-N 1 0 366.849 2.478 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000418082031 559389462 /nfs/dbraw/zinc/38/94/62/559389462.db2.gz HVAATNJKGPVHJX-HAQNSBGRSA-N 1 0 360.418 2.035 20 5 FEBDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418373344 559399390 /nfs/dbraw/zinc/39/93/90/559399390.db2.gz BOIOUKPXNQWNTF-MRXNPFEDSA-N 1 0 350.419 2.131 20 5 FEBDRO C[NH2+]C[C@@H](C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000420217838 559476789 /nfs/dbraw/zinc/47/67/89/559476789.db2.gz XQSAKOGATJNYRI-CYBMUJFWSA-N 1 0 370.475 2.037 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420398851 559485378 /nfs/dbraw/zinc/48/53/78/559485378.db2.gz ZFPHFVYVRAZHIE-UYHISHBKSA-N 1 0 372.400 2.488 20 5 FEBDRO C[C@@H](CCC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420446833 559487772 /nfs/dbraw/zinc/48/77/72/559487772.db2.gz UJYMKZAZMKKWLI-QMMMGPOBSA-N 1 0 355.338 2.019 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420592161 559493266 /nfs/dbraw/zinc/49/32/66/559493266.db2.gz ZJDJVWYVLVJLGG-UHFFFAOYSA-N 1 0 358.398 2.246 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422011506 559560566 /nfs/dbraw/zinc/56/05/66/559560566.db2.gz UQHSCGZULJPFLD-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC[NH2+]1 ZINC000422837280 559608017 /nfs/dbraw/zinc/60/80/17/559608017.db2.gz LTRKSNJMXOQZLJ-SNVBAGLBSA-N 1 0 357.360 2.393 20 5 FEBDRO [NH3+]CC1(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000422930928 559611763 /nfs/dbraw/zinc/61/17/63/559611763.db2.gz ACTAENIMFLHECI-UHFFFAOYSA-N 1 0 360.336 2.271 20 5 FEBDRO Cn1ccnc1[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423434903 559629092 /nfs/dbraw/zinc/62/90/92/559629092.db2.gz KTYWYPRXHMNARU-KSZLIROESA-N 1 0 355.442 2.395 20 5 FEBDRO Cn1ccnc1[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423434904 559629169 /nfs/dbraw/zinc/62/91/69/559629169.db2.gz KTYWYPRXHMNARU-RCCFBDPRSA-N 1 0 355.442 2.395 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000423568674 559632473 /nfs/dbraw/zinc/63/24/73/559632473.db2.gz FAKUWTJISCQSQG-ZDUSSCGKSA-N 1 0 361.427 2.164 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423982263 559648886 /nfs/dbraw/zinc/64/88/86/559648886.db2.gz IKDDZCIWFCKZGV-SJKOYZFVSA-N 1 0 367.471 2.280 20 5 FEBDRO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000423997111 559649858 /nfs/dbraw/zinc/64/98/58/559649858.db2.gz LARPHTDMQDGYQL-INIZCTEOSA-N 1 0 371.393 2.399 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424006579 559650522 /nfs/dbraw/zinc/65/05/22/559650522.db2.gz UPCSGBCSGWKBCA-HZPDHXFCSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424029835 559651878 /nfs/dbraw/zinc/65/18/78/559651878.db2.gz ZQIUAVMIOCVZIR-NXEZZACHSA-N 1 0 356.220 2.414 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000424056097 559652844 /nfs/dbraw/zinc/65/28/44/559652844.db2.gz BOYIKHQCABCPMQ-LOWVWBTDSA-N 1 0 351.403 2.057 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C[NH3+] ZINC000424081136 559654113 /nfs/dbraw/zinc/65/41/13/559654113.db2.gz WHVNPWWDFYYEMJ-RDBSUJKOSA-N 1 0 357.414 2.226 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425430184 559702047 /nfs/dbraw/zinc/70/20/47/559702047.db2.gz DMXMRRJYNUZCKL-RYUDHWBXSA-N 1 0 372.263 2.244 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000425658017 559713459 /nfs/dbraw/zinc/71/34/59/559713459.db2.gz GMTDVWKBMPNYMR-UHFFFAOYSA-N 1 0 350.419 2.478 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000426371885 559733634 /nfs/dbraw/zinc/73/36/34/559733634.db2.gz NATJJTHGRGXKFQ-GFCCVEGCSA-N 1 0 354.428 2.474 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000427373667 559754344 /nfs/dbraw/zinc/75/43/44/559754344.db2.gz BRBYUBIFYUBSTP-ZBFHGGJFSA-N 1 0 371.441 2.452 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429402141 559797906 /nfs/dbraw/zinc/79/79/06/559797906.db2.gz NDAULPQBAIIVNN-KCXAZCMYSA-N 1 0 363.414 2.441 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000429502710 559799944 /nfs/dbraw/zinc/79/99/44/559799944.db2.gz IFPTTWCBZOQRCW-HOCLYGCPSA-N 1 0 351.403 2.479 20 5 FEBDRO COC(=O)C[C@@](C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000429667199 559803550 /nfs/dbraw/zinc/80/35/50/559803550.db2.gz JBEUXTIZOIBVSZ-GOSISDBHSA-N 1 0 359.382 2.437 20 5 FEBDRO CC[NH2+]CC1CCN(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000430584350 559823731 /nfs/dbraw/zinc/82/37/31/559823731.db2.gz PFHDHMVMWMXFJT-UHFFFAOYSA-N 1 0 364.446 2.254 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000430824398 559828772 /nfs/dbraw/zinc/82/87/72/559828772.db2.gz BCAPUNQBJNGMJZ-CABCVRRESA-N 1 0 351.451 2.117 20 5 FEBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)n(C2CC[NH+](C)CC2)n1 ZINC000431603687 559842275 /nfs/dbraw/zinc/84/22/75/559842275.db2.gz KJBXNJJGVRIYQF-UHFFFAOYSA-N 1 0 358.402 2.201 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433066651 559871024 /nfs/dbraw/zinc/87/10/24/559871024.db2.gz KKYFCJPDEQONCW-RDTXWAMCSA-N 1 0 357.410 2.457 20 5 FEBDRO CN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000433665334 559885877 /nfs/dbraw/zinc/88/58/77/559885877.db2.gz UVXXDIAOZNAQKY-UHFFFAOYSA-N 1 0 356.231 2.084 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241635 559918674 /nfs/dbraw/zinc/91/86/74/559918674.db2.gz VMIPNGHKGXMBNH-NSHDSACASA-N 1 0 354.204 2.324 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000438282049 559976569 /nfs/dbraw/zinc/97/65/69/559976569.db2.gz KHCDFGGJDDXPPD-PJSAGSTRSA-N 1 0 372.425 2.400 20 5 FEBDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000440502130 560012603 /nfs/dbraw/zinc/01/26/03/560012603.db2.gz GMWNDIDVMXYEJZ-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000440522393 560013507 /nfs/dbraw/zinc/01/35/07/560013507.db2.gz ZFGRYBUDZVNPPI-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201021 560026037 /nfs/dbraw/zinc/02/60/37/560026037.db2.gz DCJXMMFMINYOHJ-RVKKMQEKSA-N 1 0 359.426 2.449 20 5 FEBDRO COC(=O)[C@H]1CC12CC[NH+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC2 ZINC000441396127 560031342 /nfs/dbraw/zinc/03/13/42/560031342.db2.gz UAGRIVIOSCTJHT-CQSZACIVSA-N 1 0 364.398 2.257 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000442602059 560053253 /nfs/dbraw/zinc/05/32/53/560053253.db2.gz UXUGKFOTTLANRA-ZDUSSCGKSA-N 1 0 367.471 2.424 20 5 FEBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000442625134 560053604 /nfs/dbraw/zinc/05/36/04/560053604.db2.gz SNOMHXGVRIZDKC-LLVKDONJSA-N 1 0 370.247 2.487 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000446336020 560144443 /nfs/dbraw/zinc/14/44/43/560144443.db2.gz CSYUOEWDKDPUEE-LBPRGKRZSA-N 1 0 355.822 2.085 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000446469076 560146358 /nfs/dbraw/zinc/14/63/58/560146358.db2.gz RSMJVEPYHVPWQO-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(NC(=O)C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000446670120 560149468 /nfs/dbraw/zinc/14/94/68/560149468.db2.gz AFUOEZFXFPJWDB-UHFFFAOYSA-N 1 0 372.381 2.242 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000447513559 560163648 /nfs/dbraw/zinc/16/36/48/560163648.db2.gz XIDRACDLFPZQRS-SJCJKPOMSA-N 1 0 371.441 2.327 20 5 FEBDRO O=C(NCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447559827 560164430 /nfs/dbraw/zinc/16/44/30/560164430.db2.gz BDDWNIAXSDNCQK-JKSUJKDBSA-N 1 0 357.414 2.295 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726843 560196629 /nfs/dbraw/zinc/19/66/29/560196629.db2.gz VGXFBQYRPPQKHP-LSDHHAIUSA-N 1 0 355.398 2.137 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C(=O)C2CCC2)CC1 ZINC000449148373 560218296 /nfs/dbraw/zinc/21/82/96/560218296.db2.gz KCWHBIUYERMTJW-MRXNPFEDSA-N 1 0 374.485 2.060 20 5 FEBDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449300008 560224085 /nfs/dbraw/zinc/22/40/85/560224085.db2.gz NNWDUXHFVVREKL-HNNXBMFYSA-N 1 0 371.437 2.483 20 5 FEBDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000449523601 560232578 /nfs/dbraw/zinc/23/25/78/560232578.db2.gz NVTURWVWYSSYPC-BETUJISGSA-N 1 0 357.391 2.028 20 5 FEBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449624340 560234996 /nfs/dbraw/zinc/23/49/96/560234996.db2.gz NVRSNTYFMLGEQX-AWEZNQCLSA-N 1 0 360.418 2.185 20 5 FEBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000449700311 560237218 /nfs/dbraw/zinc/23/72/18/560237218.db2.gz AQGIFWIKOLUTKD-LBPRGKRZSA-N 1 0 356.220 2.475 20 5 FEBDRO COC(=O)COc1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000449779545 560239798 /nfs/dbraw/zinc/23/97/98/560239798.db2.gz XWBXTFAMKYEZEV-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO COC(=O)Cc1ccc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000450223034 560254473 /nfs/dbraw/zinc/25/44/73/560254473.db2.gz ITHZLKPBYDQLLO-OAHLLOKOSA-N 1 0 365.430 2.079 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@H+](C)CCO)CC1 ZINC000450316775 560258302 /nfs/dbraw/zinc/25/83/02/560258302.db2.gz GBMFULNWVLHFJB-UHFFFAOYSA-N 1 0 360.414 2.045 20 5 FEBDRO CC[C@@H](O)C[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450342234 560259142 /nfs/dbraw/zinc/25/91/42/560259142.db2.gz RAGJLKQUCJXEHD-CYBMUJFWSA-N 1 0 360.414 2.045 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450361395 560259903 /nfs/dbraw/zinc/25/99/03/560259903.db2.gz NPIYXFGLVKVYAC-CYBMUJFWSA-N 1 0 360.414 2.045 20 5 FEBDRO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451093173 560286684 /nfs/dbraw/zinc/28/66/84/560286684.db2.gz NFQXIBXNBKUBRZ-KDOFPFPSSA-N 1 0 358.442 2.116 20 5 FEBDRO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000451330585 560300752 /nfs/dbraw/zinc/30/07/52/560300752.db2.gz PYRJGHDYMBUDAW-SFHVURJKSA-N 1 0 366.414 2.394 20 5 FEBDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335599 560301066 /nfs/dbraw/zinc/30/10/66/560301066.db2.gz DEHZQZPQZRHRSJ-QXAKKESOSA-N 1 0 373.453 2.499 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481129 560309558 /nfs/dbraw/zinc/30/95/58/560309558.db2.gz AETHAVKMGGZHAQ-PBHICJAKSA-N 1 0 351.403 2.335 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484796 560309805 /nfs/dbraw/zinc/30/98/05/560309805.db2.gz XSUAELLIGKTBTB-IAGOWNOFSA-N 1 0 359.426 2.421 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505478 560311013 /nfs/dbraw/zinc/31/10/13/560311013.db2.gz UHHPNUVQNNAFNK-UHNFBRDESA-N 1 0 351.403 2.191 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000451543482 560313630 /nfs/dbraw/zinc/31/36/30/560313630.db2.gz BYYMXQVWZADCLI-WMZOPIPTSA-N 1 0 364.442 2.331 20 5 FEBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452034823 560346974 /nfs/dbraw/zinc/34/69/74/560346974.db2.gz URFLZNHFANNCSJ-UHFFFAOYSA-N 1 0 374.363 2.492 20 5 FEBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452348712 560359024 /nfs/dbraw/zinc/35/90/24/560359024.db2.gz LQIITRITGPGMHQ-CQSZACIVSA-N 1 0 363.439 2.386 20 5 FEBDRO CCC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000453153026 560383992 /nfs/dbraw/zinc/38/39/92/560383992.db2.gz YDRBAXNIALWPSX-AWEZNQCLSA-N 1 0 355.460 2.432 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000453454339 560387118 /nfs/dbraw/zinc/38/71/18/560387118.db2.gz TXCZQHFOQNEKSW-XPKDYRNWSA-N 1 0 360.414 2.055 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000454297351 560438480 /nfs/dbraw/zinc/43/84/80/560438480.db2.gz HJVSATOSSJRGDC-LLVKDONJSA-N 1 0 356.810 2.217 20 5 FEBDRO CNc1nc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000454827892 560459913 /nfs/dbraw/zinc/45/99/13/560459913.db2.gz NNTNVULYZMLCFA-UHFFFAOYSA-N 1 0 359.386 2.224 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456013780 560504503 /nfs/dbraw/zinc/50/45/03/560504503.db2.gz VWIWIXVGDKODJK-OLZOCXBDSA-N 1 0 361.446 2.414 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000456891436 560535915 /nfs/dbraw/zinc/53/59/15/560535915.db2.gz FHPBFNZTYUHSQX-UHFFFAOYSA-N 1 0 373.457 2.222 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000456894816 560536064 /nfs/dbraw/zinc/53/60/64/560536064.db2.gz IGTSRGNBLYJOOK-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO Cc1cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458321300 560614954 /nfs/dbraw/zinc/61/49/54/560614954.db2.gz QAKPXZYKHVBPJC-UHFFFAOYSA-N 1 0 370.409 2.333 20 5 FEBDRO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514625 560628777 /nfs/dbraw/zinc/62/87/77/560628777.db2.gz RDSLLUHZOHEBQD-IRXDYDNUSA-N 1 0 364.446 2.192 20 5 FEBDRO O=c1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH]1 ZINC000459386746 560683794 /nfs/dbraw/zinc/68/37/94/560683794.db2.gz YIUDZYRXXKYAOR-GFCCVEGCSA-N 1 0 356.386 2.049 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459655419 560700531 /nfs/dbraw/zinc/70/05/31/560700531.db2.gz DEOTVGPDJFVPPO-GDBMZVCRSA-N 1 0 373.409 2.394 20 5 FEBDRO O=C1C[C@]2(CN1)CCC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000464799631 560851730 /nfs/dbraw/zinc/85/17/30/560851730.db2.gz QTHCUZYJQODEOY-IBGZPJMESA-N 1 0 370.409 2.394 20 5 FEBDRO C[NH+](C)CC1(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCC1 ZINC000467728323 560916176 /nfs/dbraw/zinc/91/61/76/560916176.db2.gz POTVIQAYOOPGKE-UHFFFAOYSA-N 1 0 358.398 2.122 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468686657 560936128 /nfs/dbraw/zinc/93/61/28/560936128.db2.gz WIJSSZKXJUNTJU-UHFFFAOYSA-N 1 0 350.419 2.099 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000469949092 560969558 /nfs/dbraw/zinc/96/95/58/560969558.db2.gz AKQXLCMWNDBRME-SFHVURJKSA-N 1 0 361.442 2.241 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000470173731 560976070 /nfs/dbraw/zinc/97/60/70/560976070.db2.gz NFEFGKZBVVJADP-NRMGUKERSA-N 1 0 372.469 2.237 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000471159326 560999410 /nfs/dbraw/zinc/99/94/10/560999410.db2.gz FHKFQXMNGZPYBK-INIZCTEOSA-N 1 0 373.409 2.273 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000472428208 561026255 /nfs/dbraw/zinc/02/62/55/561026255.db2.gz FWIZASNCZZXYNE-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000473937975 561061324 /nfs/dbraw/zinc/06/13/24/561061324.db2.gz NXFUYJPOIHZMQB-UHFFFAOYSA-N 1 0 357.476 2.478 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000473945614 561061441 /nfs/dbraw/zinc/06/14/41/561061441.db2.gz AARQXYPJEQQSIA-CYBMUJFWSA-N 1 0 355.460 2.310 20 5 FEBDRO COC(=O)COc1ccc(CNCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000474344591 561071768 /nfs/dbraw/zinc/07/17/68/561071768.db2.gz KLFBLCRZSXSEAZ-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000474583922 561077499 /nfs/dbraw/zinc/07/74/99/561077499.db2.gz RRUBNUZSQDTRJT-CQSZACIVSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813539 562424717 /nfs/dbraw/zinc/42/47/17/562424717.db2.gz ZKGDHDXPFWUCOK-MGPUTAFESA-N 1 0 369.421 2.409 20 5 FEBDRO C[C@@H]1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000533038975 562496485 /nfs/dbraw/zinc/49/64/85/562496485.db2.gz ZJJZNDOPAFXZPQ-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO Cc1cc(N2CCN(Cc3ncc[nH]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541189355 562605423 /nfs/dbraw/zinc/60/54/23/562605423.db2.gz KZCYBBZCSYLWQC-UHFFFAOYSA-N 1 0 352.398 2.497 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000569336123 568395152 /nfs/dbraw/zinc/39/51/52/568395152.db2.gz RSFQBDMDEKQTGX-UKRRQHHQSA-N 1 0 367.471 2.405 20 5 FEBDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000569439681 568402327 /nfs/dbraw/zinc/40/23/27/568402327.db2.gz TWZPENHUGNKGEJ-UHFFFAOYSA-N 1 0 372.429 2.348 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807394195 674414422 /nfs/dbraw/zinc/41/44/22/674414422.db2.gz CPUOOEZZQOUGGO-LBPRGKRZSA-N 1 0 368.821 2.177 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000808193202 674446320 /nfs/dbraw/zinc/44/63/20/674446320.db2.gz SRNBMTRIALQDII-ZYHUDNBSSA-N 1 0 358.240 2.070 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000808193201 674446356 /nfs/dbraw/zinc/44/63/56/674446356.db2.gz SRNBMTRIALQDII-PWSUYJOCSA-N 1 0 358.240 2.070 20 5 FEBDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000558227340 674488712 /nfs/dbraw/zinc/48/87/12/674488712.db2.gz KIGLQNZJCZIPTQ-GJZGRUSLSA-N 1 0 355.460 2.287 20 5 FEBDRO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000821581633 606699152 /nfs/dbraw/zinc/69/91/52/606699152.db2.gz QVWJSVCCXAQPQC-CYBMUJFWSA-N 1 0 372.364 2.024 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568810 608470036 /nfs/dbraw/zinc/47/00/36/608470036.db2.gz DCPNWJULRTZVKI-MEDUHNTESA-N 1 0 354.370 2.159 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000811599537 674615951 /nfs/dbraw/zinc/61/59/51/674615951.db2.gz SHMQNMADQODXGB-SNVBAGLBSA-N 1 0 351.432 2.450 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2C1 ZINC001048814709 675015543 /nfs/dbraw/zinc/01/55/43/675015543.db2.gz YYJOOKCMVALZTP-OQMKEHIESA-N 1 0 367.808 2.035 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000564953713 675081219 /nfs/dbraw/zinc/08/12/19/675081219.db2.gz GNMROLTUZKYVGN-JTQLQIEISA-N 1 0 364.146 2.084 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816945546 675089468 /nfs/dbraw/zinc/08/94/68/675089468.db2.gz JHEHUVOZTJFKOT-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000816950190 675089801 /nfs/dbraw/zinc/08/98/01/675089801.db2.gz MZKFCBOCARPTIF-QPUJVOFHSA-N 1 0 372.194 2.273 20 5 FEBDRO Cc1c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000057703518 670370815 /nfs/dbraw/zinc/37/08/15/670370815.db2.gz ZUQFGCFQEXXMQZ-VIFPVBQESA-N 1 0 350.375 2.332 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000060962145 670391228 /nfs/dbraw/zinc/39/12/28/670391228.db2.gz PFALHSVSIUEMRD-LBPRGKRZSA-N 1 0 350.375 2.497 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000817150141 675105728 /nfs/dbraw/zinc/10/57/28/675105728.db2.gz IVMKIDHOBVLJNS-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000565598354 675135691 /nfs/dbraw/zinc/13/56/91/675135691.db2.gz WOFVPZXFVIGGHZ-DOMZBBRYSA-N 1 0 362.407 2.480 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104927910 670797508 /nfs/dbraw/zinc/79/75/08/670797508.db2.gz UEUJQDHXWFOYIB-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113198183 670881016 /nfs/dbraw/zinc/88/10/16/670881016.db2.gz FBBAXGBJRAKIEC-CYBMUJFWSA-N 1 0 353.394 2.493 20 5 FEBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401825 670997806 /nfs/dbraw/zinc/99/78/06/670997806.db2.gz JQZUQZCVDGNREO-UONOGXRCSA-N 1 0 367.471 2.450 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccc(Cl)cn1 ZINC000566004795 675167512 /nfs/dbraw/zinc/16/75/12/675167512.db2.gz DMQZDOGTOFFXMG-ZDUSSCGKSA-N 1 0 367.789 2.052 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000573323029 671108746 /nfs/dbraw/zinc/10/87/46/671108746.db2.gz SAILFSSHPYJRNH-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO CCN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000574219026 671215699 /nfs/dbraw/zinc/21/56/99/671215699.db2.gz HMBSWVSBIDPOOL-ZDUSSCGKSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000574323224 671226780 /nfs/dbraw/zinc/22/67/80/671226780.db2.gz ZJQLWKKQLDNEIU-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO CO[C@@H]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000574444385 671241076 /nfs/dbraw/zinc/24/10/76/671241076.db2.gz SYXFEDCCEIXWTJ-VXGBXAGGSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H](C)C[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000608812537 675904657 /nfs/dbraw/zinc/90/46/57/675904657.db2.gz SPMOMTFJNGXYOR-ZDUSSCGKSA-N 1 0 351.451 2.036 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000608780869 675903180 /nfs/dbraw/zinc/90/31/80/675903180.db2.gz GKDLCEOMCNUEKT-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c1C ZINC000609199136 675913856 /nfs/dbraw/zinc/91/38/56/675913856.db2.gz FHADVUKYMRUVNB-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000578084226 671639350 /nfs/dbraw/zinc/63/93/50/671639350.db2.gz STFZXOVLUQHTCN-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578906218 671697865 /nfs/dbraw/zinc/69/78/65/671697865.db2.gz LGEDPRCSJQWJHD-DAXOMENPSA-N 1 0 367.471 2.280 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609631624 675930017 /nfs/dbraw/zinc/93/00/17/675930017.db2.gz HGCIAKZGIRBXGK-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CC(C)[C@@H]1C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000579583451 671746563 /nfs/dbraw/zinc/74/65/63/671746563.db2.gz ULMQXZMFDOGNNW-RKVPGOIHSA-N 1 0 352.431 2.375 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580043163 671778592 /nfs/dbraw/zinc/77/85/92/671778592.db2.gz XBXIFRTWJDIXDX-CQSZACIVSA-N 1 0 350.419 2.099 20 5 FEBDRO CSC1(CNS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000580367204 671800599 /nfs/dbraw/zinc/80/05/99/671800599.db2.gz PRWIIUGJQNEITD-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO COC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000610090268 675953104 /nfs/dbraw/zinc/95/31/04/675953104.db2.gz ZUBGFRCNWIVTHB-LBPRGKRZSA-N 1 0 350.371 2.350 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610135188 675956224 /nfs/dbraw/zinc/95/62/24/675956224.db2.gz MEDREMDZTAJSRN-NEPJUHHUSA-N 1 0 359.423 2.227 20 5 FEBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)s1 ZINC000582306428 671988346 /nfs/dbraw/zinc/98/83/46/671988346.db2.gz ORDCLHQQJNVRES-GFCCVEGCSA-N 1 0 363.443 2.282 20 5 FEBDRO CN(C)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000582323810 671989822 /nfs/dbraw/zinc/98/98/22/671989822.db2.gz RAIBCRWSCWWELH-UHFFFAOYSA-N 1 0 369.487 2.223 20 5 FEBDRO C[C@@]1(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000582357425 671993585 /nfs/dbraw/zinc/99/35/85/671993585.db2.gz VQJFFIUKQQFLTD-CQSZACIVSA-N 1 0 360.336 2.141 20 5 FEBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000582670096 672024015 /nfs/dbraw/zinc/02/40/15/672024015.db2.gz MUDAZXKUBSWIHE-OCCSQVGLSA-N 1 0 351.403 2.280 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000133493830 672111701 /nfs/dbraw/zinc/11/17/01/672111701.db2.gz GGSJYJKNSJZAPM-LBPRGKRZSA-N 1 0 359.423 2.053 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000610576979 675982578 /nfs/dbraw/zinc/98/25/78/675982578.db2.gz OTPOHBWMFKQMSF-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO COCC[N@H+](CC(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154679983 672220608 /nfs/dbraw/zinc/22/06/08/672220608.db2.gz WUFCQEIUTKKZLM-UHFFFAOYSA-N 1 0 350.419 2.399 20 5 FEBDRO C[N@@H+]1CCCN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000610769814 675995517 /nfs/dbraw/zinc/99/55/17/675995517.db2.gz BOLSDQMSYOGJST-UHFFFAOYSA-N 1 0 372.267 2.192 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000610800472 675997733 /nfs/dbraw/zinc/99/77/33/675997733.db2.gz WSVPZMKMALSFEI-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C2CCN(CCS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000159944768 672286814 /nfs/dbraw/zinc/28/68/14/672286814.db2.gz SCSFXTOYJXHZPV-AWEZNQCLSA-N 1 0 369.487 2.063 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863076 672486820 /nfs/dbraw/zinc/48/68/20/672486820.db2.gz OWAJLWLANPWZAZ-KBPBESRZSA-N 1 0 361.423 2.091 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590442732 672582882 /nfs/dbraw/zinc/58/28/82/672582882.db2.gz GUXMFSXNBNVGEV-WDMOLILDSA-N 1 0 353.806 2.178 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000591667251 672699128 /nfs/dbraw/zinc/69/91/28/672699128.db2.gz HPESIOZBPHBKFU-CQSZACIVSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000194346697 672757169 /nfs/dbraw/zinc/75/71/69/672757169.db2.gz ZCBGECBOMSRHHF-BETUJISGSA-N 1 0 373.450 2.380 20 5 FEBDRO CC(C)C[C@H]([NH3+])c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000592353451 672790783 /nfs/dbraw/zinc/79/07/83/672790783.db2.gz WEFKGEDVXSTJCJ-JTQLQIEISA-N 1 0 365.415 2.415 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000592374506 672793932 /nfs/dbraw/zinc/79/39/32/672793932.db2.gz JWECRJVIXNOJAD-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000592543908 672813028 /nfs/dbraw/zinc/81/30/28/672813028.db2.gz XMOJRUPQZNCBLS-DGCLKSJQSA-N 1 0 355.822 2.472 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000261745206 672902752 /nfs/dbraw/zinc/90/27/52/672902752.db2.gz POJLCGMBGSJJPE-CYBMUJFWSA-N 1 0 361.851 2.223 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594524394 673095060 /nfs/dbraw/zinc/09/50/60/673095060.db2.gz JHAYTPLZIQWGAB-DGCLKSJQSA-N 1 0 360.336 2.373 20 5 FEBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594778214 673138963 /nfs/dbraw/zinc/13/89/63/673138963.db2.gz FADLHSVMKNWOCR-LBPRGKRZSA-N 1 0 366.443 2.150 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594787687 673142049 /nfs/dbraw/zinc/14/20/49/673142049.db2.gz CBAMGONBTHFZLN-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793082 673145045 /nfs/dbraw/zinc/14/50/45/673145045.db2.gz UOGGYYSFXOXNKQ-NSHDSACASA-N 1 0 361.489 2.363 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595119035 673196990 /nfs/dbraw/zinc/19/69/90/673196990.db2.gz YWRDTEZUTKPMAB-TZMCWYRMSA-N 1 0 371.459 2.132 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000595346775 673228899 /nfs/dbraw/zinc/22/88/99/673228899.db2.gz WHTXSQHBIWYMLX-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595465723 673254521 /nfs/dbraw/zinc/25/45/21/673254521.db2.gz HAKKJVJRVPWICO-ZDUSSCGKSA-N 1 0 350.419 2.275 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595513236 673259644 /nfs/dbraw/zinc/25/96/44/673259644.db2.gz SVDCOQHSPFMYGM-UHFFFAOYSA-N 1 0 351.447 2.176 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596075252 673356359 /nfs/dbraw/zinc/35/63/59/673356359.db2.gz GCOYRZNPOXWEJV-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596103735 673358924 /nfs/dbraw/zinc/35/89/24/673358924.db2.gz FTCYGXXWFPRSIP-LLVKDONJSA-N 1 0 370.837 2.083 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596122868 673361119 /nfs/dbraw/zinc/36/11/19/673361119.db2.gz PYKUPVQXDZQONO-CYBMUJFWSA-N 1 0 353.854 2.250 20 5 FEBDRO Cn1c(Sc2c(Cl)cncc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000596130750 673361774 /nfs/dbraw/zinc/36/17/74/673361774.db2.gz FQWWLZHDFCRYFJ-MRVPVSSYSA-N 1 0 354.823 2.390 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000596251114 673371740 /nfs/dbraw/zinc/37/17/40/673371740.db2.gz NUMLLZAQTYOSCO-UHFFFAOYSA-N 1 0 362.352 2.338 20 5 FEBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)[NH+](C)C ZINC000596425637 673384308 /nfs/dbraw/zinc/38/43/08/673384308.db2.gz SWQSMJUSFZCVOR-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000539480944 673492378 /nfs/dbraw/zinc/49/23/78/673492378.db2.gz CNEKCZTYTCQUBT-ZIAGYGMSSA-N 1 0 372.878 2.164 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000735983639 673510318 /nfs/dbraw/zinc/51/03/18/673510318.db2.gz VGVZDSIIOSLLSE-ZDUSSCGKSA-N 1 0 364.471 2.382 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598601994 673588226 /nfs/dbraw/zinc/58/82/26/673588226.db2.gz YOEQFXCMCAMHTC-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000542651879 673595274 /nfs/dbraw/zinc/59/52/74/673595274.db2.gz MYUYJJBBSUXSFL-ZDUSSCGKSA-N 1 0 367.471 2.141 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3nccc(Br)c3C2)c1 ZINC000598947137 673624422 /nfs/dbraw/zinc/62/44/22/673624422.db2.gz YXQPVVHNSSHBBV-UHFFFAOYSA-N 1 0 352.192 2.007 20 5 FEBDRO CC[C@H](C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000741032424 673667106 /nfs/dbraw/zinc/66/71/06/673667106.db2.gz JTVIGUQZYIRNCG-OAHLLOKOSA-N 1 0 351.403 2.221 20 5 FEBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000544122003 673691954 /nfs/dbraw/zinc/69/19/54/673691954.db2.gz PQSMFWKPZJGPCT-INIZCTEOSA-N 1 0 356.444 2.163 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691546 673706990 /nfs/dbraw/zinc/70/69/90/673706990.db2.gz PDXAROCXVJIZEB-KGLIPLIRSA-N 1 0 355.460 2.225 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000544660599 673724122 /nfs/dbraw/zinc/72/41/22/673724122.db2.gz JWFGYLOWDBYRLB-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO COCCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601110921 673826851 /nfs/dbraw/zinc/82/68/51/673826851.db2.gz LJHYAJAJOSPJIJ-UHFFFAOYSA-N 1 0 365.356 2.260 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601357004 673847605 /nfs/dbraw/zinc/84/76/05/673847605.db2.gz YDGBTXWOPKGLJI-OCCSQVGLSA-N 1 0 373.450 2.393 20 5 FEBDRO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746461658 673879337 /nfs/dbraw/zinc/87/93/37/673879337.db2.gz BZLGUJFUYUNGTC-HNNXBMFYSA-N 1 0 354.838 2.459 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602423458 673905829 /nfs/dbraw/zinc/90/58/29/673905829.db2.gz ZBVYTQGBWSYJQX-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CC(C)(C)OC(=O)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602558346 673907958 /nfs/dbraw/zinc/90/79/58/673907958.db2.gz LOCIXPGNOGZAEX-UHFFFAOYSA-N 1 0 350.419 2.280 20 5 FEBDRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602674360 673909583 /nfs/dbraw/zinc/90/95/83/673909583.db2.gz OWJQLWLYJKXGAH-NSHDSACASA-N 1 0 353.238 2.296 20 5 FEBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769052 673910531 /nfs/dbraw/zinc/91/05/31/673910531.db2.gz LYBNVVQYBVDOHQ-UKRRQHHQSA-N 1 0 351.451 2.117 20 5 FEBDRO C[NH2+]C(C)(C)c1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603239356 673919479 /nfs/dbraw/zinc/91/94/79/673919479.db2.gz GMBFWLJZLZKPOY-UHFFFAOYSA-N 1 0 354.208 2.452 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000603386775 673928485 /nfs/dbraw/zinc/92/84/85/673928485.db2.gz ZKGICGWOBNVOCE-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000603386707 673928571 /nfs/dbraw/zinc/92/85/71/673928571.db2.gz XTCYIILEGYGNDQ-UHFFFAOYSA-N 1 0 353.444 2.010 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819719488 675311055 /nfs/dbraw/zinc/31/10/55/675311055.db2.gz VXURQPIGCGKCGB-ZUZCIYMTSA-N 1 0 355.797 2.482 20 5 FEBDRO CSC[C@H](O)C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000567679927 675312079 /nfs/dbraw/zinc/31/20/79/675312079.db2.gz JKGAREICOMGXQQ-SNVBAGLBSA-N 1 0 353.366 2.339 20 5 FEBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567690387 675313071 /nfs/dbraw/zinc/31/30/71/675313071.db2.gz AFGQWKOCGAXSBS-LLVKDONJSA-N 1 0 367.427 2.194 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000820556623 675369830 /nfs/dbraw/zinc/36/98/30/675369830.db2.gz CBYDKUMXDYBMBH-GZMMTYOYSA-N 1 0 371.235 2.104 20 5 FEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1(C)C ZINC000824087426 675583329 /nfs/dbraw/zinc/58/33/29/675583329.db2.gz RZWMWAZUERFADX-GHMZBOCLSA-N 1 0 371.235 2.211 20 5 FEBDRO O=C(N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1)C(F)(F)F ZINC000824829784 675624221 /nfs/dbraw/zinc/62/42/21/675624221.db2.gz RBCJUBBYELKWOU-OLZOCXBDSA-N 1 0 357.332 2.437 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827266959 675743978 /nfs/dbraw/zinc/74/39/78/675743978.db2.gz MBHOHCNJMGBWOM-QMTHXVAHSA-N 1 0 355.797 2.482 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000827291839 675745848 /nfs/dbraw/zinc/74/58/48/675745848.db2.gz XHEDFCDQPIWSDH-MFKMUULPSA-N 1 0 355.341 2.362 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000829010401 675858962 /nfs/dbraw/zinc/85/89/62/675858962.db2.gz ZMPKYOYMTUKHAC-PHIMTYICSA-N 1 0 369.805 2.310 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000829298489 675874870 /nfs/dbraw/zinc/87/48/70/675874870.db2.gz HZPLZVQMGWSJLE-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000619476569 676379296 /nfs/dbraw/zinc/37/92/96/676379296.db2.gz MSRFFEFBKFLRLL-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000619482526 676380021 /nfs/dbraw/zinc/38/00/21/676380021.db2.gz NBBIPZYNKHFEIS-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO C[C@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000829799945 677013489 /nfs/dbraw/zinc/01/34/89/677013489.db2.gz BUKBCVJDXXZSFE-STQMWFEESA-N 1 0 353.394 2.353 20 5 FEBDRO COc1cc(OCC[NH+](C)C)ccc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000839827028 680781921 /nfs/dbraw/zinc/78/19/21/680781921.db2.gz YUTJIBXJXPPDKT-UHFFFAOYSA-N 1 0 353.419 2.410 20 5 FEBDRO CS(=O)(=O)c1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000840946206 680855643 /nfs/dbraw/zinc/85/56/43/680855643.db2.gz JMPZJQQAHXAZRF-UHFFFAOYSA-N 1 0 355.441 2.025 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000748083820 679928331 /nfs/dbraw/zinc/92/83/31/679928331.db2.gz WECGCSFGHOOLNG-UHFFFAOYSA-N 1 0 360.256 2.318 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H]1[NH+]1CCCC1 ZINC000832132259 680099586 /nfs/dbraw/zinc/09/95/86/680099586.db2.gz TXWXFWVEKFQUMX-LSDHHAIUSA-N 1 0 353.419 2.386 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000832742496 680171458 /nfs/dbraw/zinc/17/14/58/680171458.db2.gz ITWSXECZJWKGBJ-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000832756246 680173112 /nfs/dbraw/zinc/17/31/12/680173112.db2.gz LHURUMACIMDDNE-UHFFFAOYSA-N 1 0 359.423 2.195 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752252802 680232424 /nfs/dbraw/zinc/23/24/24/680232424.db2.gz HMDDUNUFDPNYPO-JTQLQIEISA-N 1 0 361.851 2.177 20 5 FEBDRO CC(C)(C)c1csc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996442552 680332591 /nfs/dbraw/zinc/33/25/91/680332591.db2.gz XRDXWMLULIDIKC-CHWSQXEVSA-N 1 0 366.487 2.186 20 5 FEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc4ccccc4s3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775926 680337249 /nfs/dbraw/zinc/33/72/49/680337249.db2.gz QXWQUYKPJKGSEF-GAGVYUBLSA-N 1 0 357.435 2.113 20 5 FEBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000754125708 680338657 /nfs/dbraw/zinc/33/86/57/680338657.db2.gz YCLVDNRJZRZJSN-DRPJVOAASA-N 1 0 354.472 2.499 20 5 FEBDRO COC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000754539053 680362000 /nfs/dbraw/zinc/36/20/00/680362000.db2.gz LVRJYQNOSGFXSR-GFCCVEGCSA-N 1 0 355.778 2.118 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400550 680460506 /nfs/dbraw/zinc/46/05/06/680460506.db2.gz URCHSCUUWLBPAO-HZPDHXFCSA-N 1 0 351.834 2.333 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836638808 680493521 /nfs/dbraw/zinc/49/35/21/680493521.db2.gz JPVNYAOMWLKGQW-GFCCVEGCSA-N 1 0 355.822 2.397 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000836939235 680531915 /nfs/dbraw/zinc/53/19/15/680531915.db2.gz PZWBSUHDONZNEX-YOGCLGLASA-N 1 0 350.394 2.155 20 5 FEBDRO Cc1c(C(=O)NCCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837225133 680570837 /nfs/dbraw/zinc/57/08/37/680570837.db2.gz NIMSIGXYVYHXSD-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO O=C(NCC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000837303827 680584928 /nfs/dbraw/zinc/58/49/28/680584928.db2.gz WGFSSDIFAQJBHP-UHFFFAOYSA-N 1 0 360.183 2.226 20 5 FEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841192330 680868419 /nfs/dbraw/zinc/86/84/19/680868419.db2.gz DNJBWGSPBYESSH-LBPRGKRZSA-N 1 0 356.810 2.019 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841854789 680914890 /nfs/dbraw/zinc/91/48/90/680914890.db2.gz DWHKTYXADUVZHI-UHFFFAOYSA-N 1 0 370.837 2.288 20 5 FEBDRO CC(C)([NH3+])CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000841951139 680918558 /nfs/dbraw/zinc/91/85/58/680918558.db2.gz RPBJITTWCMLWIO-UHFFFAOYSA-N 1 0 371.235 2.162 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000842700431 680960378 /nfs/dbraw/zinc/96/03/78/680960378.db2.gz YZKTWBHCCJZCEJ-WDEREUQCSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000842699411 680960383 /nfs/dbraw/zinc/96/03/83/680960383.db2.gz NWEUBJARJMLHJK-QWRGUYRKSA-N 1 0 361.851 2.223 20 5 FEBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000843104326 680987963 /nfs/dbraw/zinc/98/79/63/680987963.db2.gz FXTMHIZSOVEPRV-XNRPHZJLSA-N 1 0 366.439 2.498 20 5 FEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1(C[NH3+])CCC1 ZINC000843486198 681006441 /nfs/dbraw/zinc/00/64/41/681006441.db2.gz ZDCLSRGCAVUDBL-UHFFFAOYSA-N 1 0 360.183 2.450 20 5 FEBDRO COC(=O)C[C@@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC000770707817 681024858 /nfs/dbraw/zinc/02/48/58/681024858.db2.gz NQQIDIOPGJXKHC-KRWDZBQOSA-N 1 0 352.387 2.066 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)cc1[N+](=O)[O-] ZINC000773064302 681123702 /nfs/dbraw/zinc/12/37/02/681123702.db2.gz FTBQGDGBKOOVFD-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000845663407 681143504 /nfs/dbraw/zinc/14/35/04/681143504.db2.gz NTEPLNNBXBWJHL-LBPRGKRZSA-N 1 0 351.359 2.463 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])c1F ZINC000846230982 681205648 /nfs/dbraw/zinc/20/56/48/681205648.db2.gz JFFDWWNPAIUWMX-GWCFXTLKSA-N 1 0 359.423 2.180 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846232849 681206677 /nfs/dbraw/zinc/20/66/77/681206677.db2.gz ZMVKDDXFSOWXDN-NHYWBVRUSA-N 1 0 373.862 2.306 20 5 FEBDRO Cc1c(Br)cc(C(=O)NOC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000846648340 681271898 /nfs/dbraw/zinc/27/18/98/681271898.db2.gz WKKNJYRUHKMPCN-UHFFFAOYSA-N 1 0 372.219 2.421 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846747081 681285283 /nfs/dbraw/zinc/28/52/83/681285283.db2.gz KTWAIYVXPXJRIQ-YGRLFVJLSA-N 1 0 350.375 2.401 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000775561798 681314740 /nfs/dbraw/zinc/31/47/40/681314740.db2.gz WEUQRSJLWBZMAQ-GFCCVEGCSA-N 1 0 355.822 2.317 20 5 FEBDRO C[NH+](C)C1(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000932823779 681317349 /nfs/dbraw/zinc/31/73/49/681317349.db2.gz CYXOWILHSRIJLL-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000847181635 681341286 /nfs/dbraw/zinc/34/12/86/681341286.db2.gz PYSUGVADMPNLPI-AOOOYVTPSA-N 1 0 356.220 2.427 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000933875795 681477922 /nfs/dbraw/zinc/47/79/22/681477922.db2.gz DURCDESGYLIRTF-DOTOQJQBSA-N 1 0 350.415 2.416 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581888 681582998 /nfs/dbraw/zinc/58/29/98/681582998.db2.gz ZHPVXCZVXLANLJ-NEPJUHHUSA-N 1 0 355.341 2.309 20 5 FEBDRO CS[C@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000778402992 681608520 /nfs/dbraw/zinc/60/85/20/681608520.db2.gz MCLJCINCSQIGTF-STQMWFEESA-N 1 0 359.398 2.191 20 5 FEBDRO C[NH+]1CCC(OCC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000935277499 681721494 /nfs/dbraw/zinc/72/14/94/681721494.db2.gz UFQGXJPYSLNCAW-UHFFFAOYSA-N 1 0 355.822 2.018 20 5 FEBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000780206706 681804500 /nfs/dbraw/zinc/80/45/00/681804500.db2.gz AQFOKGALLJKKQB-GFCCVEGCSA-N 1 0 352.460 2.069 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000935867537 681840620 /nfs/dbraw/zinc/84/06/20/681840620.db2.gz CEJPCTOHXIXIND-AWEZNQCLSA-N 1 0 365.821 2.172 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[S@@](=O)CC(F)(F)F)n1 ZINC000850496668 681908425 /nfs/dbraw/zinc/90/84/25/681908425.db2.gz PYASJDPJWMETPG-AWPAMXJSSA-N 1 0 368.381 2.176 20 5 FEBDRO CC[N@@H+](Cc1scnc1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712968 681918929 /nfs/dbraw/zinc/91/89/29/681918929.db2.gz CXXIUFIQIGBWMZ-HUUCEWRRSA-N 1 0 366.487 2.177 20 5 FEBDRO CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000850607793 681925402 /nfs/dbraw/zinc/92/54/02/681925402.db2.gz RLKFIGFCAJVBPB-GFCCVEGCSA-N 1 0 368.821 2.129 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H]1[NH3+] ZINC000850722096 681947484 /nfs/dbraw/zinc/94/74/84/681947484.db2.gz LPJYAIMEYHFNHH-XCBNKYQSSA-N 1 0 360.183 2.306 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000782403809 682038939 /nfs/dbraw/zinc/03/89/39/682038939.db2.gz AHOVXIHAUXSIHA-CYBMUJFWSA-N 1 0 364.471 2.477 20 5 FEBDRO O=C(CC[NH+]1CCC(O)(C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782552590 682057132 /nfs/dbraw/zinc/05/71/32/682057132.db2.gz WXEXXBVXBXRAHY-UHFFFAOYSA-N 1 0 361.320 2.155 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2cccc(Cl)c2)c1 ZINC000915227337 685513388 /nfs/dbraw/zinc/51/33/88/685513388.db2.gz SFCYKFMYODJPRM-WBVHZDCISA-N 1 0 366.801 2.311 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cs1 ZINC000851878769 682175572 /nfs/dbraw/zinc/17/55/72/682175572.db2.gz CPHOELBIJSDYGO-UHFFFAOYSA-N 1 0 359.473 2.057 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000853966203 682495555 /nfs/dbraw/zinc/49/55/55/682495555.db2.gz PRWDVWOSDZJAFP-ZDUSSCGKSA-N 1 0 370.247 2.393 20 5 FEBDRO C[NH+]1CCC(ONC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000854357027 682542139 /nfs/dbraw/zinc/54/21/39/682542139.db2.gz NRFGTJKUHMWHFX-UHFFFAOYSA-N 1 0 357.794 2.159 20 5 FEBDRO CC(C)[C@@H](C(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000789801109 682632138 /nfs/dbraw/zinc/63/21/38/682632138.db2.gz CKPHUAFGMCBPQS-AWEZNQCLSA-N 1 0 371.821 2.107 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000858636024 682988507 /nfs/dbraw/zinc/98/85/07/682988507.db2.gz GXCVBJIKPZWUCP-GASCZTMLSA-N 1 0 373.862 2.177 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859356407 683092356 /nfs/dbraw/zinc/09/23/56/683092356.db2.gz XXRRSLAQOWOJCD-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795876937 683102456 /nfs/dbraw/zinc/10/24/56/683102456.db2.gz LRQLXZNMOASQGR-UHFFFAOYSA-N 1 0 367.830 2.350 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000798470321 683354582 /nfs/dbraw/zinc/35/45/82/683354582.db2.gz BCEUZHUGOHNDRD-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075500 683369431 /nfs/dbraw/zinc/36/94/31/683369431.db2.gz DFHYSMVIJBISSX-HZMVEIRTSA-N 1 0 361.467 2.394 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928093757 683382898 /nfs/dbraw/zinc/38/28/98/683382898.db2.gz NNHJSTCXBSVQOR-UKRRQHHQSA-N 1 0 365.455 2.060 20 5 FEBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347728 683394541 /nfs/dbraw/zinc/39/45/41/683394541.db2.gz LLBCLLOYGWXQHN-ZUCKAHLUSA-N 1 0 354.378 2.490 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862033088 683519579 /nfs/dbraw/zinc/51/95/79/683519579.db2.gz ZKWNUUNJGZUXNW-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO Cn1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000862366535 683578161 /nfs/dbraw/zinc/57/81/61/683578161.db2.gz KIMAYEXRYKVPEL-UHFFFAOYSA-N 1 0 354.208 2.056 20 5 FEBDRO CCC[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@@H+]1CCOC ZINC000865650233 684010475 /nfs/dbraw/zinc/01/04/75/684010475.db2.gz AEPZXNGPIOXWNY-CQSZACIVSA-N 1 0 355.410 2.163 20 5 FEBDRO O=C(CCN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000866717811 684139083 /nfs/dbraw/zinc/13/90/83/684139083.db2.gz PTVQRINVRSSAMR-BLLLJJGKSA-N 1 0 350.394 2.136 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000866863719 684170310 /nfs/dbraw/zinc/17/03/10/684170310.db2.gz SIMXRRRMPOHUHI-RYUDHWBXSA-N 1 0 359.423 2.146 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H](OCC2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000931336744 684264197 /nfs/dbraw/zinc/26/41/97/684264197.db2.gz WCAJJXVPCOOQLM-HNNXBMFYSA-N 1 0 357.451 2.001 20 5 FEBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000931607891 684312111 /nfs/dbraw/zinc/31/21/11/684312111.db2.gz OPLGLZSNQRJBFX-JSGCOSHPSA-N 1 0 354.407 2.435 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000867621525 684334546 /nfs/dbraw/zinc/33/45/46/684334546.db2.gz VAAGNDBFDZADKU-UHFFFAOYSA-N 1 0 353.444 2.091 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000931724915 684336914 /nfs/dbraw/zinc/33/69/14/684336914.db2.gz LKFHUMYLJCMVJL-QWHCGFSZSA-N 1 0 352.822 2.355 20 5 FEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868138028 684456218 /nfs/dbraw/zinc/45/62/18/684456218.db2.gz BGXMTIQOFYYFDW-AOOOYVTPSA-N 1 0 355.192 2.325 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925763246 684583725 /nfs/dbraw/zinc/58/37/25/684583725.db2.gz RDNDAVUQAMZWTF-LSDHHAIUSA-N 1 0 370.247 2.214 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000872052531 684917260 /nfs/dbraw/zinc/91/72/60/684917260.db2.gz OJDJJTRWWMDWBL-RYUDHWBXSA-N 1 0 373.500 2.249 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665109 685001273 /nfs/dbraw/zinc/00/12/73/685001273.db2.gz OVZHHLKBYKZEDN-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910928811 685140358 /nfs/dbraw/zinc/14/03/58/685140358.db2.gz RVNMSEMPSVIZMR-STQMWFEESA-N 1 0 369.849 2.094 20 5 FEBDRO CN(C[C@@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000876794057 686269858 /nfs/dbraw/zinc/26/98/58/686269858.db2.gz LGEPBKMSLYAETG-ZDUSSCGKSA-N 1 0 353.423 2.160 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877395343 686371688 /nfs/dbraw/zinc/37/16/88/686371688.db2.gz XRHGQEJLVRAUTC-UKRRQHHQSA-N 1 0 368.231 2.301 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000877747725 686448606 /nfs/dbraw/zinc/44/86/06/686448606.db2.gz ZNQNYXUXPHYFRI-UHFFFAOYSA-N 1 0 352.866 2.460 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000877747384 686448954 /nfs/dbraw/zinc/44/89/54/686448954.db2.gz JIAQPXVRWLDOJT-UHFFFAOYSA-N 1 0 352.866 2.460 20 5 FEBDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136983 687004993 /nfs/dbraw/zinc/00/49/93/687004993.db2.gz VUAXSQODBMTBBT-JKSUJKDBSA-N 1 0 350.394 2.231 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000884954483 687974099 /nfs/dbraw/zinc/97/40/99/687974099.db2.gz FNOZMBXJRDXROK-ZIAGYGMSSA-N 1 0 353.444 2.117 20 5 FEBDRO CSc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859079 688170375 /nfs/dbraw/zinc/17/03/75/688170375.db2.gz SXHHITCDUBBFQV-CQSZACIVSA-N 1 0 365.455 2.300 20 5 FEBDRO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246115 689683532 /nfs/dbraw/zinc/68/35/32/689683532.db2.gz LMTYKZVICHFYTN-HZMBPMFUSA-N 1 0 357.252 2.404 20 5 FEBDRO Cc1c(Br)c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248259 689683920 /nfs/dbraw/zinc/68/39/20/689683920.db2.gz ZJGCVMMJMIWGSZ-ZYHUDNBSSA-N 1 0 372.267 2.107 20 5 FEBDRO O=[N+]([O-])c1ccc(Br)c(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000900595511 690536374 /nfs/dbraw/zinc/53/63/74/690536374.db2.gz HAEOMPLTCOXHCF-SNVBAGLBSA-N 1 0 366.219 2.464 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000900640936 690541853 /nfs/dbraw/zinc/54/18/53/690541853.db2.gz IKIWNNDRNCXYRN-JTQLQIEISA-N 1 0 366.219 2.464 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900719354 690552873 /nfs/dbraw/zinc/55/28/73/690552873.db2.gz GTERYSAAPYVAJN-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCS(=O)(=O)C1 ZINC000903362799 690885769 /nfs/dbraw/zinc/88/57/69/690885769.db2.gz JOBIIFQXQSMTDZ-XHDPSFHLSA-N 1 0 374.484 2.171 20 5 FEBDRO CO[C@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364101 690886253 /nfs/dbraw/zinc/88/62/53/690886253.db2.gz UIUAFAXPHQJWIR-RDJZCZTQSA-N 1 0 368.455 2.111 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCC3(CCOCC3)CO2)c1 ZINC000905424337 691116885 /nfs/dbraw/zinc/11/68/85/691116885.db2.gz DEISBQMZJYRHIJ-SJORKVTESA-N 1 0 350.415 2.194 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907935551 691586379 /nfs/dbraw/zinc/58/63/79/691586379.db2.gz UBKZQCYNIRBUQZ-LLVKDONJSA-N 1 0 361.801 2.210 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000909030274 691769176 /nfs/dbraw/zinc/76/91/76/691769176.db2.gz FIYUDLMCDXWDKS-BETUJISGSA-N 1 0 369.849 2.094 20 5 FEBDRO COc1nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164621740 719051936 /nfs/dbraw/zinc/05/19/36/719051936.db2.gz JPMUQHSNXHCUCT-WBVHZDCISA-N 1 0 369.425 2.494 20 5 FEBDRO CCc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301623794 719458081 /nfs/dbraw/zinc/45/80/81/719458081.db2.gz ABBMJOZICIDHHA-IRXDYDNUSA-N 1 0 369.425 2.133 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724899 720357822 /nfs/dbraw/zinc/35/78/22/720357822.db2.gz LNVFPSOCAITKQN-GJZGRUSLSA-N 1 0 370.369 2.146 20 5 FEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001164730690 720511854 /nfs/dbraw/zinc/51/18/54/720511854.db2.gz SJYSPUGQUHOIRW-NSHDSACASA-N 1 0 350.810 2.038 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926052 721875749 /nfs/dbraw/zinc/87/57/49/721875749.db2.gz QOUADRJXVAWUQK-QZTJIDSGSA-N 1 0 355.442 2.358 20 5 FEBDRO CNc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1[N+](=O)[O-] ZINC000014520083 539603332 /nfs/dbraw/zinc/60/33/32/539603332.db2.gz KURGKRYYXRZJHE-UHFFFAOYSA-N 1 0 370.413 2.036 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014520924 539603395 /nfs/dbraw/zinc/60/33/95/539603395.db2.gz UNDHIEKCGSGKTB-UHFFFAOYSA-N 1 0 371.397 2.003 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Nc1ccccc1 ZINC000026594962 539790203 /nfs/dbraw/zinc/79/02/03/539790203.db2.gz MNIUHPPCZWCCEU-UHFFFAOYSA-N 1 0 355.398 2.141 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000028489094 539833227 /nfs/dbraw/zinc/83/32/27/539833227.db2.gz IBXDZKPQIDVXRF-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441075 539939119 /nfs/dbraw/zinc/93/91/19/539939119.db2.gz GIVICHSIPYKUAU-KBPBESRZSA-N 1 0 355.460 2.444 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000041644054 540028626 /nfs/dbraw/zinc/02/86/26/540028626.db2.gz GGZSIXXPZDXOGP-KBPBESRZSA-N 1 0 362.430 2.221 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047105313 540290477 /nfs/dbraw/zinc/29/04/77/540290477.db2.gz RQKFTEQGICJLGN-ZWKOTPCHSA-N 1 0 373.457 2.053 20 5 FEBDRO O=C(NCC[NH+]1CCCCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047139835 540291738 /nfs/dbraw/zinc/29/17/38/540291738.db2.gz NQOLNOBFEFCVSN-UHFFFAOYSA-N 1 0 360.458 2.413 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000050798879 540414427 /nfs/dbraw/zinc/41/44/27/540414427.db2.gz UODGXEGKACKDKI-UHFFFAOYSA-N 1 0 366.487 2.253 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000050802443 540415358 /nfs/dbraw/zinc/41/53/58/540415358.db2.gz NXOCNAXQIHOTLS-AATRIKPKSA-N 1 0 372.469 2.283 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160025 540456547 /nfs/dbraw/zinc/45/65/47/540456547.db2.gz PXFKIQSLKQFPFR-STQMWFEESA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052305709 540461766 /nfs/dbraw/zinc/46/17/66/540461766.db2.gz PDQWAVJEVMTGBW-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO O=C(NC1CC1)c1ccc(NCCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000052308859 540462676 /nfs/dbraw/zinc/46/26/76/540462676.db2.gz FQJARWHAABYMGW-UHFFFAOYSA-N 1 0 362.430 2.011 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000052931271 540500182 /nfs/dbraw/zinc/50/01/82/540500182.db2.gz IDQMOFHFADZRRC-HNNXBMFYSA-N 1 0 374.441 2.162 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887305 540558585 /nfs/dbraw/zinc/55/85/85/540558585.db2.gz ZIBNWEIZULBUTG-JTQLQIEISA-N 1 0 373.356 2.419 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053990327 540562944 /nfs/dbraw/zinc/56/29/44/540562944.db2.gz BOHZALYFQVCRGZ-UHFFFAOYSA-N 1 0 354.410 2.313 20 5 FEBDRO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056385239 540722627 /nfs/dbraw/zinc/72/26/27/540722627.db2.gz QATYTLNOOIDZPG-KFWWJZLASA-N 1 0 364.446 2.454 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057715311 540810681 /nfs/dbraw/zinc/81/06/81/540810681.db2.gz WKMBTMABUCULRH-NSHDSACASA-N 1 0 351.403 2.215 20 5 FEBDRO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@H+](C)C1CC1 ZINC000057720603 540811911 /nfs/dbraw/zinc/81/19/11/540811911.db2.gz XHNGHFVLVVKVKP-AWEZNQCLSA-N 1 0 360.458 2.410 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000062227891 541145553 /nfs/dbraw/zinc/14/55/53/541145553.db2.gz SBVLHAFKESTAPJ-KRWDZBQOSA-N 1 0 371.441 2.352 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000065978383 541276246 /nfs/dbraw/zinc/27/62/46/541276246.db2.gz RNVQOGUGTOUFMX-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000066014891 541277699 /nfs/dbraw/zinc/27/76/99/541277699.db2.gz UPKOLDJQYRYMJR-KRWDZBQOSA-N 1 0 373.409 2.401 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000065785053 541261544 /nfs/dbraw/zinc/26/15/44/541261544.db2.gz MOWOWRPYVRJFMD-UHFFFAOYSA-N 1 0 371.441 2.271 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000065791419 541262085 /nfs/dbraw/zinc/26/20/85/541262085.db2.gz TYDCEQGAZFSTLF-UHFFFAOYSA-N 1 0 355.460 2.312 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066196912 541290247 /nfs/dbraw/zinc/29/02/47/541290247.db2.gz SYZUPPBAJKHSKO-HNNXBMFYSA-N 1 0 363.462 2.157 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 ZINC000066633132 541350624 /nfs/dbraw/zinc/35/06/24/541350624.db2.gz LHFHCYRXLYYYDN-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000067045100 541409938 /nfs/dbraw/zinc/40/99/38/541409938.db2.gz UFIFPAWUILKMEK-CQSZACIVSA-N 1 0 367.471 2.389 20 5 FEBDRO C[N@H+](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000067137472 541422756 /nfs/dbraw/zinc/42/27/56/541422756.db2.gz OJPOJWCGETZBJA-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000067157612 541426989 /nfs/dbraw/zinc/42/69/89/541426989.db2.gz GJERTFLVOZRDNU-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067628395 541492676 /nfs/dbraw/zinc/49/26/76/541492676.db2.gz QVXHNOCNMVKCBI-RHSMWYFYSA-N 1 0 364.446 2.048 20 5 FEBDRO C[NH+]1CCN(C[C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000068024657 541540413 /nfs/dbraw/zinc/54/04/13/541540413.db2.gz KPMOOGNBORMBHA-SFHVURJKSA-N 1 0 368.437 2.313 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072833998 541876769 /nfs/dbraw/zinc/87/67/69/541876769.db2.gz RHAYYYNCQVYICP-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000545483877 541983203 /nfs/dbraw/zinc/98/32/03/541983203.db2.gz TXZRWCSCPWBUKD-UHFFFAOYSA-N 1 0 356.430 2.005 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074165509 542046560 /nfs/dbraw/zinc/04/65/60/542046560.db2.gz RDHRMKIBFMCTGW-UHFFFAOYSA-N 1 0 364.446 2.395 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000074326156 542070906 /nfs/dbraw/zinc/07/09/06/542070906.db2.gz VXZVQWCUMCXRLH-UHFFFAOYSA-N 1 0 369.421 2.351 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000075656589 542195755 /nfs/dbraw/zinc/19/57/55/542195755.db2.gz GEJJNWZPRPISEG-CYBMUJFWSA-N 1 0 355.460 2.446 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000075680218 542197943 /nfs/dbraw/zinc/19/79/43/542197943.db2.gz VDAMINKJQGEIGZ-GOSISDBHSA-N 1 0 362.405 2.246 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000076478320 542283630 /nfs/dbraw/zinc/28/36/30/542283630.db2.gz LYIQJZLGPAWCBA-UKRRQHHQSA-N 1 0 365.430 2.171 20 5 FEBDRO Cc1nn(C)c(N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078307423 542453709 /nfs/dbraw/zinc/45/37/09/542453709.db2.gz LQRGGZQOTVCHJF-CQSZACIVSA-N 1 0 358.446 2.259 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000080436763 542589447 /nfs/dbraw/zinc/58/94/47/542589447.db2.gz JZMHYVNTRXUSTB-AWEZNQCLSA-N 1 0 364.471 2.047 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000080436754 542589617 /nfs/dbraw/zinc/58/96/17/542589617.db2.gz JZMHYVNTRXUSTB-CQSZACIVSA-N 1 0 364.471 2.047 20 5 FEBDRO CCc1nn(C)c(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478772 542809780 /nfs/dbraw/zinc/80/97/80/542809780.db2.gz WAWMGYINBKYNKI-ZIAGYGMSSA-N 1 0 365.478 2.216 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](C)C1 ZINC000091482600 542810288 /nfs/dbraw/zinc/81/02/88/542810288.db2.gz CEQGXAGYHBJBMN-SNVBAGLBSA-N 1 0 352.347 2.043 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C ZINC000247427693 549332723 /nfs/dbraw/zinc/33/27/23/549332723.db2.gz KWLFVIICBURVSJ-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-])c1ccccn1 ZINC000097024514 543002685 /nfs/dbraw/zinc/00/26/85/543002685.db2.gz MEMYJZFJNYEURE-CYBMUJFWSA-N 1 0 357.414 2.454 20 5 FEBDRO COc1cc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000101645970 543039167 /nfs/dbraw/zinc/03/91/67/543039167.db2.gz IDZPCLJIROQJMJ-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CC(C)C ZINC000102487672 543071436 /nfs/dbraw/zinc/07/14/36/543071436.db2.gz ZOQSNJYZNDEQQI-AWEZNQCLSA-N 1 0 353.467 2.399 20 5 FEBDRO COCC[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106107060 543198809 /nfs/dbraw/zinc/19/88/09/543198809.db2.gz MCBCACJSWVUXGP-OAHLLOKOSA-N 1 0 374.441 2.445 20 5 FEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000108378200 543288118 /nfs/dbraw/zinc/28/81/18/543288118.db2.gz HDQDWJYXJOUNHL-GOSISDBHSA-N 1 0 372.469 2.434 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073066 543503453 /nfs/dbraw/zinc/50/34/53/543503453.db2.gz JYYGPIOYSZWQJD-GDBMZVCRSA-N 1 0 363.414 2.188 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000116922564 543619905 /nfs/dbraw/zinc/61/99/05/543619905.db2.gz TYRQFGJCOGCGMB-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1cccc(Br)c1 ZINC000125595524 543890393 /nfs/dbraw/zinc/89/03/93/543890393.db2.gz BYNYYJOZKATOCN-CYBMUJFWSA-N 1 0 369.219 2.219 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127838689 544017110 /nfs/dbraw/zinc/01/71/10/544017110.db2.gz HERLRHFTXDIVKN-CQSZACIVSA-N 1 0 350.419 2.444 20 5 FEBDRO O=C(NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000128960769 544083100 /nfs/dbraw/zinc/08/31/00/544083100.db2.gz FMPIHDANDLYETA-CHWSQXEVSA-N 1 0 353.806 2.231 20 5 FEBDRO C[NH+]1CCC(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000129922365 544131927 /nfs/dbraw/zinc/13/19/27/544131927.db2.gz ORZMYELKBSMKRU-UHFFFAOYSA-N 1 0 360.458 2.269 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000131642123 544199792 /nfs/dbraw/zinc/19/97/92/544199792.db2.gz GUNKADGPGUFHEE-UHFFFAOYSA-N 1 0 362.430 2.424 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000133378536 544267154 /nfs/dbraw/zinc/26/71/54/544267154.db2.gz YGZKYIYBYSEZSU-CABCVRRESA-N 1 0 374.441 2.235 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133662658 544279170 /nfs/dbraw/zinc/27/91/70/544279170.db2.gz AGTFBTFJZKKKOK-HOCLYGCPSA-N 1 0 358.442 2.408 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000134370309 544305010 /nfs/dbraw/zinc/30/50/10/544305010.db2.gz PMNWCXBORZUALQ-IRXDYDNUSA-N 1 0 362.430 2.484 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000134678498 544317842 /nfs/dbraw/zinc/31/78/42/544317842.db2.gz NQPAUKNCNCFVEL-HNNXBMFYSA-N 1 0 372.469 2.433 20 5 FEBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCN(C)CC1 ZINC000139814162 544405323 /nfs/dbraw/zinc/40/53/23/544405323.db2.gz YMLFFSUCVWQBII-GFCCVEGCSA-N 1 0 369.853 2.253 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000150746642 544466334 /nfs/dbraw/zinc/46/63/34/544466334.db2.gz BVTKOGUDHYVRHU-INIZCTEOSA-N 1 0 363.462 2.275 20 5 FEBDRO Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000150851010 544479235 /nfs/dbraw/zinc/47/92/35/544479235.db2.gz CBNVYGQOGYAPML-UHFFFAOYSA-N 1 0 356.382 2.316 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153422098 544773991 /nfs/dbraw/zinc/77/39/91/544773991.db2.gz BDFVJCRUMRFARN-KSSFIOAISA-N 1 0 359.426 2.449 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000153766846 544820397 /nfs/dbraw/zinc/82/03/97/544820397.db2.gz IFXKUSFJFXEFID-UKRRQHHQSA-N 1 0 350.419 2.212 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1F ZINC000154303839 544888301 /nfs/dbraw/zinc/88/83/01/544888301.db2.gz MVMWDGMJAKOTNJ-UHFFFAOYSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192678 545000325 /nfs/dbraw/zinc/00/03/25/545000325.db2.gz UOYMCNAVWKVTSB-SWLSCSKDSA-N 1 0 362.386 2.368 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000553675781 674278668 /nfs/dbraw/zinc/27/86/68/674278668.db2.gz VFJGWWRHMCNNDC-CHWSQXEVSA-N 1 0 353.444 2.061 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181299368 327724143 /nfs/dbraw/zinc/72/41/43/327724143.db2.gz ZPORLGRAPYERQN-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO COc1ccc(OCC[NH2+][C@H](C)c2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC000182678758 327784403 /nfs/dbraw/zinc/78/44/03/327784403.db2.gz XMMKDKWMAQJEJS-GFCCVEGCSA-N 1 0 357.370 2.376 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 ZINC000183195257 327806456 /nfs/dbraw/zinc/80/64/56/327806456.db2.gz JXMQHGAZYDIVCL-UHFFFAOYSA-N 1 0 358.324 2.344 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000187289468 328013638 /nfs/dbraw/zinc/01/36/38/328013638.db2.gz CCFSSXKBZAJASK-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187890474 328052923 /nfs/dbraw/zinc/05/29/23/328052923.db2.gz YKSSOTKLTMEIAQ-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000188426471 328086263 /nfs/dbraw/zinc/08/62/63/328086263.db2.gz HKZSDSPLMLWBLR-UHFFFAOYSA-N 1 0 370.409 2.432 20 5 FEBDRO C[C@@H](O)C[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000188730770 328107033 /nfs/dbraw/zinc/10/70/33/328107033.db2.gz CVJYUOIPWRGEKG-CYBMUJFWSA-N 1 0 362.455 2.217 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000189149800 328131592 /nfs/dbraw/zinc/13/15/92/328131592.db2.gz ZMMPRVTWZMFKJW-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000190022842 328182968 /nfs/dbraw/zinc/18/29/68/328182968.db2.gz FPVNIZIAMSVSEV-OAHLLOKOSA-N 1 0 374.441 2.237 20 5 FEBDRO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1=O ZINC000191640611 328275263 /nfs/dbraw/zinc/27/52/63/328275263.db2.gz DUXGLZXXJNHJSP-MRXNPFEDSA-N 1 0 357.414 2.405 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCc2nccn2Cc2ccccc2)n1 ZINC000191764109 328280587 /nfs/dbraw/zinc/28/05/87/328280587.db2.gz OCLISUWKVDSKPR-UHFFFAOYSA-N 1 0 368.397 2.029 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000191770034 328280818 /nfs/dbraw/zinc/28/08/18/328280818.db2.gz QCYOXEMCSYXNDO-HNNXBMFYSA-N 1 0 357.414 2.206 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)n1 ZINC000191870314 328285972 /nfs/dbraw/zinc/28/59/72/328285972.db2.gz NLTNPNKEXKIRDU-CYBMUJFWSA-N 1 0 372.429 2.162 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000191910696 328288483 /nfs/dbraw/zinc/28/84/83/328288483.db2.gz KSQMICPDPSZSRM-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000192003170 328293078 /nfs/dbraw/zinc/29/30/78/328293078.db2.gz YFZQIAYAWDCZBQ-KGLIPLIRSA-N 1 0 353.444 2.069 20 5 FEBDRO C[N@H+](CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC000192450875 328319709 /nfs/dbraw/zinc/31/97/09/328319709.db2.gz YSSUCNYQZGUYEL-UHFFFAOYSA-N 1 0 361.471 2.305 20 5 FEBDRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192788886 328339556 /nfs/dbraw/zinc/33/95/56/328339556.db2.gz KIIHMHJCLPTNEL-KRWDZBQOSA-N 1 0 367.471 2.233 20 5 FEBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000192883552 328345093 /nfs/dbraw/zinc/34/50/93/328345093.db2.gz DNSZJIRDIZFYEM-CYBMUJFWSA-N 1 0 362.430 2.158 20 5 FEBDRO Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000193010062 328351891 /nfs/dbraw/zinc/35/18/91/328351891.db2.gz SLSCDUZKBKWCHY-IAGOWNOFSA-N 1 0 369.425 2.491 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000193285857 328367070 /nfs/dbraw/zinc/36/70/70/328367070.db2.gz DOPDWQZBYUGHAU-GHMZBOCLSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000193293375 328367245 /nfs/dbraw/zinc/36/72/45/328367245.db2.gz NPDQSWRXNRGWFH-QWRGUYRKSA-N 1 0 361.851 2.352 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000193691954 328389797 /nfs/dbraw/zinc/38/97/97/328389797.db2.gz FSMALCGSHACQAR-WFASDCNBSA-N 1 0 356.382 2.088 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564102 328430021 /nfs/dbraw/zinc/43/00/21/328430021.db2.gz KUQPVJOWTFXEFV-HZMBPMFUSA-N 1 0 369.219 2.266 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000194894052 328445677 /nfs/dbraw/zinc/44/56/77/328445677.db2.gz YOBYRKLBMFHYOR-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1cccs1 ZINC000015171288 324381466 /nfs/dbraw/zinc/38/14/66/324381466.db2.gz XCEOESJCHFSSAZ-LBPRGKRZSA-N 1 0 370.456 2.019 20 5 FEBDRO CC1CC[NH+](Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)CC1 ZINC000029358865 324446477 /nfs/dbraw/zinc/44/64/77/324446477.db2.gz BLAIFBMJETWQKM-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000032588892 324478272 /nfs/dbraw/zinc/47/82/72/324478272.db2.gz JYXUSCHNASKING-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[NH2+]C1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000237147125 328506525 /nfs/dbraw/zinc/50/65/25/328506525.db2.gz DTRAYQJQUPFEFH-UHFFFAOYSA-N 1 0 371.441 2.280 20 5 FEBDRO C[C@H](CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237578136 328520980 /nfs/dbraw/zinc/52/09/80/328520980.db2.gz OWPAUHZCDRBDLQ-RBSFLKMASA-N 1 0 361.446 2.028 20 5 FEBDRO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000081732308 325194169 /nfs/dbraw/zinc/19/41/69/325194169.db2.gz XRCMTNIREAEDRG-NSHDSACASA-N 1 0 360.414 2.142 20 5 FEBDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000084365304 325234209 /nfs/dbraw/zinc/23/42/09/325234209.db2.gz RMPBJFGIZPFJJQ-UHFFFAOYSA-N 1 0 371.441 2.304 20 5 FEBDRO Cc1cc(S(=O)(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000088793615 325302885 /nfs/dbraw/zinc/30/28/85/325302885.db2.gz JETOFJRIJNDAPU-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cccc1[N+](=O)[O-] ZINC000090116127 325353846 /nfs/dbraw/zinc/35/38/46/325353846.db2.gz OORQAPAKQQEZCS-ZFWWWQNUSA-N 1 0 357.414 2.483 20 5 FEBDRO Cc1cccc(C)c1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000091058278 325371733 /nfs/dbraw/zinc/37/17/33/325371733.db2.gz XPBPFBLAVYUVBN-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332807 325490604 /nfs/dbraw/zinc/49/06/04/325490604.db2.gz RCUGTIKQBPHAFQ-GJZGRUSLSA-N 1 0 365.478 2.401 20 5 FEBDRO Cc1nn(C)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000103113119 325507094 /nfs/dbraw/zinc/50/70/94/325507094.db2.gz FHFBSYULALKTQS-UHFFFAOYSA-N 1 0 359.430 2.149 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000116248260 326001969 /nfs/dbraw/zinc/00/19/69/326001969.db2.gz QMGYDZRUBOTKSB-GUYCJALGSA-N 1 0 369.425 2.212 20 5 FEBDRO COCCOC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000116886771 326040231 /nfs/dbraw/zinc/04/02/31/326040231.db2.gz POEBJWICKGOAGA-UHFFFAOYSA-N 1 0 365.430 2.359 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000118098900 326081137 /nfs/dbraw/zinc/08/11/37/326081137.db2.gz ODPIUDVVPJUCBX-MRXNPFEDSA-N 1 0 364.446 2.324 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000118100248 326081244 /nfs/dbraw/zinc/08/12/44/326081244.db2.gz MYTLRTBYRANBJY-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000118098904 326081489 /nfs/dbraw/zinc/08/14/89/326081489.db2.gz ODPIUDVVPJUCBX-INIZCTEOSA-N 1 0 364.446 2.324 20 5 FEBDRO CCC[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120286959 326246744 /nfs/dbraw/zinc/24/67/44/326246744.db2.gz XIEVFAIVBULZDI-MRXNPFEDSA-N 1 0 355.460 2.450 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000120320322 326249644 /nfs/dbraw/zinc/24/96/44/326249644.db2.gz LZGMHFBLTWURDY-OAHLLOKOSA-N 1 0 364.446 2.426 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000120590432 326270938 /nfs/dbraw/zinc/27/09/38/326270938.db2.gz LAAZDWFUOXGMBF-OAHLLOKOSA-N 1 0 374.441 2.319 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120760769 326285786 /nfs/dbraw/zinc/28/57/86/326285786.db2.gz CLHQYUSWDFZYLG-CYBMUJFWSA-N 1 0 355.460 2.368 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000120901733 326297546 /nfs/dbraw/zinc/29/75/46/326297546.db2.gz PBHONBJCHGWFAV-LRDDRELGSA-N 1 0 363.414 2.184 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000121252040 326324796 /nfs/dbraw/zinc/32/47/96/326324796.db2.gz RXYJYSXQNMNLRS-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000121361419 326332737 /nfs/dbraw/zinc/33/27/37/326332737.db2.gz PBGUBUDATSSJBS-AWEZNQCLSA-N 1 0 374.441 2.283 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000121402228 326336138 /nfs/dbraw/zinc/33/61/38/326336138.db2.gz PPYVAHUZYPENHH-LLVKDONJSA-N 1 0 354.363 2.373 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000121766298 326365086 /nfs/dbraw/zinc/36/50/86/326365086.db2.gz ICNBWMBSQXCXCN-AWEZNQCLSA-N 1 0 374.441 2.317 20 5 FEBDRO COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000121795963 326367981 /nfs/dbraw/zinc/36/79/81/326367981.db2.gz YBAJEMLMWJOELI-OWQGQXMQSA-N 1 0 360.414 2.244 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122348083 326393302 /nfs/dbraw/zinc/39/33/02/326393302.db2.gz XJMNXUDVPWQHNL-HIFRSBDPSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000122426320 326396564 /nfs/dbraw/zinc/39/65/64/326396564.db2.gz ZEMJDCRQXPOKIC-YPMHNXCESA-N 1 0 373.862 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000125560560 326473830 /nfs/dbraw/zinc/47/38/30/326473830.db2.gz CCACJKBCWXQYIU-VXGBXAGGSA-N 1 0 351.403 2.335 20 5 FEBDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000152903992 326719233 /nfs/dbraw/zinc/71/92/33/326719233.db2.gz YPTQNGSLKUDREL-SJORKVTESA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000153128652 326724655 /nfs/dbraw/zinc/72/46/55/326724655.db2.gz PJFKOGLVGBYURA-QGZVFWFLSA-N 1 0 367.471 2.375 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000153495766 326734204 /nfs/dbraw/zinc/73/42/04/326734204.db2.gz OBCJMZINRVPODN-AOOOYVTPSA-N 1 0 361.320 2.358 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000153641608 326738512 /nfs/dbraw/zinc/73/85/12/326738512.db2.gz LPHJGWATBQWPBC-CHWSQXEVSA-N 1 0 371.441 2.279 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000153673694 326739334 /nfs/dbraw/zinc/73/93/34/326739334.db2.gz KZEUUPPUDYKOMZ-UHFFFAOYSA-N 1 0 371.397 2.079 20 5 FEBDRO [NH3+]C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000155584436 326794751 /nfs/dbraw/zinc/79/47/51/326794751.db2.gz DEQKLCMEYIHPEC-HNNXBMFYSA-N 1 0 357.414 2.418 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1SC ZINC000159962060 326948789 /nfs/dbraw/zinc/94/87/89/326948789.db2.gz FTEKSUACFNXZIB-PHIMTYICSA-N 1 0 351.428 2.292 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160413852 326964841 /nfs/dbraw/zinc/96/48/41/326964841.db2.gz MARKFXUYIQOGHK-UKRRQHHQSA-N 1 0 367.471 2.462 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163950502 327061834 /nfs/dbraw/zinc/06/18/34/327061834.db2.gz PIKJMTBZIAVHRK-HNNXBMFYSA-N 1 0 369.487 2.131 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)cc1 ZINC000165454830 327078097 /nfs/dbraw/zinc/07/80/97/327078097.db2.gz PDMRRCAXVYIGEM-OAHLLOKOSA-N 1 0 357.414 2.204 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)[NH+]2CCCC2)cc1 ZINC000165454953 327078174 /nfs/dbraw/zinc/07/81/74/327078174.db2.gz PDMRRCAXVYIGEM-HNNXBMFYSA-N 1 0 357.414 2.204 20 5 FEBDRO C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000165852052 327079414 /nfs/dbraw/zinc/07/94/14/327079414.db2.gz GICDMTFUEVELPD-NXEZZACHSA-N 1 0 356.220 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)o2)cc1 ZINC000171377338 327135751 /nfs/dbraw/zinc/13/57/51/327135751.db2.gz QYNINAVCVZQZSQ-ZDUSSCGKSA-N 1 0 360.370 2.230 20 5 FEBDRO O=C(CN1CCC(C[NH+]2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000171388056 327136201 /nfs/dbraw/zinc/13/62/01/327136201.db2.gz OURIZJOTKQHUEQ-UHFFFAOYSA-N 1 0 372.469 2.292 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171399410 327137066 /nfs/dbraw/zinc/13/70/66/327137066.db2.gz VUXIQUQAADPSEO-CQSZACIVSA-N 1 0 357.414 2.275 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000172168623 327185110 /nfs/dbraw/zinc/18/51/10/327185110.db2.gz SNCCSXOVKLKMLZ-GFCCVEGCSA-N 1 0 351.403 2.026 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1SC ZINC000172173471 327185471 /nfs/dbraw/zinc/18/54/71/327185471.db2.gz SIZDJUZIWWJJJK-NSHDSACASA-N 1 0 353.444 2.349 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172212410 327187584 /nfs/dbraw/zinc/18/75/84/327187584.db2.gz RXVUUYUZDOSVEK-UHFFFAOYSA-N 1 0 360.414 2.288 20 5 FEBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2cccnc2)CC1 ZINC000172244489 327189503 /nfs/dbraw/zinc/18/95/03/327189503.db2.gz BRFHHVCTUPYRRJ-UHFFFAOYSA-N 1 0 369.425 2.183 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000172550541 327207814 /nfs/dbraw/zinc/20/78/14/327207814.db2.gz BBCQEWPWDXYMIJ-JTQLQIEISA-N 1 0 356.220 2.381 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801024 327220113 /nfs/dbraw/zinc/22/01/13/327220113.db2.gz SCNIHANQMYYBAO-UKRRQHHQSA-N 1 0 362.430 2.101 20 5 FEBDRO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173278204 327246128 /nfs/dbraw/zinc/24/61/28/327246128.db2.gz CCVPOKAXVGFORK-GHMZBOCLSA-N 1 0 361.851 2.351 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000173614537 327271303 /nfs/dbraw/zinc/27/13/03/327271303.db2.gz KXLNTFMXAGVWDU-CYBMUJFWSA-N 1 0 359.430 2.277 20 5 FEBDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000174501378 327330915 /nfs/dbraw/zinc/33/09/15/327330915.db2.gz ZXERZXSSHSAPIB-UHFFFAOYSA-N 1 0 369.421 2.482 20 5 FEBDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655985 327341830 /nfs/dbraw/zinc/34/18/30/327341830.db2.gz CTKHKSHJGFYEPG-AWEZNQCLSA-N 1 0 369.219 2.047 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175126341 327375601 /nfs/dbraw/zinc/37/56/01/327375601.db2.gz LNOZZSSIJBHILW-UHFFFAOYSA-N 1 0 362.430 2.015 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000175809115 327414862 /nfs/dbraw/zinc/41/48/62/327414862.db2.gz RAOSYPQCGBQDCQ-LBPRGKRZSA-N 1 0 353.419 2.075 20 5 FEBDRO COc1ccc(C(=O)C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176201781 327440285 /nfs/dbraw/zinc/44/02/85/327440285.db2.gz NIWPDQZXKQJTGW-UHFFFAOYSA-N 1 0 358.398 2.395 20 5 FEBDRO CCC1(CNc2ccc(S(=O)(=O)NCC[NH+](C)C)cc2[N+](=O)[O-])CC1 ZINC000176973221 327488003 /nfs/dbraw/zinc/48/80/03/327488003.db2.gz ZDENCCZKUXZGJE-UHFFFAOYSA-N 1 0 370.475 2.037 20 5 FEBDRO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)C2=O)n(C)n1 ZINC000178689000 327600410 /nfs/dbraw/zinc/60/04/10/327600410.db2.gz LTIMIIMYJXTHAN-HIFRSBDPSA-N 1 0 357.414 2.401 20 5 FEBDRO CCOc1cc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000178811773 327608762 /nfs/dbraw/zinc/60/87/62/327608762.db2.gz XYYRJTFRJGWAET-NSHDSACASA-N 1 0 351.403 2.202 20 5 FEBDRO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2[N+](=O)[O-])C1 ZINC000246565718 328628078 /nfs/dbraw/zinc/62/80/78/328628078.db2.gz ASANSRSOQZIJPX-ZNMIVQPWSA-N 1 0 360.458 2.498 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000261671396 328810314 /nfs/dbraw/zinc/81/03/14/328810314.db2.gz HCMLJTNDRSWWRR-LLVKDONJSA-N 1 0 361.851 2.449 20 5 FEBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000261680034 328811007 /nfs/dbraw/zinc/81/10/07/328811007.db2.gz HTPVDLYALMODTK-HTQZYQBOSA-N 1 0 360.183 2.306 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000262367754 328861789 /nfs/dbraw/zinc/86/17/89/328861789.db2.gz LHPAFOYQEZBPJG-HNNXBMFYSA-N 1 0 369.425 2.385 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000264315826 329009532 /nfs/dbraw/zinc/00/95/32/329009532.db2.gz FBHWPBMSYGOVAN-MRXNPFEDSA-N 1 0 355.394 2.494 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000264379645 329016363 /nfs/dbraw/zinc/01/63/63/329016363.db2.gz FHQBCHZYOWNEFG-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO CC(=O)c1ccc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000264570135 329036803 /nfs/dbraw/zinc/03/68/03/329036803.db2.gz WXCIYQHTDKQYHP-QGZVFWFLSA-N 1 0 360.458 2.404 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264606128 329040138 /nfs/dbraw/zinc/04/01/38/329040138.db2.gz OOFCNNPHEYYXOD-HNNXBMFYSA-N 1 0 362.430 2.102 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C2CCC2)CC1 ZINC000265113147 329092190 /nfs/dbraw/zinc/09/21/90/329092190.db2.gz IATDVGNYCVOZQL-CYBMUJFWSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265923178 329172980 /nfs/dbraw/zinc/17/29/80/329172980.db2.gz CMQWMXQCIAFSPE-AWEZNQCLSA-N 1 0 363.414 2.312 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266132771 329193313 /nfs/dbraw/zinc/19/33/13/329193313.db2.gz BGSZJKZAYRMILU-ZDUSSCGKSA-N 1 0 371.434 2.230 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266351270 329213911 /nfs/dbraw/zinc/21/39/11/329213911.db2.gz XJPYMNOBPAEADE-HNNXBMFYSA-N 1 0 355.460 2.231 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000266653770 329246136 /nfs/dbraw/zinc/24/61/36/329246136.db2.gz ZFADTCQGCSGHBR-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000266987281 329280087 /nfs/dbraw/zinc/28/00/87/329280087.db2.gz IDADEGWFCZGFAP-UHFFFAOYSA-N 1 0 358.398 2.013 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1OC(F)F ZINC000267014872 329283384 /nfs/dbraw/zinc/28/33/84/329283384.db2.gz HNCQXWDSZQSWDA-UHFFFAOYSA-N 1 0 357.357 2.497 20 5 FEBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267063004 329287750 /nfs/dbraw/zinc/28/77/50/329287750.db2.gz JCQDMKPGHXKPEC-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO Nc1c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000267333177 329315791 /nfs/dbraw/zinc/31/57/91/329315791.db2.gz QWBIUMYRDQZLQY-INIZCTEOSA-N 1 0 368.437 2.471 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000267403021 329323746 /nfs/dbraw/zinc/32/37/46/329323746.db2.gz OUPGGGKEWWHQNZ-CYBMUJFWSA-N 1 0 366.849 2.100 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000268032063 329378694 /nfs/dbraw/zinc/37/86/94/329378694.db2.gz DWRJLLIQHGFCFW-UHFFFAOYSA-N 1 0 371.390 2.079 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000269155818 329491358 /nfs/dbraw/zinc/49/13/58/329491358.db2.gz VNYBVOUVRLNPFU-SECBINFHSA-N 1 0 373.356 2.404 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269164576 329492246 /nfs/dbraw/zinc/49/22/46/329492246.db2.gz CORVKOJZKHHZQW-UWVGGRQHSA-N 1 0 373.356 2.323 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000270057769 329571690 /nfs/dbraw/zinc/57/16/90/329571690.db2.gz DPWOQVXYPQNDTD-ZDUSSCGKSA-N 1 0 362.386 2.307 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000270773072 329630286 /nfs/dbraw/zinc/63/02/86/329630286.db2.gz FFOKXRAEHFILIA-GFCCVEGCSA-N 1 0 355.460 2.403 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000273007576 329829659 /nfs/dbraw/zinc/82/96/59/329829659.db2.gz VKZGTCPRNQNKKT-SFHVURJKSA-N 1 0 374.441 2.419 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273374912 329859882 /nfs/dbraw/zinc/85/98/82/329859882.db2.gz HMRMGHSTICEIFR-RYUDHWBXSA-N 1 0 354.382 2.355 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106661 329916144 /nfs/dbraw/zinc/91/61/44/329916144.db2.gz VJLRSFIQPGAVOQ-WOPDTQHZSA-N 1 0 367.402 2.108 20 5 FEBDRO CS[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1[NH+](C)C ZINC000275662745 330075675 /nfs/dbraw/zinc/07/56/75/330075675.db2.gz WBOGKNWGEXTDQP-GJZGRUSLSA-N 1 0 370.450 2.040 20 5 FEBDRO CCOCCOCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276290466 330137670 /nfs/dbraw/zinc/13/76/70/330137670.db2.gz UABQXCVSHNEXFK-UHFFFAOYSA-N 1 0 357.382 2.047 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000276324614 330140894 /nfs/dbraw/zinc/14/08/94/330140894.db2.gz ZHHDKRYGPVAMJQ-UHFFFAOYSA-N 1 0 356.426 2.427 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000276415432 330149849 /nfs/dbraw/zinc/14/98/49/330149849.db2.gz SCBGHOWYZNHMSN-UHFFFAOYSA-N 1 0 353.419 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000299697081 330199414 /nfs/dbraw/zinc/19/94/14/330199414.db2.gz OLVLWHILIAXMON-UONOGXRCSA-N 1 0 362.430 2.091 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367063903 330212750 /nfs/dbraw/zinc/21/27/50/330212750.db2.gz AMEAWPILKJAVJB-HNNXBMFYSA-N 1 0 371.441 2.169 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555075774 674346854 /nfs/dbraw/zinc/34/68/54/674346854.db2.gz AKQDSUBOLMFFCN-NSHDSACASA-N 1 0 359.329 2.246 20 5 FEBDRO O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000477711903 561151664 /nfs/dbraw/zinc/15/16/64/561151664.db2.gz LHDHZYFHYHZEDS-UHFFFAOYSA-N 1 0 358.398 2.380 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000158573996 545873663 /nfs/dbraw/zinc/87/36/63/545873663.db2.gz VBVNWDUAWFUPID-LBPRGKRZSA-N 1 0 371.434 2.371 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000478480341 561168081 /nfs/dbraw/zinc/16/80/81/561168081.db2.gz KBBLBJXNSASIHV-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160115886 546009024 /nfs/dbraw/zinc/00/90/24/546009024.db2.gz ZENGQESCMMBHHV-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160419989 546039092 /nfs/dbraw/zinc/03/90/92/546039092.db2.gz BWTQKSBXVGJVJY-MSOLQXFVSA-N 1 0 361.442 2.021 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160528899 546048777 /nfs/dbraw/zinc/04/87/77/546048777.db2.gz KJTBGCOZNAFALE-NDUHVBCRSA-N 1 0 373.453 2.492 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CCN(c3cc[nH+]cc3)CC2)c2c(c1)COCO2 ZINC000161322189 546119932 /nfs/dbraw/zinc/11/99/32/546119932.db2.gz ZZZYPMXSQXJFIX-UHFFFAOYSA-N 1 0 356.382 2.179 20 5 FEBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175934588 546376223 /nfs/dbraw/zinc/37/62/23/546376223.db2.gz HHDSARNNRSCIFA-OAHLLOKOSA-N 1 0 361.442 2.287 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000480081219 561202634 /nfs/dbraw/zinc/20/26/34/561202634.db2.gz ILLJJKFSQMABIR-UHFFFAOYSA-N 1 0 364.494 2.114 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000480084281 561202663 /nfs/dbraw/zinc/20/26/63/561202663.db2.gz JZSXUONOFPSENK-OAHLLOKOSA-N 1 0 351.451 2.201 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000481042037 561223660 /nfs/dbraw/zinc/22/36/60/561223660.db2.gz VMZYQFIWNDKTEI-CYBMUJFWSA-N 1 0 364.446 2.204 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000178099273 546739358 /nfs/dbraw/zinc/73/93/58/546739358.db2.gz QPJQVCRLUIFCOI-UHFFFAOYSA-N 1 0 373.413 2.295 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3nc(C)ccc3[N+](=O)[O-])cn2)CC1 ZINC000481679648 561238489 /nfs/dbraw/zinc/23/84/89/561238489.db2.gz VAAOTSYKYQUORC-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000178926230 546874835 /nfs/dbraw/zinc/87/48/35/546874835.db2.gz ABUDMRGVSUMBSF-BBRMVZONSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000481829959 561243465 /nfs/dbraw/zinc/24/34/65/561243465.db2.gz MZBLZMMYPFELSH-WMZOPIPTSA-N 1 0 357.385 2.490 20 5 FEBDRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179347906 546937003 /nfs/dbraw/zinc/93/70/03/546937003.db2.gz MULRBOIUQCFCLA-OAHLLOKOSA-N 1 0 365.430 2.359 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179363807 546940294 /nfs/dbraw/zinc/94/02/94/546940294.db2.gz BOXNRCNNCHZUKY-MRXNPFEDSA-N 1 0 374.441 2.092 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179764140 547010366 /nfs/dbraw/zinc/01/03/66/547010366.db2.gz MIPCEVRBYHIJQF-IBGZPJMESA-N 1 0 371.393 2.269 20 5 FEBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000181114584 547252411 /nfs/dbraw/zinc/25/24/11/547252411.db2.gz FJIVOWQMXYQSQE-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000181510218 547325925 /nfs/dbraw/zinc/32/59/25/547325925.db2.gz LGOHGJUVBAIDKK-SJLPKXTDSA-N 1 0 352.431 2.255 20 5 FEBDRO COC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000181673580 547358003 /nfs/dbraw/zinc/35/80/03/547358003.db2.gz REFIWYCKWREYQW-KRWDZBQOSA-N 1 0 355.394 2.461 20 5 FEBDRO CS(=O)(=O)C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181778737 547379445 /nfs/dbraw/zinc/37/94/45/547379445.db2.gz OCINJLOSBIQONR-QGZVFWFLSA-N 1 0 364.423 2.349 20 5 FEBDRO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181934875 547408562 /nfs/dbraw/zinc/40/85/62/547408562.db2.gz PJQJEJLIHGQGQX-FDQGKXFDSA-N 1 0 352.431 2.470 20 5 FEBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000182232003 547457856 /nfs/dbraw/zinc/45/78/56/547457856.db2.gz YJKKFZNFUPWWPU-UHFFFAOYSA-N 1 0 361.851 2.104 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182744720 547545327 /nfs/dbraw/zinc/54/53/27/547545327.db2.gz AVQJQGJMGVIQQE-MRXNPFEDSA-N 1 0 360.458 2.204 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000183391871 547649671 /nfs/dbraw/zinc/64/96/71/547649671.db2.gz BPOYTPCMPDEINK-INIZCTEOSA-N 1 0 373.384 2.231 20 5 FEBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000484643794 561302095 /nfs/dbraw/zinc/30/20/95/561302095.db2.gz DMGWRTACYWGXDI-NZSAHSFTSA-N 1 0 374.441 2.440 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933726 547741247 /nfs/dbraw/zinc/74/12/47/547741247.db2.gz HAIXXJXUZXFXHS-LBPRGKRZSA-N 1 0 369.853 2.396 20 5 FEBDRO CC(C)(CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000184191864 547784115 /nfs/dbraw/zinc/78/41/15/547784115.db2.gz JOTVTKPTELJOKP-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000184826079 547884384 /nfs/dbraw/zinc/88/43/84/547884384.db2.gz GKTXUDVWWLXEBG-LEWSCRJBSA-N 1 0 359.386 2.340 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184979048 547911013 /nfs/dbraw/zinc/91/10/13/547911013.db2.gz NNUYHFFOTHUBAC-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495056 548143829 /nfs/dbraw/zinc/14/38/29/548143829.db2.gz LXKCVZJOVHMDKC-AWEZNQCLSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000485871843 561330593 /nfs/dbraw/zinc/33/05/93/561330593.db2.gz IGGYMRBADSQJHY-ZDUSSCGKSA-N 1 0 364.446 2.467 20 5 FEBDRO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000186752949 548185658 /nfs/dbraw/zinc/18/56/58/548185658.db2.gz IPRBBLYBESLMCE-CYBMUJFWSA-N 1 0 350.419 2.212 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000193944386 548411192 /nfs/dbraw/zinc/41/11/92/548411192.db2.gz VGTLGXMSDGOVEY-CYBMUJFWSA-N 1 0 370.409 2.472 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000193944369 548411252 /nfs/dbraw/zinc/41/12/52/548411252.db2.gz VGTLGXMSDGOVEY-ZDUSSCGKSA-N 1 0 370.409 2.472 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486514749 561349521 /nfs/dbraw/zinc/34/95/21/561349521.db2.gz FFHTVZBRHKOMLY-HNNXBMFYSA-N 1 0 350.419 2.085 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194221572 548451169 /nfs/dbraw/zinc/45/11/69/548451169.db2.gz VTXKVPDICPCJFN-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Br)cc1 ZINC000194564150 548499411 /nfs/dbraw/zinc/49/94/11/548499411.db2.gz KUQPVJOWTFXEFV-QMTHXVAHSA-N 1 0 369.219 2.266 20 5 FEBDRO CC1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)OCCO1 ZINC000194626983 548508292 /nfs/dbraw/zinc/50/82/92/548508292.db2.gz HSJGKNMJWQIDAZ-ZDUSSCGKSA-N 1 0 351.359 2.478 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000194982622 548558937 /nfs/dbraw/zinc/55/89/37/548558937.db2.gz IUGUHDOYWMSWBQ-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236778978 548779041 /nfs/dbraw/zinc/77/90/41/548779041.db2.gz WMOYYTFEUADBHL-INIZCTEOSA-N 1 0 359.430 2.441 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000487645077 561373076 /nfs/dbraw/zinc/37/30/76/561373076.db2.gz AWKKRTCWQZHRTB-GFCCVEGCSA-N 1 0 371.384 2.033 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487930190 561379148 /nfs/dbraw/zinc/37/91/48/561379148.db2.gz FBDLAYJLBWYKFQ-UHFFFAOYSA-N 1 0 372.425 2.252 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487941472 561379344 /nfs/dbraw/zinc/37/93/44/561379344.db2.gz DFEPDRNAVFNRGB-INIZCTEOSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246206417 549077835 /nfs/dbraw/zinc/07/78/35/549077835.db2.gz PAKPJOBDPZFBIK-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000246225906 549083718 /nfs/dbraw/zinc/08/37/18/549083718.db2.gz FIDNUDWDQSEAPU-KSSFIOAISA-N 1 0 359.426 2.449 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246253220 549089828 /nfs/dbraw/zinc/08/98/28/549089828.db2.gz KCOJQWGSBZXUEE-HUUCEWRRSA-N 1 0 369.487 2.177 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000488716138 561395054 /nfs/dbraw/zinc/39/50/54/561395054.db2.gz QWKXFZCSOJFMKD-LJQANCHMSA-N 1 0 369.425 2.091 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246762979 549206815 /nfs/dbraw/zinc/20/68/15/549206815.db2.gz KIUBCFPDLUNXBZ-DOTOQJQBSA-N 1 0 363.458 2.391 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246859306 549230081 /nfs/dbraw/zinc/23/00/81/549230081.db2.gz LANZJOJLOAYTCQ-CZUORRHYSA-N 1 0 362.430 2.229 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246974827 549255673 /nfs/dbraw/zinc/25/56/73/549255673.db2.gz JIXLWIPEQMXRKN-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@H](O)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000248473688 549447602 /nfs/dbraw/zinc/44/76/02/549447602.db2.gz WWUPUHLZUIOSLY-GOEBONIOSA-N 1 0 352.431 2.350 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248477985 549447796 /nfs/dbraw/zinc/44/77/96/549447796.db2.gz PDWYXOYUEFJHDI-SWLSCSKDSA-N 1 0 371.434 2.147 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000248704187 549487301 /nfs/dbraw/zinc/48/73/01/549487301.db2.gz LNEKNUUMLQBARY-OXQOHEQNSA-N 1 0 370.405 2.466 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000249093929 549550669 /nfs/dbraw/zinc/55/06/69/549550669.db2.gz OJVJNYMPFVQLQH-KBPBESRZSA-N 1 0 355.460 2.135 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC000255569475 549707234 /nfs/dbraw/zinc/70/72/34/549707234.db2.gz YABVVYGRTHJQDN-TWGQIWQCSA-N 1 0 361.423 2.176 20 5 FEBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255553362 549707264 /nfs/dbraw/zinc/70/72/64/549707264.db2.gz UZBUDPOECWFCEM-IOBAAEILSA-N 1 0 367.471 2.402 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261610526 549733609 /nfs/dbraw/zinc/73/36/09/549733609.db2.gz BVZXFQQNCVXKIT-DLBZAZTESA-N 1 0 354.410 2.268 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000261751484 549751410 /nfs/dbraw/zinc/75/14/10/549751410.db2.gz UUAZICWUVZPJHF-INIZCTEOSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261766820 549753080 /nfs/dbraw/zinc/75/30/80/549753080.db2.gz QIRIAMFOZMHVCV-WDEREUQCSA-N 1 0 361.851 2.223 20 5 FEBDRO COc1ccccc1[C@H]1CNCCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000261907464 549768870 /nfs/dbraw/zinc/76/88/70/549768870.db2.gz HDCUWBVLEDIVGL-MRXNPFEDSA-N 1 0 371.393 2.399 20 5 FEBDRO [NH3+][C@H](CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000261974446 549776183 /nfs/dbraw/zinc/77/61/83/549776183.db2.gz UWFANIBJHFPOTC-LLVKDONJSA-N 1 0 360.336 2.269 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@@H+]1C ZINC000490290321 561430382 /nfs/dbraw/zinc/43/03/82/561430382.db2.gz HXCSSAZHTIKACZ-HNNXBMFYSA-N 1 0 367.471 2.091 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261513 550042123 /nfs/dbraw/zinc/04/21/23/550042123.db2.gz ZIWOAMYIMKISSM-DYVFJYSZSA-N 1 0 358.442 2.408 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000268844989 550122685 /nfs/dbraw/zinc/12/26/85/550122685.db2.gz NPWJZQDFHDLEFU-QAPCUYQASA-N 1 0 362.474 2.497 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000269015764 550144552 /nfs/dbraw/zinc/14/45/52/550144552.db2.gz ODQUMWXRJMLTDZ-SWLSCSKDSA-N 1 0 351.378 2.055 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000269049942 550149480 /nfs/dbraw/zinc/14/94/80/550149480.db2.gz XOFWPPBKBJETKT-RDJZCZTQSA-N 1 0 356.426 2.492 20 5 FEBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269086662 550153181 /nfs/dbraw/zinc/15/31/81/550153181.db2.gz JKBLMNYXEWKEBJ-UHFFFAOYSA-N 1 0 357.414 2.207 20 5 FEBDRO CCOc1cc(C[NH2+]C2(CC(=O)OC)CCOCC2)ccc1[N+](=O)[O-] ZINC000492747056 561452540 /nfs/dbraw/zinc/45/25/40/561452540.db2.gz KPNXWYFCPHFUEV-UHFFFAOYSA-N 1 0 352.387 2.195 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000270173239 550254165 /nfs/dbraw/zinc/25/41/65/550254165.db2.gz DBVFHSKPYZPZGJ-CYBMUJFWSA-N 1 0 371.434 2.086 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270179644 550254397 /nfs/dbraw/zinc/25/43/97/550254397.db2.gz FMTUZTDYMRBDRO-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271622733 550390580 /nfs/dbraw/zinc/39/05/80/550390580.db2.gz NDUIPLCYCOXYJO-ZNMIVQPWSA-N 1 0 364.446 2.454 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000271717543 550396974 /nfs/dbraw/zinc/39/69/74/550396974.db2.gz KIEKVQLMSXEBED-UHFFFAOYSA-N 1 0 351.403 2.433 20 5 FEBDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272252727 550431666 /nfs/dbraw/zinc/43/16/66/550431666.db2.gz CEWIQPLRMUUPEP-MFKMUULPSA-N 1 0 360.357 2.450 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000272550196 550457489 /nfs/dbraw/zinc/45/74/89/550457489.db2.gz CYJCTYSUUQNRHX-DNVCBOLYSA-N 1 0 372.469 2.364 20 5 FEBDRO Cc1ccnc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000272894731 550475908 /nfs/dbraw/zinc/47/59/08/550475908.db2.gz FKHLMADECMEACW-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO C[NH+](C)CCc1ccc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])cc1 ZINC000273456779 550499278 /nfs/dbraw/zinc/49/92/78/550499278.db2.gz HLDQYWYTDBXQQU-UHFFFAOYSA-N 1 0 364.427 2.090 20 5 FEBDRO CCO[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486762 550500292 /nfs/dbraw/zinc/50/02/92/550500292.db2.gz VWCSSUWENFWGTJ-CVEARBPZSA-N 1 0 368.455 2.306 20 5 FEBDRO COc1cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c([N+](=O)[O-])cc1O ZINC000276722548 550589201 /nfs/dbraw/zinc/58/92/01/550589201.db2.gz SQJMMEZYWGBBHT-CQSZACIVSA-N 1 0 350.346 2.141 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)CO)ccc1Oc1ccccc1Cl ZINC000276811352 550598720 /nfs/dbraw/zinc/59/87/20/550598720.db2.gz UZLYHIBNPQIRPF-LBPRGKRZSA-N 1 0 352.774 2.483 20 5 FEBDRO COc1ccc(OC(=O)[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] ZINC000276897283 550608259 /nfs/dbraw/zinc/60/82/59/550608259.db2.gz NWKADSKGYKPCPK-GOSISDBHSA-N 1 0 372.377 2.410 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000277034195 550624364 /nfs/dbraw/zinc/62/43/64/550624364.db2.gz OMMVVCHFNXHFCC-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000277388401 550664504 /nfs/dbraw/zinc/66/45/04/550664504.db2.gz XEVAVBRZVDOTLP-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468241 550674237 /nfs/dbraw/zinc/67/42/37/550674237.db2.gz PJMXNUHHFOTNPD-CABCVRRESA-N 1 0 364.446 2.456 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000278142862 550754215 /nfs/dbraw/zinc/75/42/15/550754215.db2.gz AGZQNWZPWNHCHW-NEPJUHHUSA-N 1 0 360.418 2.095 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278200749 550760219 /nfs/dbraw/zinc/76/02/19/550760219.db2.gz PWDHHWHPNUOIAW-UHFFFAOYSA-N 1 0 360.418 2.002 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278389200 550780097 /nfs/dbraw/zinc/78/00/97/550780097.db2.gz ZUWOLLCQEPHOFS-GFCCVEGCSA-N 1 0 360.418 2.145 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000278549482 550798202 /nfs/dbraw/zinc/79/82/02/550798202.db2.gz OMFKZAPFMNYHFL-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278607516 550803957 /nfs/dbraw/zinc/80/39/57/550803957.db2.gz GGIDBZFJZXAKPV-UHFFFAOYSA-N 1 0 374.445 2.487 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000278772059 550820237 /nfs/dbraw/zinc/82/02/37/550820237.db2.gz NRCPNKSTXQABNI-LKTVYLICSA-N 1 0 371.821 2.359 20 5 FEBDRO CCn1nccc1C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000278843625 550827876 /nfs/dbraw/zinc/82/78/76/550827876.db2.gz JODMOCBKWVWGLU-KRWDZBQOSA-N 1 0 374.441 2.431 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000278957479 550840258 /nfs/dbraw/zinc/84/02/58/550840258.db2.gz ZNSGTFLHUGDRND-NSHDSACASA-N 1 0 369.368 2.198 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000279148498 550858982 /nfs/dbraw/zinc/85/89/82/550858982.db2.gz GYLCWYGXGUWBSQ-UHFFFAOYSA-N 1 0 364.421 2.404 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000279247170 550869632 /nfs/dbraw/zinc/86/96/32/550869632.db2.gz KTYOBQASDKBYCZ-VDHUWJSZSA-N 1 0 362.426 2.272 20 5 FEBDRO Cc1ccc([C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)cc1 ZINC000279882813 550939251 /nfs/dbraw/zinc/93/92/51/550939251.db2.gz CNWPORCMVKELOS-PKOBYXMFSA-N 1 0 367.409 2.235 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280153899 550965740 /nfs/dbraw/zinc/96/57/40/550965740.db2.gz RRQMFBVJHXXGEC-QGZVFWFLSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280246435 550974325 /nfs/dbraw/zinc/97/43/25/550974325.db2.gz BGSMMIDVZRAQRN-KSSFIOAISA-N 1 0 363.414 2.112 20 5 FEBDRO Nc1c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000280675852 551020204 /nfs/dbraw/zinc/02/02/04/551020204.db2.gz VEGAAFBKCGVMCR-IYBDPMFKSA-N 1 0 366.421 2.381 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281476113 551102375 /nfs/dbraw/zinc/10/23/75/551102375.db2.gz WHADYVRIWIMBNH-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO COc1ccc(OCC[NH2+][C@]2(CO)CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000281652104 551126086 /nfs/dbraw/zinc/12/60/86/551126086.db2.gz KAWACUJNJXCIOI-IBGZPJMESA-N 1 0 374.393 2.242 20 5 FEBDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282163722 551189104 /nfs/dbraw/zinc/18/91/04/551189104.db2.gz HCLRRQCQUQXCLM-AWEZNQCLSA-N 1 0 356.430 2.195 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283032533 551300696 /nfs/dbraw/zinc/30/06/96/551300696.db2.gz HSNIFVCYFSLNIB-MRXNPFEDSA-N 1 0 350.438 2.336 20 5 FEBDRO CN1CCO[C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000283950548 551455946 /nfs/dbraw/zinc/45/59/46/551455946.db2.gz AOKXOEKFDOIOCC-IAGOWNOFSA-N 1 0 372.425 2.197 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000284112815 551486080 /nfs/dbraw/zinc/48/60/80/551486080.db2.gz UKBPJDNFXROZCD-LBPRGKRZSA-N 1 0 350.394 2.407 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000284316894 551522521 /nfs/dbraw/zinc/52/25/21/551522521.db2.gz LOXICDYWGBERHG-INWMFGNUSA-N 1 0 367.446 2.060 20 5 FEBDRO CSc1ccc(C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000498324440 561522222 /nfs/dbraw/zinc/52/22/22/561522222.db2.gz OBMNHICCFAIEKG-UHFFFAOYSA-N 1 0 367.471 2.500 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284650637 551598595 /nfs/dbraw/zinc/59/85/95/551598595.db2.gz WTMHZEXPPBLHKE-UONOGXRCSA-N 1 0 356.220 2.267 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000498566277 561528544 /nfs/dbraw/zinc/52/85/44/561528544.db2.gz DQFWDDXETAGUKE-RYUDHWBXSA-N 1 0 358.398 2.403 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000498582587 561529532 /nfs/dbraw/zinc/52/95/32/561529532.db2.gz DHONXYPGMOSHMI-ZIAGYGMSSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284963370 551678085 /nfs/dbraw/zinc/67/80/85/551678085.db2.gz FNHUJRUGHBSAKU-LBPRGKRZSA-N 1 0 358.398 2.153 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1OC ZINC000498712315 561532465 /nfs/dbraw/zinc/53/24/65/561532465.db2.gz WZQGNWPYNXGERR-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285293048 551733230 /nfs/dbraw/zinc/73/32/30/551733230.db2.gz RSFHNXPRQVWSEC-LKFCYVNXSA-N 1 0 373.335 2.011 20 5 FEBDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447792 551758543 /nfs/dbraw/zinc/75/85/43/551758543.db2.gz ZIRVXQKHGSPNAK-DYVFJYSZSA-N 1 0 369.425 2.414 20 5 FEBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714595 551799844 /nfs/dbraw/zinc/79/98/44/551799844.db2.gz UCMOAUGJPZQIJM-JKSUJKDBSA-N 1 0 351.403 2.229 20 5 FEBDRO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286041611 551841877 /nfs/dbraw/zinc/84/18/77/551841877.db2.gz BOXQFSBASDIEEE-AWEZNQCLSA-N 1 0 356.430 2.195 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000286618765 551906860 /nfs/dbraw/zinc/90/68/60/551906860.db2.gz HWPPWANSNFLWSS-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000286878796 551936067 /nfs/dbraw/zinc/93/60/67/551936067.db2.gz ZFVJLWLXUICSSZ-ZFWWWQNUSA-N 1 0 353.444 2.151 20 5 FEBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ccc(N)cc2[N+](=O)[O-])c1 ZINC000287708545 552036784 /nfs/dbraw/zinc/03/67/84/552036784.db2.gz FKAWRBVZZHGHNF-UHFFFAOYSA-N 1 0 357.414 2.081 20 5 FEBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000288208611 552110715 /nfs/dbraw/zinc/11/07/15/552110715.db2.gz MSHVRPUXZKIJPF-UHFFFAOYSA-N 1 0 374.401 2.159 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000288311111 552130824 /nfs/dbraw/zinc/13/08/24/552130824.db2.gz MANLQHLWBKGDOL-UHFFFAOYSA-N 1 0 372.425 2.245 20 5 FEBDRO C[C@@H](CCO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289582361 552344646 /nfs/dbraw/zinc/34/46/46/552344646.db2.gz SRBFMBQHCAESPS-VIFPVBQESA-N 1 0 364.183 2.308 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289858411 552390080 /nfs/dbraw/zinc/39/00/80/552390080.db2.gz CNLNAONVAJRCGK-UWVGGRQHSA-N 1 0 354.204 2.039 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290019083 552415023 /nfs/dbraw/zinc/41/50/23/552415023.db2.gz VADFXRIDQKEPSQ-KGLIPLIRSA-N 1 0 366.805 2.131 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290117641 552429835 /nfs/dbraw/zinc/42/98/35/552429835.db2.gz KVYHBAYBWIZFFX-HNNXBMFYSA-N 1 0 369.425 2.242 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000290403216 552473484 /nfs/dbraw/zinc/47/34/84/552473484.db2.gz NIKCHTIKEDCFHI-CYBMUJFWSA-N 1 0 350.419 2.078 20 5 FEBDRO NC(=O)c1ccnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290518477 552491989 /nfs/dbraw/zinc/49/19/89/552491989.db2.gz FZRNNEQQTNHOKQ-HNNXBMFYSA-N 1 0 369.425 2.065 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000500936236 561586051 /nfs/dbraw/zinc/58/60/51/561586051.db2.gz PSPITJIJRSTUBK-GOEBONIOSA-N 1 0 369.487 2.272 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000290582003 552502213 /nfs/dbraw/zinc/50/22/13/552502213.db2.gz URLWBYMFDMANNE-CJNGLKHVSA-N 1 0 374.441 2.181 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000290739686 552529763 /nfs/dbraw/zinc/52/97/63/552529763.db2.gz XIBAQJQWXIFBCI-CQSZACIVSA-N 1 0 368.503 2.075 20 5 FEBDRO C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000290779418 552536728 /nfs/dbraw/zinc/53/67/28/552536728.db2.gz MRHVJIOQLAVMBD-CQSZACIVSA-N 1 0 369.425 2.190 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000291264202 552607952 /nfs/dbraw/zinc/60/79/52/552607952.db2.gz KUMUNJGAOKIYND-AWEZNQCLSA-N 1 0 362.430 2.038 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291345707 552616926 /nfs/dbraw/zinc/61/69/26/552616926.db2.gz XOFOMKHTEOUQIK-KRWDZBQOSA-N 1 0 371.441 2.210 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000292148416 552698673 /nfs/dbraw/zinc/69/86/73/552698673.db2.gz UBHZLZOEMDQGCR-SECBINFHSA-N 1 0 361.345 2.452 20 5 FEBDRO O=C(CN1CCOC[C@@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292173202 552701124 /nfs/dbraw/zinc/70/11/24/552701124.db2.gz PUACEMSCWOLUOS-INIZCTEOSA-N 1 0 359.426 2.232 20 5 FEBDRO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292313620 552715257 /nfs/dbraw/zinc/71/52/57/552715257.db2.gz OLSXUIQBGMXXAU-ZDUSSCGKSA-N 1 0 367.471 2.309 20 5 FEBDRO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962697 552775339 /nfs/dbraw/zinc/77/53/39/552775339.db2.gz FVIVYWVQZBEGBX-CRAIPNDOSA-N 1 0 352.431 2.065 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293457279 552825801 /nfs/dbraw/zinc/82/58/01/552825801.db2.gz TYIFGENYISYJOK-IBGZPJMESA-N 1 0 374.441 2.094 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+](C2CCC2)C1 ZINC000293727736 552850812 /nfs/dbraw/zinc/85/08/12/552850812.db2.gz QBLPWOLJZSVZDK-LBPRGKRZSA-N 1 0 361.398 2.270 20 5 FEBDRO Cc1nn([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128303 552884206 /nfs/dbraw/zinc/88/42/06/552884206.db2.gz FGKPFKIRRLLXEF-GOEBONIOSA-N 1 0 357.414 2.051 20 5 FEBDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000294856962 552939027 /nfs/dbraw/zinc/93/90/27/552939027.db2.gz CTXLERGCLSVORG-CYBMUJFWSA-N 1 0 362.459 2.416 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000294921953 552944327 /nfs/dbraw/zinc/94/43/27/552944327.db2.gz INRHHTAAUPCBBX-STQMWFEESA-N 1 0 360.414 2.043 20 5 FEBDRO Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ncc1[N+](=O)[O-] ZINC000295130474 552961898 /nfs/dbraw/zinc/96/18/98/552961898.db2.gz YAYZEHBGBFJLEG-MRXNPFEDSA-N 1 0 357.414 2.396 20 5 FEBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295462928 553010505 /nfs/dbraw/zinc/01/05/05/553010505.db2.gz QHLQPDIQSHJIGG-AEFFLSMTSA-N 1 0 372.425 2.197 20 5 FEBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502281612 561615494 /nfs/dbraw/zinc/61/54/94/561615494.db2.gz LIFVZXRJQSSLKH-KCXAZCMYSA-N 1 0 353.444 2.041 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]2CCO[C@@H]21 ZINC000295846517 553067329 /nfs/dbraw/zinc/06/73/29/553067329.db2.gz DEFDWJZSPHSYSP-LYRGGWFBSA-N 1 0 351.378 2.466 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CCc4cccs4)CC3)nn21 ZINC000502407703 561617898 /nfs/dbraw/zinc/61/78/98/561617898.db2.gz NTTYUZSEGRZVAK-UHFFFAOYSA-N 1 0 358.427 2.064 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296145224 553111900 /nfs/dbraw/zinc/11/19/00/553111900.db2.gz SAHIQPRRSNFVGO-ZDUSSCGKSA-N 1 0 365.430 2.415 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296661905 553195100 /nfs/dbraw/zinc/19/51/00/553195100.db2.gz QJSVKYBOMWVXCH-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296853383 553220762 /nfs/dbraw/zinc/22/07/62/553220762.db2.gz ORZPDUCVSAXQIX-KGLIPLIRSA-N 1 0 364.446 2.142 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000502851408 561627858 /nfs/dbraw/zinc/62/78/58/561627858.db2.gz LPMNJVUAXGVNAQ-GXTWGEPZSA-N 1 0 351.403 2.073 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000296937634 553232393 /nfs/dbraw/zinc/23/23/93/553232393.db2.gz XIRITZNFXHDBKI-ZDUSSCGKSA-N 1 0 364.402 2.004 20 5 FEBDRO Cc1nc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)ncc1[N+](=O)[O-] ZINC000297217509 553265218 /nfs/dbraw/zinc/26/52/18/553265218.db2.gz SOKQAPJWNODGSA-NSHDSACASA-N 1 0 363.447 2.484 20 5 FEBDRO C[NH+](C)CCn1nccc1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297430110 553291308 /nfs/dbraw/zinc/29/13/08/553291308.db2.gz PBFYFTSASNVBQN-UHFFFAOYSA-N 1 0 360.418 2.410 20 5 FEBDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000297841664 553345925 /nfs/dbraw/zinc/34/59/25/553345925.db2.gz KNRPNDPMNJHODY-LLVKDONJSA-N 1 0 370.837 2.279 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000297939214 553359980 /nfs/dbraw/zinc/35/99/80/553359980.db2.gz RTOYEQWJDKKDDO-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000297941946 553360304 /nfs/dbraw/zinc/36/03/04/553360304.db2.gz AJBBCFACBVKEAC-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000298368607 553417550 /nfs/dbraw/zinc/41/75/50/553417550.db2.gz CRSBPZTZSDSBSO-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])cc1OCC ZINC000298482719 553430404 /nfs/dbraw/zinc/43/04/04/553430404.db2.gz WIXAIERRIGMBAR-LLVKDONJSA-N 1 0 354.407 2.464 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC ZINC000298500750 553432991 /nfs/dbraw/zinc/43/29/91/553432991.db2.gz NSDWNZOHWQGDKJ-KBPBESRZSA-N 1 0 363.414 2.359 20 5 FEBDRO C[NH+](C)C1(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CCCCC1 ZINC000298528594 553436318 /nfs/dbraw/zinc/43/63/18/553436318.db2.gz ZANOWKFPYVKHRL-UHFFFAOYSA-N 1 0 363.414 2.167 20 5 FEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000298530778 553436517 /nfs/dbraw/zinc/43/65/17/553436517.db2.gz WUQPLTCCWYUYSF-QWHCGFSZSA-N 1 0 363.414 2.216 20 5 FEBDRO COc1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000299017370 553503909 /nfs/dbraw/zinc/50/39/09/553503909.db2.gz SIKYDIVPQWYIPP-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299234966 553534603 /nfs/dbraw/zinc/53/46/03/553534603.db2.gz UFVAZKXSCXFKTL-AWEZNQCLSA-N 1 0 367.471 2.256 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000299234335 553534628 /nfs/dbraw/zinc/53/46/28/553534628.db2.gz JPHYNYDOIZRTIN-WFASDCNBSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000299385054 553556000 /nfs/dbraw/zinc/55/60/00/553556000.db2.gz YVIMCTPUPIMGLN-INIZCTEOSA-N 1 0 357.414 2.053 20 5 FEBDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299414796 553560032 /nfs/dbraw/zinc/56/00/32/553560032.db2.gz QIDLNQSHKSCGIY-UHFFFAOYSA-N 1 0 357.410 2.385 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000299446227 553564326 /nfs/dbraw/zinc/56/43/26/553564326.db2.gz YSLARNJSLWDUDI-GDBMZVCRSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000299476660 553569096 /nfs/dbraw/zinc/56/90/96/553569096.db2.gz ZBMUNBVBYWCCAT-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000299552661 553580080 /nfs/dbraw/zinc/58/00/80/553580080.db2.gz GEFUBDRGEXDAIG-GHMZBOCLSA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000299655022 553597539 /nfs/dbraw/zinc/59/75/39/553597539.db2.gz UGVFBAGMSNOCOH-AWEZNQCLSA-N 1 0 358.320 2.176 20 5 FEBDRO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000504414014 561657914 /nfs/dbraw/zinc/65/79/14/561657914.db2.gz AXDFATFPLPENQH-AWEZNQCLSA-N 1 0 363.458 2.176 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000301058045 553618114 /nfs/dbraw/zinc/61/81/14/553618114.db2.gz BCBJZIAKMGUSFB-GFCCVEGCSA-N 1 0 350.375 2.193 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277140 553638321 /nfs/dbraw/zinc/63/83/21/553638321.db2.gz ZEILLNJCAAPZDG-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO Cc1cc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1[N+](=O)[O-] ZINC000301410329 553649667 /nfs/dbraw/zinc/64/96/67/553649667.db2.gz ORMSYUGGPMFZKU-SFHVURJKSA-N 1 0 362.474 2.134 20 5 FEBDRO O=[N+]([O-])c1c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)nc2sccn21 ZINC000301747466 553676511 /nfs/dbraw/zinc/67/65/11/553676511.db2.gz QXZMHQQKKNFWSU-CYBMUJFWSA-N 1 0 365.459 2.385 20 5 FEBDRO C[NH+]1CCN(c2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)ccn2)CC1 ZINC000505059216 561665876 /nfs/dbraw/zinc/66/58/76/561665876.db2.gz ITPMLDSCDWVRJM-UHFFFAOYSA-N 1 0 366.381 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000302483472 553718578 /nfs/dbraw/zinc/71/85/78/553718578.db2.gz WYDHGKMADPWONN-IBGZPJMESA-N 1 0 356.426 2.371 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000324978237 553774428 /nfs/dbraw/zinc/77/44/28/553774428.db2.gz QIISRMHEVMWWKC-HUUCEWRRSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1C ZINC000325005827 553774454 /nfs/dbraw/zinc/77/44/54/553774454.db2.gz AOZGAQWFLWYSMY-CYBMUJFWSA-N 1 0 353.444 2.165 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000326570118 553781735 /nfs/dbraw/zinc/78/17/35/553781735.db2.gz VXFBPCSFPNQXOB-CHWSQXEVSA-N 1 0 357.407 2.029 20 5 FEBDRO Cc1nn(CCC(=O)NCCCCC[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000508101682 561751765 /nfs/dbraw/zinc/75/17/65/561751765.db2.gz MKZHICPVTOKTEI-UHFFFAOYSA-N 1 0 351.451 2.181 20 5 FEBDRO CS[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000330902698 554185713 /nfs/dbraw/zinc/18/57/13/554185713.db2.gz XVMYHMOMBTWPNC-NZVBXONLSA-N 1 0 355.435 2.341 20 5 FEBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1C1CC[NH+](C)CC1 ZINC000509006075 561781105 /nfs/dbraw/zinc/78/11/05/561781105.db2.gz ILTRPJPSKMWBFY-ZDUSSCGKSA-N 1 0 368.428 2.473 20 5 FEBDRO CC1(C)CCC[N@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000331294785 554242872 /nfs/dbraw/zinc/24/28/72/554242872.db2.gz RQBFYKONFAEHBB-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000331323767 554246989 /nfs/dbraw/zinc/24/69/89/554246989.db2.gz MPMLOSKBMIMAFF-CMPLNLGQSA-N 1 0 370.247 2.499 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736618 554318492 /nfs/dbraw/zinc/31/84/92/554318492.db2.gz UEVYCOICDGLMPM-DNVCBOLYSA-N 1 0 361.442 2.414 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000331962884 554353514 /nfs/dbraw/zinc/35/35/14/554353514.db2.gz VGHLLVUPVRDDKC-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO CNc1cc2c(nn1)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000609271169 554355007 /nfs/dbraw/zinc/35/50/07/554355007.db2.gz WPTHOWQOACORKX-UHFFFAOYSA-N 1 0 370.413 2.122 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332569881 554473647 /nfs/dbraw/zinc/47/36/47/554473647.db2.gz CTKVTTIDMUNNHL-NSHDSACASA-N 1 0 373.331 2.456 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000510713685 561844303 /nfs/dbraw/zinc/84/43/03/561844303.db2.gz BKBZYTZAALPXFT-KGLIPLIRSA-N 1 0 373.450 2.381 20 5 FEBDRO CC(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000611700694 554668128 /nfs/dbraw/zinc/66/81/28/554668128.db2.gz CGRLUQCCZNRPDK-QGZVFWFLSA-N 1 0 358.446 2.222 20 5 FEBDRO C[NH+](C)CCOc1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000611712133 554669811 /nfs/dbraw/zinc/66/98/11/554669811.db2.gz GOGHLBPCSOWFFT-UHFFFAOYSA-N 1 0 368.397 2.486 20 5 FEBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)n1C ZINC000350430492 554788309 /nfs/dbraw/zinc/78/83/09/554788309.db2.gz CTPRLJBYPDUGDI-OAHLLOKOSA-N 1 0 352.370 2.356 20 5 FEBDRO COc1ccc(C[C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408742 554874260 /nfs/dbraw/zinc/87/42/60/554874260.db2.gz YTJHHENMADNXIP-WMZOPIPTSA-N 1 0 374.441 2.116 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000361026797 554901011 /nfs/dbraw/zinc/90/10/11/554901011.db2.gz CDVULCZZYZFKAG-KKUMJFAQSA-N 1 0 365.455 2.008 20 5 FEBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000361105898 554904587 /nfs/dbraw/zinc/90/45/87/554904587.db2.gz SXFLIOKAGYWROQ-NWANDNLSSA-N 1 0 360.414 2.087 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361813393 554936076 /nfs/dbraw/zinc/93/60/76/554936076.db2.gz MLZCYNARBIPZAC-GHMZBOCLSA-N 1 0 364.358 2.328 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177394 554954288 /nfs/dbraw/zinc/95/42/88/554954288.db2.gz JVLPVTQMBCZFRR-UKRRQHHQSA-N 1 0 361.377 2.195 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118389 555034578 /nfs/dbraw/zinc/03/45/78/555034578.db2.gz XHYCJZPRJIRTFP-VZJVUDMVSA-N 1 0 351.353 2.429 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363558482 555136435 /nfs/dbraw/zinc/13/64/35/555136435.db2.gz SAKFQFUUDMHFTR-BPUTZDHNSA-N 1 0 365.455 2.008 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1c1ccc(F)cc1 ZINC000363745792 555177597 /nfs/dbraw/zinc/17/75/97/555177597.db2.gz PVUASLGEKNXKJV-CABCVRRESA-N 1 0 369.356 2.177 20 5 FEBDRO O=C(C[N@@H+]1CC[C@H](Cc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000364042490 555238894 /nfs/dbraw/zinc/23/88/94/555238894.db2.gz FDXCCEGOHFGMDR-MRXNPFEDSA-N 1 0 366.421 2.444 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N)cn2)CC1 ZINC000364383859 555303352 /nfs/dbraw/zinc/30/33/52/555303352.db2.gz JAGSSOJEUBWJLT-UHFFFAOYSA-N 1 0 371.397 2.297 20 5 FEBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458171 561905857 /nfs/dbraw/zinc/90/58/57/561905857.db2.gz YSFXABBFJOVFRO-GOEBONIOSA-N 1 0 361.442 2.499 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364632364 555358047 /nfs/dbraw/zinc/35/80/47/555358047.db2.gz QJBJBONVONHYJM-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000364953829 555448501 /nfs/dbraw/zinc/44/85/01/555448501.db2.gz UNHZFYSWWHAHKG-VQFNDLOPSA-N 1 0 352.394 2.037 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365142115 555494000 /nfs/dbraw/zinc/49/40/00/555494000.db2.gz PBDZYNDCJYVLOV-OAHLLOKOSA-N 1 0 361.446 2.086 20 5 FEBDRO Cn1nccc1[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163020 555498983 /nfs/dbraw/zinc/49/89/83/555498983.db2.gz NBLOSKRXFXPBPB-KSSFIOAISA-N 1 0 369.425 2.313 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CC3CCC4(CC3)OCCO4)C2)c1 ZINC000365170581 555500981 /nfs/dbraw/zinc/50/09/81/555500981.db2.gz LJESDQBNDKFSAY-OAHLLOKOSA-N 1 0 350.419 2.362 20 5 FEBDRO NC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000365227224 555516080 /nfs/dbraw/zinc/51/60/80/555516080.db2.gz YMVZTWWKIYNEAB-MAUKXSAKSA-N 1 0 355.394 2.079 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365332112 555545245 /nfs/dbraw/zinc/54/52/45/555545245.db2.gz RBCUBZKQGAVZBM-CKNFYHOISA-N 1 0 372.469 2.240 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365776819 555665583 /nfs/dbraw/zinc/66/55/83/555665583.db2.gz DGCAQHISYMWSSM-HIFRSBDPSA-N 1 0 360.345 2.010 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000366202324 555780466 /nfs/dbraw/zinc/78/04/66/555780466.db2.gz OBAOBGBGBMYUMG-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO CC[C@@H]1CN(CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366567401 555877933 /nfs/dbraw/zinc/87/79/33/555877933.db2.gz CQUUFOUFSDCCMG-KDOFPFPSSA-N 1 0 366.414 2.252 20 5 FEBDRO O=C([C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657698 555901131 /nfs/dbraw/zinc/90/11/31/555901131.db2.gz SEJQKAXKGUHJBY-FUHWJXTLSA-N 1 0 361.442 2.353 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208770 561963716 /nfs/dbraw/zinc/96/37/16/561963716.db2.gz OODOPUHLUYTODG-LBPRGKRZSA-N 1 0 373.356 2.037 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c1 ZINC000366941484 555977551 /nfs/dbraw/zinc/97/75/51/555977551.db2.gz RQCRHUFMZIQLRV-JGPRNRPPSA-N 1 0 359.835 2.199 20 5 FEBDRO Cc1n[nH]cc1C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000366942623 555978072 /nfs/dbraw/zinc/97/80/72/555978072.db2.gz FSMIRTSZWKEJLU-OAHLLOKOSA-N 1 0 360.414 2.246 20 5 FEBDRO Cc1cccc(C[NH+]2CCC(NC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC000367390240 556036153 /nfs/dbraw/zinc/03/61/53/556036153.db2.gz NBBBTOXZRUDBHU-UHFFFAOYSA-N 1 0 357.414 2.031 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000367426437 556045308 /nfs/dbraw/zinc/04/53/08/556045308.db2.gz OPRZWJNYDGCEOL-AWEZNQCLSA-N 1 0 354.838 2.067 20 5 FEBDRO C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367527397 556074725 /nfs/dbraw/zinc/07/47/25/556074725.db2.gz NWAKHOXZWGJJNG-TZMCWYRMSA-N 1 0 353.444 2.202 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000514789431 561979724 /nfs/dbraw/zinc/97/97/24/561979724.db2.gz JBZJPULKDILOMP-CABCVRRESA-N 1 0 369.425 2.242 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000367593827 556092483 /nfs/dbraw/zinc/09/24/83/556092483.db2.gz MTPRGYRWONIDON-ZWKOTPCHSA-N 1 0 369.421 2.408 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367716825 556121996 /nfs/dbraw/zinc/12/19/96/556121996.db2.gz QKECDSSCXABMNU-INIZCTEOSA-N 1 0 360.458 2.261 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000368446732 556311821 /nfs/dbraw/zinc/31/18/21/556311821.db2.gz MFHDPCPKCTUYHG-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO CCOC(=O)c1cc(N2CCC[N@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368717859 556396593 /nfs/dbraw/zinc/39/65/93/556396593.db2.gz CJRFPXDYKBAKOT-UHFFFAOYSA-N 1 0 365.430 2.055 20 5 FEBDRO CC[C@H]1CCCCN1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467796 562011681 /nfs/dbraw/zinc/01/16/81/562011681.db2.gz OXGDXPYGAJGNAZ-HOTGVXAUSA-N 1 0 351.447 2.189 20 5 FEBDRO CC1CC[NH+](CC2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000368785312 556412751 /nfs/dbraw/zinc/41/27/51/556412751.db2.gz ZRQJBTSAPXDYQG-UHFFFAOYSA-N 1 0 363.462 2.152 20 5 FEBDRO CN(C(=O)COc1ccccc1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368929203 556451629 /nfs/dbraw/zinc/45/16/29/556451629.db2.gz GLXCVBXDGDSAPL-UHFFFAOYSA-N 1 0 370.409 2.496 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000369004660 556473442 /nfs/dbraw/zinc/47/34/42/556473442.db2.gz QWQSLCSAQANGGK-IUODEOHRSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000369079920 556499065 /nfs/dbraw/zinc/49/90/65/556499065.db2.gz ZBUSVTFQDKQKPM-CZUORRHYSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1[N+](=O)[O-] ZINC000369079921 556499409 /nfs/dbraw/zinc/49/94/09/556499409.db2.gz ZBUSVTFQDKQKPM-XJKSGUPXSA-N 1 0 353.444 2.104 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000369079169 556499503 /nfs/dbraw/zinc/49/95/03/556499503.db2.gz RTWLYGVYNYMSLD-HOTGVXAUSA-N 1 0 353.444 2.104 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000369198648 556533363 /nfs/dbraw/zinc/53/33/63/556533363.db2.gz YCLRVGPSGFGZSU-BLLLJJGKSA-N 1 0 367.833 2.479 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274701 556560127 /nfs/dbraw/zinc/56/01/27/556560127.db2.gz RJUCBKMPDJSCMV-CYBMUJFWSA-N 1 0 366.849 2.147 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000369349105 556576460 /nfs/dbraw/zinc/57/64/60/556576460.db2.gz XBCJOMLHYAKCGJ-ZDUSSCGKSA-N 1 0 354.838 2.067 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nn21 ZINC000369530773 556622494 /nfs/dbraw/zinc/62/24/94/556622494.db2.gz IKJCNWXYNLKPDO-IYBDPMFKSA-N 1 0 364.409 2.206 20 5 FEBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369669369 556664479 /nfs/dbraw/zinc/66/44/79/556664479.db2.gz ZOXUWLPXDLPHMH-JQHSSLGASA-N 1 0 358.442 2.263 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721391 556677874 /nfs/dbraw/zinc/67/78/74/556677874.db2.gz DQPXCONIIGYFBU-KBMXLJTQSA-N 1 0 373.457 2.450 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccccc2F)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000369732644 556680661 /nfs/dbraw/zinc/68/06/61/556680661.db2.gz PVOJNTFXQKITDD-UHFFFAOYSA-N 1 0 374.372 2.229 20 5 FEBDRO Cn1cc(C[C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370013397 556757725 /nfs/dbraw/zinc/75/77/25/556757725.db2.gz VWYKGHVWVLAOAM-CQSZACIVSA-N 1 0 357.414 2.222 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCC[C@@H]2CCCC[C@H]2O)c1 ZINC000516570677 562048685 /nfs/dbraw/zinc/04/86/85/562048685.db2.gz WIOPMXOIKZTTCE-YXJHDRRASA-N 1 0 352.431 2.255 20 5 FEBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000516617688 562050753 /nfs/dbraw/zinc/05/07/53/562050753.db2.gz YDWUATRAYNHZDO-CQSZACIVSA-N 1 0 368.459 2.065 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(OC)n1 ZINC000516516376 562045728 /nfs/dbraw/zinc/04/57/28/562045728.db2.gz BYXGZDMNUJWVIU-KGLIPLIRSA-N 1 0 361.402 2.477 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1SC ZINC000370159311 556797459 /nfs/dbraw/zinc/79/74/59/556797459.db2.gz HZKUDTXKFVTTPJ-ZYHUDNBSSA-N 1 0 351.428 2.149 20 5 FEBDRO COC(=O)[C@H]1C[C@@H](OC)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349428 556847273 /nfs/dbraw/zinc/84/72/73/556847273.db2.gz QIWJGXBCEJUAGO-JKSUJKDBSA-N 1 0 352.387 2.016 20 5 FEBDRO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4C)C[C@@H]3C2)no1 ZINC000370744680 556955888 /nfs/dbraw/zinc/95/58/88/556955888.db2.gz IGPNZMBZZHUOPA-IYBDPMFKSA-N 1 0 371.441 2.412 20 5 FEBDRO O=C(NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000370760955 556960517 /nfs/dbraw/zinc/96/05/17/556960517.db2.gz OKNXXYKMKSNDLP-WBMJQRKESA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000370908245 557011056 /nfs/dbraw/zinc/01/10/56/557011056.db2.gz AOXKPKCGJLQMDQ-RDTXWAMCSA-N 1 0 371.441 2.450 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371219099 557110652 /nfs/dbraw/zinc/11/06/52/557110652.db2.gz JVCCXGCNNBQCOD-CRAIPNDOSA-N 1 0 360.458 2.001 20 5 FEBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371352425 557157219 /nfs/dbraw/zinc/15/72/19/557157219.db2.gz XJSZCBDIEBBTMS-IUODEOHRSA-N 1 0 353.854 2.105 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371356315 557158629 /nfs/dbraw/zinc/15/86/29/557158629.db2.gz WWTBTXYNVHZPHC-WENXUGBFSA-N 1 0 372.469 2.092 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000371361648 557160786 /nfs/dbraw/zinc/16/07/86/557160786.db2.gz RQWIMFDRTCVTTA-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000372071044 557372239 /nfs/dbraw/zinc/37/22/39/557372239.db2.gz BTRBYUPOLLBVKE-KRWDZBQOSA-N 1 0 363.458 2.344 20 5 FEBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000519025912 562123543 /nfs/dbraw/zinc/12/35/43/562123543.db2.gz TXTRTLRADCIIFM-LLVKDONJSA-N 1 0 373.356 2.435 20 5 FEBDRO COc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000519025913 562123587 /nfs/dbraw/zinc/12/35/87/562123587.db2.gz TXTRTLRADCIIFM-NSHDSACASA-N 1 0 373.356 2.435 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372695705 557540275 /nfs/dbraw/zinc/54/02/75/557540275.db2.gz SGJDVMOGJUOARR-SJLPKXTDSA-N 1 0 361.442 2.145 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000373182468 557645961 /nfs/dbraw/zinc/64/59/61/557645961.db2.gz JEEQXACBINHRAW-MRXNPFEDSA-N 1 0 357.366 2.419 20 5 FEBDRO COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582358 557722539 /nfs/dbraw/zinc/72/25/39/557722539.db2.gz GZLKWIZPNNBGAT-AWEZNQCLSA-N 1 0 374.397 2.294 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000373723486 557745472 /nfs/dbraw/zinc/74/54/72/557745472.db2.gz JVUAZLZWRHZAED-CVEARBPZSA-N 1 0 353.444 2.049 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000373762552 557753785 /nfs/dbraw/zinc/75/37/85/557753785.db2.gz XAYHHVBONZEGDH-RDJZCZTQSA-N 1 0 360.414 2.425 20 5 FEBDRO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cn1 ZINC000373789326 557759799 /nfs/dbraw/zinc/75/97/99/557759799.db2.gz WLFUYKAMFVJVFS-QGZVFWFLSA-N 1 0 370.409 2.011 20 5 FEBDRO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cn1 ZINC000373789325 557759815 /nfs/dbraw/zinc/75/98/15/557759815.db2.gz WLFUYKAMFVJVFS-KRWDZBQOSA-N 1 0 370.409 2.011 20 5 FEBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373809057 557764023 /nfs/dbraw/zinc/76/40/23/557764023.db2.gz HQOHMUWKKAMYSF-RDTXWAMCSA-N 1 0 363.414 2.193 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000373894482 557781780 /nfs/dbraw/zinc/78/17/80/557781780.db2.gz SCZFALOJINYKLY-YGRLFVJLSA-N 1 0 362.411 2.180 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](c2ccccc2)C1 ZINC000374315862 557864123 /nfs/dbraw/zinc/86/41/23/557864123.db2.gz ZTSHPEASARICOT-RDJZCZTQSA-N 1 0 373.384 2.327 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374398714 557878874 /nfs/dbraw/zinc/87/88/74/557878874.db2.gz LBCQKIYZIMQJBS-IHRRRGAJSA-N 1 0 363.414 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](OC)CC1 ZINC000374659533 557913133 /nfs/dbraw/zinc/91/31/33/557913133.db2.gz DAPWAHNKEMUOEP-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000374889522 557946453 /nfs/dbraw/zinc/94/64/53/557946453.db2.gz DEDYLYLMZDNOQL-AWEZNQCLSA-N 1 0 362.386 2.416 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374922505 557951830 /nfs/dbraw/zinc/95/18/30/557951830.db2.gz ASYJPAZYFSNUPG-MAUKXSAKSA-N 1 0 358.394 2.274 20 5 FEBDRO CCc1nc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000521227725 562172344 /nfs/dbraw/zinc/17/23/44/562172344.db2.gz ZLBZNDUYSCIXAW-CQSZACIVSA-N 1 0 351.428 2.186 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1SC ZINC000375066557 557972897 /nfs/dbraw/zinc/97/28/97/557972897.db2.gz RWPQNRNQCBVEQR-SMDDNHRTSA-N 1 0 365.455 2.492 20 5 FEBDRO C[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375242003 557996985 /nfs/dbraw/zinc/99/69/85/557996985.db2.gz MKTHLWKTPRTLCV-LSDHHAIUSA-N 1 0 350.415 2.226 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375277889 558003048 /nfs/dbraw/zinc/00/30/48/558003048.db2.gz KBFFHEUWWPOZKN-GOSISDBHSA-N 1 0 363.414 2.435 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000375403400 558021491 /nfs/dbraw/zinc/02/14/91/558021491.db2.gz MLZPBEBVGBGOJO-INIZCTEOSA-N 1 0 369.425 2.408 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CC[NH+]([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000375720707 558072535 /nfs/dbraw/zinc/07/25/35/558072535.db2.gz SALXMBXBADRDSC-AWEZNQCLSA-N 1 0 352.416 2.126 20 5 FEBDRO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000375741205 558075169 /nfs/dbraw/zinc/07/51/69/558075169.db2.gz CVTPHGXJRKZZPD-ALOPSCKCSA-N 1 0 360.458 2.076 20 5 FEBDRO Cc1nc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375762157 558078726 /nfs/dbraw/zinc/07/87/26/558078726.db2.gz HNXFWGCBOXFRGD-ZDUSSCGKSA-N 1 0 359.386 2.494 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000521597321 562179834 /nfs/dbraw/zinc/17/98/34/562179834.db2.gz XXMBNDGNFMHLLB-HKUYNNGSSA-N 1 0 359.426 2.227 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000376024021 558115700 /nfs/dbraw/zinc/11/57/00/558115700.db2.gz AIYHNBPNANGDAH-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376212202 558142196 /nfs/dbraw/zinc/14/21/96/558142196.db2.gz SGJPCLDEMMKBJQ-YJBOKZPZSA-N 1 0 362.474 2.203 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000376569794 558191990 /nfs/dbraw/zinc/19/19/90/558191990.db2.gz PXSXQGCPZYQMOT-RDTXWAMCSA-N 1 0 369.425 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000376754356 558217132 /nfs/dbraw/zinc/21/71/32/558217132.db2.gz GWGPLCAPKFMKEE-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO CN1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376827321 558226462 /nfs/dbraw/zinc/22/64/62/558226462.db2.gz HUPCXXBULSDLAX-WMLDXEAASA-N 1 0 358.373 2.491 20 5 FEBDRO C[C@@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000521861789 562185134 /nfs/dbraw/zinc/18/51/34/562185134.db2.gz OTVDVRMNXQVRDF-OAHLLOKOSA-N 1 0 370.247 2.406 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000376971118 558246387 /nfs/dbraw/zinc/24/63/87/558246387.db2.gz FVIBRDMQGJPABW-LRDDRELGSA-N 1 0 350.394 2.089 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000376971120 558246476 /nfs/dbraw/zinc/24/64/76/558246476.db2.gz FVIBRDMQGJPABW-WBMJQRKESA-N 1 0 350.394 2.089 20 5 FEBDRO CC(=O)NCC[C@@H]1CCCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000521988376 562188189 /nfs/dbraw/zinc/18/81/89/562188189.db2.gz JCSUETVFTKNLHB-HNNXBMFYSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000377168188 558280978 /nfs/dbraw/zinc/28/09/78/558280978.db2.gz JTJCGVYESSRDBF-COXVUDFISA-N 1 0 374.441 2.350 20 5 FEBDRO Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC(=O)N1C ZINC000377369590 558327377 /nfs/dbraw/zinc/32/73/77/558327377.db2.gz QVORCBXBWWOMDE-HNAYVOBHSA-N 1 0 371.441 2.254 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377481874 558348190 /nfs/dbraw/zinc/34/81/90/558348190.db2.gz PMBJJAAMMMWKCR-NWANDNLSSA-N 1 0 365.455 2.055 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000377874311 558439392 /nfs/dbraw/zinc/43/93/92/558439392.db2.gz MXBRXBHGMGSCNY-GXTWGEPZSA-N 1 0 368.821 2.311 20 5 FEBDRO COc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304027 558524644 /nfs/dbraw/zinc/52/46/44/558524644.db2.gz FSLLKHOCRXAVSU-HZPDHXFCSA-N 1 0 355.394 2.431 20 5 FEBDRO COc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304028 558524838 /nfs/dbraw/zinc/52/48/38/558524838.db2.gz FSLLKHOCRXAVSU-JKSUJKDBSA-N 1 0 355.394 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC12CC[NH+](C)CC2 ZINC000378334049 558532037 /nfs/dbraw/zinc/53/20/37/558532037.db2.gz NOFBNHPKMJHYIE-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369643 558541862 /nfs/dbraw/zinc/54/18/62/558541862.db2.gz YWKGERUABXYNNR-HNNXBMFYSA-N 1 0 360.458 2.144 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000378461837 558562632 /nfs/dbraw/zinc/56/26/32/558562632.db2.gz KVJWIMONHGTUPY-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000523660987 562217007 /nfs/dbraw/zinc/21/70/07/562217007.db2.gz ONAFKNSGDNAWDX-UHFFFAOYSA-N 1 0 361.398 2.272 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000523905358 562221451 /nfs/dbraw/zinc/22/14/51/562221451.db2.gz OVKHKXFWDUUZJR-CQSZACIVSA-N 1 0 350.419 2.133 20 5 FEBDRO Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408223146 558658365 /nfs/dbraw/zinc/65/83/65/558658365.db2.gz CZFMHZWNNIJWTG-UONOGXRCSA-N 1 0 356.220 2.185 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000409720258 558716722 /nfs/dbraw/zinc/71/67/22/558716722.db2.gz HXLBZOZWFCNSBR-ZDUSSCGKSA-N 1 0 355.822 2.071 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000524780775 562234571 /nfs/dbraw/zinc/23/45/71/562234571.db2.gz NAAUPNAYQNUFEF-HIFRSBDPSA-N 1 0 350.419 2.098 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000524871856 562236444 /nfs/dbraw/zinc/23/64/44/562236444.db2.gz MQJKAPPVFMKFMI-GXTWGEPZSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105925 562240670 /nfs/dbraw/zinc/24/06/70/562240670.db2.gz BYPVXSXDDJIIMZ-NXEZZACHSA-N 1 0 373.356 2.417 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000411127303 558841533 /nfs/dbraw/zinc/84/15/33/558841533.db2.gz QPHHZKQWLQNVKZ-UHFFFAOYSA-N 1 0 364.446 2.385 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000525385598 562247076 /nfs/dbraw/zinc/24/70/76/562247076.db2.gz CJSBUOTVBNKJHG-ZIAGYGMSSA-N 1 0 355.460 2.397 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000411626473 558931617 /nfs/dbraw/zinc/93/16/17/558931617.db2.gz WTMYHNAUXKJHMH-HEHGZKQESA-N 1 0 365.430 2.413 20 5 FEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776841 558960714 /nfs/dbraw/zinc/96/07/14/558960714.db2.gz YFAITWJXSRKYFA-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411845267 558975117 /nfs/dbraw/zinc/97/51/17/558975117.db2.gz DVWQFUSZNDHDNB-UHFFFAOYSA-N 1 0 373.413 2.114 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1F ZINC000412133903 559016104 /nfs/dbraw/zinc/01/61/04/559016104.db2.gz ZGLKDYLSPQHUGA-STQMWFEESA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000412186459 559019030 /nfs/dbraw/zinc/01/90/30/559019030.db2.gz SCFFZJLZGGYJEP-AAEUAGOBSA-N 1 0 353.394 2.130 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CC2([NH+](C)C)CCC2)c1F ZINC000412279909 559024561 /nfs/dbraw/zinc/02/45/61/559024561.db2.gz QXLHWTRAOOGGHT-UHFFFAOYSA-N 1 0 353.394 2.228 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1F ZINC000412343917 559029259 /nfs/dbraw/zinc/02/92/59/559029259.db2.gz WPFUQEVICJDNBF-STQMWFEESA-N 1 0 365.405 2.370 20 5 FEBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2ncc([N+](=O)[O-])cc2F)c1 ZINC000413121581 559080321 /nfs/dbraw/zinc/08/03/21/559080321.db2.gz WBWTUNXZNZGXGB-UHFFFAOYSA-N 1 0 361.377 2.032 20 5 FEBDRO CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413179161 559086029 /nfs/dbraw/zinc/08/60/29/559086029.db2.gz WNSADXUXXYEEPG-UHFFFAOYSA-N 1 0 362.337 2.272 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1F ZINC000413630161 559121278 /nfs/dbraw/zinc/12/12/78/559121278.db2.gz KIRGPNWCEHBMDH-JSGCOSHPSA-N 1 0 365.405 2.228 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413824604 559132832 /nfs/dbraw/zinc/13/28/32/559132832.db2.gz WRTGAZSPZXGPDQ-DLBZAZTESA-N 1 0 363.458 2.127 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000414195532 559152515 /nfs/dbraw/zinc/15/25/15/559152515.db2.gz WTTOMIUEYKLDCA-GDLVEWKHSA-N 1 0 351.403 2.334 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000414652034 559177246 /nfs/dbraw/zinc/17/72/46/559177246.db2.gz CXAAJWQTXBYJAB-UHFFFAOYSA-N 1 0 361.446 2.241 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000527183088 562279362 /nfs/dbraw/zinc/27/93/62/562279362.db2.gz UPBDQJIKPXJZFB-SFHVURJKSA-N 1 0 359.357 2.309 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000415528008 559246669 /nfs/dbraw/zinc/24/66/69/559246669.db2.gz VMEKOYBBQNNCRM-OAHLLOKOSA-N 1 0 374.441 2.141 20 5 FEBDRO O=C(NCC1=CC[NH2+]CC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415693378 559262470 /nfs/dbraw/zinc/26/24/70/559262470.db2.gz HWGGYYMFDPDBOH-UHFFFAOYSA-N 1 0 355.192 2.399 20 5 FEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)cc2C1 ZINC000415963557 559285283 /nfs/dbraw/zinc/28/52/83/559285283.db2.gz RKYNBLUYRQPRTH-HNNXBMFYSA-N 1 0 367.409 2.396 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417175502 559351479 /nfs/dbraw/zinc/35/14/79/559351479.db2.gz IZGCAATULOSTNE-UHFFFAOYSA-N 1 0 356.382 2.206 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712197 559373656 /nfs/dbraw/zinc/37/36/56/559373656.db2.gz FVONAJZCPIMTSH-CABCVRRESA-N 1 0 363.462 2.474 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000417724885 559374059 /nfs/dbraw/zinc/37/40/59/559374059.db2.gz ZPJOCCSKHMNXBW-HUUCEWRRSA-N 1 0 361.446 2.099 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417982520 559384917 /nfs/dbraw/zinc/38/49/17/559384917.db2.gz DUPIMNHICWNNFH-CHWSQXEVSA-N 1 0 352.822 2.042 20 5 FEBDRO C[NH2+]C[C@H]1CCCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417982466 559384983 /nfs/dbraw/zinc/38/49/83/559384983.db2.gz DTLGTIANEGFYGR-GFCCVEGCSA-N 1 0 354.838 2.432 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417994391 559385691 /nfs/dbraw/zinc/38/56/91/559385691.db2.gz QWFQIIXQMYPDRD-OLZOCXBDSA-N 1 0 352.822 2.042 20 5 FEBDRO O=C(NCCC1=CC[NH2+]CC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418605974 559407598 /nfs/dbraw/zinc/40/75/98/559407598.db2.gz UYFPXYGOSZDQDV-UHFFFAOYSA-N 1 0 374.441 2.457 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418751676 559414005 /nfs/dbraw/zinc/41/40/05/559414005.db2.gz RPVADBYDTPRSDK-DZGCQCFKSA-N 1 0 368.384 2.481 20 5 FEBDRO CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419383087 559440378 /nfs/dbraw/zinc/44/03/78/559440378.db2.gz ZGSVKPOCKNZLSB-OAHLLOKOSA-N 1 0 351.447 2.141 20 5 FEBDRO [NH3+][C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420394948 559485213 /nfs/dbraw/zinc/48/52/13/559485213.db2.gz SLRSXUPNJNZSSE-JKSUJKDBSA-N 1 0 372.400 2.489 20 5 FEBDRO COC1([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000421037558 559521290 /nfs/dbraw/zinc/52/12/90/559521290.db2.gz RRIYABVYGYEWBM-CQSZACIVSA-N 1 0 365.430 2.406 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCc4nnnn4CC3)cs2)c1 ZINC000421399055 559541120 /nfs/dbraw/zinc/54/11/20/559541120.db2.gz PJNYYGDNAVRFJS-GFCCVEGCSA-N 1 0 371.426 2.200 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000423568673 559632529 /nfs/dbraw/zinc/63/25/29/559632529.db2.gz FAKUWTJISCQSQG-CYBMUJFWSA-N 1 0 361.427 2.164 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1 ZINC000423990259 559649378 /nfs/dbraw/zinc/64/93/78/559649378.db2.gz CGGWVPNAQIECBT-QGZVFWFLSA-N 1 0 369.377 2.168 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000423999791 559650062 /nfs/dbraw/zinc/65/00/62/559650062.db2.gz BFZRJNSGBOQQPW-HNNXBMFYSA-N 1 0 372.429 2.048 20 5 FEBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000423999430 559650120 /nfs/dbraw/zinc/65/01/20/559650120.db2.gz KGUKKCLZJDVLKM-GOEBONIOSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000424009349 559650684 /nfs/dbraw/zinc/65/06/84/559650684.db2.gz XXMMIGZGZZQUCJ-HOTGVXAUSA-N 1 0 351.378 2.092 20 5 FEBDRO COc1cccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424014480 559651049 /nfs/dbraw/zinc/65/10/49/559651049.db2.gz VBNCSAJZYXOZMY-LSDHHAIUSA-N 1 0 359.357 2.309 20 5 FEBDRO CN(CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000424037971 559652159 /nfs/dbraw/zinc/65/21/59/559652159.db2.gz KNYVCEKQCFUFEO-GOEBONIOSA-N 1 0 372.400 2.123 20 5 FEBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C[NH3+] ZINC000424070772 559653737 /nfs/dbraw/zinc/65/37/37/559653737.db2.gz JWCDXZFCPYZKND-RDBSUJKOSA-N 1 0 357.414 2.226 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000425279526 559694734 /nfs/dbraw/zinc/69/47/34/559694734.db2.gz LQHVEWOKECWALK-UHFFFAOYSA-N 1 0 365.430 2.237 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425430185 559702080 /nfs/dbraw/zinc/70/20/80/559702080.db2.gz DMXMRRJYNUZCKL-VXGBXAGGSA-N 1 0 372.263 2.244 20 5 FEBDRO O=C(CN1CCC[C@@H](n2ccnn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000425505387 559706543 /nfs/dbraw/zinc/70/65/43/559706543.db2.gz YNDPEQDVIIQSOK-GFCCVEGCSA-N 1 0 364.793 2.115 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000427490927 559756608 /nfs/dbraw/zinc/75/66/08/559756608.db2.gz QGPQCLQFZCKOQL-GFCCVEGCSA-N 1 0 355.460 2.138 20 5 FEBDRO Nc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc(F)cc1[N+](=O)[O-] ZINC000428527965 559777345 /nfs/dbraw/zinc/77/73/45/559777345.db2.gz ZAMDVXMKVQWXLX-AWEZNQCLSA-N 1 0 374.372 2.135 20 5 FEBDRO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000429389406 559797439 /nfs/dbraw/zinc/79/74/39/559797439.db2.gz YFDFVIQUQBKWMM-HNNXBMFYSA-N 1 0 372.469 2.290 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000429579432 559802050 /nfs/dbraw/zinc/80/20/50/559802050.db2.gz WWXWYSIKGCHXJK-IINYFYTJSA-N 1 0 360.418 2.486 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000429925786 559808885 /nfs/dbraw/zinc/80/88/85/559808885.db2.gz NSLKYAPMKVMOFP-GASCZTMLSA-N 1 0 363.458 2.488 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000431028208 559832752 /nfs/dbraw/zinc/83/27/52/559832752.db2.gz NYASCQQDKSLMOI-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cc3C(N)=O)cccc21 ZINC000432942814 559868283 /nfs/dbraw/zinc/86/82/83/559868283.db2.gz CVPHRMQMCRMXOS-AWEZNQCLSA-N 1 0 357.370 2.218 20 5 FEBDRO COc1cc(C[NH2+]CCC2CC(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000433030712 559870018 /nfs/dbraw/zinc/87/00/18/559870018.db2.gz WVVZKVBBVZBBKS-UHFFFAOYSA-N 1 0 360.357 2.498 20 5 FEBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000434701790 559906598 /nfs/dbraw/zinc/90/65/98/559906598.db2.gz HRSCLCLYYIMKHZ-SKDRFNHKSA-N 1 0 361.320 2.406 20 5 FEBDRO COc1cc(CN2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435369298 559921461 /nfs/dbraw/zinc/92/14/61/559921461.db2.gz DGDSYYAPJBTOCU-UHFFFAOYSA-N 1 0 363.336 2.468 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000435378336 559921749 /nfs/dbraw/zinc/92/17/49/559921749.db2.gz DBEHKXWBTUJABV-NSHDSACASA-N 1 0 359.373 2.289 20 5 FEBDRO COc1cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435380624 559921857 /nfs/dbraw/zinc/92/18/57/559921857.db2.gz SAJGVYOASYYPTR-GHMZBOCLSA-N 1 0 359.373 2.416 20 5 FEBDRO COc1cc(CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384645 559922053 /nfs/dbraw/zinc/92/20/53/559922053.db2.gz NHBHKXKLIBJRDT-SNVBAGLBSA-N 1 0 363.336 2.325 20 5 FEBDRO COc1cc(S(=O)(=O)NCc2ccc([C@H](C)[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000440425543 560010872 /nfs/dbraw/zinc/01/08/72/560010872.db2.gz NEJNQSGELPYFFO-NSHDSACASA-N 1 0 365.411 2.102 20 5 FEBDRO CCOC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000441248916 560027051 /nfs/dbraw/zinc/02/70/51/560027051.db2.gz WUOAPVCWLBYTGH-CYBMUJFWSA-N 1 0 352.387 2.257 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C(=O)NCC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000441365155 560029954 /nfs/dbraw/zinc/02/99/54/560029954.db2.gz PATGSUBOFUURIF-PIGZYNQJSA-N 1 0 359.382 2.478 20 5 FEBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442772306 560056771 /nfs/dbraw/zinc/05/67/71/560056771.db2.gz VFTAGEFRKNPNBI-FUNVUKJBSA-N 1 0 352.822 2.402 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000443765911 560092060 /nfs/dbraw/zinc/09/20/60/560092060.db2.gz TZYLUFWWPMNYPF-ZFWWWQNUSA-N 1 0 355.460 2.229 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000444936572 560125023 /nfs/dbraw/zinc/12/50/23/560125023.db2.gz LTAZEUVSOGHIJW-CHWSQXEVSA-N 1 0 366.418 2.224 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000445952119 560137269 /nfs/dbraw/zinc/13/72/69/560137269.db2.gz HXBMNXHTBPBYRI-GOSISDBHSA-N 1 0 363.458 2.487 20 5 FEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000447078669 560156263 /nfs/dbraw/zinc/15/62/63/560156263.db2.gz UYIBHQIRYAZMST-OPOMHPNASA-N 1 0 364.442 2.344 20 5 FEBDRO O=C1NCCc2ccc(C[NH2+][C@H]3CCCC[C@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593580 560164978 /nfs/dbraw/zinc/16/49/78/560164978.db2.gz SZOHVNGPKIBCIP-DLBZAZTESA-N 1 0 369.425 2.351 20 5 FEBDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)CCn3cc([N+](=O)[O-])cn3)cccc21 ZINC000447723142 560167947 /nfs/dbraw/zinc/16/79/47/560167947.db2.gz NHAKTAKLAXFUQP-OAHLLOKOSA-N 1 0 359.386 2.205 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000447807445 560169617 /nfs/dbraw/zinc/16/96/17/560169617.db2.gz ROBVXLRIEMPJGV-DLBZAZTESA-N 1 0 360.458 2.466 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447812718 560169715 /nfs/dbraw/zinc/16/97/15/560169715.db2.gz SIXWYJHMPVVZMP-OAHLLOKOSA-N 1 0 370.475 2.035 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000449156864 560218456 /nfs/dbraw/zinc/21/84/56/560218456.db2.gz TWASIULJGYGGCV-CJNGLKHVSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000449170268 560219102 /nfs/dbraw/zinc/21/91/02/560219102.db2.gz GAQUVOMLTUGRIO-ZFWWWQNUSA-N 1 0 357.414 2.045 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000449323331 560225268 /nfs/dbraw/zinc/22/52/68/560225268.db2.gz UKHDPLUFKPCJIF-CCNLRDMRSA-N 1 0 374.485 2.199 20 5 FEBDRO CC[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)O ZINC000449533681 560232994 /nfs/dbraw/zinc/23/29/94/560232994.db2.gz BMRVDOBYBPWWFU-UFBFGSQYSA-N 1 0 364.183 2.448 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000449730418 560238368 /nfs/dbraw/zinc/23/83/68/560238368.db2.gz QUNROKFMBLDBIR-SECBINFHSA-N 1 0 370.125 2.367 20 5 FEBDRO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449786271 560240026 /nfs/dbraw/zinc/24/00/26/560240026.db2.gz MKRILKCIZGFRTC-OAHLLOKOSA-N 1 0 365.430 2.061 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450316856 560258312 /nfs/dbraw/zinc/25/83/12/560258312.db2.gz ICRRARPMOMEODB-ZDUSSCGKSA-N 1 0 361.471 2.766 20 5 FEBDRO CC[C@H](O)C[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450342235 560259199 /nfs/dbraw/zinc/25/91/99/560259199.db2.gz RAGJLKQUCJXEHD-ZDUSSCGKSA-N 1 0 360.414 2.045 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450598805 560267484 /nfs/dbraw/zinc/26/74/84/560267484.db2.gz RJGDTDSRQAEVJI-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000450747913 560272049 /nfs/dbraw/zinc/27/20/49/560272049.db2.gz RDDYIBLRFRPMGN-QGZVFWFLSA-N 1 0 360.458 2.365 20 5 FEBDRO COc1cc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1[N+](=O)[O-] ZINC000451228445 560294520 /nfs/dbraw/zinc/29/45/20/560294520.db2.gz NXFVUYNOABDVPD-LSDHHAIUSA-N 1 0 355.394 2.384 20 5 FEBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260546 560296564 /nfs/dbraw/zinc/29/65/64/560296564.db2.gz UTXQOOXBQWTZMW-IUODEOHRSA-N 1 0 351.403 2.025 20 5 FEBDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1(C)C ZINC000451483076 560309701 /nfs/dbraw/zinc/30/97/01/560309701.db2.gz DTTFIUPVOQBIHY-PBHICJAKSA-N 1 0 365.386 2.055 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451700964 560323122 /nfs/dbraw/zinc/32/31/22/560323122.db2.gz YZTLGRPMIIZWHH-QLFBSQMISA-N 1 0 350.415 2.465 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC12CCCCC2 ZINC000451816630 560330427 /nfs/dbraw/zinc/33/04/27/560330427.db2.gz PLKWTDIXBWHCBH-HNNXBMFYSA-N 1 0 350.415 2.370 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452101327 560351246 /nfs/dbraw/zinc/35/12/46/560351246.db2.gz GASYEYQOXLLEND-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1C ZINC000452109289 560351695 /nfs/dbraw/zinc/35/16/95/560351695.db2.gz XMXCSILCDSHAEM-CQSZACIVSA-N 1 0 355.460 2.315 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112055 560352012 /nfs/dbraw/zinc/35/20/12/560352012.db2.gz DYGSQPGFUAFIFI-OAHLLOKOSA-N 1 0 362.430 2.307 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452124178 560352921 /nfs/dbraw/zinc/35/29/21/560352921.db2.gz WAOSIAVAWWGHBS-HNNXBMFYSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452355162 560359705 /nfs/dbraw/zinc/35/97/05/560359705.db2.gz XBDCYQMGNAWPCO-ZFWWWQNUSA-N 1 0 367.471 2.038 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452369907 560360879 /nfs/dbraw/zinc/36/08/79/560360879.db2.gz FFBXEZAODAWLEF-WMZOPIPTSA-N 1 0 363.458 2.127 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000457897692 560592970 /nfs/dbraw/zinc/59/29/70/560592970.db2.gz HMZHDJCRGUXZNC-AWEZNQCLSA-N 1 0 350.419 2.229 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459655427 560700652 /nfs/dbraw/zinc/70/06/52/560700652.db2.gz DEOTVGPDJFVPPO-ZBFHGGJFSA-N 1 0 373.409 2.394 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461642495 560778628 /nfs/dbraw/zinc/77/86/28/560778628.db2.gz UEXZHRZPTSVEHO-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000464555150 560845280 /nfs/dbraw/zinc/84/52/80/560845280.db2.gz OFEJDZITCZESEH-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO CCS(=O)(=O)N(C)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468634384 560934604 /nfs/dbraw/zinc/93/46/04/560934604.db2.gz CVFNVONQAJGXSU-KAMYIIQDSA-N 1 0 355.460 2.259 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000468740297 560937638 /nfs/dbraw/zinc/93/76/38/560937638.db2.gz VWKFDIQYSAQKKD-QSNQCMLGSA-N 1 0 367.471 2.306 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151671 560975570 /nfs/dbraw/zinc/97/55/70/560975570.db2.gz JDJMFDBWHFQCPP-OAHLLOKOSA-N 1 0 354.382 2.212 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000470173730 560975941 /nfs/dbraw/zinc/97/59/41/560975941.db2.gz NFEFGKZBVVJADP-AGWAZZAUSA-N 1 0 372.469 2.237 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000470178766 560976177 /nfs/dbraw/zinc/97/61/77/560976177.db2.gz NMVDNEGZWCXTEW-MRXNPFEDSA-N 1 0 357.414 2.020 20 5 FEBDRO C[C@H](CN1CCOCC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472228206 561021511 /nfs/dbraw/zinc/02/15/11/561021511.db2.gz DUVKOKBFVBRFRQ-QGZVFWFLSA-N 1 0 373.457 2.014 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000472264218 561022224 /nfs/dbraw/zinc/02/22/24/561022224.db2.gz WDEGEVGQHXDCSB-MRXNPFEDSA-N 1 0 372.469 2.148 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000473959291 561062049 /nfs/dbraw/zinc/06/20/49/561062049.db2.gz WXZVEJONSRNTPY-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000474005739 561063335 /nfs/dbraw/zinc/06/33/35/561063335.db2.gz MTLZBNDIRQXFIG-YOEHRIQHSA-N 1 0 364.398 2.194 20 5 FEBDRO Cn1c(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000474308600 561070901 /nfs/dbraw/zinc/07/09/01/561070901.db2.gz UTNRYPVRZZMBHM-SMDDNHRTSA-N 1 0 364.352 2.087 20 5 FEBDRO COC(=O)c1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000474793026 561083017 /nfs/dbraw/zinc/08/30/17/561083017.db2.gz YQXAXVRFWGCOKW-HNNXBMFYSA-N 1 0 365.430 2.459 20 5 FEBDRO CCC1(CO)CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000475704471 561102631 /nfs/dbraw/zinc/10/26/31/561102631.db2.gz HAALXHJDSXJZEX-UHFFFAOYSA-N 1 0 366.414 2.131 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000476637149 561124890 /nfs/dbraw/zinc/12/48/90/561124890.db2.gz UJEVGHNSMPMVGU-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc(Cl)cc1 ZINC000530602886 562417345 /nfs/dbraw/zinc/41/73/45/562417345.db2.gz UIHPBVJJLFYQOL-CQSZACIVSA-N 1 0 364.789 2.382 20 5 FEBDRO CNc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531252425 562439770 /nfs/dbraw/zinc/43/97/70/562439770.db2.gz BQBOKEKVQZLBAZ-KBPBESRZSA-N 1 0 364.446 2.256 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531267437 562440181 /nfs/dbraw/zinc/44/01/81/562440181.db2.gz FHYSSWYGPVBIMT-NSHDSACASA-N 1 0 370.247 2.358 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000531340874 562442567 /nfs/dbraw/zinc/44/25/67/562442567.db2.gz ZLYLPIFJOUHDQH-QGZVFWFLSA-N 1 0 350.438 2.334 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000531722670 562454925 /nfs/dbraw/zinc/45/49/25/562454925.db2.gz MEVVALUDEZGGCB-CQSZACIVSA-N 1 0 369.421 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000532918696 562492573 /nfs/dbraw/zinc/49/25/73/562492573.db2.gz JIJCZFQNMVPZJG-UHFFFAOYSA-N 1 0 355.398 2.389 20 5 FEBDRO C[N@H+](CCOc1ccccc1Cl)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534135750 562526160 /nfs/dbraw/zinc/52/61/60/562526160.db2.gz COGALKYBNQCKSR-UHFFFAOYSA-N 1 0 351.790 2.421 20 5 FEBDRO CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000534827181 562543287 /nfs/dbraw/zinc/54/32/87/562543287.db2.gz DERVLOIBOHXYSW-KBPBESRZSA-N 1 0 355.485 2.191 20 5 FEBDRO CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000536470871 562576331 /nfs/dbraw/zinc/57/63/31/562576331.db2.gz DQIXEXFTKGFGBE-JKSUJKDBSA-N 1 0 366.487 2.209 20 5 FEBDRO CC(C)(C)[N@@H+]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000536548698 562578801 /nfs/dbraw/zinc/57/88/01/562578801.db2.gz JKKCITANYIAZRV-UHFFFAOYSA-N 1 0 355.460 2.309 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](CO)C1CCCCC1 ZINC000541051186 562601496 /nfs/dbraw/zinc/60/14/96/562601496.db2.gz FMBJIJGFBNXJLD-MRXNPFEDSA-N 1 0 365.430 2.463 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000541192130 562605527 /nfs/dbraw/zinc/60/55/27/562605527.db2.gz ALZHNBQCZRFMIB-GFCCVEGCSA-N 1 0 373.500 2.228 20 5 FEBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000541523968 562614295 /nfs/dbraw/zinc/61/42/95/562614295.db2.gz LBGCYODVCYYHRG-ZDUSSCGKSA-N 1 0 363.414 2.360 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000541817865 562620481 /nfs/dbraw/zinc/62/04/81/562620481.db2.gz ZAGFNRKATOQCDW-NSHDSACASA-N 1 0 359.423 2.085 20 5 FEBDRO CCCNC(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602518913 567986900 /nfs/dbraw/zinc/98/69/00/567986900.db2.gz TUGDIGDXNFKYCE-UHFFFAOYSA-N 1 0 350.238 2.425 20 5 FEBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C1CCN(c3ccc([N+](=O)[O-])nc3)CC1)C2 ZINC000602508043 567988904 /nfs/dbraw/zinc/98/89/04/567988904.db2.gz LBAZQVGRTQVJRD-INIZCTEOSA-N 1 0 368.441 2.204 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](O)C2CCOCC2)cc1Br ZINC000602544946 567990054 /nfs/dbraw/zinc/99/00/54/567990054.db2.gz COEPGKIWNHQRFD-LLVKDONJSA-N 1 0 365.249 2.296 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000603378381 568093733 /nfs/dbraw/zinc/09/37/33/568093733.db2.gz GPVKDCOYEAWADM-UHFFFAOYSA-N 1 0 367.471 2.264 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(O)Cc3ccccc3C2)n1 ZINC000569542721 568406715 /nfs/dbraw/zinc/40/67/15/568406715.db2.gz AUTIRLBXBKFEHR-DLBZAZTESA-N 1 0 356.426 2.395 20 5 FEBDRO CO[C@@H]1CCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000570833071 568539202 /nfs/dbraw/zinc/53/92/02/568539202.db2.gz NDVHJCTUCNQZSB-FPMFFAJLSA-N 1 0 353.444 2.040 20 5 FEBDRO CNc1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000558075717 674482098 /nfs/dbraw/zinc/48/20/98/674482098.db2.gz ZFHMADPAYNCLCN-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)CC2CCCCC2)cc1 ZINC000566233772 675196824 /nfs/dbraw/zinc/19/68/24/675196824.db2.gz MUJZGBJOQMJPJO-HNNXBMFYSA-N 1 0 370.471 2.289 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825850693 607448528 /nfs/dbraw/zinc/44/85/28/607448528.db2.gz QNRJVOFLNQTJIW-INIZCTEOSA-N 1 0 353.386 2.490 20 5 FEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000809821056 674512981 /nfs/dbraw/zinc/51/29/81/674512981.db2.gz HHFQCVBJYICEOP-RKDXNWHRSA-N 1 0 365.814 2.148 20 5 FEBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809835786 674514907 /nfs/dbraw/zinc/51/49/07/674514907.db2.gz KDZGGQJUPBNORL-UHFFFAOYSA-N 1 0 367.830 2.350 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916387 674519474 /nfs/dbraw/zinc/51/94/74/674519474.db2.gz IPGXRJVUVGERKX-LLVKDONJSA-N 1 0 356.810 2.481 20 5 FEBDRO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CCCCC1 ZINC000821581398 606698030 /nfs/dbraw/zinc/69/80/30/606698030.db2.gz KGJAIMYCZJBPKQ-CYBMUJFWSA-N 1 0 360.422 2.092 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821065741 606704473 /nfs/dbraw/zinc/70/44/73/606704473.db2.gz LXEKKKDGOIZEGI-LBPRGKRZSA-N 1 0 360.422 2.236 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820709316 607168482 /nfs/dbraw/zinc/16/84/82/607168482.db2.gz HGUBJNJJWOCCLO-GFCCVEGCSA-N 1 0 360.422 2.094 20 5 FEBDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000560585633 674601158 /nfs/dbraw/zinc/60/11/58/674601158.db2.gz VTSCLDOXPBWMSC-JKSUJKDBSA-N 1 0 355.460 2.450 20 5 FEBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC[NH+](C)CC1 ZINC000813282297 674733002 /nfs/dbraw/zinc/73/30/02/674733002.db2.gz RSPRFEPAQGLRTQ-UHFFFAOYSA-N 1 0 366.487 2.218 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815012986 674895802 /nfs/dbraw/zinc/89/58/02/674895802.db2.gz PHNQDRABMPWGMN-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000563753575 674935783 /nfs/dbraw/zinc/93/57/83/674935783.db2.gz KUPMZKUFNAKIHV-BBRMVZONSA-N 1 0 355.460 2.229 20 5 FEBDRO CC[N@H+](CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564385749 675006343 /nfs/dbraw/zinc/00/63/43/675006343.db2.gz VRNIDYCSCWJHSK-UHFFFAOYSA-N 1 0 364.183 2.404 20 5 FEBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000564860689 675069389 /nfs/dbraw/zinc/06/93/89/675069389.db2.gz TZCFWWRRMQXSJC-ZVZYQTTQSA-N 1 0 352.431 2.375 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCCc2ccc(F)c(F)c2)c1 ZINC000564873968 675071245 /nfs/dbraw/zinc/07/12/45/675071245.db2.gz WDUYUENOOOACLC-CQSZACIVSA-N 1 0 354.357 2.043 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000817151669 675106211 /nfs/dbraw/zinc/10/62/11/675106211.db2.gz XHEOLFWEXHQYKV-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000083990450 670663717 /nfs/dbraw/zinc/66/37/17/670663717.db2.gz RMIPCNXHOFJYMI-SNVBAGLBSA-N 1 0 361.851 2.318 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000093002556 670747735 /nfs/dbraw/zinc/74/77/35/670747735.db2.gz RTOIMEZOVCYRIB-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO Cc1c(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000817486244 675137623 /nfs/dbraw/zinc/13/76/23/675137623.db2.gz YVHNJZLNJJCGIN-UHFFFAOYSA-N 1 0 350.375 2.414 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000571282976 670848828 /nfs/dbraw/zinc/84/88/28/670848828.db2.gz CFWOYXFKWURXNI-DTWKUNHWSA-N 1 0 359.329 2.062 20 5 FEBDRO COc1cccc([N+](=O)[O-])c1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000571298140 670851800 /nfs/dbraw/zinc/85/18/00/670851800.db2.gz SEORPGJMPLVRFZ-UHFFFAOYSA-N 1 0 350.419 2.008 20 5 FEBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@@H+]1C ZINC000572014621 670951717 /nfs/dbraw/zinc/95/17/17/670951717.db2.gz CVXYXIRIYZXYJY-CHWSQXEVSA-N 1 0 352.410 2.465 20 5 FEBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000572975151 671066746 /nfs/dbraw/zinc/06/67/46/671066746.db2.gz MUKCVGBPHOKUCS-UHFFFAOYSA-N 1 0 350.394 2.244 20 5 FEBDRO CC[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000573943491 671184375 /nfs/dbraw/zinc/18/43/75/671184375.db2.gz GEFSMFGFWOBFSJ-NSHDSACASA-N 1 0 370.247 2.452 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000574679568 671267592 /nfs/dbraw/zinc/26/75/92/671267592.db2.gz QBOBDDGJIPKTAF-UHFFFAOYSA-N 1 0 363.867 2.052 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000575748891 671317925 /nfs/dbraw/zinc/31/79/25/671317925.db2.gz KEMTZMCNXVUAPD-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO [NH3+]CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000566215268 675194485 /nfs/dbraw/zinc/19/44/85/675194485.db2.gz FQDUTGIHWOYRPW-UHFFFAOYSA-N 1 0 367.349 2.163 20 5 FEBDRO C[C@@]1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCOC1 ZINC000576216653 671352446 /nfs/dbraw/zinc/35/24/46/671352446.db2.gz ZYPWKFYNNHRKAN-GFCCVEGCSA-N 1 0 362.167 2.468 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000577372899 671591588 /nfs/dbraw/zinc/59/15/88/671591588.db2.gz YKVOKGBCCVWUAH-NSHDSACASA-N 1 0 353.806 2.076 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000577503768 671600786 /nfs/dbraw/zinc/60/07/86/671600786.db2.gz BMIXQTQXTWOTHJ-HNNXBMFYSA-N 1 0 351.447 2.081 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609387866 675921136 /nfs/dbraw/zinc/92/11/36/675921136.db2.gz LNBWRQZHGRCKDO-NSHDSACASA-N 1 0 359.835 2.011 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560944 675926158 /nfs/dbraw/zinc/92/61/58/675926158.db2.gz BGMXOWFDALMDTJ-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000578364371 671659957 /nfs/dbraw/zinc/65/99/57/671659957.db2.gz RBWCMFYRNZENDB-UHFFFAOYSA-N 1 0 368.503 2.272 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000609673381 675931805 /nfs/dbraw/zinc/93/18/05/675931805.db2.gz DFXYPQLVFALPNY-UONOGXRCSA-N 1 0 355.460 2.444 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000579344946 671728733 /nfs/dbraw/zinc/72/87/33/671728733.db2.gz QQUSSLUMEQXGJO-GJZGRUSLSA-N 1 0 350.415 2.273 20 5 FEBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000579583449 671746426 /nfs/dbraw/zinc/74/64/26/671746426.db2.gz ULMQXZMFDOGNNW-DAYGRLMNSA-N 1 0 352.431 2.375 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000579704680 671754638 /nfs/dbraw/zinc/75/46/38/671754638.db2.gz DANPDIZMDKJCRX-ZIAGYGMSSA-N 1 0 358.320 2.088 20 5 FEBDRO C[C@H]1C[NH+](CC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000580047716 671778790 /nfs/dbraw/zinc/77/87/90/671778790.db2.gz OFZCTMRIPPYYPY-STQMWFEESA-N 1 0 352.410 2.455 20 5 FEBDRO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000580677652 671824185 /nfs/dbraw/zinc/82/41/85/671824185.db2.gz WWXLNVSRXJUGCH-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000580774037 671832097 /nfs/dbraw/zinc/83/20/97/671832097.db2.gz LQEVIYUUSSCZRK-CVEARBPZSA-N 1 0 352.431 2.113 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000580844794 671840093 /nfs/dbraw/zinc/84/00/93/671840093.db2.gz ULRZDLPQFDQIRB-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000580980950 671852525 /nfs/dbraw/zinc/85/25/25/671852525.db2.gz JLHZRFZKMIVMJO-STQMWFEESA-N 1 0 351.403 2.025 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119950177 671913121 /nfs/dbraw/zinc/91/31/21/671913121.db2.gz JEUAZRKCWZRDRR-GRYCIOLGSA-N 1 0 361.489 2.301 20 5 FEBDRO CCOc1cc(C(=O)N[C@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000582057108 671963116 /nfs/dbraw/zinc/96/31/16/671963116.db2.gz DAQNYRIPQFKARQ-KRWDZBQOSA-N 1 0 353.419 2.495 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261448 675961864 /nfs/dbraw/zinc/96/18/64/675961864.db2.gz GEVUZSWAHRXVBB-MJBXVCDLSA-N 1 0 368.459 2.016 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOC2CCOCC2)n1 ZINC000582466465 672003922 /nfs/dbraw/zinc/00/39/22/672003922.db2.gz XGZLGZSXJLGVBI-HZPDHXFCSA-N 1 0 352.435 2.450 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000125460033 672011736 /nfs/dbraw/zinc/01/17/36/672011736.db2.gz NPNGCVLYGWCUEV-LLVKDONJSA-N 1 0 373.862 2.319 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000610336055 675967048 /nfs/dbraw/zinc/96/70/48/675967048.db2.gz SPSSTYGKTCUCJT-HNNXBMFYSA-N 1 0 352.822 2.373 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000582790407 672034413 /nfs/dbraw/zinc/03/44/13/672034413.db2.gz OPEYPVBXQRYWFW-STQMWFEESA-N 1 0 373.500 2.089 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000132268802 672096188 /nfs/dbraw/zinc/09/61/88/672096188.db2.gz PLSMQNYEPWPMFZ-UHFFFAOYSA-N 1 0 361.439 2.439 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000610576947 675982478 /nfs/dbraw/zinc/98/24/78/675982478.db2.gz KTXNENACXDVCLG-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000584026008 672148414 /nfs/dbraw/zinc/14/84/14/672148414.db2.gz KLPUIBXYDGQWSJ-UHFFFAOYSA-N 1 0 350.419 2.424 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000179188067 672399694 /nfs/dbraw/zinc/39/96/94/672399694.db2.gz BZRZUERADGAEHP-UHFFFAOYSA-N 1 0 359.423 2.197 20 5 FEBDRO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000611072638 676015066 /nfs/dbraw/zinc/01/50/66/676015066.db2.gz PYHHRDUYMOFRJD-LLVKDONJSA-N 1 0 356.220 2.490 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000588820897 672484030 /nfs/dbraw/zinc/48/40/30/672484030.db2.gz ULLSXUHRNINQMO-GJZGRUSLSA-N 1 0 351.451 2.299 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCOC1 ZINC000611205377 676024970 /nfs/dbraw/zinc/02/49/70/676024970.db2.gz ZSPDXQYRCSVJRS-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)o2)c(Cl)c1 ZINC000611276765 676029051 /nfs/dbraw/zinc/02/90/51/676029051.db2.gz GZCGPESSCAFVJV-TXEJJXNPSA-N 1 0 352.774 2.436 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000590165278 672562551 /nfs/dbraw/zinc/56/25/51/672562551.db2.gz DDWQETNMRCJTFH-KRWDZBQOSA-N 1 0 367.471 2.264 20 5 FEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000611374246 676034577 /nfs/dbraw/zinc/03/45/77/676034577.db2.gz HRUFNRIBQVTHIZ-KRWDZBQOSA-N 1 0 350.438 2.334 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565847 672590403 /nfs/dbraw/zinc/59/04/03/672590403.db2.gz RLHLYXCWGVHNLM-DZGCQCFKSA-N 1 0 353.806 2.183 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590591636 672594460 /nfs/dbraw/zinc/59/44/60/672594460.db2.gz VOMQCAKEUCSZHA-ZDUSSCGKSA-N 1 0 373.450 2.395 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+]C2(CO)CCCCC2)c([N+](=O)[O-])c1 ZINC000591018936 672641599 /nfs/dbraw/zinc/64/15/99/672641599.db2.gz PFUVERVMFQJKFP-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000591770314 672709919 /nfs/dbraw/zinc/70/99/19/672709919.db2.gz RRWVPVSWNZQKJH-GOEBONIOSA-N 1 0 350.415 2.273 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000592174441 672767738 /nfs/dbraw/zinc/76/77/38/672767738.db2.gz UADBSLKQWRAFOC-XPKDYRNWSA-N 1 0 353.444 2.422 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593062663 672870102 /nfs/dbraw/zinc/87/01/02/672870102.db2.gz QOVGCOZSLKHHBA-OCCSQVGLSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000261897320 672905023 /nfs/dbraw/zinc/90/50/23/672905023.db2.gz WECSETYEIWEXIH-QWRGUYRKSA-N 1 0 361.851 2.447 20 5 FEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593918847 673008305 /nfs/dbraw/zinc/00/83/05/673008305.db2.gz KQGAHFVHUXSULW-OUCADQQQSA-N 1 0 353.444 2.466 20 5 FEBDRO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000594046069 673025234 /nfs/dbraw/zinc/02/52/34/673025234.db2.gz ORFPJKWSHBRUIM-AWEZNQCLSA-N 1 0 351.403 2.489 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000594505386 673094377 /nfs/dbraw/zinc/09/43/77/673094377.db2.gz SXTZWVHDCDWRLD-FUHWJXTLSA-N 1 0 363.483 2.380 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000594525736 673094977 /nfs/dbraw/zinc/09/49/77/673094977.db2.gz UVCWWMGRDPMOHH-SECBINFHSA-N 1 0 374.241 2.302 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)c(C)cc1[N+](=O)[O-] ZINC000595108877 673194269 /nfs/dbraw/zinc/19/42/69/673194269.db2.gz VLMNNGGGODSEFS-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595113944 673195712 /nfs/dbraw/zinc/19/57/12/673195712.db2.gz PYWHNQRILJVYLU-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[C@H]1F ZINC000595260949 673214911 /nfs/dbraw/zinc/21/49/11/673214911.db2.gz OVYHJHDWSSYUSP-GHMZBOCLSA-N 1 0 365.283 2.047 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595344624 673228404 /nfs/dbraw/zinc/22/84/04/673228404.db2.gz HURIWUWERABULN-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000595346964 673229277 /nfs/dbraw/zinc/22/92/77/673229277.db2.gz ZILKKMKJTDDIIQ-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000595413296 673246431 /nfs/dbraw/zinc/24/64/31/673246431.db2.gz ZJGFCQBIBDOMOI-UHFFFAOYSA-N 1 0 367.471 2.304 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000595467308 673254628 /nfs/dbraw/zinc/25/46/28/673254628.db2.gz JYTGLDHMFRCCNV-CQSZACIVSA-N 1 0 350.419 2.275 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@H](C)[C@H]2CN(C)CCO2)ccc1[N+](=O)[O-] ZINC000596167555 673364515 /nfs/dbraw/zinc/36/45/15/673364515.db2.gz KPQPTDFFPGKLGG-BXKDBHETSA-N 1 0 357.794 2.166 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000596237774 673370920 /nfs/dbraw/zinc/37/09/20/673370920.db2.gz XIWSPRUJOPTDBF-ZDUSSCGKSA-N 1 0 372.491 2.424 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000596254873 673371992 /nfs/dbraw/zinc/37/19/92/673371992.db2.gz TVAKKONGKGOULL-UHFFFAOYSA-N 1 0 365.459 2.176 20 5 FEBDRO COc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596269734 673373262 /nfs/dbraw/zinc/37/32/62/673373262.db2.gz ZRCRCHQXEQQNGD-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596477559 673388375 /nfs/dbraw/zinc/38/83/75/673388375.db2.gz BFHMMLDFLRQGNY-LBPRGKRZSA-N 1 0 368.459 2.061 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000596566756 673394165 /nfs/dbraw/zinc/39/41/65/673394165.db2.gz KIJBPBSVWIXQRG-LBPRGKRZSA-N 1 0 373.251 2.299 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000733158640 673400974 /nfs/dbraw/zinc/40/09/74/673400974.db2.gz OYVWAJZBMQVDEZ-CYBMUJFWSA-N 1 0 353.444 2.338 20 5 FEBDRO C[C@@H](CC1CCCC1)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537943228 673414809 /nfs/dbraw/zinc/41/48/09/673414809.db2.gz GTCYNVTVYCWPQF-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000734552829 673466612 /nfs/dbraw/zinc/46/66/12/673466612.db2.gz SMUSXVIPQFZEDN-GFCCVEGCSA-N 1 0 350.375 2.225 20 5 FEBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000597654221 673496582 /nfs/dbraw/zinc/49/65/82/673496582.db2.gz PTBDXMGOEMFZLO-GFCCVEGCSA-N 1 0 355.460 2.139 20 5 FEBDRO CSc1cccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597943348 673522041 /nfs/dbraw/zinc/52/20/41/673522041.db2.gz YVFOPSZKCZOWJF-ZDUSSCGKSA-N 1 0 368.503 2.319 20 5 FEBDRO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](C)C1 ZINC000597945562 673522374 /nfs/dbraw/zinc/52/23/74/673522374.db2.gz IHZFWCXYHFIIEO-ZDUSSCGKSA-N 1 0 370.247 2.452 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)cc1 ZINC000540192706 673527167 /nfs/dbraw/zinc/52/71/67/673527167.db2.gz NNPNFNZLOHKVCA-GJZGRUSLSA-N 1 0 367.471 2.432 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598377696 673563876 /nfs/dbraw/zinc/56/38/76/673563876.db2.gz ZLFLKCWJJBDCMP-GFCCVEGCSA-N 1 0 353.806 2.231 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(C(=O)CSc2ccccc2[N+](=O)[O-])CCO1 ZINC000598545907 673581257 /nfs/dbraw/zinc/58/12/57/673581257.db2.gz RUVVCUUQCZMURN-CQSZACIVSA-N 1 0 367.471 2.256 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC1CC(N2CCOCC2)C1 ZINC000599094795 673632694 /nfs/dbraw/zinc/63/26/94/673632694.db2.gz NSORYSQBHYHCRJ-UHFFFAOYSA-N 1 0 357.208 2.027 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000543644414 673658625 /nfs/dbraw/zinc/65/86/25/673658625.db2.gz JXXMWAKUQRMKQQ-UHFFFAOYSA-N 1 0 354.382 2.308 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000543675042 673660681 /nfs/dbraw/zinc/66/06/81/673660681.db2.gz RCMOBXXSHAPMCL-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000543683843 673661579 /nfs/dbraw/zinc/66/15/79/673661579.db2.gz HCIZYNGRGNGWFH-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO COc1cc(C(=O)OC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000741117710 673671474 /nfs/dbraw/zinc/67/14/74/673671474.db2.gz BIFRNZVBKQDSDB-CQSZACIVSA-N 1 0 352.387 2.117 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000599464987 673679167 /nfs/dbraw/zinc/67/91/67/673679167.db2.gz ZNUKZHNYNSLFAK-KRWDZBQOSA-N 1 0 367.471 2.074 20 5 FEBDRO Cc1c(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720659 673695504 /nfs/dbraw/zinc/69/55/04/673695504.db2.gz ISUCSCUCRIMOPU-BXKDBHETSA-N 1 0 350.375 2.332 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599673445 673705011 /nfs/dbraw/zinc/70/50/11/673705011.db2.gz OWOYXSQDLVUAJY-GFCCVEGCSA-N 1 0 353.419 2.413 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000544474114 673713637 /nfs/dbraw/zinc/71/36/37/673713637.db2.gz ZJMTXKUIYHEMNX-AVGNSLFASA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000544661444 673724340 /nfs/dbraw/zinc/72/43/40/673724340.db2.gz RUDDIRYZSUBBLK-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000600825476 673802029 /nfs/dbraw/zinc/80/20/29/673802029.db2.gz HUGMNYGHDLWMIJ-UHFFFAOYSA-N 1 0 360.336 2.479 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601340965 673845067 /nfs/dbraw/zinc/84/50/67/673845067.db2.gz ZRRINPLOCZMRJW-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)c(Cl)c1 ZINC000601351364 673846581 /nfs/dbraw/zinc/84/65/81/673846581.db2.gz FRZXWVPQFMEVLY-GXFFZTMASA-N 1 0 359.835 2.011 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601351445 673846591 /nfs/dbraw/zinc/84/65/91/673846591.db2.gz HIWPTWFLFNWLJR-JQWIXIFHSA-N 1 0 359.835 2.011 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601351447 673846606 /nfs/dbraw/zinc/84/66/06/673846606.db2.gz HIWPTWFLFNWLJR-ZYHUDNBSSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601354414 673846960 /nfs/dbraw/zinc/84/69/60/673846960.db2.gz NPUNRJLUXOYYNY-LBPRGKRZSA-N 1 0 359.473 2.071 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601354413 673846966 /nfs/dbraw/zinc/84/69/66/673846966.db2.gz NPUNRJLUXOYYNY-GFCCVEGCSA-N 1 0 359.473 2.071 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000602583075 673908199 /nfs/dbraw/zinc/90/81/99/673908199.db2.gz PFOPFKAAEAENTA-CQSZACIVSA-N 1 0 367.833 2.479 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1Br ZINC000602646496 673909180 /nfs/dbraw/zinc/90/91/80/673909180.db2.gz ZZBQFYPSRBHAKX-DTWKUNHWSA-N 1 0 365.249 2.153 20 5 FEBDRO CCC1([NH+](C)C)CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602967718 673914932 /nfs/dbraw/zinc/91/49/32/673914932.db2.gz PHUVCTGPIGHIAV-MRXNPFEDSA-N 1 0 351.447 2.141 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000747377563 673924691 /nfs/dbraw/zinc/92/46/91/673924691.db2.gz YZDDIQYECUKBJJ-RLCCDNCMSA-N 1 0 351.378 2.058 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000548989540 674010330 /nfs/dbraw/zinc/01/03/30/674010330.db2.gz MSZCFKSLRAXVGM-CQSZACIVSA-N 1 0 363.439 2.442 20 5 FEBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000615422338 676214873 /nfs/dbraw/zinc/21/48/73/676214873.db2.gz RRXWXOZVMKQCOV-NSHDSACASA-N 1 0 368.821 2.176 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818613986 675228584 /nfs/dbraw/zinc/22/85/84/675228584.db2.gz LYQWULCOXRPHMS-UHFFFAOYSA-N 1 0 351.378 2.105 20 5 FEBDRO COc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000566748346 675239633 /nfs/dbraw/zinc/23/96/33/675239633.db2.gz OXMIEQDINUCIEN-CYBMUJFWSA-N 1 0 353.394 2.434 20 5 FEBDRO CC(C)OCCN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819128591 675263159 /nfs/dbraw/zinc/26/31/59/675263159.db2.gz OHMXAUPQRXQZAS-GOSISDBHSA-N 1 0 351.447 2.107 20 5 FEBDRO Cc1ccccc1[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819229815 675271872 /nfs/dbraw/zinc/27/18/72/675271872.db2.gz SROSRRDLOFOOSM-QGZVFWFLSA-N 1 0 364.423 2.000 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000820827089 675391770 /nfs/dbraw/zinc/39/17/70/675391770.db2.gz JRZHKCJJVBWQFI-ZDUSSCGKSA-N 1 0 368.821 2.311 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1CCO ZINC000821053024 675409841 /nfs/dbraw/zinc/40/98/41/675409841.db2.gz SSOYGSQVERKMNV-CYBMUJFWSA-N 1 0 369.849 2.144 20 5 FEBDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824827123 675623556 /nfs/dbraw/zinc/62/35/56/675623556.db2.gz ANLSGRSDCUVKPI-QWHCGFSZSA-N 1 0 357.332 2.437 20 5 FEBDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CS1(=O)=O ZINC000827165348 675735578 /nfs/dbraw/zinc/73/55/78/675735578.db2.gz XFJJMWADQHDAQS-ZFWWWQNUSA-N 1 0 367.471 2.119 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827580992 675766349 /nfs/dbraw/zinc/76/63/49/675766349.db2.gz YJLPMFJLNUEDFE-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sccc1C(N)=O ZINC000830167037 677028446 /nfs/dbraw/zinc/02/84/46/677028446.db2.gz GKBJESGPPCXTNO-UWVGGRQHSA-N 1 0 362.411 2.433 20 5 FEBDRO CC1(CCCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OCCO1 ZINC000838895235 680726301 /nfs/dbraw/zinc/72/63/01/680726301.db2.gz OWMNRTRGDRPXRD-CQSZACIVSA-N 1 0 350.419 2.409 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839433485 680752763 /nfs/dbraw/zinc/75/27/63/680752763.db2.gz IDIYMZRKKNIHRY-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000839439738 680752905 /nfs/dbraw/zinc/75/29/05/680752905.db2.gz FDZDSQHPEGVTSD-ZDUSSCGKSA-N 1 0 350.375 2.366 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839520743 680758979 /nfs/dbraw/zinc/75/89/79/680758979.db2.gz OENGGUKEQCULOV-UHFFFAOYSA-N 1 0 370.837 2.233 20 5 FEBDRO CCO[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831746554 680037057 /nfs/dbraw/zinc/03/70/57/680037057.db2.gz YJPUNVVINDQYLG-NSHDSACASA-N 1 0 363.336 2.310 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000834753048 680263306 /nfs/dbraw/zinc/26/33/06/680263306.db2.gz WMGHDDVCPGHISQ-UHFFFAOYSA-N 1 0 350.394 2.158 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643077 680436509 /nfs/dbraw/zinc/43/65/09/680436509.db2.gz JQGNXMCTLWHXAJ-IXYNUQLISA-N 1 0 353.369 2.147 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034643223 680436541 /nfs/dbraw/zinc/43/65/41/680436541.db2.gz KOHNLKMQLUEUKV-RGCMKSIDSA-N 1 0 353.369 2.147 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@H+](CCc3cccs3)C2)CC1 ZINC001035186676 680443339 /nfs/dbraw/zinc/44/33/39/680443339.db2.gz JDVPEXRYHSAVIC-HZPDHXFCSA-N 1 0 363.483 2.270 20 5 FEBDRO Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001001398507 680460078 /nfs/dbraw/zinc/46/00/78/680460078.db2.gz GCSREOULBFTPQU-HZPDHXFCSA-N 1 0 351.472 2.358 20 5 FEBDRO O=C(NCC1CC[NH+](Cc2sccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399886 680460362 /nfs/dbraw/zinc/46/03/62/680460362.db2.gz NZNQTNSEAIXATL-DGCLKSJQSA-N 1 0 357.863 2.395 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCOCC2)cc1Cl ZINC000836385115 680461791 /nfs/dbraw/zinc/46/17/91/680461791.db2.gz COXQAQSIZHBQAO-UHFFFAOYSA-N 1 0 355.822 2.399 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000842484066 680950307 /nfs/dbraw/zinc/95/03/07/680950307.db2.gz XDAFWJFGAUEVMJ-CYBMUJFWSA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000842485763 680950519 /nfs/dbraw/zinc/95/05/19/680950519.db2.gz LXJLNBNROAIUBH-GXSJLCMTSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000842689455 680959677 /nfs/dbraw/zinc/95/96/77/680959677.db2.gz GJXSMQGPAAJBQG-JQWIXIFHSA-N 1 0 361.851 2.447 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842827954 680969872 /nfs/dbraw/zinc/96/98/72/680969872.db2.gz WNGHNRDHCOLDCF-CQSZACIVSA-N 1 0 361.851 2.225 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000769390258 680980503 /nfs/dbraw/zinc/98/05/03/680980503.db2.gz SOTMTCGNVQPGPI-ZFWWWQNUSA-N 1 0 351.403 2.227 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000775812949 681338398 /nfs/dbraw/zinc/33/83/98/681338398.db2.gz GVWBGYXVKUKUOO-NOLJZWGESA-N 1 0 351.403 2.085 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000775999198 681355714 /nfs/dbraw/zinc/35/57/14/681355714.db2.gz HRNWAKXZOXNZRW-UONOGXRCSA-N 1 0 372.878 2.164 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352522 681527821 /nfs/dbraw/zinc/52/78/21/681527821.db2.gz QHSYCRUUUQBSHO-DGCLKSJQSA-N 1 0 361.427 2.346 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798493 681531694 /nfs/dbraw/zinc/53/16/94/681531694.db2.gz PMKQPFRHXNWESP-LLVKDONJSA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1F ZINC000848508636 681566381 /nfs/dbraw/zinc/56/63/81/681566381.db2.gz OVRGPGRENOEJOH-KBPBESRZSA-N 1 0 371.434 2.338 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[NH+](C)C ZINC000778274168 681591766 /nfs/dbraw/zinc/59/17/66/681591766.db2.gz YJXCEEOLUWSEOO-NSHDSACASA-N 1 0 351.432 2.306 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000935444718 681752182 /nfs/dbraw/zinc/75/21/82/681752182.db2.gz ADZHDLMJOLGMTD-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000779902385 681769392 /nfs/dbraw/zinc/76/93/92/681769392.db2.gz OZVRQIXYIYWJOI-WDEREUQCSA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000850592512 681922216 /nfs/dbraw/zinc/92/22/16/681922216.db2.gz TUVWKVHWEQVIPB-KOLCDFICSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[N@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000781626544 681954204 /nfs/dbraw/zinc/95/42/04/681954204.db2.gz IQSSKPAHPDCWRN-UHFFFAOYSA-N 1 0 350.375 2.036 20 5 FEBDRO CN(CCCC[NH+](C)C)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781984293 681994340 /nfs/dbraw/zinc/99/43/40/681994340.db2.gz JJEZKWOFYKQYFP-UHFFFAOYSA-N 1 0 352.391 2.236 20 5 FEBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000851820648 682147678 /nfs/dbraw/zinc/14/76/78/682147678.db2.gz DRLLHQGCNYTPIE-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000785830278 682328718 /nfs/dbraw/zinc/32/87/18/682328718.db2.gz GOXYEZHVLYGMCE-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO [NH3+]Cc1cn([C@H]2CCCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)nn1 ZINC000853016356 682364195 /nfs/dbraw/zinc/36/41/95/682364195.db2.gz ZQDDFSRMVIWPAE-LBPRGKRZSA-N 1 0 352.345 2.424 20 5 FEBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065818 682370249 /nfs/dbraw/zinc/37/02/49/682370249.db2.gz ZTVDKBJEMCWDGJ-LBPRGKRZSA-N 1 0 369.219 2.047 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000788882710 682561977 /nfs/dbraw/zinc/56/19/77/682561977.db2.gz TWBNKWSFBNPPFN-ZDUSSCGKSA-N 1 0 361.489 2.445 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000788913356 682565278 /nfs/dbraw/zinc/56/52/78/682565278.db2.gz NWFFQQJOTFOANE-YPMHNXCESA-N 1 0 373.450 2.441 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854653273 682575683 /nfs/dbraw/zinc/57/56/83/682575683.db2.gz XTPFIKANXDYWGJ-YMTOWFKASA-N 1 0 368.821 2.371 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000855159099 682633864 /nfs/dbraw/zinc/63/38/64/682633864.db2.gz APCBEBBMKGOGQX-GFCCVEGCSA-N 1 0 353.394 2.349 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790456397 682679347 /nfs/dbraw/zinc/67/93/47/682679347.db2.gz ICOCGCGFAMMHCC-UHFFFAOYSA-N 1 0 355.410 2.473 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791060756 682721573 /nfs/dbraw/zinc/72/15/73/682721573.db2.gz MJYQMKRVCLAQBG-CYBMUJFWSA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1cc(F)cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000856429546 682781213 /nfs/dbraw/zinc/78/12/13/682781213.db2.gz KVJIZRHROQWUOY-AWEZNQCLSA-N 1 0 353.394 2.225 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857236155 682867813 /nfs/dbraw/zinc/86/78/13/682867813.db2.gz XUPOKGXNYQJLFH-QMTHXVAHSA-N 1 0 359.835 2.059 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=S)NCC1CC[NH+](C)CC1 ZINC000795095536 683017454 /nfs/dbraw/zinc/01/74/54/683017454.db2.gz GWPCSGXHAADFIC-UHFFFAOYSA-N 1 0 350.488 2.285 20 5 FEBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164841 683135595 /nfs/dbraw/zinc/13/55/95/683135595.db2.gz ZKFDEXCIRPWQPM-HZPDHXFCSA-N 1 0 351.403 2.229 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000919654368 683290008 /nfs/dbraw/zinc/29/00/08/683290008.db2.gz JFJHESPSJPPSMF-CYBMUJFWSA-N 1 0 350.419 2.277 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090403 683380032 /nfs/dbraw/zinc/38/00/32/683380032.db2.gz HXVZCQBHECDNAS-HOTGVXAUSA-N 1 0 360.439 2.386 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928093755 683382487 /nfs/dbraw/zinc/38/24/87/683382487.db2.gz NNHJSTCXBSVQOR-DZGCQCFKSA-N 1 0 365.455 2.060 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000861775520 683471666 /nfs/dbraw/zinc/47/16/66/683471666.db2.gz ZEYJADCFWWQTPH-MNOVXSKESA-N 1 0 368.231 2.381 20 5 FEBDRO Cn1nc2c(c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])COCC2 ZINC000921975099 683629497 /nfs/dbraw/zinc/62/94/97/683629497.db2.gz BOIAKGMBLNCLCW-UHFFFAOYSA-N 1 0 350.806 2.387 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000865267608 683959760 /nfs/dbraw/zinc/95/97/60/683959760.db2.gz RQIHCGKBHGRCOE-UHFFFAOYSA-N 1 0 363.487 2.003 20 5 FEBDRO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1(C)OCCO1 ZINC000865674223 684013005 /nfs/dbraw/zinc/01/30/05/684013005.db2.gz IZBBUKRDKNZYOP-LBPRGKRZSA-N 1 0 352.387 2.245 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000865996811 684058269 /nfs/dbraw/zinc/05/82/69/684058269.db2.gz QCDIQXOQWLUVDI-UHFFFAOYSA-N 1 0 353.448 2.099 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000866972200 684189572 /nfs/dbraw/zinc/18/95/72/684189572.db2.gz NQKLZRBUKMBBBK-TZMCWYRMSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000867192197 684223374 /nfs/dbraw/zinc/22/33/74/684223374.db2.gz WXZVJCMFVCZKQS-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000867224778 684228925 /nfs/dbraw/zinc/22/89/25/684228925.db2.gz DHRHLRIXQDFTDS-UHFFFAOYSA-N 1 0 373.500 2.461 20 5 FEBDRO C[N@@H+]1C[C@@]2(C)CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931309608 684258872 /nfs/dbraw/zinc/25/88/72/684258872.db2.gz DVPIUYYAGSAVSW-CALCHBBNSA-N 1 0 366.849 2.460 20 5 FEBDRO O=C1NCCC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000931607811 684312456 /nfs/dbraw/zinc/31/24/56/684312456.db2.gz MACKHIFUSREVNM-UHFFFAOYSA-N 1 0 368.231 2.459 20 5 FEBDRO C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731349 684338610 /nfs/dbraw/zinc/33/86/10/684338610.db2.gz AUYVGCFMMACCPC-UFBFGSQYSA-N 1 0 364.299 2.341 20 5 FEBDRO COCCC1(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000868041150 684442782 /nfs/dbraw/zinc/44/27/82/684442782.db2.gz VUSAHFDSOKKIHP-UHFFFAOYSA-N 1 0 353.444 2.205 20 5 FEBDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872020102 684915660 /nfs/dbraw/zinc/91/56/60/684915660.db2.gz CVFQRMHKCSYXDW-LBPRGKRZSA-N 1 0 366.487 2.178 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2F)c1 ZINC000872234497 684930240 /nfs/dbraw/zinc/93/02/40/684930240.db2.gz AZJVZUGQVXMDGV-LLVKDONJSA-N 1 0 363.176 2.388 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246171 684931611 /nfs/dbraw/zinc/93/16/11/684931611.db2.gz BHQGOSJALWJASW-IAGOWNOFSA-N 1 0 350.802 2.475 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000873177467 685089253 /nfs/dbraw/zinc/08/92/53/685089253.db2.gz NVIKAHDKKHBYKI-HOMQSWHASA-N 1 0 364.320 2.405 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874829717 685677585 /nfs/dbraw/zinc/67/75/85/685677585.db2.gz NANJODXHBXUFSF-ZIAGYGMSSA-N 1 0 350.394 2.109 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116618 686327640 /nfs/dbraw/zinc/32/76/40/686327640.db2.gz RLOVRLJOTHVIQM-CQSZACIVSA-N 1 0 367.833 2.479 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877357619 686361754 /nfs/dbraw/zinc/36/17/54/686361754.db2.gz MDNUQPCKNZZECV-ZJUUUORDSA-N 1 0 361.320 2.203 20 5 FEBDRO CCOC(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)OCC ZINC000877467937 686383793 /nfs/dbraw/zinc/38/37/93/686383793.db2.gz UJEFTRCWBZBRJK-UHFFFAOYSA-N 1 0 352.435 2.337 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000877586488 686416090 /nfs/dbraw/zinc/41/60/90/686416090.db2.gz HBOAFATVJOWPRW-UHFFFAOYSA-N 1 0 367.471 2.212 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877740127 686448066 /nfs/dbraw/zinc/44/80/66/686448066.db2.gz VBNKRGVPXDOVQF-UONOGXRCSA-N 1 0 366.439 2.332 20 5 FEBDRO C[C@](CO)([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000879274399 686784635 /nfs/dbraw/zinc/78/46/35/686784635.db2.gz PSALDCMADIVLHP-IAGOWNOFSA-N 1 0 352.337 2.404 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000879731128 686896460 /nfs/dbraw/zinc/89/64/60/686896460.db2.gz IEIZQUHZJFBVRZ-RDJZCZTQSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000881856597 687236065 /nfs/dbraw/zinc/23/60/65/687236065.db2.gz KZKXPIHEAKVPEI-GFCCVEGCSA-N 1 0 373.862 2.415 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000882127373 687308711 /nfs/dbraw/zinc/30/87/11/687308711.db2.gz IKVHVIVUHBKPLG-LBPRGKRZSA-N 1 0 350.188 2.221 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882769128 687480656 /nfs/dbraw/zinc/48/06/56/687480656.db2.gz IXHNDQRUHXAWRU-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@@H]2C[NH2+]C)c([N+](=O)[O-])c1 ZINC000883448730 687632887 /nfs/dbraw/zinc/63/28/87/687632887.db2.gz OTLGUOVMULMUBA-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885872747 688174580 /nfs/dbraw/zinc/17/45/80/688174580.db2.gz JBYKWMKUMURMOW-CQSZACIVSA-N 1 0 351.378 2.025 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887932193 688522822 /nfs/dbraw/zinc/52/28/22/688522822.db2.gz YQFNJUYSWNQFTO-BMIGLBTASA-N 1 0 368.231 2.381 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000888283669 688577095 /nfs/dbraw/zinc/57/70/95/688577095.db2.gz XBCIDGBZOSAYHZ-NWDGAFQWSA-N 1 0 370.837 2.475 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Cl ZINC000889752016 688816850 /nfs/dbraw/zinc/81/68/50/688816850.db2.gz UBPPJLDUVDGNRZ-GJZGRUSLSA-N 1 0 367.833 2.228 20 5 FEBDRO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000893134707 689302020 /nfs/dbraw/zinc/30/20/20/689302020.db2.gz LICQGSPSECTTEE-UHFFFAOYSA-N 1 0 358.324 2.061 20 5 FEBDRO CCC1([NH+]2CCOCC2)CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000894810485 689600380 /nfs/dbraw/zinc/60/03/80/689600380.db2.gz GZDMGWMOGCILPE-UHFFFAOYSA-N 1 0 350.419 2.080 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557902 689894976 /nfs/dbraw/zinc/89/49/76/689894976.db2.gz LQNQNNBRYAFYGF-PWSUYJOCSA-N 1 0 359.373 2.430 20 5 FEBDRO C[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897459832 690026534 /nfs/dbraw/zinc/02/65/34/690026534.db2.gz ONYSSTXDVZOKET-KBPBESRZSA-N 1 0 369.487 2.348 20 5 FEBDRO CCC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369060 690887785 /nfs/dbraw/zinc/88/77/85/690887785.db2.gz SFGIBFVBSJXFBI-CVEARBPZSA-N 1 0 356.444 2.229 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956679 690989168 /nfs/dbraw/zinc/98/91/68/690989168.db2.gz MWMMZJVYLSUNKO-NEPJUHHUSA-N 1 0 356.373 2.146 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000905358285 691108408 /nfs/dbraw/zinc/10/84/08/691108408.db2.gz GLVCMEQBDQMWFD-INIZCTEOSA-N 1 0 367.471 2.302 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCC3(CCC3)O2)cc1 ZINC000905438724 691119028 /nfs/dbraw/zinc/11/90/28/691119028.db2.gz BAEPCDFGWSNMMJ-CQSZACIVSA-N 1 0 354.428 2.060 20 5 FEBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905519614 691131132 /nfs/dbraw/zinc/13/11/32/691131132.db2.gz JMRHRMLYLTXDPB-ZDUSSCGKSA-N 1 0 358.320 2.442 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000905598158 691149031 /nfs/dbraw/zinc/14/90/31/691149031.db2.gz UQVOTYUXUBSGGR-RDJZCZTQSA-N 1 0 350.415 2.416 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000905641198 691155299 /nfs/dbraw/zinc/15/52/99/691155299.db2.gz RCQVFHWFCKDKTM-OAHLLOKOSA-N 1 0 352.431 2.377 20 5 FEBDRO CC1(C)CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000907598290 691524725 /nfs/dbraw/zinc/52/47/25/691524725.db2.gz CDBVVOCISMDHFR-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO Cc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928500 721857286 /nfs/dbraw/zinc/85/72/86/721857286.db2.gz NROMMKSTRACTFK-STQMWFEESA-N 1 0 353.854 2.166 20 5 FEBDRO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967617 722077875 /nfs/dbraw/zinc/07/78/75/722077875.db2.gz GXKOODOJDBAPGV-CALCHBBNSA-N 1 0 354.410 2.442 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800309758 674040497 /nfs/dbraw/zinc/04/04/97/674040497.db2.gz RMCLIMNGNUTEEA-IINYFYTJSA-N 1 0 361.851 2.056 20 5 FEBDRO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c([N+](=O)[O-])cc1OC ZINC000007127068 539448679 /nfs/dbraw/zinc/44/86/79/539448679.db2.gz MYIHAMAJHZQXFX-OAHLLOKOSA-N 1 0 368.353 2.249 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccc2O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026218616 539779992 /nfs/dbraw/zinc/77/99/92/539779992.db2.gz KDGKAWPOSAQILS-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000026885548 539796438 /nfs/dbraw/zinc/79/64/38/539796438.db2.gz JATMZPILNJGZDT-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000029369250 539851336 /nfs/dbraw/zinc/85/13/36/539851336.db2.gz WOJIPEIZLOWYIP-UHFFFAOYSA-N 1 0 352.460 2.025 20 5 FEBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)c1 ZINC000076267214 542251789 /nfs/dbraw/zinc/25/17/89/542251789.db2.gz ZHKYAKUYFVXVLK-CQSZACIVSA-N 1 0 358.402 2.225 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000029630475 539859283 /nfs/dbraw/zinc/85/92/83/539859283.db2.gz XNAQTAYNWLIRJP-SFHVURJKSA-N 1 0 357.410 2.157 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535764 539884546 /nfs/dbraw/zinc/88/45/46/539884546.db2.gz ZYSDEBDPBQMWEO-DOMZBBRYSA-N 1 0 360.366 2.414 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000032434672 539939132 /nfs/dbraw/zinc/93/91/32/539939132.db2.gz JFVQRHQKPCVJEX-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 ZINC000076268251 542253046 /nfs/dbraw/zinc/25/30/46/542253046.db2.gz JZBPKCJWWLWWCH-CHWSQXEVSA-N 1 0 372.429 2.188 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043121999 540089646 /nfs/dbraw/zinc/08/96/46/540089646.db2.gz NQZCOQHRNINAIQ-BETUJISGSA-N 1 0 366.418 2.224 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000046034339 540238626 /nfs/dbraw/zinc/23/86/26/540238626.db2.gz XWHZKFVXGYHFEB-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO C[NH+](C)Cc1cccc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000046811756 540271925 /nfs/dbraw/zinc/27/19/25/540271925.db2.gz FEAGMWHTJLKFFC-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000047216643 540297176 /nfs/dbraw/zinc/29/71/76/540297176.db2.gz ZDOJAGOJFTYPOT-CQSZACIVSA-N 1 0 367.471 2.304 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047145464 540292521 /nfs/dbraw/zinc/29/25/21/540292521.db2.gz DNDAYUPLNBSOFY-ZDUSSCGKSA-N 1 0 363.414 2.233 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000048249126 540353766 /nfs/dbraw/zinc/35/37/66/540353766.db2.gz VNXVGFAKHPWEOO-CYBMUJFWSA-N 1 0 352.391 2.410 20 5 FEBDRO Cc1c(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000050802423 540415572 /nfs/dbraw/zinc/41/55/72/540415572.db2.gz DRCRSMSAOCWXEQ-UHFFFAOYSA-N 1 0 360.458 2.192 20 5 FEBDRO Cn1cc(C(=O)NCC[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053514628 540540418 /nfs/dbraw/zinc/54/04/18/540540418.db2.gz QIEZTJLGOIHZHZ-UHFFFAOYSA-N 1 0 357.414 2.211 20 5 FEBDRO COc1ccc(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000053992220 540563281 /nfs/dbraw/zinc/56/32/81/540563281.db2.gz LLGGCMVTYWRIPM-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055406606 540652257 /nfs/dbraw/zinc/65/22/57/540652257.db2.gz ONTPMBPCDFHKOL-CHWSQXEVSA-N 1 0 365.430 2.462 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056197845 540711627 /nfs/dbraw/zinc/71/16/27/540711627.db2.gz DVPCMOXOFVDUTF-UHFFFAOYSA-N 1 0 351.366 2.434 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1OC ZINC000057715256 540811105 /nfs/dbraw/zinc/81/11/05/540811105.db2.gz UYMQTFZHQIBFGD-NSHDSACASA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060950684 541124020 /nfs/dbraw/zinc/12/40/20/541124020.db2.gz HEVLZXVFGJAXCV-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000062265856 541146880 /nfs/dbraw/zinc/14/68/80/541146880.db2.gz PLNXXFMHYCFSMA-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000063523682 541172335 /nfs/dbraw/zinc/17/23/35/541172335.db2.gz OWGQTLLGKOJULL-UHFFFAOYSA-N 1 0 362.474 2.406 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067154838 541426236 /nfs/dbraw/zinc/42/62/36/541426236.db2.gz ABXYPEKRQRDHCM-UHFFFAOYSA-N 1 0 372.429 2.120 20 5 FEBDRO Cc1nn(CCC(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000067206627 541433313 /nfs/dbraw/zinc/43/33/13/541433313.db2.gz OSCOZXICOFABSK-INIZCTEOSA-N 1 0 371.441 2.318 20 5 FEBDRO COc1ccc(CC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000067909451 541527902 /nfs/dbraw/zinc/52/79/02/541527902.db2.gz DDTLTDABTMXHPU-QGZVFWFLSA-N 1 0 371.437 2.435 20 5 FEBDRO Cc1sc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068095588 541547918 /nfs/dbraw/zinc/54/79/18/541547918.db2.gz ZXAXYUXHQICSAI-NSHDSACASA-N 1 0 353.444 2.290 20 5 FEBDRO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000068365255 541582810 /nfs/dbraw/zinc/58/28/10/541582810.db2.gz ISNDFUTWZGRHLZ-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000068773008 541626552 /nfs/dbraw/zinc/62/65/52/541626552.db2.gz JOLUKYKMCQDYGI-UHFFFAOYSA-N 1 0 357.414 2.108 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069034481 541650451 /nfs/dbraw/zinc/65/04/51/541650451.db2.gz YEUFKNBZEPFRPP-AWEZNQCLSA-N 1 0 350.419 2.147 20 5 FEBDRO Cc1nn(CCC(=O)NCc2ccc(C[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000069368951 541680880 /nfs/dbraw/zinc/68/08/80/541680880.db2.gz UZBSJMMOVLPSDS-UHFFFAOYSA-N 1 0 359.430 2.176 20 5 FEBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000069410095 541684457 /nfs/dbraw/zinc/68/44/57/541684457.db2.gz SDXINLQLVQKXTR-HNNXBMFYSA-N 1 0 364.446 2.395 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069745364 541709648 /nfs/dbraw/zinc/70/96/48/541709648.db2.gz UFRKRIFNVKVCCZ-KXPUMZMLSA-N 1 0 359.426 2.179 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072716588 541855318 /nfs/dbraw/zinc/85/53/18/541855318.db2.gz MSDHPRINCPNJQZ-MRXNPFEDSA-N 1 0 367.471 2.088 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000072716915 541857035 /nfs/dbraw/zinc/85/70/35/541857035.db2.gz OTIKDTVVJUIECQ-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072834499 541876794 /nfs/dbraw/zinc/87/67/94/541876794.db2.gz RDJLPYLCZVEZNW-OAHLLOKOSA-N 1 0 362.430 2.309 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000073361114 541947034 /nfs/dbraw/zinc/94/70/34/541947034.db2.gz BLSSSMDGEVWSIG-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074448494 542085830 /nfs/dbraw/zinc/08/58/30/542085830.db2.gz PNBBIDDIZYTKQC-KRWDZBQOSA-N 1 0 371.441 2.304 20 5 FEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000074971134 542142919 /nfs/dbraw/zinc/14/29/19/542142919.db2.gz GCTOEOBKYLYGBI-CMPLNLGQSA-N 1 0 359.835 2.105 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898749 542214421 /nfs/dbraw/zinc/21/44/21/542214421.db2.gz BECHKYATCMYMMA-HKUYNNGSSA-N 1 0 360.410 2.390 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000076329628 542261437 /nfs/dbraw/zinc/26/14/37/542261437.db2.gz FQNOYARBDBXPNO-OAHLLOKOSA-N 1 0 350.419 2.262 20 5 FEBDRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000077324139 542367322 /nfs/dbraw/zinc/36/73/22/542367322.db2.gz FBYPWHYZEQYQAU-UHFFFAOYSA-N 1 0 359.361 2.133 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000081128381 542635459 /nfs/dbraw/zinc/63/54/59/542635459.db2.gz SGVSSJNIAJWCMC-QGZVFWFLSA-N 1 0 371.441 2.223 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089933237 542775747 /nfs/dbraw/zinc/77/57/47/542775747.db2.gz XSDTVMGIVKAKLX-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO COC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000090652689 542787816 /nfs/dbraw/zinc/78/78/16/542787816.db2.gz KKTZYZXOGITHMV-CYBMUJFWSA-N 1 0 351.403 2.097 20 5 FEBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093813448 542941475 /nfs/dbraw/zinc/94/14/75/542941475.db2.gz LYJKPZRGZNHKPJ-SFHVURJKSA-N 1 0 358.398 2.380 20 5 FEBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000097251472 543008469 /nfs/dbraw/zinc/00/84/69/543008469.db2.gz ZIAQPPVDGRBQPI-ZDUSSCGKSA-N 1 0 361.427 2.399 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092045 543091776 /nfs/dbraw/zinc/09/17/76/543091776.db2.gz LTLKAXBCAQQCFP-INIZCTEOSA-N 1 0 363.462 2.296 20 5 FEBDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104672754 543136954 /nfs/dbraw/zinc/13/69/54/543136954.db2.gz QZADNAMZLAOWSQ-HNNXBMFYSA-N 1 0 358.398 2.393 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107892530 543281035 /nfs/dbraw/zinc/28/10/35/543281035.db2.gz AUGPTXOMSKLPJO-AWEZNQCLSA-N 1 0 367.471 2.295 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000108340716 543286912 /nfs/dbraw/zinc/28/69/12/543286912.db2.gz ZMXGUVUYMQRXKM-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1SC ZINC000108341923 543287130 /nfs/dbraw/zinc/28/71/30/543287130.db2.gz CDZBKZSOYLLNRR-NSHDSACASA-N 1 0 353.444 2.397 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000108401795 543288963 /nfs/dbraw/zinc/28/89/63/543288963.db2.gz XVVAKCFTDKZLQW-KRWDZBQOSA-N 1 0 367.471 2.375 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000108784897 543302790 /nfs/dbraw/zinc/30/27/90/543302790.db2.gz NUPPSAVNGADNHG-HNNXBMFYSA-N 1 0 372.469 2.412 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000109248851 543318916 /nfs/dbraw/zinc/31/89/16/543318916.db2.gz HYYMTHDEDJPVPO-UHFFFAOYSA-N 1 0 371.393 2.164 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000110652552 543364148 /nfs/dbraw/zinc/36/41/48/543364148.db2.gz UZXRCGYYRKARFS-MRXNPFEDSA-N 1 0 371.441 2.138 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000111301439 543394501 /nfs/dbraw/zinc/39/45/01/543394501.db2.gz YIUQKDPKYUPZDF-SFHVURJKSA-N 1 0 363.458 2.331 20 5 FEBDRO CCC[N@@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000114462841 543517607 /nfs/dbraw/zinc/51/76/07/543517607.db2.gz VDFMXHBBZOOYSR-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115432663 543566765 /nfs/dbraw/zinc/56/67/65/543566765.db2.gz WGQIDUMTCQHGLR-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247477461 549339845 /nfs/dbraw/zinc/33/98/45/549339845.db2.gz SNBPUIWIOPPKRE-CXAGYDPISA-N 1 0 357.414 2.193 20 5 FEBDRO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119429209 543666889 /nfs/dbraw/zinc/66/68/89/543666889.db2.gz XOOAAKRTAOADQD-XJKSGUPXSA-N 1 0 361.446 2.002 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124328902 543814055 /nfs/dbraw/zinc/81/40/55/543814055.db2.gz QZHYAGRBVHBCOE-CYBMUJFWSA-N 1 0 351.451 2.368 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@@H+]1C ZINC000124667316 543835846 /nfs/dbraw/zinc/83/58/46/543835846.db2.gz CHYVQKBAHWVQJZ-DYVFJYSZSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000125374113 543877993 /nfs/dbraw/zinc/87/79/93/543877993.db2.gz FIDNUDWDQSEAPU-RDTXWAMCSA-N 1 0 359.426 2.449 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000127744245 544011411 /nfs/dbraw/zinc/01/14/11/544011411.db2.gz GMMROPCAQOHUKX-AWEZNQCLSA-N 1 0 363.462 2.445 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)c2)CC1 ZINC000129378502 544108381 /nfs/dbraw/zinc/10/83/81/544108381.db2.gz OLBRQPIKVNWWNE-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000130641497 544159252 /nfs/dbraw/zinc/15/92/52/544159252.db2.gz INVRBEHLYQWUNK-KBPBESRZSA-N 1 0 355.460 2.135 20 5 FEBDRO CCC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000130933231 544171383 /nfs/dbraw/zinc/17/13/83/544171383.db2.gz BBWOMEMDVJIDNY-INIZCTEOSA-N 1 0 367.421 2.236 20 5 FEBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131457607 544190858 /nfs/dbraw/zinc/19/08/58/544190858.db2.gz FVOPTILTMJOWLU-OAHLLOKOSA-N 1 0 366.849 2.162 20 5 FEBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1COc2ccccc2O1 ZINC000131155632 544178893 /nfs/dbraw/zinc/17/88/93/544178893.db2.gz WPMHYKCZFAXZBE-MRXNPFEDSA-N 1 0 373.409 2.309 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531787 544194413 /nfs/dbraw/zinc/19/44/13/544194413.db2.gz NHMOBHMWYRHRET-CZUORRHYSA-N 1 0 371.441 2.277 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000132868193 544246784 /nfs/dbraw/zinc/24/67/84/544246784.db2.gz HPYADTASOJRRNQ-KBPBESRZSA-N 1 0 365.478 2.363 20 5 FEBDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134467394 544309749 /nfs/dbraw/zinc/30/97/49/544309749.db2.gz DJTRRHVRIYYVIE-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000138556339 544396601 /nfs/dbraw/zinc/39/66/01/544396601.db2.gz NIJOGBLMEGKCLA-CYBMUJFWSA-N 1 0 367.471 2.302 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000136897962 544380901 /nfs/dbraw/zinc/38/09/01/544380901.db2.gz SAQLRQAECIEPHQ-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150968961 544491975 /nfs/dbraw/zinc/49/19/75/544491975.db2.gz CZXKBRMWOCJWBU-OCCSQVGLSA-N 1 0 362.386 2.368 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000150746657 544466761 /nfs/dbraw/zinc/46/67/61/544466761.db2.gz BVTKOGUDHYVRHU-MRXNPFEDSA-N 1 0 363.462 2.275 20 5 FEBDRO COc1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000150777164 544469145 /nfs/dbraw/zinc/46/91/45/544469145.db2.gz UDLVNGWTEQKFHA-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151644763 544565327 /nfs/dbraw/zinc/56/53/27/544565327.db2.gz FVXBWWJCNAFLBC-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO C[NH+](C)CC1CCC(NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000151738110 544574693 /nfs/dbraw/zinc/57/46/93/544574693.db2.gz KHJZLNYPWLFQCH-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000151867592 544589984 /nfs/dbraw/zinc/58/99/84/544589984.db2.gz SCOSNZNZTMSBQM-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775772 544822106 /nfs/dbraw/zinc/82/21/06/544822106.db2.gz JFTYSUBUCHXPEC-QXGSTGNESA-N 1 0 363.458 2.202 20 5 FEBDRO Cc1noc(C)c1CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154498782 544913580 /nfs/dbraw/zinc/91/35/80/544913580.db2.gz SQLQSGXJPSHNHA-SFHVURJKSA-N 1 0 360.414 2.051 20 5 FEBDRO CC1CC[NH+](C[C@@H](O)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553058988 674235787 /nfs/dbraw/zinc/23/57/87/674235787.db2.gz XTQBDQKMXLBBQL-NSHDSACASA-N 1 0 351.432 2.104 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180046571 327669064 /nfs/dbraw/zinc/66/90/64/327669064.db2.gz ZNSHPCGQMLUPFR-INIZCTEOSA-N 1 0 369.487 2.131 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186433353 327961870 /nfs/dbraw/zinc/96/18/70/327961870.db2.gz RNKPGMFANSCGGU-LBPRGKRZSA-N 1 0 353.806 2.043 20 5 FEBDRO Cc1c(C(=O)N(C)CC2([NH+](C)C)CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000186998445 327996200 /nfs/dbraw/zinc/99/62/00/327996200.db2.gz LDAOASIGBZSZSQ-UHFFFAOYSA-N 1 0 372.429 2.040 20 5 FEBDRO CSc1cccc(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000187095138 328001951 /nfs/dbraw/zinc/00/19/51/328001951.db2.gz HHYQGEIREKUGDP-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO CC[C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187609771 328035843 /nfs/dbraw/zinc/03/58/43/328035843.db2.gz YWNOKBTWZBSGGT-SFHVURJKSA-N 1 0 365.430 2.417 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187903603 328053453 /nfs/dbraw/zinc/05/34/53/328053453.db2.gz MIVMSQVSNMEIAL-FZKQIMNGSA-N 1 0 365.430 2.415 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000188230649 328074504 /nfs/dbraw/zinc/07/45/04/328074504.db2.gz CESIRAHINVWKNL-UHFFFAOYSA-N 1 0 368.821 2.129 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189078935 328127342 /nfs/dbraw/zinc/12/73/42/328127342.db2.gz YUSIKZIKTYRYBH-UHFFFAOYSA-N 1 0 355.398 2.218 20 5 FEBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000190024967 328183227 /nfs/dbraw/zinc/18/32/27/328183227.db2.gz MRNTYZGRONDKMZ-NVXWUHKLSA-N 1 0 356.394 2.398 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000191652024 328276035 /nfs/dbraw/zinc/27/60/35/328276035.db2.gz QXOTXCISNLSLQI-GOSISDBHSA-N 1 0 365.430 2.415 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000191688580 328277148 /nfs/dbraw/zinc/27/71/48/328277148.db2.gz LICBLHHVKYNEGQ-WFASDCNBSA-N 1 0 366.368 2.310 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191710676 328278226 /nfs/dbraw/zinc/27/82/26/328278226.db2.gz UXODXLKRVJRREQ-DZGCQCFKSA-N 1 0 357.414 2.062 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000191889056 328287034 /nfs/dbraw/zinc/28/70/34/328287034.db2.gz MAPVLEUBGVPMGR-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192674753 328332388 /nfs/dbraw/zinc/33/23/88/328332388.db2.gz UQTUWNNDVHJSSI-MRXNPFEDSA-N 1 0 355.460 2.233 20 5 FEBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000192884280 328344988 /nfs/dbraw/zinc/34/49/88/328344988.db2.gz PHISQLOHRKUAIL-CYBMUJFWSA-N 1 0 362.430 2.158 20 5 FEBDRO COc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000193622303 328386125 /nfs/dbraw/zinc/38/61/25/328386125.db2.gz LYKGBVXDTVWQKK-BETUJISGSA-N 1 0 371.384 2.241 20 5 FEBDRO [NH3+][C@H]1CCCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000195114561 328456765 /nfs/dbraw/zinc/45/67/65/328456765.db2.gz UGPXFOQULLYYKG-NSHDSACASA-N 1 0 360.336 2.365 20 5 FEBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000080717422 325141196 /nfs/dbraw/zinc/14/11/96/325141196.db2.gz QMMCLISERMEZBF-YHWZYXNKSA-N 1 0 370.409 2.181 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000081329729 325170097 /nfs/dbraw/zinc/17/00/97/325170097.db2.gz UGMBBISLXIOALA-CYBMUJFWSA-N 1 0 363.414 2.185 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081516148 325180156 /nfs/dbraw/zinc/18/01/56/325180156.db2.gz NTQOCDPEHOQQSE-HNNXBMFYSA-N 1 0 360.458 2.148 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000083025688 325210527 /nfs/dbraw/zinc/21/05/27/325210527.db2.gz WJTYTIUSLKUWCA-KBPBESRZSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)nnn1C1CC[NH2+]CC1 ZINC000237767767 328527850 /nfs/dbraw/zinc/52/78/50/328527850.db2.gz GXCCSBFJECDZRE-UHFFFAOYSA-N 1 0 372.429 2.084 20 5 FEBDRO CCOc1cc(N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000089265548 325309430 /nfs/dbraw/zinc/30/94/30/325309430.db2.gz WHLGSHCATFPSHT-ZDUSSCGKSA-N 1 0 351.403 2.067 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000237868589 328532012 /nfs/dbraw/zinc/53/20/12/328532012.db2.gz YKHJLXOMNSHSID-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000090554323 325363527 /nfs/dbraw/zinc/36/35/27/325363527.db2.gz RKLPGJPAVFDEFK-GOSISDBHSA-N 1 0 357.410 2.128 20 5 FEBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238117865 328541722 /nfs/dbraw/zinc/54/17/22/328541722.db2.gz QYIPQNMWWKRZJN-UHFFFAOYSA-N 1 0 372.425 2.479 20 5 FEBDRO O=C(CN1CCC[C@H]([NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000108378196 325641207 /nfs/dbraw/zinc/64/12/07/325641207.db2.gz HDQDWJYXJOUNHL-SFHVURJKSA-N 1 0 372.469 2.434 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000118113015 326082154 /nfs/dbraw/zinc/08/21/54/326082154.db2.gz BBTNCUGOFRZNLX-AWEZNQCLSA-N 1 0 362.430 2.078 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118792961 326102705 /nfs/dbraw/zinc/10/27/05/326102705.db2.gz GJOUQMHZNJDTNK-AWEZNQCLSA-N 1 0 363.462 2.298 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000119129357 326129771 /nfs/dbraw/zinc/12/97/71/326129771.db2.gz USSJJAAGNMFJIH-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119429524 326161615 /nfs/dbraw/zinc/16/16/15/326161615.db2.gz LMMBOPORECPHNB-OAHLLOKOSA-N 1 0 372.429 2.236 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119429383 326161651 /nfs/dbraw/zinc/16/16/51/326161651.db2.gz LMMBOPORECPHNB-HNNXBMFYSA-N 1 0 372.429 2.236 20 5 FEBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120203115 326240412 /nfs/dbraw/zinc/24/04/12/326240412.db2.gz YEOVLKKMGHAJIU-LLLHUVSDSA-N 1 0 350.415 2.080 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000120866337 326294720 /nfs/dbraw/zinc/29/47/20/326294720.db2.gz LBMMXFDBSVWLQP-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709456 326360321 /nfs/dbraw/zinc/36/03/21/326360321.db2.gz ZQTSHZBYIPIHEX-CYBMUJFWSA-N 1 0 374.441 2.317 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000121766488 326365179 /nfs/dbraw/zinc/36/51/79/326365179.db2.gz ICNBWMBSQXCXCN-CQSZACIVSA-N 1 0 374.441 2.317 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000121859338 326372129 /nfs/dbraw/zinc/37/21/29/326372129.db2.gz NWYUYFDKTINGLP-ZDUSSCGKSA-N 1 0 362.430 2.080 20 5 FEBDRO Cc1cc(C(=O)NCc2cccnc2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000121958679 326378311 /nfs/dbraw/zinc/37/83/11/326378311.db2.gz CUXLLMVULCZXDJ-UHFFFAOYSA-N 1 0 356.382 2.065 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000121969810 326378975 /nfs/dbraw/zinc/37/89/75/326378975.db2.gz GRBQEERAUDKRSA-GDBMZVCRSA-N 1 0 374.441 2.093 20 5 FEBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000122389158 326394784 /nfs/dbraw/zinc/39/47/84/326394784.db2.gz DLRBJFVYZULPAH-UHFFFAOYSA-N 1 0 357.414 2.065 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000126764671 326494741 /nfs/dbraw/zinc/49/47/41/326494741.db2.gz IZWDEWBOYNRCIC-MRXNPFEDSA-N 1 0 359.382 2.148 20 5 FEBDRO Cc1c(CC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000128777012 326529639 /nfs/dbraw/zinc/52/96/39/326529639.db2.gz IIGARWPYUJGLJG-GJZGRUSLSA-N 1 0 363.458 2.451 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000129189732 326536188 /nfs/dbraw/zinc/53/61/88/326536188.db2.gz SKXZJIYJAYPVIX-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO O=C(COc1c(Cl)cccc1[N+](=O)[O-])NC1CC[NH+](C2CC2)CC1 ZINC000130446304 326557077 /nfs/dbraw/zinc/55/70/77/326557077.db2.gz GCRJCFDUJXWEEK-UHFFFAOYSA-N 1 0 353.806 2.370 20 5 FEBDRO COc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000150797721 326668204 /nfs/dbraw/zinc/66/82/04/326668204.db2.gz HKOXZOAPYUCHMS-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000150806493 326668461 /nfs/dbraw/zinc/66/84/61/326668461.db2.gz VHAUDRURLIEWDR-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000151636173 326687458 /nfs/dbraw/zinc/68/74/58/326687458.db2.gz MMADNHHGBLZCEL-HNNXBMFYSA-N 1 0 367.471 2.318 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000153385485 326731544 /nfs/dbraw/zinc/73/15/44/326731544.db2.gz PPWJEJGPTVOYMU-IBGZPJMESA-N 1 0 373.409 2.430 20 5 FEBDRO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)[NH2+]1 ZINC000153590455 326737102 /nfs/dbraw/zinc/73/71/02/326737102.db2.gz FRPVTEFOMFNRHU-NXEZZACHSA-N 1 0 356.220 2.109 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000154147120 326752462 /nfs/dbraw/zinc/75/24/62/326752462.db2.gz VCRPPZUZZLBRLC-YPMHNXCESA-N 1 0 353.444 2.175 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155108424 326778086 /nfs/dbraw/zinc/77/80/86/326778086.db2.gz MTVNBFIEHLSVTQ-OAHLLOKOSA-N 1 0 355.460 2.088 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000157300595 326861453 /nfs/dbraw/zinc/86/14/53/326861453.db2.gz QRWGERQGTYNQJI-UHFFFAOYSA-N 1 0 373.409 2.270 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160197153 326956800 /nfs/dbraw/zinc/95/68/00/326956800.db2.gz MGAWHKWTXPVURZ-ROUUACIJSA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160197016 326956889 /nfs/dbraw/zinc/95/68/89/326956889.db2.gz MGAWHKWTXPVURZ-MSOLQXFVSA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000161959162 327013353 /nfs/dbraw/zinc/01/33/53/327013353.db2.gz UITFTOXESQSKFA-LLVKDONJSA-N 1 0 355.441 2.285 20 5 FEBDRO CCCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC[NH2+]CC1 ZINC000163318080 327048879 /nfs/dbraw/zinc/04/88/79/327048879.db2.gz MAPBVBFMZMEXJT-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000166298345 327081245 /nfs/dbraw/zinc/08/12/45/327081245.db2.gz STTQXBQAMRZRGN-UHFFFAOYSA-N 1 0 355.460 2.337 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171859992 327165965 /nfs/dbraw/zinc/16/59/65/327165965.db2.gz IESQXLLKIFSCID-UHFFFAOYSA-N 1 0 358.398 2.042 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000172232540 327188570 /nfs/dbraw/zinc/18/85/70/327188570.db2.gz RSZHXTMEOQWLIY-UHFFFAOYSA-N 1 0 351.451 2.464 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000172312419 327195081 /nfs/dbraw/zinc/19/50/81/327195081.db2.gz FYMXWEOUNHHLOE-UHFFFAOYSA-N 1 0 367.793 2.024 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000172485192 327203787 /nfs/dbraw/zinc/20/37/87/327203787.db2.gz AUMPGGCGFNOZAS-RDJZCZTQSA-N 1 0 371.441 2.303 20 5 FEBDRO CN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)([NH+]2CCCCC2)CC1 ZINC000172755167 327217175 /nfs/dbraw/zinc/21/71/75/327217175.db2.gz FDFKMXHWTCWCFT-UHFFFAOYSA-N 1 0 360.458 2.275 20 5 FEBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1([NH+]2CCOCC2)CCCC1 ZINC000173176776 327239383 /nfs/dbraw/zinc/23/93/83/327239383.db2.gz YXUSCFOOAFHPMP-OAHLLOKOSA-N 1 0 361.442 2.287 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000173263019 327244878 /nfs/dbraw/zinc/24/48/78/327244878.db2.gz VBKLUZDOGPKLOT-MRXNPFEDSA-N 1 0 363.462 2.179 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000173515703 327262950 /nfs/dbraw/zinc/26/29/50/327262950.db2.gz BKOULAHEPNDUKL-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000173614552 327271299 /nfs/dbraw/zinc/27/12/99/327271299.db2.gz KXLNTFMXAGVWDU-ZDUSSCGKSA-N 1 0 359.430 2.277 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173830069 327287390 /nfs/dbraw/zinc/28/73/90/327287390.db2.gz DPKORCGBQZHCGC-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173831789 327287512 /nfs/dbraw/zinc/28/75/12/327287512.db2.gz WOHPZSBDZABNIV-VXGBXAGGSA-N 1 0 373.862 2.496 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000174023402 327302093 /nfs/dbraw/zinc/30/20/93/327302093.db2.gz MVDGDLDVNBORDL-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000174405448 327325123 /nfs/dbraw/zinc/32/51/23/327325123.db2.gz LYDNVPMUFHURIV-UHFFFAOYSA-N 1 0 360.458 2.364 20 5 FEBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000174751314 327348407 /nfs/dbraw/zinc/34/84/07/327348407.db2.gz XFPVNKURQBJLEX-IEBWSBKVSA-N 1 0 358.442 2.422 20 5 FEBDRO CC(C)COC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802221 327351928 /nfs/dbraw/zinc/35/19/28/327351928.db2.gz QVKQRXHXOMNQEX-INIZCTEOSA-N 1 0 352.431 2.472 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000175168556 327378067 /nfs/dbraw/zinc/37/80/67/327378067.db2.gz OBMVWDOLOIZJAS-UHFFFAOYSA-N 1 0 351.451 2.125 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000175399804 327390697 /nfs/dbraw/zinc/39/06/97/327390697.db2.gz FGONNUVPFYWYBY-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000175440865 327393222 /nfs/dbraw/zinc/39/32/22/327393222.db2.gz GZUQHTZLVWTNSX-STQMWFEESA-N 1 0 350.375 2.414 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000177137265 327500651 /nfs/dbraw/zinc/50/06/51/327500651.db2.gz XBMRCYZBVGBAGU-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262188384 328849563 /nfs/dbraw/zinc/84/95/63/328849563.db2.gz JJRIDIAXGLSATQ-MRXNPFEDSA-N 1 0 361.423 2.069 20 5 FEBDRO Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000262665583 328879655 /nfs/dbraw/zinc/87/96/55/328879655.db2.gz PILGQMLPNZIBRV-PBHICJAKSA-N 1 0 355.398 2.011 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000265082194 329088638 /nfs/dbraw/zinc/08/86/38/329088638.db2.gz QQMRXAMFRVNYJI-WDEREUQCSA-N 1 0 351.794 2.450 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000265242474 329106213 /nfs/dbraw/zinc/10/62/13/329106213.db2.gz UJTKHBBRERTROY-UHFFFAOYSA-N 1 0 355.460 2.397 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294709 329111578 /nfs/dbraw/zinc/11/15/78/329111578.db2.gz NGEPJGIIRBAJKD-CVEARBPZSA-N 1 0 356.382 2.205 20 5 FEBDRO Cc1[nH]nc(C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000265381906 329120868 /nfs/dbraw/zinc/12/08/68/329120868.db2.gz QJNWTRXGGZOMAL-UHFFFAOYSA-N 1 0 367.793 2.472 20 5 FEBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000265492307 329132727 /nfs/dbraw/zinc/13/27/27/329132727.db2.gz KUTLVPPLEVWKOX-LBPRGKRZSA-N 1 0 350.375 2.416 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265965364 329177310 /nfs/dbraw/zinc/17/73/10/329177310.db2.gz RZCIJYHMBBHQEZ-ZDUSSCGKSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1OC ZINC000266378569 329216727 /nfs/dbraw/zinc/21/67/27/329216727.db2.gz SWAWBMWKVZDRDO-AGUYFDCRSA-N 1 0 363.414 2.357 20 5 FEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000266648339 329245656 /nfs/dbraw/zinc/24/56/56/329245656.db2.gz NDAPOBXNQYEFEK-AWEZNQCLSA-N 1 0 373.413 2.151 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000266908275 329271591 /nfs/dbraw/zinc/27/15/91/329271591.db2.gz ILJHZTSFZMATQJ-OAHLLOKOSA-N 1 0 362.382 2.181 20 5 FEBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000267164787 329298476 /nfs/dbraw/zinc/29/84/76/329298476.db2.gz GMYXRGARQYPTIL-UHFFFAOYSA-N 1 0 368.459 2.061 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000268087597 329383686 /nfs/dbraw/zinc/38/36/86/329383686.db2.gz RYVTXRDILTXIGH-QGZVFWFLSA-N 1 0 360.389 2.471 20 5 FEBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270790128 329632022 /nfs/dbraw/zinc/63/20/22/329632022.db2.gz LTTPFIPJIDAFJT-GFCCVEGCSA-N 1 0 367.833 2.479 20 5 FEBDRO CS[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271114847 329663664 /nfs/dbraw/zinc/66/36/64/329663664.db2.gz QNRVDCCDFFKNIG-WDEREUQCSA-N 1 0 361.265 2.234 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000272535281 329789416 /nfs/dbraw/zinc/78/94/16/329789416.db2.gz NALIYUFPKBGGQD-CHWSQXEVSA-N 1 0 371.384 2.302 20 5 FEBDRO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000272971097 329827326 /nfs/dbraw/zinc/82/73/26/329827326.db2.gz VJOQMZMHXDLNAF-UHFFFAOYSA-N 1 0 350.396 2.167 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000273968476 329906093 /nfs/dbraw/zinc/90/60/93/329906093.db2.gz HHSKAJRQVSJSLS-AAEUAGOBSA-N 1 0 351.403 2.409 20 5 FEBDRO O=C(CCN1CC[NH+](C2CCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275454685 330050645 /nfs/dbraw/zinc/05/06/45/330050645.db2.gz IYIOGFSVAIODME-UHFFFAOYSA-N 1 0 350.394 2.233 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275539905 330061410 /nfs/dbraw/zinc/06/14/10/330061410.db2.gz MNTWTMXEMINTAR-UONOGXRCSA-N 1 0 357.414 2.361 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCC2)CC1 ZINC000297128172 330194498 /nfs/dbraw/zinc/19/44/98/330194498.db2.gz ROCYSTBRMVNUTG-UHFFFAOYSA-N 1 0 361.446 2.323 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000367038862 330210154 /nfs/dbraw/zinc/21/01/54/330210154.db2.gz RSWQSHBHSFXZIP-YOEHRIQHSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)[C@H]1CCCSC1 ZINC000433183108 330275158 /nfs/dbraw/zinc/27/51/58/330275158.db2.gz RJPVNBXYRYZDST-HNNXBMFYSA-N 1 0 367.471 2.422 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000555228831 674352419 /nfs/dbraw/zinc/35/24/19/674352419.db2.gz KJNFBXITDGUBDD-UHFFFAOYSA-N 1 0 370.475 2.181 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000156198419 545607080 /nfs/dbraw/zinc/60/70/80/545607080.db2.gz DCVOWOVWSTZAOH-YUMQZZPRSA-N 1 0 368.242 2.273 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000157626966 545763406 /nfs/dbraw/zinc/76/34/06/545763406.db2.gz OERDRVHUCTYORC-UHFFFAOYSA-N 1 0 350.419 2.214 20 5 FEBDRO Cn1c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)ccc1[N+](=O)[O-] ZINC000478316774 561164202 /nfs/dbraw/zinc/16/42/02/561164202.db2.gz SQYBIFOEGHZSME-UHFFFAOYSA-N 1 0 372.429 2.111 20 5 FEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000478583244 561170238 /nfs/dbraw/zinc/17/02/38/561170238.db2.gz GWLQCMAXZSSDMS-QWHCGFSZSA-N 1 0 363.414 2.359 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000161126175 546103331 /nfs/dbraw/zinc/10/33/31/546103331.db2.gz OZJACOMEQACDJQ-IUCAKERBSA-N 1 0 359.329 2.205 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000162520054 546140538 /nfs/dbraw/zinc/14/05/38/546140538.db2.gz OFXMVKCPJQNRLV-UHFFFAOYSA-N 1 0 352.192 2.249 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN([C@@H]3C=CCCC3)CC2)c1 ZINC000171278315 546201021 /nfs/dbraw/zinc/20/10/21/546201021.db2.gz GKCQQAUUJPXUQA-CQSZACIVSA-N 1 0 351.428 2.010 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000479966659 561200390 /nfs/dbraw/zinc/20/03/90/561200390.db2.gz PFQDJSNSOVGLIZ-UHFFFAOYSA-N 1 0 351.451 2.058 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000480513443 561211051 /nfs/dbraw/zinc/21/10/51/561211051.db2.gz CVJWGPUIFNBJIA-CQSZACIVSA-N 1 0 370.475 2.309 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000480661310 561213884 /nfs/dbraw/zinc/21/38/84/561213884.db2.gz ICBWAXXDUFCNOU-ZDUSSCGKSA-N 1 0 360.414 2.418 20 5 FEBDRO C[N@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177057208 546535586 /nfs/dbraw/zinc/53/55/86/546535586.db2.gz AWWWOHAANOVHSJ-UHFFFAOYSA-N 1 0 361.373 2.361 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000480672516 561214156 /nfs/dbraw/zinc/21/41/56/561214156.db2.gz UIFSNWVQHVZHTP-CQSZACIVSA-N 1 0 374.441 2.370 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000177460083 546624245 /nfs/dbraw/zinc/62/42/45/546624245.db2.gz FURFSIRWRZCTAZ-NEPJUHHUSA-N 1 0 358.398 2.039 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000177521470 546636290 /nfs/dbraw/zinc/63/62/90/546636290.db2.gz WIJPAQUVMRXDGJ-CJNGLKHVSA-N 1 0 357.414 2.383 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177762673 546682132 /nfs/dbraw/zinc/68/21/32/546682132.db2.gz MMUHMOANZUSMDX-ZIAGYGMSSA-N 1 0 362.430 2.101 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000178002556 546721320 /nfs/dbraw/zinc/72/13/20/546721320.db2.gz KPOVSFQFQZVJKS-WDEREUQCSA-N 1 0 368.821 2.176 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000178013159 546722955 /nfs/dbraw/zinc/72/29/55/546722955.db2.gz YSOPVYZVGFYLPC-JQWIXIFHSA-N 1 0 368.821 2.176 20 5 FEBDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3N)c2)CC1 ZINC000178178541 546752618 /nfs/dbraw/zinc/75/26/18/546752618.db2.gz CYKZLKNPZRIORM-UHFFFAOYSA-N 1 0 369.425 2.177 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000179766157 547010503 /nfs/dbraw/zinc/01/05/03/547010503.db2.gz WUONQDAFHYUCLT-UHFFFAOYSA-N 1 0 367.471 2.236 20 5 FEBDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004952 547037463 /nfs/dbraw/zinc/03/74/63/547037463.db2.gz HXFFOEMQQZTXNV-RISCZKNCSA-N 1 0 359.386 2.252 20 5 FEBDRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000180062466 547045853 /nfs/dbraw/zinc/04/58/53/547045853.db2.gz SDIFUQQRBNWKGJ-OAHLLOKOSA-N 1 0 355.822 2.221 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000180903568 547206842 /nfs/dbraw/zinc/20/68/42/547206842.db2.gz BOPJTAKXAMFRBU-NSHDSACASA-N 1 0 373.356 2.270 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000483196548 561270083 /nfs/dbraw/zinc/27/00/83/561270083.db2.gz NIJLDVATMYZJDV-UHFFFAOYSA-N 1 0 368.397 2.197 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]CCC2CCCCC2)cc1 ZINC000483251734 561271979 /nfs/dbraw/zinc/27/19/79/561271979.db2.gz FVTBCPRNMOLGLY-UHFFFAOYSA-N 1 0 355.460 2.433 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181290138 547287941 /nfs/dbraw/zinc/28/79/41/547287941.db2.gz XONUNDHLTGCOBM-OAHLLOKOSA-N 1 0 367.413 2.456 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000181458059 547318204 /nfs/dbraw/zinc/31/82/04/547318204.db2.gz LWZJNIVVMRKOEF-AWEZNQCLSA-N 1 0 361.398 2.414 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181484457 547322268 /nfs/dbraw/zinc/32/22/68/547322268.db2.gz AJVQJEFOUYJTMD-CJNGLKHVSA-N 1 0 365.430 2.415 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181901783 547401426 /nfs/dbraw/zinc/40/14/26/547401426.db2.gz NJCQOTUBHMOGIY-IRXDYDNUSA-N 1 0 363.458 2.285 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000182008869 547421252 /nfs/dbraw/zinc/42/12/52/547421252.db2.gz AGOUHWMQMFERPR-LBPRGKRZSA-N 1 0 366.381 2.125 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000182099599 547437312 /nfs/dbraw/zinc/43/73/12/547437312.db2.gz SWPRIYHOCRUNFZ-LBPRGKRZSA-N 1 0 355.822 2.317 20 5 FEBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000182303286 547469982 /nfs/dbraw/zinc/46/99/82/547469982.db2.gz AUOJLZKDBGRFNC-UHFFFAOYSA-N 1 0 361.398 2.460 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183400225 547650987 /nfs/dbraw/zinc/65/09/87/547650987.db2.gz LYKMZXYXTUNYFR-GOSISDBHSA-N 1 0 369.421 2.400 20 5 FEBDRO CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000184567644 547847133 /nfs/dbraw/zinc/84/71/33/547847133.db2.gz HVOJZKAGMKFTOM-LJQANCHMSA-N 1 0 370.453 2.446 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)CN1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000184607488 547853599 /nfs/dbraw/zinc/85/35/99/547853599.db2.gz TTXJTWCSUXRDJN-LJQANCHMSA-N 1 0 368.437 2.376 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184730914 547871608 /nfs/dbraw/zinc/87/16/08/547871608.db2.gz NFKPJBLMZWTUBG-UHFFFAOYSA-N 1 0 358.826 2.016 20 5 FEBDRO CCOC(=O)c1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000184827228 547883837 /nfs/dbraw/zinc/88/38/37/547883837.db2.gz BZSSOYKSENUFJU-CQSZACIVSA-N 1 0 364.446 2.209 20 5 FEBDRO O=C([C@@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000185158281 547942968 /nfs/dbraw/zinc/94/29/68/547942968.db2.gz HPEHMRQZJBZETD-LJQANCHMSA-N 1 0 369.421 2.155 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)CC1CCCCC1 ZINC000485877524 561330817 /nfs/dbraw/zinc/33/08/17/561330817.db2.gz SDXMAUVAKKVSPG-INIZCTEOSA-N 1 0 352.431 2.209 20 5 FEBDRO CSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186934222 548222591 /nfs/dbraw/zinc/22/25/91/548222591.db2.gz GMIFSQDCUBPWTM-GFCCVEGCSA-N 1 0 367.471 2.234 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000194031640 548425321 /nfs/dbraw/zinc/42/53/21/548425321.db2.gz FSBCBUVNZVENDS-KRWDZBQOSA-N 1 0 370.409 2.336 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891646 561358975 /nfs/dbraw/zinc/35/89/75/561358975.db2.gz DCRSIQIDBSZXLH-VXGBXAGGSA-N 1 0 364.402 2.246 20 5 FEBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000236637245 548770005 /nfs/dbraw/zinc/77/00/05/548770005.db2.gz QEPODTGPEVNSIR-NSHDSACASA-N 1 0 358.236 2.389 20 5 FEBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237862064 548859040 /nfs/dbraw/zinc/85/90/40/548859040.db2.gz IUVLLDUOZKHQFV-VIFPVBQESA-N 1 0 368.242 2.404 20 5 FEBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000238064576 548876027 /nfs/dbraw/zinc/87/60/27/548876027.db2.gz CLBAJYKGPMRKDV-JTQLQIEISA-N 1 0 361.320 2.347 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000487819231 561376660 /nfs/dbraw/zinc/37/66/60/561376660.db2.gz PMDAWOQOAURSRY-CYBMUJFWSA-N 1 0 352.822 2.327 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245408330 548908974 /nfs/dbraw/zinc/90/89/74/548908974.db2.gz GQMCWSMQQTVWKY-RYUDHWBXSA-N 1 0 359.386 2.293 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000245632307 548961998 /nfs/dbraw/zinc/96/19/98/548961998.db2.gz UABNMCQRFCLOLC-ZWKOTPCHSA-N 1 0 370.409 2.352 20 5 FEBDRO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000245925864 549021606 /nfs/dbraw/zinc/02/16/06/549021606.db2.gz XLSRYHBMBTXESK-FHLIZLRMSA-N 1 0 359.426 2.104 20 5 FEBDRO Cc1cc(NCC[NH+]2CCSCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488211822 561386139 /nfs/dbraw/zinc/38/61/39/561386139.db2.gz WKKDDYQYYUKQPN-UHFFFAOYSA-N 1 0 359.455 2.243 20 5 FEBDRO O=C1CC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000246225899 549083819 /nfs/dbraw/zinc/08/38/19/549083819.db2.gz FIDNUDWDQSEAPU-KBXCAEBGSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000246458114 549137615 /nfs/dbraw/zinc/13/76/15/549137615.db2.gz ABUDMRGVSUMBSF-XJKSGUPXSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488718754 561395266 /nfs/dbraw/zinc/39/52/66/561395266.db2.gz NAMRGMGFEBZWFH-ZDUSSCGKSA-N 1 0 367.471 2.309 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246625022 549177374 /nfs/dbraw/zinc/17/73/74/549177374.db2.gz KCXDKUOWERRCOQ-XJKSGUPXSA-N 1 0 363.414 2.433 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000246842625 549226027 /nfs/dbraw/zinc/22/60/27/549226027.db2.gz VHHUQTONEIYHFG-LSDHHAIUSA-N 1 0 372.429 2.234 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000246894104 549237894 /nfs/dbraw/zinc/23/78/94/549237894.db2.gz FNAHWRYEDNZJHI-TZMCWYRMSA-N 1 0 353.444 2.069 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000247156352 549292517 /nfs/dbraw/zinc/29/25/17/549292517.db2.gz AHQDDULAWOOVJR-LRDDRELGSA-N 1 0 363.443 2.052 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000247933326 549393364 /nfs/dbraw/zinc/39/33/64/549393364.db2.gz CGALQKCVWYYMPZ-KBXCAEBGSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261856472 549762185 /nfs/dbraw/zinc/76/21/85/549762185.db2.gz VYYIUXVTDBRLAI-DLBZAZTESA-N 1 0 354.410 2.268 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261947248 549773161 /nfs/dbraw/zinc/77/31/61/549773161.db2.gz YLSBWYKFDUQCFU-INMHGKMJSA-N 1 0 360.458 2.236 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH3+])CCc1ccccc1 ZINC000262025181 549781513 /nfs/dbraw/zinc/78/15/13/549781513.db2.gz NLCNOFZNURHUBU-UHFFFAOYSA-N 1 0 363.439 2.095 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000262836619 549854542 /nfs/dbraw/zinc/85/45/42/549854542.db2.gz WJAONUFFWURRSW-RYUDHWBXSA-N 1 0 353.444 2.045 20 5 FEBDRO CS[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000490860395 561439273 /nfs/dbraw/zinc/43/92/73/561439273.db2.gz ROROUIMRCZDAST-LSDHHAIUSA-N 1 0 351.472 2.376 20 5 FEBDRO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269222652 550169594 /nfs/dbraw/zinc/16/95/94/550169594.db2.gz SBSUOTWCZXRJET-UHFFFAOYSA-N 1 0 355.350 2.264 20 5 FEBDRO COc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492781064 561452707 /nfs/dbraw/zinc/45/27/07/561452707.db2.gz ACFOLVFGCAZDTC-DOTOQJQBSA-N 1 0 362.474 2.061 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000270648814 550293013 /nfs/dbraw/zinc/29/30/13/550293013.db2.gz LIKWDQWFXTUCDP-HFAKWTLXSA-N 1 0 354.838 2.457 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000270780396 550306157 /nfs/dbraw/zinc/30/61/57/550306157.db2.gz HDUYQHITUVKXIJ-UHFFFAOYSA-N 1 0 351.403 2.127 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271751405 550399596 /nfs/dbraw/zinc/39/95/96/550399596.db2.gz YUJUOVYZELJVDJ-CQSZACIVSA-N 1 0 364.446 2.456 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+]1CCN(C)CC1 ZINC000272564575 550458190 /nfs/dbraw/zinc/45/81/90/550458190.db2.gz URBQNUCPIUFCOS-UHFFFAOYSA-N 1 0 350.463 2.063 20 5 FEBDRO CC(C)N1CCO[C@H](c2noc(CCNc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272668030 550463794 /nfs/dbraw/zinc/46/37/94/550463794.db2.gz PTWFZZLWIHIQBG-HNNXBMFYSA-N 1 0 361.402 2.414 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494637005 561473021 /nfs/dbraw/zinc/47/30/21/561473021.db2.gz ZNQUNHJPZKUMDQ-HUUCEWRRSA-N 1 0 361.423 2.393 20 5 FEBDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n1C ZINC000494515529 561471059 /nfs/dbraw/zinc/47/10/59/561471059.db2.gz YOHNZBXDJGRZCT-LBPRGKRZSA-N 1 0 358.398 2.109 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273512243 550501331 /nfs/dbraw/zinc/50/13/31/550501331.db2.gz XBABSGCLCDXNGY-UHFFFAOYSA-N 1 0 367.425 2.273 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089795 550522600 /nfs/dbraw/zinc/52/26/00/550522600.db2.gz TYLLEFYHHNQXAG-NXEZZACHSA-N 1 0 357.794 2.364 20 5 FEBDRO COc1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc([N+](=O)[O-])c1C ZINC000276881245 550606636 /nfs/dbraw/zinc/60/66/36/550606636.db2.gz LALKCFJCQUQCQN-INIZCTEOSA-N 1 0 353.444 2.079 20 5 FEBDRO COC(=O)C1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000277106642 550632670 /nfs/dbraw/zinc/63/26/70/550632670.db2.gz XKDUPQCZPRRFBT-UHFFFAOYSA-N 1 0 354.382 2.003 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000278555890 550798732 /nfs/dbraw/zinc/79/87/32/550798732.db2.gz MBRDKTSFWLCVFE-STQMWFEESA-N 1 0 350.419 2.130 20 5 FEBDRO C[C@@H]1C[C@@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456386 561488277 /nfs/dbraw/zinc/48/82/77/561488277.db2.gz AJVSFHUEHLRWRW-UKRRQHHQSA-N 1 0 357.414 2.348 20 5 FEBDRO C[NH+]1CCN(CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000280623615 551014557 /nfs/dbraw/zinc/01/45/57/551014557.db2.gz WSVHHGPNHJWJOF-UHFFFAOYSA-N 1 0 368.437 2.485 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496272250 561493333 /nfs/dbraw/zinc/49/33/33/561493333.db2.gz OADDNVYTRHXWHD-HNNXBMFYSA-N 1 0 357.414 2.445 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000281355945 551087823 /nfs/dbraw/zinc/08/78/23/551087823.db2.gz LVHVAWNWBAABES-GFCCVEGCSA-N 1 0 355.439 2.320 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000282657864 551256494 /nfs/dbraw/zinc/25/64/94/551256494.db2.gz GDZCMHXCWONFEJ-QGZVFWFLSA-N 1 0 371.441 2.208 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282849352 551277429 /nfs/dbraw/zinc/27/74/29/551277429.db2.gz WTMLSTMNHQFUSA-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000498076788 561515684 /nfs/dbraw/zinc/51/56/84/561515684.db2.gz SHILSAMNOHHAHL-UHFFFAOYSA-N 1 0 357.414 2.244 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000284135183 551490025 /nfs/dbraw/zinc/49/00/25/551490025.db2.gz VQCVXWQMDITIKP-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284201465 551503235 /nfs/dbraw/zinc/50/32/35/551503235.db2.gz SMSUIXXQLDDESF-ZDUSSCGKSA-N 1 0 364.402 2.188 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000498217222 561519079 /nfs/dbraw/zinc/51/90/79/561519079.db2.gz VDWSQQXDMNZGLO-NEPJUHHUSA-N 1 0 373.356 2.076 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000498390410 561523880 /nfs/dbraw/zinc/52/38/80/561523880.db2.gz NQTXYWYGLFXUMV-UHFFFAOYSA-N 1 0 351.451 2.118 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000285860925 551819965 /nfs/dbraw/zinc/81/99/65/551819965.db2.gz PRVNSDJKDBCAOX-DEANOFPJSA-N 1 0 359.426 2.320 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000286021723 551839745 /nfs/dbraw/zinc/83/97/45/551839745.db2.gz ZOJRHVMZSDPKKG-GXTWGEPZSA-N 1 0 363.414 2.311 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000499124828 561544210 /nfs/dbraw/zinc/54/42/10/561544210.db2.gz OWJHIPXFUAWFAL-ZDUSSCGKSA-N 1 0 367.471 2.038 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000287374226 551995946 /nfs/dbraw/zinc/99/59/46/551995946.db2.gz OHIKYEHIIXNSRQ-UHFFFAOYSA-N 1 0 372.429 2.124 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000288343682 552137289 /nfs/dbraw/zinc/13/72/89/552137289.db2.gz JYHYPHYAGVDPSI-STQMWFEESA-N 1 0 364.421 2.499 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000288380333 552143902 /nfs/dbraw/zinc/14/39/02/552143902.db2.gz VICXAFKKJMASNM-YOEHRIQHSA-N 1 0 371.441 2.269 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000289567476 552342177 /nfs/dbraw/zinc/34/21/77/552342177.db2.gz RMPRUBQDMMOHPU-JOYOIKCWSA-N 1 0 374.178 2.226 20 5 FEBDRO CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289614033 552349676 /nfs/dbraw/zinc/34/96/76/552349676.db2.gz XLRISSDUIBUAGQ-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO Cn1cc(CN2CCO[C@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289616682 552350090 /nfs/dbraw/zinc/35/00/90/552350090.db2.gz WCNOSPAMMFPFQH-LJQANCHMSA-N 1 0 372.425 2.377 20 5 FEBDRO C[C@@]1(C[C@H]2CCC[N@@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623602 552351495 /nfs/dbraw/zinc/35/14/95/552351495.db2.gz LQFFZDTYDIVCEI-SXJDMRHMSA-N 1 0 358.398 2.061 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000289634885 552353649 /nfs/dbraw/zinc/35/36/49/552353649.db2.gz MDWDZWIZIZTJQO-UHFFFAOYSA-N 1 0 365.474 2.462 20 5 FEBDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661897 552358289 /nfs/dbraw/zinc/35/82/89/552358289.db2.gz NFHVIVKOKPAJNK-WBMJQRKESA-N 1 0 366.805 2.201 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCn3cc(CO)nn3)o2)c1 ZINC000289958106 552405546 /nfs/dbraw/zinc/40/55/46/552405546.db2.gz VGIBULXACSMRJW-UHFFFAOYSA-N 1 0 357.370 2.119 20 5 FEBDRO CC(C)(CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000290466024 552483350 /nfs/dbraw/zinc/48/33/50/552483350.db2.gz GBLBXWAVKYTANO-UHFFFAOYSA-N 1 0 369.425 2.338 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000290582005 552502068 /nfs/dbraw/zinc/50/20/68/552502068.db2.gz URLWBYMFDMANNE-CZUORRHYSA-N 1 0 374.441 2.181 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290780850 552536768 /nfs/dbraw/zinc/53/67/68/552536768.db2.gz MYEFERRWSKNAQP-CQSZACIVSA-N 1 0 369.425 2.190 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000290928546 552563795 /nfs/dbraw/zinc/56/37/95/552563795.db2.gz YKBAWFFGDNDTFM-ZIAGYGMSSA-N 1 0 362.430 2.085 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000290928544 552563896 /nfs/dbraw/zinc/56/38/96/552563896.db2.gz YKBAWFFGDNDTFM-KGLIPLIRSA-N 1 0 362.430 2.085 20 5 FEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000501160531 561591667 /nfs/dbraw/zinc/59/16/67/561591667.db2.gz BSVCAQWUAFEIQM-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000291480753 552628854 /nfs/dbraw/zinc/62/88/54/552628854.db2.gz FYWFABBETHTJKY-GFCCVEGCSA-N 1 0 353.419 2.462 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291891816 552672317 /nfs/dbraw/zinc/67/23/17/552672317.db2.gz QSQOHZXGZOVKAX-LBPRGKRZSA-N 1 0 357.357 2.181 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292091293 552693042 /nfs/dbraw/zinc/69/30/42/552693042.db2.gz SKJTZUQWDXCCAL-LBPRGKRZSA-N 1 0 371.434 2.229 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292093985 552693281 /nfs/dbraw/zinc/69/32/81/552693281.db2.gz STKWJPPQIBNZOK-CYBMUJFWSA-N 1 0 353.444 2.090 20 5 FEBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000292289584 552712678 /nfs/dbraw/zinc/71/26/78/552712678.db2.gz MCIRRRWDOHOVNJ-OAHLLOKOSA-N 1 0 372.469 2.290 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000293486030 552828474 /nfs/dbraw/zinc/82/84/74/552828474.db2.gz RKSRJSMMCWSOBO-UHFFFAOYSA-N 1 0 370.881 2.133 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+](C2CCC2)C1 ZINC000293622140 552841245 /nfs/dbraw/zinc/84/12/45/552841245.db2.gz FSUNXXZNVGFRDF-NSHDSACASA-N 1 0 350.394 2.263 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000295045121 552953664 /nfs/dbraw/zinc/95/36/64/552953664.db2.gz FEKHTBPEQOGAKE-CYBMUJFWSA-N 1 0 359.373 2.133 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000295551817 553025049 /nfs/dbraw/zinc/02/50/49/553025049.db2.gz PLWOKMGUNZJCHG-CYBMUJFWSA-N 1 0 359.430 2.199 20 5 FEBDRO C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1=CC[N@H+](C)CC1 ZINC000295630542 553036571 /nfs/dbraw/zinc/03/65/71/553036571.db2.gz BGGNILOORNJLHM-LBPRGKRZSA-N 1 0 355.398 2.365 20 5 FEBDRO C[C@@H]1[C@@H](N2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749863 553054116 /nfs/dbraw/zinc/05/41/16/553054116.db2.gz ZPKXGPBMZPFGIV-OCCSQVGLSA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@@H](CO)[C@H](C)[NH2+]CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295789996 553059544 /nfs/dbraw/zinc/05/95/44/553059544.db2.gz RMGPEUFDEXGFOM-QWRGUYRKSA-N 1 0 364.427 2.263 20 5 FEBDRO C[C@H](NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296683290 553197536 /nfs/dbraw/zinc/19/75/36/553197536.db2.gz XNKMKCTUAONYTC-KKUMJFAQSA-N 1 0 364.446 2.454 20 5 FEBDRO CCOc1cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000502812113 561626374 /nfs/dbraw/zinc/62/63/74/561626374.db2.gz ZEBHQLNLRSNQSJ-CQSZACIVSA-N 1 0 356.444 2.393 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000502851409 561627809 /nfs/dbraw/zinc/62/78/09/561627809.db2.gz LPMNJVUAXGVNAQ-JSGCOSHPSA-N 1 0 351.403 2.073 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000296884460 553225013 /nfs/dbraw/zinc/22/50/13/553225013.db2.gz JJCMDJPIUFBLHZ-LBPRGKRZSA-N 1 0 358.398 2.405 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000299124713 553518637 /nfs/dbraw/zinc/51/86/37/553518637.db2.gz KFCXQLFNBGFRBW-QGZVFWFLSA-N 1 0 359.430 2.163 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000299240066 553535668 /nfs/dbraw/zinc/53/56/68/553535668.db2.gz WTCNAXMSTZLHHQ-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000299257680 553537955 /nfs/dbraw/zinc/53/79/55/553537955.db2.gz NNJZYTPOUDZBSY-OAHLLOKOSA-N 1 0 363.393 2.048 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1ccnc(N2CCCC2)c1 ZINC000299413013 553559862 /nfs/dbraw/zinc/55/98/62/553559862.db2.gz DPBITCOSZKRDML-UHFFFAOYSA-N 1 0 374.372 2.424 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299582182 553584364 /nfs/dbraw/zinc/58/43/64/553584364.db2.gz YWDPJIPQVIAMPO-HOTGVXAUSA-N 1 0 360.458 2.225 20 5 FEBDRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000299622697 553590453 /nfs/dbraw/zinc/59/04/53/553590453.db2.gz LVKZSTKTBYNCDL-UHFFFAOYSA-N 1 0 372.469 2.434 20 5 FEBDRO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299729362 553608859 /nfs/dbraw/zinc/60/88/59/553608859.db2.gz WGWRDRQAMTVYBI-DZGCQCFKSA-N 1 0 363.414 2.047 20 5 FEBDRO C[C@H]1CCC[C@@](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000301097490 553621739 /nfs/dbraw/zinc/62/17/39/553621739.db2.gz PVINJAXZTWJPLX-BLLLJJGKSA-N 1 0 370.475 2.165 20 5 FEBDRO O=c1[nH]cnc2cc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c([N+](=O)[O-])cc21 ZINC000301253233 553636319 /nfs/dbraw/zinc/63/63/19/553636319.db2.gz CBZHPHVZJRTQEF-GFCCVEGCSA-N 1 0 373.413 2.156 20 5 FEBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000301617529 553666142 /nfs/dbraw/zinc/66/61/42/553666142.db2.gz KMVAKUYMXUDAIE-JSGCOSHPSA-N 1 0 355.398 2.164 20 5 FEBDRO Cc1ccn(CCC[NH+]2CCN(c3ccccc3)CC2)c(=O)c1[N+](=O)[O-] ZINC000504946939 561664339 /nfs/dbraw/zinc/66/43/39/561664339.db2.gz CMLIZNMYWZJYCI-UHFFFAOYSA-N 1 0 356.426 2.277 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NCCC[NH+]1CCC(O)CC1 ZINC000301678894 553671330 /nfs/dbraw/zinc/67/13/30/553671330.db2.gz ITFOBGWAOIOHFK-UHFFFAOYSA-N 1 0 359.224 2.011 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCC[C@@H](CO)C3)ncn1)C2 ZINC000301812017 553681708 /nfs/dbraw/zinc/68/17/08/553681708.db2.gz DYBHJTIEDOQATQ-CQSZACIVSA-N 1 0 369.425 2.156 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301866997 553686969 /nfs/dbraw/zinc/68/69/69/553686969.db2.gz GFVGXAYNIKNCMT-ZDUSSCGKSA-N 1 0 355.460 2.388 20 5 FEBDRO CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000302204314 553710254 /nfs/dbraw/zinc/71/02/54/553710254.db2.gz CJZRNIGAJYYSTQ-DLBZAZTESA-N 1 0 357.414 2.476 20 5 FEBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000505606263 561675109 /nfs/dbraw/zinc/67/51/09/561675109.db2.gz IMZMCBJMXOUSDH-UHFFFAOYSA-N 1 0 371.441 2.133 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000319215336 553763558 /nfs/dbraw/zinc/76/35/58/553763558.db2.gz SAQCVVMUGRHSJS-SNVBAGLBSA-N 1 0 369.219 2.063 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000324978234 553774281 /nfs/dbraw/zinc/77/42/81/553774281.db2.gz QIISRMHEVMWWKC-CABCVRRESA-N 1 0 353.444 2.198 20 5 FEBDRO C[NH+]1CCC(C)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000507862297 561743827 /nfs/dbraw/zinc/74/38/27/561743827.db2.gz JLSRVJZGHMNALK-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330583499 554141691 /nfs/dbraw/zinc/14/16/91/554141691.db2.gz KLUMPXPBFBEXDB-QWRGUYRKSA-N 1 0 370.247 2.451 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000330762016 554168337 /nfs/dbraw/zinc/16/83/37/554168337.db2.gz OARFBBFQXMOXGY-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509070291 561783764 /nfs/dbraw/zinc/78/37/64/561783764.db2.gz RFFULTFGQBUPFL-OAHLLOKOSA-N 1 0 370.457 2.144 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000331908189 554343652 /nfs/dbraw/zinc/34/36/52/554343652.db2.gz MPYZISQFNIRFLP-CABCVRRESA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000509663870 561809624 /nfs/dbraw/zinc/80/96/24/561809624.db2.gz FHEMXHSQNLHFFD-QWHCGFSZSA-N 1 0 358.398 2.073 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028470 554366224 /nfs/dbraw/zinc/36/62/24/554366224.db2.gz JGJVTEGGZKFQJL-GDBMZVCRSA-N 1 0 360.458 2.289 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332236779 554407501 /nfs/dbraw/zinc/40/75/01/554407501.db2.gz RXRYEKSLYIQBAB-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000332331011 554426721 /nfs/dbraw/zinc/42/67/21/554426721.db2.gz QGXNCUIQYHCZHJ-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332569880 554473366 /nfs/dbraw/zinc/47/33/66/554473366.db2.gz CTKVTTIDMUNNHL-LLVKDONJSA-N 1 0 373.331 2.456 20 5 FEBDRO C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511109372 561857430 /nfs/dbraw/zinc/85/74/30/561857430.db2.gz UFIWUBONEGPBKX-UHFFFAOYSA-N 1 0 370.409 2.197 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000511345078 561866092 /nfs/dbraw/zinc/86/60/92/561866092.db2.gz QOCGYLRGFZJZDQ-UHFFFAOYSA-N 1 0 371.459 2.100 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000360023440 554860165 /nfs/dbraw/zinc/86/01/65/554860165.db2.gz RORQPOSBLPDZBF-ZBEGNZNMSA-N 1 0 366.805 2.058 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361503831 554922138 /nfs/dbraw/zinc/92/21/38/554922138.db2.gz PYYZDMYATWKMCJ-XKQJLSEDSA-N 1 0 374.441 2.350 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000363152079 555041270 /nfs/dbraw/zinc/04/12/70/555041270.db2.gz QHDPJVZTMHZJBH-UHFFFAOYSA-N 1 0 369.425 2.442 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000512165351 561894560 /nfs/dbraw/zinc/89/45/60/561894560.db2.gz QFTNVEWKYDTLET-GOEBONIOSA-N 1 0 374.441 2.451 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000512395358 561903411 /nfs/dbraw/zinc/90/34/11/561903411.db2.gz TYKYJBULCXXQCX-ZIAGYGMSSA-N 1 0 367.471 2.038 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1cccs1 ZINC000364965461 555452305 /nfs/dbraw/zinc/45/23/05/555452305.db2.gz UBDFUXHIWAKBKA-IINYFYTJSA-N 1 0 361.427 2.056 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000364967688 555452587 /nfs/dbraw/zinc/45/25/87/555452587.db2.gz AHBJUIVLQWASFR-LBPRGKRZSA-N 1 0 359.373 2.085 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000365028478 555468550 /nfs/dbraw/zinc/46/85/50/555468550.db2.gz CXRIPCRVQOBZEA-ZDUSSCGKSA-N 1 0 350.419 2.132 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512851099 561917622 /nfs/dbraw/zinc/91/76/22/561917622.db2.gz MNIJGXZZISWQQM-GJZGRUSLSA-N 1 0 355.460 2.101 20 5 FEBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000365093141 555483496 /nfs/dbraw/zinc/48/34/96/555483496.db2.gz SAECFAMEGIJZPN-FUHWJXTLSA-N 1 0 355.398 2.124 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221781 555514461 /nfs/dbraw/zinc/51/44/61/555514461.db2.gz HRYCYTXTZIRVLG-NEPJUHHUSA-N 1 0 356.382 2.205 20 5 FEBDRO CN(C(=O)C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000365222174 555515091 /nfs/dbraw/zinc/51/50/91/555515091.db2.gz OVFAXWCTSUEBRO-FOIQADDNSA-N 1 0 369.421 2.443 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000365357456 555552142 /nfs/dbraw/zinc/55/21/42/555552142.db2.gz QCQAXOZZRWVYFQ-GXFFZTMASA-N 1 0 368.231 2.490 20 5 FEBDRO CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365416481 555569222 /nfs/dbraw/zinc/56/92/22/555569222.db2.gz LAUMRQCLDACCKN-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)C ZINC000365822995 555675528 /nfs/dbraw/zinc/67/55/28/555675528.db2.gz UBRJSAHJNRLHPC-CQSZACIVSA-N 1 0 351.451 2.462 20 5 FEBDRO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000365824614 555675857 /nfs/dbraw/zinc/67/58/57/555675857.db2.gz ZAIAAVHYNAAOKP-QGZVFWFLSA-N 1 0 374.441 2.485 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000513478005 561939908 /nfs/dbraw/zinc/93/99/08/561939908.db2.gz ANRVSUBKIVAOQN-GPMSIDNRSA-N 1 0 365.474 2.275 20 5 FEBDRO Cc1nccn1-c1ccc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000365907208 555697733 /nfs/dbraw/zinc/69/77/33/555697733.db2.gz RXGLCFYKUVZABG-LLVKDONJSA-N 1 0 372.360 2.302 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC1CC([NH+]2CCCCC2)C1 ZINC000366265900 555796920 /nfs/dbraw/zinc/79/69/20/555796920.db2.gz HBBYUPSSNMWMTA-UHFFFAOYSA-N 1 0 372.429 2.287 20 5 FEBDRO Cc1sc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000366434880 555842652 /nfs/dbraw/zinc/84/26/52/555842652.db2.gz ZLSHVZNHMFDIFS-YRGRVCCFSA-N 1 0 353.444 2.288 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000366493324 555859822 /nfs/dbraw/zinc/85/98/22/555859822.db2.gz WDNBCNXZZBHSNR-JSGCOSHPSA-N 1 0 371.434 2.195 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000514027960 561958213 /nfs/dbraw/zinc/95/82/13/561958213.db2.gz YJBHJCZKBABYIJ-OAHLLOKOSA-N 1 0 363.462 2.426 20 5 FEBDRO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000366908668 555966227 /nfs/dbraw/zinc/96/62/27/555966227.db2.gz DWMGDPCEVNMRIW-HUUCEWRRSA-N 1 0 356.382 2.003 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000514603312 561969210 /nfs/dbraw/zinc/96/92/10/561969210.db2.gz BRHHZCJWBJSVRT-GDBMZVCRSA-N 1 0 360.458 2.397 20 5 FEBDRO Nc1nccc([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990264 555990955 /nfs/dbraw/zinc/99/09/55/555990955.db2.gz SHSBAWACZDMZBR-ZDUSSCGKSA-N 1 0 370.413 2.175 20 5 FEBDRO O=C([C@@H]1CC12CC[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2)N1CCCC1 ZINC000367557979 556082651 /nfs/dbraw/zinc/08/26/51/556082651.db2.gz WCEMLVGNVSUNGE-ROUUACIJSA-N 1 0 373.453 2.353 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000367593826 556092226 /nfs/dbraw/zinc/09/22/26/556092226.db2.gz MTPRGYRWONIDON-ROUUACIJSA-N 1 0 369.421 2.408 20 5 FEBDRO CN1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000367706253 556119380 /nfs/dbraw/zinc/11/93/80/556119380.db2.gz RVCYFYGYLSMBBQ-HOCLYGCPSA-N 1 0 351.357 2.105 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000515046108 561993547 /nfs/dbraw/zinc/99/35/47/561993547.db2.gz KPYTVDCOBDBXJM-GFCCVEGCSA-N 1 0 351.794 2.014 20 5 FEBDRO CSc1ccc(C(=O)NCCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000515052002 561993764 /nfs/dbraw/zinc/99/37/64/561993764.db2.gz AMUBUQQJKKYDNO-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000368256059 556260349 /nfs/dbraw/zinc/26/03/49/556260349.db2.gz KUZUAFOPNOFTLN-UHFFFAOYSA-N 1 0 370.409 2.371 20 5 FEBDRO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000368556451 556344681 /nfs/dbraw/zinc/34/46/81/556344681.db2.gz XCZWQWCYNURRCT-QZTJIDSGSA-N 1 0 366.421 2.286 20 5 FEBDRO Cc1c(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368583505 556352717 /nfs/dbraw/zinc/35/27/17/556352717.db2.gz OUVIYLZCKQSXCZ-UHFFFAOYSA-N 1 0 357.326 2.104 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368825811 556423251 /nfs/dbraw/zinc/42/32/51/556423251.db2.gz STOBTXCWDHTOOS-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000369015196 556476718 /nfs/dbraw/zinc/47/67/18/556476718.db2.gz DSGGFHCERYVRAI-HNNXBMFYSA-N 1 0 350.415 2.227 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000369097791 556504352 /nfs/dbraw/zinc/50/43/52/556504352.db2.gz NKEZNVSJCHHHQQ-INIZCTEOSA-N 1 0 363.462 2.275 20 5 FEBDRO Cc1sc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000369279421 556562391 /nfs/dbraw/zinc/56/23/91/556562391.db2.gz LUPJAGWYZHKJTP-GFCCVEGCSA-N 1 0 366.487 2.205 20 5 FEBDRO CC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369530843 556622756 /nfs/dbraw/zinc/62/27/56/556622756.db2.gz ILVLYGHTMCLBDY-KURKYZTESA-N 1 0 350.415 2.288 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369537473 556624666 /nfs/dbraw/zinc/62/46/66/556624666.db2.gz RAOKUOIQSIVFOZ-UONOGXRCSA-N 1 0 353.444 2.056 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000369573318 556635050 /nfs/dbraw/zinc/63/50/50/556635050.db2.gz KPLTURRCWDJFQX-WBMJQRKESA-N 1 0 363.443 2.052 20 5 FEBDRO CC[N@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516352764 562040571 /nfs/dbraw/zinc/04/05/71/562040571.db2.gz DFSXXAJPAZRWNH-UHFFFAOYSA-N 1 0 363.199 2.241 20 5 FEBDRO Cc1cccc(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1C ZINC000369782271 556693094 /nfs/dbraw/zinc/69/30/94/556693094.db2.gz MFSHJRRKKVVZGM-KRWDZBQOSA-N 1 0 374.441 2.312 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000369994123 556751722 /nfs/dbraw/zinc/75/17/22/556751722.db2.gz GBHPXDPDXQJTOH-AWEZNQCLSA-N 1 0 371.441 2.373 20 5 FEBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147946 556794470 /nfs/dbraw/zinc/79/44/70/556794470.db2.gz HLTBPTDJCCXINX-RHSMWYFYSA-N 1 0 373.457 2.194 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000370505169 556893236 /nfs/dbraw/zinc/89/32/36/556893236.db2.gz QLDCUUZJEQWXTR-CQSZACIVSA-N 1 0 356.382 2.268 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000370827195 556981402 /nfs/dbraw/zinc/98/14/02/556981402.db2.gz QSWUTXNORWKDHM-LYRGGWFBSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)cccc1[N+](=O)[O-] ZINC000371283537 557130546 /nfs/dbraw/zinc/13/05/46/557130546.db2.gz LDIWWQKIUVKDCO-APWZRJJASA-N 1 0 363.458 2.435 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360889 557160528 /nfs/dbraw/zinc/16/05/28/557160528.db2.gz LDWVDLOJZCMZBC-YOEHRIQHSA-N 1 0 364.833 2.370 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000517730602 562096484 /nfs/dbraw/zinc/09/64/84/562096484.db2.gz QUSBOIKOWVRSGM-CABCVRRESA-N 1 0 363.462 2.426 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000371689970 557263624 /nfs/dbraw/zinc/26/36/24/557263624.db2.gz UOJSFTWNJGZLEI-HZPDHXFCSA-N 1 0 360.414 2.086 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000371713798 557272388 /nfs/dbraw/zinc/27/23/88/557272388.db2.gz DRBOVXQIMPMDSF-MSOLQXFVSA-N 1 0 363.414 2.479 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518391218 562110342 /nfs/dbraw/zinc/11/03/42/562110342.db2.gz QHAXZVUZVGFRKM-UHFFFAOYSA-N 1 0 356.382 2.192 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558142 557505068 /nfs/dbraw/zinc/50/50/68/557505068.db2.gz RINQHSXJNNTAEV-IFXJQAMLSA-N 1 0 374.441 2.175 20 5 FEBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000373114028 557631216 /nfs/dbraw/zinc/63/12/16/557631216.db2.gz XUANOZUHOWGIKI-GFCCVEGCSA-N 1 0 361.398 2.412 20 5 FEBDRO O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222450 562150888 /nfs/dbraw/zinc/15/08/88/562150888.db2.gz JIEXJXJGPZLLFQ-GOSISDBHSA-N 1 0 373.384 2.365 20 5 FEBDRO O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374339710 557868149 /nfs/dbraw/zinc/86/81/49/557868149.db2.gz IAMBWVGLPPHKQN-MRXNPFEDSA-N 1 0 359.426 2.232 20 5 FEBDRO O=C1[C@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366431 557872708 /nfs/dbraw/zinc/87/27/08/557872708.db2.gz NUBWWCLGPASVNM-CRAIPNDOSA-N 1 0 359.426 2.449 20 5 FEBDRO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521079880 562169176 /nfs/dbraw/zinc/16/91/76/562169176.db2.gz ABQOOSQBHAHTNN-INIZCTEOSA-N 1 0 355.398 2.089 20 5 FEBDRO CN(C)c1noc([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000374529040 557895272 /nfs/dbraw/zinc/89/52/72/557895272.db2.gz HGXIKJVECSKHSJ-ZDUSSCGKSA-N 1 0 361.402 2.302 20 5 FEBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598585 557904799 /nfs/dbraw/zinc/90/47/99/557904799.db2.gz XUAAWFFYIUYUDQ-XCRHUMRWSA-N 1 0 360.414 2.244 20 5 FEBDRO Nc1c(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000374884888 557945687 /nfs/dbraw/zinc/94/56/87/557945687.db2.gz XPEJJTQZOSQWJK-HIFRSBDPSA-N 1 0 358.373 2.192 20 5 FEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374906012 557948905 /nfs/dbraw/zinc/94/89/05/557948905.db2.gz BLPWOBDBDUYRHX-RHSMWYFYSA-N 1 0 350.438 2.192 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374922504 557951908 /nfs/dbraw/zinc/95/19/08/557951908.db2.gz ASYJPAZYFSNUPG-CRAIPNDOSA-N 1 0 358.394 2.274 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000375270881 558002016 /nfs/dbraw/zinc/00/20/16/558002016.db2.gz ABKIHFJOJNSHPE-MRXNPFEDSA-N 1 0 350.415 2.227 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375998339 558111513 /nfs/dbraw/zinc/11/15/13/558111513.db2.gz FXJIARHRZPWSEJ-UHFFFAOYSA-N 1 0 367.471 2.232 20 5 FEBDRO CC(=O)c1cc(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376187486 558138526 /nfs/dbraw/zinc/13/85/26/558138526.db2.gz KKMIWWYPMGUXOV-MRXNPFEDSA-N 1 0 360.458 2.261 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376212192 558142150 /nfs/dbraw/zinc/14/21/50/558142150.db2.gz SGJPCLDEMMKBJQ-CRAIPNDOSA-N 1 0 362.474 2.203 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)c1 ZINC000521681831 562182161 /nfs/dbraw/zinc/18/21/61/562182161.db2.gz BGUGUMKOJZHGPM-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO CC(=O)c1cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000376450856 558174964 /nfs/dbraw/zinc/17/49/64/558174964.db2.gz SGWCMZBDDGJRSG-CQSZACIVSA-N 1 0 360.458 2.402 20 5 FEBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376817492 558225391 /nfs/dbraw/zinc/22/53/91/558225391.db2.gz CIBQJZVWFHBEFY-CQSZACIVSA-N 1 0 353.854 2.248 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000521863928 562185160 /nfs/dbraw/zinc/18/51/60/562185160.db2.gz JJSIDXLSMVLRDA-XNRPHZJLSA-N 1 0 350.806 2.341 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000522000699 562188793 /nfs/dbraw/zinc/18/87/93/562188793.db2.gz TTXBSCUXGZIFRM-OAHLLOKOSA-N 1 0 367.471 2.167 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000377258633 558300107 /nfs/dbraw/zinc/30/01/07/558300107.db2.gz SUQVOYGUOKPHEN-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000377273321 558303440 /nfs/dbraw/zinc/30/34/40/558303440.db2.gz MMBGGRZKDHOVQO-KBPBESRZSA-N 1 0 359.835 2.140 20 5 FEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000522201392 562194087 /nfs/dbraw/zinc/19/40/87/562194087.db2.gz PUSQTGDCOHLSHR-UHFFFAOYSA-N 1 0 361.377 2.160 20 5 FEBDRO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522037501 562189974 /nfs/dbraw/zinc/18/99/74/562189974.db2.gz LPADJTIGIPDMJQ-HNNXBMFYSA-N 1 0 355.398 2.089 20 5 FEBDRO COc1ccc(C[N@H+](C)C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000378111230 558483803 /nfs/dbraw/zinc/48/38/03/558483803.db2.gz MRIQSJAYEFGGOD-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378224949 558506055 /nfs/dbraw/zinc/50/60/55/558506055.db2.gz JKQFPHWOFNEMAI-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000378318641 558528577 /nfs/dbraw/zinc/52/85/77/558528577.db2.gz XPQMALVRPIYQMM-IEBWSBKVSA-N 1 0 357.410 2.345 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000378365115 558539867 /nfs/dbraw/zinc/53/98/67/558539867.db2.gz IBCOJIGFAWJPDG-MRXNPFEDSA-N 1 0 374.485 2.154 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@H+](CC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000523898208 562221198 /nfs/dbraw/zinc/22/11/98/562221198.db2.gz WVQBWPMLJOZHMQ-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000378501294 558570882 /nfs/dbraw/zinc/57/08/82/558570882.db2.gz ZCPMMIGKNSBHCV-OAHLLOKOSA-N 1 0 369.368 2.056 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000378522648 558574290 /nfs/dbraw/zinc/57/42/90/558574290.db2.gz YANOAFLZWAWLNV-OAHLLOKOSA-N 1 0 352.354 2.481 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1C ZINC000397248401 558623984 /nfs/dbraw/zinc/62/39/84/558623984.db2.gz GCOAGFXXABOFME-MJBXVCDLSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000408061669 558642417 /nfs/dbraw/zinc/64/24/17/558642417.db2.gz LJAQDDOLCCSSBW-CABCVRRESA-N 1 0 353.444 2.117 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000524067363 562223650 /nfs/dbraw/zinc/22/36/50/562223650.db2.gz MQWIYUXZSSLWKQ-PXAZEXFGSA-N 1 0 362.382 2.350 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408063827 558642767 /nfs/dbraw/zinc/64/27/67/558642767.db2.gz XCXVKLSFGRVBCR-UONOGXRCSA-N 1 0 373.862 2.462 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408067953 558643245 /nfs/dbraw/zinc/64/32/45/558643245.db2.gz GAOYLTUNQVPSRS-LSDHHAIUSA-N 1 0 360.458 2.362 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182443 558654816 /nfs/dbraw/zinc/65/48/16/558654816.db2.gz KRVWHBQBBWHGCU-RHSMWYFYSA-N 1 0 358.442 2.043 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316031 558666137 /nfs/dbraw/zinc/66/61/37/558666137.db2.gz NFEZEXZYUHASJN-OLZOCXBDSA-N 1 0 371.434 2.290 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000408337382 558667859 /nfs/dbraw/zinc/66/78/59/558667859.db2.gz UNNKKQGLKAOCCK-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000409720972 558716729 /nfs/dbraw/zinc/71/67/29/558716729.db2.gz JQXWGYOEIDBJFQ-CYBMUJFWSA-N 1 0 367.471 2.139 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000411250012 558860677 /nfs/dbraw/zinc/86/06/77/558860677.db2.gz XXUKOGXGXGZINI-KJWYOANISA-N 1 0 361.442 2.314 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000411258879 558862224 /nfs/dbraw/zinc/86/22/24/558862224.db2.gz MQFNDEDNVWRZHN-HNNXBMFYSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000525577538 562250527 /nfs/dbraw/zinc/25/05/27/562250527.db2.gz NNBQNQIHHAVGNM-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000411589941 558924599 /nfs/dbraw/zinc/92/45/99/558924599.db2.gz IRQZYKVDHFVDGE-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721311 558950333 /nfs/dbraw/zinc/95/03/33/558950333.db2.gz OJTOTXIGEOGSDL-OKILXGFUSA-N 1 0 364.446 2.347 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)CNC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000411756171 558956954 /nfs/dbraw/zinc/95/69/54/558956954.db2.gz IHGDNJZGEPVPNB-UHFFFAOYSA-N 1 0 362.474 2.409 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000411978219 558998613 /nfs/dbraw/zinc/99/86/13/558998613.db2.gz AMMTVFWQOOYMJW-OAHLLOKOSA-N 1 0 368.437 2.400 20 5 FEBDRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412036672 559004767 /nfs/dbraw/zinc/00/47/67/559004767.db2.gz HGJNIOQJFVIIFF-CYBMUJFWSA-N 1 0 358.402 2.148 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1F ZINC000412108062 559014501 /nfs/dbraw/zinc/01/45/01/559014501.db2.gz HCMXVIWNVLDQMU-GFCCVEGCSA-N 1 0 353.394 2.085 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412145556 559016775 /nfs/dbraw/zinc/01/67/75/559016775.db2.gz CYZHJRXHWZQKEB-CYBMUJFWSA-N 1 0 367.421 2.475 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000412158442 559017492 /nfs/dbraw/zinc/01/74/92/559017492.db2.gz GUAJKBBBXDITRG-ZWKOTPCHSA-N 1 0 359.426 2.022 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)c1F ZINC000413443164 559108347 /nfs/dbraw/zinc/10/83/47/559108347.db2.gz RHVLOUBBHWFYQR-LBPRGKRZSA-N 1 0 355.410 2.378 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1F ZINC000413630162 559121473 /nfs/dbraw/zinc/12/14/73/559121473.db2.gz KIRGPNWCEHBMDH-OCCSQVGLSA-N 1 0 365.405 2.228 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])cc1OCC ZINC000414765196 559186396 /nfs/dbraw/zinc/18/63/96/559186396.db2.gz ZKZILLAODNORHK-LLVKDONJSA-N 1 0 354.407 2.497 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000415597840 559254106 /nfs/dbraw/zinc/25/41/06/559254106.db2.gz JZBHQDGIEZPFOR-QGZVFWFLSA-N 1 0 364.402 2.201 20 5 FEBDRO COC(=O)c1cc(NC(=O)NCC2(C)CC[NH2+]CC2)c(C)c([N+](=O)[O-])c1 ZINC000415604885 559254584 /nfs/dbraw/zinc/25/45/84/559254584.db2.gz WROJYRZMZJRWEX-UHFFFAOYSA-N 1 0 364.402 2.201 20 5 FEBDRO Cc1c(NC(=O)N2CC[C@H](C[NH3+])C2)cc(Br)cc1[N+](=O)[O-] ZINC000415659056 559259068 /nfs/dbraw/zinc/25/90/68/559259068.db2.gz OARQZEKNNWPNRG-SECBINFHSA-N 1 0 357.208 2.478 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415701749 559263534 /nfs/dbraw/zinc/26/35/34/559263534.db2.gz OOXYPAVTFOQALW-UWVGGRQHSA-N 1 0 369.219 2.431 20 5 FEBDRO C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415743692 559266797 /nfs/dbraw/zinc/26/67/97/559266797.db2.gz OULDIULKJBQCER-GFCCVEGCSA-N 1 0 364.446 2.465 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000415867950 559279959 /nfs/dbraw/zinc/27/99/59/559279959.db2.gz XLWPHMBBMWQTEU-MRXNPFEDSA-N 1 0 374.441 2.078 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000415953464 559284581 /nfs/dbraw/zinc/28/45/81/559284581.db2.gz HADGODCKBMHBGL-UHFFFAOYSA-N 1 0 355.398 2.408 20 5 FEBDRO COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1OCC[NH+](C)C ZINC000416337808 559306473 /nfs/dbraw/zinc/30/64/73/559306473.db2.gz BICIWPSJYLUKRA-UHFFFAOYSA-N 1 0 374.397 2.378 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000416559858 559321801 /nfs/dbraw/zinc/32/18/01/559321801.db2.gz KTSUWKFPWADAFW-CYBMUJFWSA-N 1 0 355.460 2.167 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416561067 559322012 /nfs/dbraw/zinc/32/20/12/559322012.db2.gz TYONVECJSBASTF-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1cc(S(=O)(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416665869 559328693 /nfs/dbraw/zinc/32/86/93/559328693.db2.gz VLNKCIVIEYNFMK-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417200250 559352595 /nfs/dbraw/zinc/35/25/95/559352595.db2.gz TVPCJWZGOUDXKK-UHFFFAOYSA-N 1 0 350.419 2.454 20 5 FEBDRO CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313983 559357203 /nfs/dbraw/zinc/35/72/03/559357203.db2.gz XQZYQAVKLLGCAA-MRXNPFEDSA-N 1 0 355.460 2.280 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000417999369 559385900 /nfs/dbraw/zinc/38/59/00/559385900.db2.gz WGMSBCOTBXDXOJ-SNVBAGLBSA-N 1 0 350.753 2.072 20 5 FEBDRO C[C@H]1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000418003273 559385999 /nfs/dbraw/zinc/38/59/99/559385999.db2.gz ZQYRYCIWHGNAEL-AAEUAGOBSA-N 1 0 354.838 2.417 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418092169 559389842 /nfs/dbraw/zinc/38/98/42/559389842.db2.gz QWEOARLNYOHHTL-VXGBXAGGSA-N 1 0 372.347 2.365 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418327473 559397590 /nfs/dbraw/zinc/39/75/90/559397590.db2.gz MFMWWXBCNGSVAB-UHFFFAOYSA-N 1 0 357.414 2.311 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000420007859 559468635 /nfs/dbraw/zinc/46/86/35/559468635.db2.gz CWKLLWYTJJIHHM-AWEZNQCLSA-N 1 0 363.336 2.046 20 5 FEBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420445118 559487637 /nfs/dbraw/zinc/48/76/37/559487637.db2.gz ZWCXDIYYFCSRAN-RCOVLWMOSA-N 1 0 354.215 2.012 20 5 FEBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000421373275 559540417 /nfs/dbraw/zinc/54/04/17/559540417.db2.gz DVAWZMPBBXKYMT-GFCCVEGCSA-N 1 0 359.382 2.431 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000421715990 559550583 /nfs/dbraw/zinc/55/05/83/559550583.db2.gz ZKRZZIRABYJDPR-ZDUSSCGKSA-N 1 0 370.247 2.452 20 5 FEBDRO C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000422642527 559599763 /nfs/dbraw/zinc/59/97/63/559599763.db2.gz ZNTGZMZUCSAEHY-GRYCIOLGSA-N 1 0 354.838 2.492 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc(C(F)(F)F)c1 ZINC000423081618 559618080 /nfs/dbraw/zinc/61/80/80/559618080.db2.gz DJMZHQFRFMHSML-LSDHHAIUSA-N 1 0 359.348 2.470 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000423956806 559647915 /nfs/dbraw/zinc/64/79/15/559647915.db2.gz CWUGIOMGNCCHFW-INIZCTEOSA-N 1 0 373.409 2.361 20 5 FEBDRO C[NH2+]CCCN(C)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000424037734 559652216 /nfs/dbraw/zinc/65/22/16/559652216.db2.gz WOEPKENIKSKALU-UHFFFAOYSA-N 1 0 362.352 2.484 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000425625649 559712075 /nfs/dbraw/zinc/71/20/75/559712075.db2.gz SFOFXLPTSLKADC-UHFFFAOYSA-N 1 0 350.419 2.478 20 5 FEBDRO CC[C@]1(CO)CCC[N@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000426465770 559735021 /nfs/dbraw/zinc/73/50/21/559735021.db2.gz BYDVGRIHDNFVSK-SFHVURJKSA-N 1 0 363.414 2.377 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)CC2CCCCC2)n1 ZINC000427818348 559763378 /nfs/dbraw/zinc/76/33/78/559763378.db2.gz HSBBZXLFTMWMEO-UHFFFAOYSA-N 1 0 351.451 2.395 20 5 FEBDRO O=C(N[C@@H]1CCn2ccnc2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000428361892 559773954 /nfs/dbraw/zinc/77/39/54/559773954.db2.gz NAFIFGQPMQJDAI-CQSZACIVSA-N 1 0 355.398 2.136 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000428658200 559780554 /nfs/dbraw/zinc/78/05/54/559780554.db2.gz DAAIAOBOUCWJOQ-OAHLLOKOSA-N 1 0 371.441 2.480 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccccn2)Cc2cccnc2)n1 ZINC000430341363 559818198 /nfs/dbraw/zinc/81/81/98/559818198.db2.gz VFNYDRCMJUBKJC-UHFFFAOYSA-N 1 0 352.398 2.326 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430591776 559823971 /nfs/dbraw/zinc/82/39/71/559823971.db2.gz FWWGXYBOEKUJCJ-JSGCOSHPSA-N 1 0 352.435 2.236 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000431016089 559832378 /nfs/dbraw/zinc/83/23/78/559832378.db2.gz SLXSCJKVHPMQGX-UHFFFAOYSA-N 1 0 359.835 2.012 20 5 FEBDRO C[NH2+]CCN(C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000435378688 559921767 /nfs/dbraw/zinc/92/17/67/559921767.db2.gz JOURFIUFJYQXLH-UHFFFAOYSA-N 1 0 351.325 2.196 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382339 559921791 /nfs/dbraw/zinc/92/17/91/559921791.db2.gz YXYDQYFXMMGILA-DRZSPHRISA-N 1 0 371.384 2.416 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000439159334 559989285 /nfs/dbraw/zinc/98/92/85/559989285.db2.gz XGFXWPZFHZRGDS-BFYDXBDKSA-N 1 0 350.415 2.083 20 5 FEBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000440511744 560013222 /nfs/dbraw/zinc/01/32/22/560013222.db2.gz ZMOQIUCDPHMVJO-IBGZPJMESA-N 1 0 373.384 2.101 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109466 560044226 /nfs/dbraw/zinc/04/42/26/560044226.db2.gz IOOCZSWKMQCUGI-HZSPNIEDSA-N 1 0 355.460 2.240 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000443712544 560090930 /nfs/dbraw/zinc/09/09/30/560090930.db2.gz WNYAADWRRLHNCC-KGLIPLIRSA-N 1 0 355.460 2.277 20 5 FEBDRO COc1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc([N+](=O)[O-])c1OC ZINC000444241507 560106485 /nfs/dbraw/zinc/10/64/85/560106485.db2.gz FNZWILUUXYJJNY-UHFFFAOYSA-N 1 0 357.366 2.145 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444620993 560116874 /nfs/dbraw/zinc/11/68/74/560116874.db2.gz ARGRVOLBHRUCEC-INIZCTEOSA-N 1 0 372.473 2.073 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444661148 560117915 /nfs/dbraw/zinc/11/79/15/560117915.db2.gz HBHWVASFCBWQDL-JLZZUVOBSA-N 1 0 359.430 2.155 20 5 FEBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])C1(C)C ZINC000444799709 560121021 /nfs/dbraw/zinc/12/10/21/560121021.db2.gz IHLZCTLFQUCWAD-WMZOPIPTSA-N 1 0 368.430 2.138 20 5 FEBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCC1 ZINC000445262331 560131624 /nfs/dbraw/zinc/13/16/24/560131624.db2.gz IIDYAMUDCDXBGR-LBPRGKRZSA-N 1 0 360.418 2.002 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)nc1OCc1ccccc1 ZINC000445669448 560133785 /nfs/dbraw/zinc/13/37/85/560133785.db2.gz CAESEGRROVKWCH-UHFFFAOYSA-N 1 0 372.425 2.703 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000447507674 560163661 /nfs/dbraw/zinc/16/36/61/560163661.db2.gz IMJFEZRWUMZTBL-NXEZZACHSA-N 1 0 361.320 2.406 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000447966339 560174806 /nfs/dbraw/zinc/17/48/06/560174806.db2.gz KMBHEEBPTAJBIS-CRAIPNDOSA-N 1 0 362.382 2.493 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448826237 560201042 /nfs/dbraw/zinc/20/10/42/560201042.db2.gz ZCDKDUHKKQLZDR-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000448831330 560201376 /nfs/dbraw/zinc/20/13/76/560201376.db2.gz QJLGJPRTYANJBU-INIZCTEOSA-N 1 0 369.425 2.481 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448958667 560208946 /nfs/dbraw/zinc/20/89/46/560208946.db2.gz ZPFDMFPLEWRHEO-OAHLLOKOSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccc1OCC(N)=O ZINC000449102295 560216007 /nfs/dbraw/zinc/21/60/07/560216007.db2.gz JNSXCURDXYMICT-CYBMUJFWSA-N 1 0 373.409 2.188 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000449322813 560225053 /nfs/dbraw/zinc/22/50/53/560225053.db2.gz QPAAWRCKNQNBIH-KBMXLJTQSA-N 1 0 369.487 2.223 20 5 FEBDRO CCO[C@H]1CC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492289 560231735 /nfs/dbraw/zinc/23/17/35/560231735.db2.gz BRCFATAJAAWSPI-CJNGLKHVSA-N 1 0 366.414 2.394 20 5 FEBDRO COc1cc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c([N+](=O)[O-])cc1OC ZINC000449508778 560232139 /nfs/dbraw/zinc/23/21/39/560232139.db2.gz NRFGAQKMLHKAQP-KDOFPFPSSA-N 1 0 350.415 2.499 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](O)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449739923 560238548 /nfs/dbraw/zinc/23/85/48/560238548.db2.gz MPZUHNJEWQGTMB-CYBMUJFWSA-N 1 0 360.357 2.498 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000449747786 560238811 /nfs/dbraw/zinc/23/88/11/560238811.db2.gz KEGIZVGEGJSOHH-MRXNPFEDSA-N 1 0 371.441 2.327 20 5 FEBDRO COC(=O)COc1ccc(CNCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449784069 560240085 /nfs/dbraw/zinc/24/00/85/560240085.db2.gz UWGRFKRFZURBQP-UHFFFAOYSA-N 1 0 365.430 2.111 20 5 FEBDRO CC[C@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000450310180 560258031 /nfs/dbraw/zinc/25/80/31/560258031.db2.gz CPUTZIRHNOLZLG-KGLIPLIRSA-N 1 0 374.441 2.433 20 5 FEBDRO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+](C2CC2)C1 ZINC000451096389 560286895 /nfs/dbraw/zinc/28/68/95/560286895.db2.gz XCQAHMKTLUOXEE-CQSZACIVSA-N 1 0 374.441 2.309 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306171 560299146 /nfs/dbraw/zinc/29/91/46/560299146.db2.gz RNUPDQJICSCBKN-NJZAAPMLSA-N 1 0 354.378 2.104 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000451488713 560310106 /nfs/dbraw/zinc/31/01/06/560310106.db2.gz GPARFJMQJYJCPL-LSDHHAIUSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489024 560310136 /nfs/dbraw/zinc/31/01/36/560310136.db2.gz JWNXWJZOOYIBOA-JCURWCKSSA-N 1 0 361.398 2.089 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451490230 560310140 /nfs/dbraw/zinc/31/01/40/560310140.db2.gz LLDVRNXPCFWRTD-IAOVAPTHSA-N 1 0 373.409 2.440 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560108 560314776 /nfs/dbraw/zinc/31/47/76/560314776.db2.gz HVENEAWWTMUBRK-WBMJQRKESA-N 1 0 351.403 2.289 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451849945 560332290 /nfs/dbraw/zinc/33/22/90/560332290.db2.gz LAPYNIVLULQCRW-MRXNPFEDSA-N 1 0 369.487 2.446 20 5 FEBDRO CC(C)(CN1CCCC1)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452098022 560351067 /nfs/dbraw/zinc/35/10/67/560351067.db2.gz SNPXIBMSHRNTBF-UHFFFAOYSA-N 1 0 362.430 2.357 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452376529 560361495 /nfs/dbraw/zinc/36/14/95/560361495.db2.gz LDYIHBTXCLKUAQ-CQSZACIVSA-N 1 0 367.471 2.283 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000452725931 560372334 /nfs/dbraw/zinc/37/23/34/560372334.db2.gz FITXMGUKWAWGOZ-UHFFFAOYSA-N 1 0 371.441 2.352 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453045688 560382374 /nfs/dbraw/zinc/38/23/74/560382374.db2.gz ZIOFGMPYGPAZFV-COPLHBTASA-N 1 0 353.806 2.178 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453141987 560383717 /nfs/dbraw/zinc/38/37/17/560383717.db2.gz KEKPRXUHMUYTSC-QGZVFWFLSA-N 1 0 367.471 2.432 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(CC)C[C@@H]1CC ZINC000453952309 560416076 /nfs/dbraw/zinc/41/60/76/560416076.db2.gz AZKMZSFPSCDBET-AWEZNQCLSA-N 1 0 362.430 2.038 20 5 FEBDRO CNc1nc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000456023668 560504871 /nfs/dbraw/zinc/50/48/71/560504871.db2.gz KMMSGRKAQDEMCZ-UHFFFAOYSA-N 1 0 357.414 2.066 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000458166699 560606398 /nfs/dbraw/zinc/60/63/98/560606398.db2.gz LZUOXMISFNFDQE-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525341 560692080 /nfs/dbraw/zinc/69/20/80/560692080.db2.gz IJVAUDFIYSNTEP-ZWKOTPCHSA-N 1 0 374.441 2.036 20 5 FEBDRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459691742 560702422 /nfs/dbraw/zinc/70/24/22/560702422.db2.gz GQJJBGRKYWDLDC-UHFFFAOYSA-N 1 0 359.835 2.034 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459756105 560706487 /nfs/dbraw/zinc/70/64/87/560706487.db2.gz KCTFUUVHDCBMQR-HZPDHXFCSA-N 1 0 363.414 2.479 20 5 FEBDRO CS[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000460347790 560742116 /nfs/dbraw/zinc/74/21/16/560742116.db2.gz CNJPPPYQOKOLQA-DLBZAZTESA-N 1 0 351.472 2.485 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461356535 560767952 /nfs/dbraw/zinc/76/79/52/560767952.db2.gz YYCNLMBVNGHVSB-INIZCTEOSA-N 1 0 362.430 2.373 20 5 FEBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000468596098 560933644 /nfs/dbraw/zinc/93/36/44/560933644.db2.gz BGBSLGGGODVYOV-SDNWHVSQSA-N 1 0 372.425 2.452 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151570 560975493 /nfs/dbraw/zinc/97/54/93/560975493.db2.gz JDJMFDBWHFQCPP-HNNXBMFYSA-N 1 0 354.382 2.212 20 5 FEBDRO COC(=O)c1cn([C@@H]2CC[N@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208207 560976790 /nfs/dbraw/zinc/97/67/90/560976790.db2.gz GOTDCSGSXBEQNL-WDBUWWRISA-N 1 0 371.397 2.323 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000471574585 561007547 /nfs/dbraw/zinc/00/75/47/561007547.db2.gz QXRIQASLOIAAHK-INIZCTEOSA-N 1 0 353.394 2.307 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000472627455 561031353 /nfs/dbraw/zinc/03/13/53/561031353.db2.gz FZCUBDRLPPGVEP-NVXWUHKLSA-N 1 0 351.403 2.073 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000474016474 561063681 /nfs/dbraw/zinc/06/36/81/561063681.db2.gz YHSIUYYXBIQNTB-MSOLQXFVSA-N 1 0 364.398 2.194 20 5 FEBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000475432523 561097107 /nfs/dbraw/zinc/09/71/07/561097107.db2.gz RXGPUEKQZKTPCK-ZFWWWQNUSA-N 1 0 362.430 2.160 20 5 FEBDRO COC(=O)COc1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475582752 561100242 /nfs/dbraw/zinc/10/02/42/561100242.db2.gz TYPHFTVLMAVGHQ-UHFFFAOYSA-N 1 0 365.430 2.063 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)Cc1ccccc1 ZINC000476080789 561110987 /nfs/dbraw/zinc/11/09/87/561110987.db2.gz QMADMFHQCFCNNJ-HNNXBMFYSA-N 1 0 359.430 2.011 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000531714935 562454593 /nfs/dbraw/zinc/45/45/93/562454593.db2.gz AHAOBOIVOAXJSW-HNNXBMFYSA-N 1 0 362.474 2.497 20 5 FEBDRO COCC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000532511208 562479888 /nfs/dbraw/zinc/47/98/88/562479888.db2.gz RNIPJSCCRHHANZ-KRWDZBQOSA-N 1 0 361.442 2.143 20 5 FEBDRO CC(C)C(=O)NC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000532920934 562492642 /nfs/dbraw/zinc/49/26/42/562492642.db2.gz VCSPAQXDKRKMDG-UHFFFAOYSA-N 1 0 362.430 2.160 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000533264279 562503140 /nfs/dbraw/zinc/50/31/40/562503140.db2.gz QVFZEPWQJKNNGL-INIZCTEOSA-N 1 0 374.441 2.453 20 5 FEBDRO CS[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000534827182 562543375 /nfs/dbraw/zinc/54/33/75/562543375.db2.gz DERVLOIBOHXYSW-KGLIPLIRSA-N 1 0 355.485 2.191 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000541760764 562619369 /nfs/dbraw/zinc/61/93/69/562619369.db2.gz OZZAZPHMUHQPMU-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO CNC(=O)[C@H](CCSC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806662255 674385556 /nfs/dbraw/zinc/38/55/56/674385556.db2.gz BBZHQQVQJPVTBT-INIZCTEOSA-N 1 0 366.487 2.021 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568340978 568026411 /nfs/dbraw/zinc/02/64/11/568026411.db2.gz ZUYZVPQLMQGPHO-HNNXBMFYSA-N 1 0 359.430 2.402 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000568619737 568099669 /nfs/dbraw/zinc/09/96/69/568099669.db2.gz HDGZECUPVVTCMS-KRWDZBQOSA-N 1 0 358.394 2.102 20 5 FEBDRO [NH3+]CCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000568746869 568168600 /nfs/dbraw/zinc/16/86/00/568168600.db2.gz VRUFHJAIMKFWEL-UHFFFAOYSA-N 1 0 358.398 2.113 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000569214565 568312596 /nfs/dbraw/zinc/31/25/96/568312596.db2.gz PGKMRYBVNRBVBJ-CYBMUJFWSA-N 1 0 362.407 2.134 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000570049865 568443578 /nfs/dbraw/zinc/44/35/78/568443578.db2.gz BLTDKIPFPREDLA-AWEZNQCLSA-N 1 0 357.476 2.177 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609489415 568490737 /nfs/dbraw/zinc/49/07/37/568490737.db2.gz KGGZEQKIQKUJPO-HNNXBMFYSA-N 1 0 357.414 2.385 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556068 599123913 /nfs/dbraw/zinc/12/39/13/599123913.db2.gz UVEANNXVTSXOEI-LBPRGKRZSA-N 1 0 356.390 2.055 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C2 ZINC000807937120 674435430 /nfs/dbraw/zinc/43/54/30/674435430.db2.gz YHNXPIOHNNFYFV-UHFFFAOYSA-N 1 0 372.194 2.274 20 5 FEBDRO CC[NH+](CC)C[C@H](C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180704 599498241 /nfs/dbraw/zinc/49/82/41/599498241.db2.gz GAXQXCBOZHMXBN-NSHDSACASA-N 1 0 370.417 2.465 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000557984342 674477916 /nfs/dbraw/zinc/47/79/16/674477916.db2.gz IYXWSZWNKYWIKU-UHFFFAOYSA-N 1 0 351.451 2.213 20 5 FEBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240101 606730797 /nfs/dbraw/zinc/73/07/97/606730797.db2.gz DXRVEBSVUJVGMY-ZUZCIYMTSA-N 1 0 368.401 2.075 20 5 FEBDRO CC(C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000820723289 607168393 /nfs/dbraw/zinc/16/83/93/607168393.db2.gz ZGWBCUMQTMTNLT-AWEZNQCLSA-N 1 0 374.449 2.338 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000826499379 608531704 /nfs/dbraw/zinc/53/17/04/608531704.db2.gz GUXLGTLJWNHZIY-INIZCTEOSA-N 1 0 366.381 2.087 20 5 FEBDRO C[C@@H](CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C[NH+](C)C ZINC000560706984 674610912 /nfs/dbraw/zinc/61/09/12/674610912.db2.gz SWDTWTCIIXWSJG-JTQLQIEISA-N 1 0 363.336 2.463 20 5 FEBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)c1 ZINC000562992807 674832439 /nfs/dbraw/zinc/83/24/39/674832439.db2.gz YJSCYDCXGAPMMR-UHFFFAOYSA-N 1 0 352.387 2.340 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036179 674904976 /nfs/dbraw/zinc/90/49/76/674904976.db2.gz SBKGPCCBKJYNQF-VIFPVBQESA-N 1 0 367.830 2.396 20 5 FEBDRO COc1ncc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1Cl ZINC000565417363 675119845 /nfs/dbraw/zinc/11/98/45/675119845.db2.gz ROWLLVVLJPNAJN-LBPRGKRZSA-N 1 0 367.789 2.181 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000101572035 670768985 /nfs/dbraw/zinc/76/89/85/670768985.db2.gz SXQKGPQANDSVQK-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000104755392 670796048 /nfs/dbraw/zinc/79/60/48/670796048.db2.gz KMZHWOFXZXMXPU-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000571092673 670815101 /nfs/dbraw/zinc/81/51/01/670815101.db2.gz SJYUZHATVLSKCD-GFCCVEGCSA-N 1 0 359.448 2.002 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000571313542 670854250 /nfs/dbraw/zinc/85/42/50/670854250.db2.gz GREUOATVLDGZFQ-PSTGCABASA-N 1 0 367.471 2.339 20 5 FEBDRO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000115436918 670896979 /nfs/dbraw/zinc/89/69/79/670896979.db2.gz HQPFCGCWPHBFJA-GFCCVEGCSA-N 1 0 350.375 2.225 20 5 FEBDRO C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000571696813 670913265 /nfs/dbraw/zinc/91/32/65/670913265.db2.gz PJSHGMPSMZTRGH-NXEZZACHSA-N 1 0 371.235 2.107 20 5 FEBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@@H+]1C ZINC000572014623 670951640 /nfs/dbraw/zinc/95/16/40/670951640.db2.gz CVXYXIRIYZXYJY-QWHCGFSZSA-N 1 0 352.410 2.465 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817677850 675160545 /nfs/dbraw/zinc/16/05/45/675160545.db2.gz HXMUAKSRFPDNAF-NSHDSACASA-N 1 0 368.821 2.373 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000572744016 671039232 /nfs/dbraw/zinc/03/92/32/671039232.db2.gz XSXPBQOFZDTOIM-ZDUSSCGKSA-N 1 0 364.427 2.861 20 5 FEBDRO CCC[C@H]1C[NH2+]CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000573207721 671095087 /nfs/dbraw/zinc/09/50/87/671095087.db2.gz ILJDYXZFNIOSRL-AWEZNQCLSA-N 1 0 367.471 2.437 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000573356320 671112976 /nfs/dbraw/zinc/11/29/76/671112976.db2.gz PJWGHEVTJIEHKD-HNNXBMFYSA-N 1 0 351.451 2.201 20 5 FEBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108205 675181502 /nfs/dbraw/zinc/18/15/02/675181502.db2.gz DMJYTVOHVHHFOC-INMHGKMJSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000817879850 675184707 /nfs/dbraw/zinc/18/47/07/675184707.db2.gz HHXDBULFMZWJQT-IJLUTSLNSA-N 1 0 354.838 2.492 20 5 FEBDRO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000575089322 671297682 /nfs/dbraw/zinc/29/76/82/671297682.db2.gz CIPVSVZHZLLUQI-OAGGEKHMSA-N 1 0 351.447 2.187 20 5 FEBDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000575248215 671307731 /nfs/dbraw/zinc/30/77/31/671307731.db2.gz COUFWTWXDVARFZ-GDBMZVCRSA-N 1 0 352.822 2.417 20 5 FEBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000818010226 675190630 /nfs/dbraw/zinc/19/06/30/675190630.db2.gz JSLUBWUVFLSISA-HOCLYGCPSA-N 1 0 351.378 2.092 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560945 675926275 /nfs/dbraw/zinc/92/62/75/675926275.db2.gz BGMXOWFDALMDTJ-ZDUSSCGKSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000609583835 675927373 /nfs/dbraw/zinc/92/73/73/675927373.db2.gz YENJHTBZIQPJIG-LLVKDONJSA-N 1 0 351.403 2.072 20 5 FEBDRO CCS(=O)(=O)NC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000578579545 671674822 /nfs/dbraw/zinc/67/48/22/671674822.db2.gz ASSZGEGLNVAFQJ-KAMYIIQDSA-N 1 0 367.471 2.402 20 5 FEBDRO Cc1nc(C)c(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000578619200 671677865 /nfs/dbraw/zinc/67/78/65/671677865.db2.gz FCLIBYAZAXCEIR-CQSZACIVSA-N 1 0 351.428 2.240 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccccc2C(F)(F)F)c1 ZINC000579343626 671728788 /nfs/dbraw/zinc/72/87/88/671728788.db2.gz GXBWEFLQPMMMEX-ZDUSSCGKSA-N 1 0 358.320 2.003 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCCc2ccc(Cl)s2)c1 ZINC000580306311 671796543 /nfs/dbraw/zinc/79/65/43/671796543.db2.gz IVMJZPYBDWNKRT-GFCCVEGCSA-N 1 0 358.851 2.480 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cs1 ZINC000119706577 671906344 /nfs/dbraw/zinc/90/63/44/671906344.db2.gz YCWRKCISNBTJGL-LBPRGKRZSA-N 1 0 359.473 2.295 20 5 FEBDRO CN(CCOC(=O)CN(C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000124981199 672004578 /nfs/dbraw/zinc/00/45/78/672004578.db2.gz OZMOWRTUSSPEIY-OAHLLOKOSA-N 1 0 353.444 2.012 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000583316797 672083800 /nfs/dbraw/zinc/08/38/00/672083800.db2.gz HSBMQLVZQPJFPX-ZDUSSCGKSA-N 1 0 367.471 2.310 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000132352845 672097292 /nfs/dbraw/zinc/09/72/92/672097292.db2.gz QKJXQRGTRITICP-GFCCVEGCSA-N 1 0 373.450 2.443 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653452 672125430 /nfs/dbraw/zinc/12/54/30/672125430.db2.gz LIXZVSXMCVDYTL-STQMWFEESA-N 1 0 353.423 2.169 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 ZINC000583871302 672134393 /nfs/dbraw/zinc/13/43/93/672134393.db2.gz ZHHGVIZIJATSBA-ZBFHGGJFSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000136227075 672137846 /nfs/dbraw/zinc/13/78/46/672137846.db2.gz FEGYWCIHJSTMQG-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000583994145 672145574 /nfs/dbraw/zinc/14/55/74/672145574.db2.gz OFSRCJJDRAUHQE-XYPYZODXSA-N 1 0 361.851 2.292 20 5 FEBDRO [NH3+]CCC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000584060620 672152401 /nfs/dbraw/zinc/15/24/01/672152401.db2.gz WTQBANHLWJDVOF-UHFFFAOYSA-N 1 0 370.247 2.487 20 5 FEBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sccc1C(N)=O ZINC000180432144 672413649 /nfs/dbraw/zinc/41/36/49/672413649.db2.gz AOGZPIVUDJYGRE-UWVGGRQHSA-N 1 0 362.411 2.433 20 5 FEBDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000589162691 672510726 /nfs/dbraw/zinc/51/07/26/672510726.db2.gz SVCJMJWYVHTFIE-XDTLVQLUSA-N 1 0 363.336 2.459 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000590045991 672555946 /nfs/dbraw/zinc/55/59/46/672555946.db2.gz ZJDCEWQOQCNUPU-ZANVPECISA-N 1 0 354.204 2.133 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447667 672583295 /nfs/dbraw/zinc/58/32/95/672583295.db2.gz ZCRQIEAYFWQJBQ-TVQRCGJNSA-N 1 0 354.204 2.133 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000590446699 672583585 /nfs/dbraw/zinc/58/35/85/672583585.db2.gz VVDARYOEMHCPJI-QGZVFWFLSA-N 1 0 363.483 2.471 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591356395 672675529 /nfs/dbraw/zinc/67/55/29/672675529.db2.gz PVJKIAAKTPYAJI-BXUZGUMPSA-N 1 0 352.822 2.184 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000591735583 672706754 /nfs/dbraw/zinc/70/67/54/672706754.db2.gz ODXJJCJLNOISPS-HNNXBMFYSA-N 1 0 350.346 2.142 20 5 FEBDRO CSc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000193632092 672731327 /nfs/dbraw/zinc/73/13/27/672731327.db2.gz ACXFZLXXDHKIHZ-UHFFFAOYSA-N 1 0 353.444 2.159 20 5 FEBDRO CSC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132247 672762298 /nfs/dbraw/zinc/76/22/98/672762298.db2.gz DRYOJWLNKDHDMA-JYJNAYRXSA-N 1 0 354.472 2.424 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592166746 672766142 /nfs/dbraw/zinc/76/61/42/672766142.db2.gz KXIXRHYVCYNYRY-XPKDYRNWSA-N 1 0 369.443 2.041 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592168699 672766821 /nfs/dbraw/zinc/76/68/21/672766821.db2.gz YVPFNCCWGGVGAV-QZKOUSHUSA-N 1 0 353.444 2.420 20 5 FEBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@]1(O)CCOC1 ZINC000592396127 672797274 /nfs/dbraw/zinc/79/72/74/672797274.db2.gz HNZKITVGRGXKEP-CPUCHLNUSA-N 1 0 352.435 2.042 20 5 FEBDRO COc1cc(CN2CC[NH2+]C[C@@H]2C(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000592490322 672808394 /nfs/dbraw/zinc/80/83/94/672808394.db2.gz GDGDHSLJWBKFEE-SNVBAGLBSA-N 1 0 367.299 2.244 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061668 672869938 /nfs/dbraw/zinc/86/99/38/672869938.db2.gz KYBDYGLEZPBEPE-STQMWFEESA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529477 672934829 /nfs/dbraw/zinc/93/48/29/672934829.db2.gz BRWXRNFMHXJOOY-OKILXGFUSA-N 1 0 370.475 2.026 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534729 672936209 /nfs/dbraw/zinc/93/62/09/672936209.db2.gz RJWZHERYLZHWSD-VNHYZAJKSA-N 1 0 368.459 2.016 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCc2ccccc2C[NH2+]C)cc1[N+](=O)[O-] ZINC000593729574 672983538 /nfs/dbraw/zinc/98/35/38/672983538.db2.gz FTWIEZRTFWINOJ-UHFFFAOYSA-N 1 0 363.439 2.355 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593733736 672984864 /nfs/dbraw/zinc/98/48/64/672984864.db2.gz ILOSLUXJEKRPHS-SWLSCSKDSA-N 1 0 355.460 2.295 20 5 FEBDRO O=C(NCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000593919416 673008123 /nfs/dbraw/zinc/00/81/23/673008123.db2.gz QKLLKLULTCNHMW-UHFFFAOYSA-N 1 0 356.220 2.477 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027711 673022220 /nfs/dbraw/zinc/02/22/20/673022220.db2.gz YPWOIYUAUNUGIT-YJBOKZPZSA-N 1 0 350.415 2.368 20 5 FEBDRO CCOC(=O)CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594052769 673025997 /nfs/dbraw/zinc/02/59/97/673025997.db2.gz LCEYUYBJTBQENN-UHFFFAOYSA-N 1 0 351.403 2.221 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594102130 673031394 /nfs/dbraw/zinc/03/13/94/673031394.db2.gz FALZXCMLAASCHV-BJHJDKERSA-N 1 0 355.822 2.474 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000594102162 673031469 /nfs/dbraw/zinc/03/14/69/673031469.db2.gz GJNTWZIFLVSFPF-GSJFWJNXSA-N 1 0 370.247 2.356 20 5 FEBDRO [NH3+]C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450737 673073919 /nfs/dbraw/zinc/07/39/19/673073919.db2.gz XPJRVSFSUCXMMB-JTQLQIEISA-N 1 0 355.700 2.023 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594483752 673088064 /nfs/dbraw/zinc/08/80/64/673088064.db2.gz PEBSZJHJPCASEI-CVEARBPZSA-N 1 0 353.444 2.031 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000725373846 673089257 /nfs/dbraw/zinc/08/92/57/673089257.db2.gz YTTRPYPDYSRYGQ-CQSZACIVSA-N 1 0 367.471 2.385 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594770948 673136788 /nfs/dbraw/zinc/13/67/88/673136788.db2.gz LDFKIQGOBSSLAU-GFCCVEGCSA-N 1 0 366.443 2.152 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594775636 673138282 /nfs/dbraw/zinc/13/82/82/673138282.db2.gz FADLHSVMKNWOCR-GFCCVEGCSA-N 1 0 366.443 2.150 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000594982968 673182854 /nfs/dbraw/zinc/18/28/54/673182854.db2.gz DGFFIQIUTQENNE-OCCSQVGLSA-N 1 0 352.387 2.194 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595019661 673186667 /nfs/dbraw/zinc/18/66/67/673186667.db2.gz OYQZWAGLFZFCOU-JTQLQIEISA-N 1 0 365.402 2.143 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(C)cc1[N+](=O)[O-] ZINC000595107189 673193921 /nfs/dbraw/zinc/19/39/21/673193921.db2.gz DZCISHAILULKOJ-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033532 673203107 /nfs/dbraw/zinc/20/31/07/673203107.db2.gz YCSPVVZGRVYNGK-BZNIZROVSA-N 1 0 353.806 2.370 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595344906 673228606 /nfs/dbraw/zinc/22/86/06/673228606.db2.gz KYPBMTLOVODRFF-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815278 673327453 /nfs/dbraw/zinc/32/74/53/673327453.db2.gz NQMPUXLVODJJIN-CABCVRRESA-N 1 0 350.415 2.368 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596085182 673357024 /nfs/dbraw/zinc/35/70/24/673357024.db2.gz CKYTXIFJSXPRGX-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO COC(=O)c1c(Cl)c(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596085973 673357354 /nfs/dbraw/zinc/35/73/54/673357354.db2.gz QUOYUXZWBKCYCQ-UHFFFAOYSA-N 1 0 371.821 2.294 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732223589 673359387 /nfs/dbraw/zinc/35/93/87/673359387.db2.gz IOSBTXGKIVFGEF-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000596249874 673371718 /nfs/dbraw/zinc/37/17/18/673371718.db2.gz BSUMDROFDXJQJB-UHFFFAOYSA-N 1 0 373.251 2.082 20 5 FEBDRO Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596269745 673373162 /nfs/dbraw/zinc/37/31/62/673373162.db2.gz FAVDMPKKNYPNJJ-UHFFFAOYSA-N 1 0 354.476 2.173 20 5 FEBDRO NS(=O)(=O)c1c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000596477890 673388554 /nfs/dbraw/zinc/38/85/54/673388554.db2.gz LKFXEGMZFKWNRS-GFCCVEGCSA-N 1 0 368.459 2.061 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596489293 673389327 /nfs/dbraw/zinc/38/93/27/673389327.db2.gz TTWGMDFRUIFDJN-ZDUSSCGKSA-N 1 0 368.821 2.311 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000596565734 673394158 /nfs/dbraw/zinc/39/41/58/673394158.db2.gz FERJUMASMJJABD-LLVKDONJSA-N 1 0 373.251 2.299 20 5 FEBDRO COc1cc(C[NH2+]CC[S@](C)=O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000735084290 673481346 /nfs/dbraw/zinc/48/13/46/673481346.db2.gz FGQLJOFMWGKATP-DEOSSOPVSA-N 1 0 370.349 2.013 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597573576 673488683 /nfs/dbraw/zinc/48/86/83/673488683.db2.gz FSIHYCAPPNGYGV-KRWDZBQOSA-N 1 0 367.471 2.236 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000597943362 673522262 /nfs/dbraw/zinc/52/22/62/673522262.db2.gz ZHVYGJGMCVJTDY-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO COC(=O)c1ccnc(N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000598587570 673586755 /nfs/dbraw/zinc/58/67/55/673586755.db2.gz BZNRFYUWVDKOSL-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598621445 673591646 /nfs/dbraw/zinc/59/16/46/673591646.db2.gz WKXPIKZEJMUJEO-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000598670583 673596878 /nfs/dbraw/zinc/59/68/78/673596878.db2.gz VEPCTLNFHAYORO-MEDUHNTESA-N 1 0 353.806 2.357 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000542881013 673612835 /nfs/dbraw/zinc/61/28/35/673612835.db2.gz JNDYAAIELZKANT-HNNXBMFYSA-N 1 0 350.346 2.445 20 5 FEBDRO C[C@H]1CCCC[C@H]1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543176603 673630514 /nfs/dbraw/zinc/63/05/14/673630514.db2.gz HEEJBRWVZSCTCW-KBPBESRZSA-N 1 0 355.460 2.289 20 5 FEBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000599072179 673631269 /nfs/dbraw/zinc/63/12/69/673631269.db2.gz DQFVMWFTJXUQJV-NWANDNLSSA-N 1 0 355.460 2.414 20 5 FEBDRO CCC1([NH+]2CCOCC2)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000599188614 673639638 /nfs/dbraw/zinc/63/96/38/673639638.db2.gz UTJNJTOQHDUNHI-UHFFFAOYSA-N 1 0 365.459 2.385 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000543673256 673660670 /nfs/dbraw/zinc/66/06/70/673660670.db2.gz MLWCEKATLYFQAF-GXTWGEPZSA-N 1 0 355.460 2.172 20 5 FEBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC000599532951 673688945 /nfs/dbraw/zinc/68/89/45/673688945.db2.gz DVKIZFVUJCRWBO-GFCCVEGCSA-N 1 0 361.427 2.287 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000742139110 673708347 /nfs/dbraw/zinc/70/83/47/673708347.db2.gz TWVYBEIWDLLXPC-ZDUSSCGKSA-N 1 0 353.394 2.446 20 5 FEBDRO Cc1c(Br)c(N2CC[C@@H](OCC[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC000544396101 673710229 /nfs/dbraw/zinc/71/02/29/673710229.db2.gz VZVBCAVOTWMHAN-LLVKDONJSA-N 1 0 373.251 2.218 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744423280 673795758 /nfs/dbraw/zinc/79/57/58/673795758.db2.gz CCZIQKXRSAINAR-GFCCVEGCSA-N 1 0 354.838 2.460 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000600957626 673813794 /nfs/dbraw/zinc/81/37/94/673813794.db2.gz QUUYJLISNWYUER-GFCCVEGCSA-N 1 0 363.443 2.194 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000601114043 673826702 /nfs/dbraw/zinc/82/67/02/673826702.db2.gz VGAIZHRTHHJXIS-GFCCVEGCSA-N 1 0 365.821 2.209 20 5 FEBDRO C[NH+](C)C1(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000745743781 673848992 /nfs/dbraw/zinc/84/89/92/673848992.db2.gz KQZRPQQIFYULMK-UHFFFAOYSA-N 1 0 353.394 2.493 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601374104 673850843 /nfs/dbraw/zinc/85/08/43/673850843.db2.gz ALDZRYBPFOUKAD-NWDGAFQWSA-N 1 0 359.473 2.070 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000601428850 673860703 /nfs/dbraw/zinc/86/07/03/673860703.db2.gz GQDRHQHBAVIFGZ-OAHLLOKOSA-N 1 0 355.460 2.056 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(F)F ZINC000602497220 673906969 /nfs/dbraw/zinc/90/69/69/673906969.db2.gz ZXUKYVRKUJUUPI-SSDOTTSWSA-N 1 0 352.135 2.070 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H](O)COCC2CC2)cc1Br ZINC000602526167 673907270 /nfs/dbraw/zinc/90/72/70/673907270.db2.gz MSNUFTUEGRAHRI-VIFPVBQESA-N 1 0 365.249 2.296 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H](O)COCC2CC2)cc1Br ZINC000602526166 673907444 /nfs/dbraw/zinc/90/74/44/673907444.db2.gz MSNUFTUEGRAHRI-SECBINFHSA-N 1 0 365.249 2.296 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000602540660 673907711 /nfs/dbraw/zinc/90/77/11/673907711.db2.gz MQORCDZMOBBGBG-SKDRFNHKSA-N 1 0 361.320 2.203 20 5 FEBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](O)C(F)(F)F ZINC000602579338 673908231 /nfs/dbraw/zinc/90/82/31/673908231.db2.gz JTDSWODRWKQDPD-OCCSQVGLSA-N 1 0 362.352 2.250 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602611836 673908794 /nfs/dbraw/zinc/90/87/94/673908794.db2.gz GUEFSEUDZHPVCT-QWHCGFSZSA-N 1 0 350.419 2.136 20 5 FEBDRO CCN(C[C@H]1CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000602775847 673910936 /nfs/dbraw/zinc/91/09/36/673910936.db2.gz CBVNQOWWAZEHMW-CYBMUJFWSA-N 1 0 363.384 2.306 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000602809132 673911088 /nfs/dbraw/zinc/91/10/88/673911088.db2.gz YVHQWYFAYFVXFW-CYBMUJFWSA-N 1 0 369.219 2.185 20 5 FEBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000602891172 673913189 /nfs/dbraw/zinc/91/31/89/673913189.db2.gz LPZVTMKTIKHNHF-IAGOWNOFSA-N 1 0 350.415 2.273 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000747221505 673913400 /nfs/dbraw/zinc/91/34/00/673913400.db2.gz GBJDXFIQUGSUJZ-UHFFFAOYSA-N 1 0 353.394 2.291 20 5 FEBDRO CCC[C@H]1C[NH2+]CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000566244081 675198060 /nfs/dbraw/zinc/19/80/60/675198060.db2.gz DCXJYQSBMISYTH-AWEZNQCLSA-N 1 0 350.419 2.006 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000566796090 675243706 /nfs/dbraw/zinc/24/37/06/675243706.db2.gz JMXZADMGQLRPRB-UHFFFAOYSA-N 1 0 369.487 2.369 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819052070 675255792 /nfs/dbraw/zinc/25/57/92/675255792.db2.gz ZGBIHPIINRIBKV-HIFRSBDPSA-N 1 0 351.403 2.227 20 5 FEBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000819096575 675259944 /nfs/dbraw/zinc/25/99/44/675259944.db2.gz QREFBVQKYOICNI-ZDUSSCGKSA-N 1 0 351.403 2.302 20 5 FEBDRO C[C@H](O)c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819132258 675263570 /nfs/dbraw/zinc/26/35/70/675263570.db2.gz VGYVVDCNUTZBCY-ZDUSSCGKSA-N 1 0 364.423 2.212 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000567355120 675286760 /nfs/dbraw/zinc/28/67/60/675286760.db2.gz SRALLTAVKLKVOB-UHFFFAOYSA-N 1 0 363.336 2.264 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761550 676226472 /nfs/dbraw/zinc/22/64/72/676226472.db2.gz CNCKZQSLYDTDHN-HOCLYGCPSA-N 1 0 352.456 2.330 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000822121907 675470145 /nfs/dbraw/zinc/47/01/45/675470145.db2.gz NBDLDGKADGLFHP-UHFFFAOYSA-N 1 0 356.810 2.278 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000824086139 675583178 /nfs/dbraw/zinc/58/31/78/675583178.db2.gz SXRKOKQOWJXQGK-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C(F)(F)F ZINC000825202586 675641428 /nfs/dbraw/zinc/64/14/28/675641428.db2.gz SGIIVOWXNPOLKY-CYBMUJFWSA-N 1 0 360.336 2.205 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000825600647 675660648 /nfs/dbraw/zinc/66/06/48/675660648.db2.gz NSKHGOLEXMFEAL-GFCCVEGCSA-N 1 0 352.410 2.260 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825823108 675670320 /nfs/dbraw/zinc/67/03/20/675670320.db2.gz RLLCRXRISGYCOH-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000827456387 675757332 /nfs/dbraw/zinc/75/73/32/675757332.db2.gz KBTMOZHLPUEBSX-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000603640511 675800471 /nfs/dbraw/zinc/80/04/71/675800471.db2.gz SJQWTFCGUUNRHB-OLZOCXBDSA-N 1 0 371.459 2.145 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc([N+](=O)[O-])ccc1Cl)C2=O ZINC000830441631 677039820 /nfs/dbraw/zinc/03/98/20/677039820.db2.gz IRYBRRKICGFZQN-BDJLRTHQSA-N 1 0 366.805 2.188 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1Cl ZINC000840454211 680824177 /nfs/dbraw/zinc/82/41/77/680824177.db2.gz WNRKTDATGWAZPT-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840471870 680825852 /nfs/dbraw/zinc/82/58/52/680825852.db2.gz CWXGNTBMGWJWNG-TZMCWYRMSA-N 1 0 353.806 2.417 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000765799003 680855837 /nfs/dbraw/zinc/85/58/37/680855837.db2.gz WWJVGORZRAKECV-BXKDBHETSA-N 1 0 356.220 2.362 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC12CCOCC2 ZINC000841104534 680863722 /nfs/dbraw/zinc/86/37/22/680863722.db2.gz YCCVFEWYOZLKPX-LLVKDONJSA-N 1 0 368.821 2.467 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000747673593 679895777 /nfs/dbraw/zinc/89/57/77/679895777.db2.gz ZKJCVXSMHUBTTR-UHFFFAOYSA-N 1 0 350.444 2.088 20 5 FEBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C[NH+](C)C ZINC000831714152 680030715 /nfs/dbraw/zinc/03/07/15/680030715.db2.gz UFJUQPPLTDLFTA-LLVKDONJSA-N 1 0 363.336 2.310 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000751390606 680171030 /nfs/dbraw/zinc/17/10/30/680171030.db2.gz JPFGNYHRIUJZHK-CYBMUJFWSA-N 1 0 350.375 2.416 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000832871382 680183526 /nfs/dbraw/zinc/18/35/26/680183526.db2.gz ZGUZBNXKBUGXKO-JTQLQIEISA-N 1 0 354.382 2.151 20 5 FEBDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071839 680221901 /nfs/dbraw/zinc/22/19/01/680221901.db2.gz ZDJUJBLGONDEAY-OLZOCXBDSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1ccc(Cl)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996439881 680332539 /nfs/dbraw/zinc/33/25/39/680332539.db2.gz HSNVUAXFWKXJEI-HUUCEWRRSA-N 1 0 367.833 2.094 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000997771666 680365660 /nfs/dbraw/zinc/36/56/60/680365660.db2.gz JISVOAXCLNMTNR-CZUORRHYSA-N 1 0 369.824 2.473 20 5 FEBDRO CCCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000997773267 680365716 /nfs/dbraw/zinc/36/57/16/680365716.db2.gz VQZZVALZLDHLDZ-HUUCEWRRSA-N 1 0 366.487 2.089 20 5 FEBDRO O=C(NCCCC[NH+]1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756920822 680504823 /nfs/dbraw/zinc/50/48/23/680504823.db2.gz SAOAIONMBNJLPB-UHFFFAOYSA-N 1 0 370.837 2.160 20 5 FEBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000912351976 685357828 /nfs/dbraw/zinc/35/78/28/685357828.db2.gz LUXLXIBGJFHXBF-UHFFFAOYSA-N 1 0 351.378 2.107 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000837005957 680540342 /nfs/dbraw/zinc/54/03/42/680540342.db2.gz XBQZFBDXJJWQDN-GFCCVEGCSA-N 1 0 352.410 2.356 20 5 FEBDRO O=C(NCC[C@@H]1CC[NH2+]C1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161466 680866895 /nfs/dbraw/zinc/86/68/95/680866895.db2.gz LBNPMOWCFTZZRV-VIFPVBQESA-N 1 0 357.208 2.478 20 5 FEBDRO C[NH+](C)CCNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000841748865 680910206 /nfs/dbraw/zinc/91/02/06/680910206.db2.gz BLYVDEUOCYPUGS-NSHDSACASA-N 1 0 352.288 2.198 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841856771 680914825 /nfs/dbraw/zinc/91/48/25/680914825.db2.gz AVXHGDUQKROHQS-NQBHXWOUSA-N 1 0 352.822 2.436 20 5 FEBDRO CC1(C)CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000842312062 680937958 /nfs/dbraw/zinc/93/79/58/680937958.db2.gz BWOTUCNXTJELJV-UHFFFAOYSA-N 1 0 367.349 2.077 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000768864442 680962203 /nfs/dbraw/zinc/96/22/03/680962203.db2.gz RAHIECVLMXVRBV-SMDDNHRTSA-N 1 0 371.484 2.294 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842827953 680970003 /nfs/dbraw/zinc/97/00/03/680970003.db2.gz WNGHNRDHCOLDCF-AWEZNQCLSA-N 1 0 361.851 2.225 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000843369064 681000274 /nfs/dbraw/zinc/00/02/74/681000274.db2.gz VQHOKVGYLFBGAB-SCDSUCTJSA-N 1 0 352.822 2.246 20 5 FEBDRO O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843379447 681000641 /nfs/dbraw/zinc/00/06/41/681000641.db2.gz GOFULVPPDCSTOC-MRXNPFEDSA-N 1 0 352.822 2.262 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000844154019 681042317 /nfs/dbraw/zinc/04/23/17/681042317.db2.gz RANQIBVTLNGCPD-UHFFFAOYSA-N 1 0 367.833 2.493 20 5 FEBDRO CC(C)(O)C[NH+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000932161663 681185806 /nfs/dbraw/zinc/18/58/06/681185806.db2.gz PPTIRFPHNSVDOT-UHFFFAOYSA-N 1 0 369.849 2.096 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933738908 681460630 /nfs/dbraw/zinc/46/06/30/681460630.db2.gz PEYMUOJKFKJRGX-NVGCLXPQSA-N 1 0 366.849 2.459 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933973556 681490430 /nfs/dbraw/zinc/49/04/30/681490430.db2.gz MGNRLXZFJXTRMR-AWEZNQCLSA-N 1 0 350.448 2.013 20 5 FEBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NOC/C=C\Cl)c2)CC1 ZINC000934041288 681499901 /nfs/dbraw/zinc/49/99/01/681499901.db2.gz XXZMIHFBHZHMKR-DJWKRKHSSA-N 1 0 369.809 2.152 20 5 FEBDRO C[C@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Br)c1 ZINC000934497895 681580157 /nfs/dbraw/zinc/58/01/57/681580157.db2.gz RZAHRDXLUIRYCT-CQSZACIVSA-N 1 0 369.219 2.051 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848658154 681594963 /nfs/dbraw/zinc/59/49/63/681594963.db2.gz DAKLRZBHVICRPH-HNNXBMFYSA-N 1 0 364.471 2.478 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903022 685466199 /nfs/dbraw/zinc/46/61/99/685466199.db2.gz KLAYYKFMCLBMDX-JTQLQIEISA-N 1 0 354.204 2.278 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000913284782 685475072 /nfs/dbraw/zinc/47/50/72/685475072.db2.gz QNZUGGMNIOZMFO-HOTGVXAUSA-N 1 0 361.427 2.013 20 5 FEBDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913387395 685476194 /nfs/dbraw/zinc/47/61/94/685476194.db2.gz OCXJDUYRZCLJRY-UHFFFAOYSA-N 1 0 373.812 2.362 20 5 FEBDRO Cc1c(C(=O)NCC[N@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000783921468 682187159 /nfs/dbraw/zinc/18/71/59/682187159.db2.gz SFPRPHVINAKAMV-SNVBAGLBSA-N 1 0 350.375 2.334 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854653271 682575860 /nfs/dbraw/zinc/57/58/60/682575860.db2.gz XTPFIKANXDYWGJ-OTYXRUKQSA-N 1 0 368.821 2.371 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855160145 682633979 /nfs/dbraw/zinc/63/39/79/682633979.db2.gz OJHMZEVUSCQKFI-NSHDSACASA-N 1 0 350.375 2.353 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855346286 682659689 /nfs/dbraw/zinc/65/96/89/682659689.db2.gz VIZMQWBAZALYKF-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000855490927 682676072 /nfs/dbraw/zinc/67/60/72/682676072.db2.gz MFQVBVNQQSITIY-LBPRGKRZSA-N 1 0 352.410 2.356 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000793217426 682873682 /nfs/dbraw/zinc/87/36/82/682873682.db2.gz OMPZXMCEXVGCLV-JTQLQIEISA-N 1 0 355.391 2.312 20 5 FEBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857763293 682910781 /nfs/dbraw/zinc/91/07/81/682910781.db2.gz VONGCRLJEOTSQY-LLVKDONJSA-N 1 0 355.341 2.357 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795698273 683082256 /nfs/dbraw/zinc/08/22/56/683082256.db2.gz DCNJFCVMEBXTER-MNOVXSKESA-N 1 0 358.240 2.070 20 5 FEBDRO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000796303165 683151030 /nfs/dbraw/zinc/15/10/30/683151030.db2.gz HLKVMZSEHSMHHX-AWEZNQCLSA-N 1 0 362.304 2.401 20 5 FEBDRO CCO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CN(C)C ZINC000926960223 683189421 /nfs/dbraw/zinc/18/94/21/683189421.db2.gz FQNFLICZWQDXNP-SFHVURJKSA-N 1 0 350.463 2.120 20 5 FEBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000920597784 683354417 /nfs/dbraw/zinc/35/44/17/683354417.db2.gz AMVDPTMFDAKZAM-ZBFHGGJFSA-N 1 0 364.471 2.016 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928100792 683391739 /nfs/dbraw/zinc/39/17/39/683391739.db2.gz ZPHPTTFULYVRAV-GOEBONIOSA-N 1 0 364.471 2.093 20 5 FEBDRO COc1cc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000861350999 683395729 /nfs/dbraw/zinc/39/57/29/683395729.db2.gz BCXCGOFIRHFFMO-HWPZZCPQSA-N 1 0 356.350 2.009 20 5 FEBDRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000921311689 683418427 /nfs/dbraw/zinc/41/84/27/683418427.db2.gz ZFBFASPGTOAEOE-MLGOLLRUSA-N 1 0 352.460 2.392 20 5 FEBDRO NC(=O)C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929770260 683637248 /nfs/dbraw/zinc/63/72/48/683637248.db2.gz DMBWCLVARSQAFR-JTQLQIEISA-N 1 0 356.220 2.445 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000864961753 683914583 /nfs/dbraw/zinc/91/45/83/683914583.db2.gz DVSPHNRJIQIWIC-LBPRGKRZSA-N 1 0 370.247 2.358 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866229566 684084893 /nfs/dbraw/zinc/08/48/93/684084893.db2.gz LSDSWNRJEZICEV-LBPRGKRZSA-N 1 0 373.450 2.069 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000866863666 684170206 /nfs/dbraw/zinc/17/02/06/684170206.db2.gz RWQRKONUMXBTIT-GXTWGEPZSA-N 1 0 373.450 2.393 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000866985658 684191400 /nfs/dbraw/zinc/19/14/00/684191400.db2.gz KBRRPOSEHZSREH-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1F ZINC000867262307 684234575 /nfs/dbraw/zinc/23/45/75/684234575.db2.gz TUHCUHQLNILQAV-CHWSQXEVSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1ccc(NC(=O)CCN2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000923442309 684281695 /nfs/dbraw/zinc/28/16/95/684281695.db2.gz MOVIBVPQYLFESL-AGIUHOORSA-N 1 0 350.419 2.003 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867599529 684325856 /nfs/dbraw/zinc/32/58/56/684325856.db2.gz AOQFLMLDBWSMSP-UHFFFAOYSA-N 1 0 371.434 2.373 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925137597 684527169 /nfs/dbraw/zinc/52/71/69/684527169.db2.gz DCWCZSKQCUGCSN-TZMCWYRMSA-N 1 0 366.443 2.305 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000872083035 684918442 /nfs/dbraw/zinc/91/84/42/684918442.db2.gz GGFTZDFPDQTZBL-MNOVXSKESA-N 1 0 359.473 2.001 20 5 FEBDRO COc1ccc(OCCN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151247 684922930 /nfs/dbraw/zinc/92/29/30/684922930.db2.gz JZDGGXNKYFNGTA-ZYHUDNBSSA-N 1 0 363.336 2.051 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874829714 685677558 /nfs/dbraw/zinc/67/75/58/685677558.db2.gz NANJODXHBXUFSF-KBPBESRZSA-N 1 0 350.394 2.109 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875128562 685738270 /nfs/dbraw/zinc/73/82/70/685738270.db2.gz OWYRJXFXHGDGOQ-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CCSC)cc([N+](=O)[O-])c2)CC1 ZINC000876230470 686161814 /nfs/dbraw/zinc/16/18/14/686161814.db2.gz CJWQXKLRGPDWCW-UHFFFAOYSA-N 1 0 366.487 2.453 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCN(c4ncccc4Cl)C3)C2)c1 ZINC000877095876 686325032 /nfs/dbraw/zinc/32/50/32/686325032.db2.gz UXIROCVTIJXYRH-PNESKVBLSA-N 1 0 362.821 2.412 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877358120 686362048 /nfs/dbraw/zinc/36/20/48/686362048.db2.gz BCQTUJNUMXADQD-JGVFFNPUSA-N 1 0 351.712 2.457 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000877377205 686369398 /nfs/dbraw/zinc/36/93/98/686369398.db2.gz YILHHFSZSMRUDM-LKFCYVNXSA-N 1 0 354.204 2.039 20 5 FEBDRO O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000877392018 686371385 /nfs/dbraw/zinc/37/13/85/686371385.db2.gz KVEPXSJJDZBPJW-TZMCWYRMSA-N 1 0 354.204 2.372 20 5 FEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481812 686387581 /nfs/dbraw/zinc/38/75/81/686387581.db2.gz SXRAFDXKZMTDTP-HZPDHXFCSA-N 1 0 352.431 2.057 20 5 FEBDRO O=C1NCCC12CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000877783173 686457049 /nfs/dbraw/zinc/45/70/49/686457049.db2.gz HWKSREKJXUPGHV-UHFFFAOYSA-N 1 0 368.231 2.459 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000878640327 686625948 /nfs/dbraw/zinc/62/59/48/686625948.db2.gz HNAWTDCZYBDONJ-YGRLFVJLSA-N 1 0 363.805 2.434 20 5 FEBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000879307702 686792192 /nfs/dbraw/zinc/79/21/92/686792192.db2.gz BMBUZXIFKSJGDN-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000879735180 686897015 /nfs/dbraw/zinc/89/70/15/686897015.db2.gz UTWQHBUIVDSVJN-INIZCTEOSA-N 1 0 368.455 2.450 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478462 687642552 /nfs/dbraw/zinc/64/25/52/687642552.db2.gz KRUAMVAKABMRCH-UHFFFAOYSA-N 1 0 353.444 2.064 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899581 688336467 /nfs/dbraw/zinc/33/64/67/688336467.db2.gz OROGHZMBTVWPCW-INIZCTEOSA-N 1 0 353.444 2.058 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886899857 688336471 /nfs/dbraw/zinc/33/64/71/688336471.db2.gz WRUBNXDKQVGDPA-MRXNPFEDSA-N 1 0 353.444 2.058 20 5 FEBDRO Cn1c2ccccc2c(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1=O ZINC000892796145 689245120 /nfs/dbraw/zinc/24/51/20/689245120.db2.gz IDMJRDCEMGUEQR-QGZVFWFLSA-N 1 0 362.455 2.296 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000893021303 689282685 /nfs/dbraw/zinc/28/26/85/689282685.db2.gz BHAZJQWRVKIESO-UKRRQHHQSA-N 1 0 351.451 2.211 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000893304070 689328802 /nfs/dbraw/zinc/32/88/02/689328802.db2.gz KBCNSJMMSCVRPL-DZGCQCFKSA-N 1 0 374.846 2.074 20 5 FEBDRO C[C@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246451 689683384 /nfs/dbraw/zinc/68/33/84/689683384.db2.gz BTCJVGMKIWQYAF-GWCFXTLKSA-N 1 0 357.252 2.404 20 5 FEBDRO COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895705790 689757695 /nfs/dbraw/zinc/75/76/95/689757695.db2.gz BPNXAQCUTGWLGW-QGZVFWFLSA-N 1 0 362.407 2.433 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898121980 690131425 /nfs/dbraw/zinc/13/14/25/690131425.db2.gz BYNOYHIYMMAMJC-UHFFFAOYSA-N 1 0 367.833 2.215 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903216561 690868285 /nfs/dbraw/zinc/86/82/85/690868285.db2.gz DCTCHJKZQRYSCP-ZIAGYGMSSA-N 1 0 357.204 2.395 20 5 FEBDRO CO[C@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000903309180 690880785 /nfs/dbraw/zinc/88/07/85/690880785.db2.gz CTDFCUVPPBYDMU-WBMJQRKESA-N 1 0 353.444 2.424 20 5 FEBDRO CO[C@]1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCS(=O)(=O)C1 ZINC000903362796 690885706 /nfs/dbraw/zinc/88/57/06/690885706.db2.gz JOBIIFQXQSMTDZ-ABAIWWIYSA-N 1 0 374.484 2.171 20 5 FEBDRO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903877464 690982508 /nfs/dbraw/zinc/98/25/08/690982508.db2.gz ALKCFQOQVRYWQA-CQSZACIVSA-N 1 0 364.837 2.396 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1 ZINC000905438723 691119104 /nfs/dbraw/zinc/11/91/04/691119104.db2.gz BAEPCDFGWSNMMJ-AWEZNQCLSA-N 1 0 354.428 2.060 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000905477286 691123843 /nfs/dbraw/zinc/12/38/43/691123843.db2.gz DKOXNOYCANUMFQ-RDJZCZTQSA-N 1 0 350.415 2.273 20 5 FEBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000905487952 691125054 /nfs/dbraw/zinc/12/50/54/691125054.db2.gz VMYPRUPIHMABJZ-FRULXJFHSA-N 1 0 350.415 2.190 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC(CC3CCOCC3)C2)c1 ZINC000905976293 691204533 /nfs/dbraw/zinc/20/45/33/691204533.db2.gz ABLVFXVRXZLMDB-QGZVFWFLSA-N 1 0 350.415 2.083 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910295116 691912786 /nfs/dbraw/zinc/91/27/86/691912786.db2.gz VBXONQGDBYGFET-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911993 721529729 /nfs/dbraw/zinc/52/97/29/721529729.db2.gz XYRUOKZXGBTCGO-ZBFHGGJFSA-N 1 0 373.388 2.174 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc1Cl ZINC001164928547 721858206 /nfs/dbraw/zinc/85/82/06/721858206.db2.gz OEYCUIHQQQOYRW-QWHCGFSZSA-N 1 0 353.854 2.166 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932683 721861031 /nfs/dbraw/zinc/86/10/31/721861031.db2.gz ZLEPRCGLUVIEIM-HOTGVXAUSA-N 1 0 355.442 2.358 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486981571 888547653 /nfs/dbraw/zinc/54/76/53/888547653.db2.gz OJAHGTBIGBPMBI-ZDUSSCGKSA-N 1 0 360.418 2.083 20 5 FEBDRO CC(C)Oc1nc(NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000519559501 539492235 /nfs/dbraw/zinc/49/22/35/539492235.db2.gz XTGGYBIAMQZBRT-UHFFFAOYSA-N 1 0 351.451 2.215 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+](C)CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000026262698 539782496 /nfs/dbraw/zinc/78/24/96/539782496.db2.gz DKBOLTXEFLJMJW-UHFFFAOYSA-N 1 0 350.419 2.078 20 5 FEBDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041660721 540029736 /nfs/dbraw/zinc/02/97/36/540029736.db2.gz LRKVGMMVHWGNOT-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000043151404 540092372 /nfs/dbraw/zinc/09/23/72/540092372.db2.gz BONBORQCEHJQKC-OAHLLOKOSA-N 1 0 350.419 2.382 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000045744912 540225045 /nfs/dbraw/zinc/22/50/45/540225045.db2.gz ZUFZWABVJZRHAF-STQMWFEESA-N 1 0 355.460 2.302 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000046996836 540283643 /nfs/dbraw/zinc/28/36/43/540283643.db2.gz NSDWNZOHWQGDKJ-UONOGXRCSA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000047213296 540297209 /nfs/dbraw/zinc/29/72/09/540297209.db2.gz ZHPORMUHSNDKGG-KGLIPLIRSA-N 1 0 372.429 2.026 20 5 FEBDRO NC(=O)c1ccc(CN2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000049982000 540395865 /nfs/dbraw/zinc/39/58/65/540395865.db2.gz VKEMJNICYVJYHP-UHFFFAOYSA-N 1 0 360.458 2.392 20 5 FEBDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051735961 540442228 /nfs/dbraw/zinc/44/22/28/540442228.db2.gz AEJFSSHNWOPUEN-CYBMUJFWSA-N 1 0 363.439 2.478 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000055245881 540639836 /nfs/dbraw/zinc/63/98/36/540639836.db2.gz NFRRFASIAMTKBM-UHFFFAOYSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000056140880 540706056 /nfs/dbraw/zinc/70/60/56/540706056.db2.gz VBASSSZXHSYMTG-AGUYFDCRSA-N 1 0 353.444 2.054 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000056890532 540753613 /nfs/dbraw/zinc/75/36/13/540753613.db2.gz OJJLWXOBOBTVOC-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO NC(=O)c1ccc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000057141366 540771433 /nfs/dbraw/zinc/77/14/33/540771433.db2.gz UECBASZERXKAOB-UHFFFAOYSA-N 1 0 360.439 2.120 20 5 FEBDRO CC[NH+]1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000058194180 540832639 /nfs/dbraw/zinc/83/26/39/540832639.db2.gz OOQANXPIGAFWBT-UHFFFAOYSA-N 1 0 361.183 2.341 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000058841116 540857640 /nfs/dbraw/zinc/85/76/40/540857640.db2.gz WCWOYBPVNMRFIQ-STQMWFEESA-N 1 0 360.414 2.305 20 5 FEBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CCCCC1 ZINC000058666364 540852369 /nfs/dbraw/zinc/85/23/69/540852369.db2.gz BPRIGDBOZHJKJF-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1cc(C[NH2+]CC(=O)N(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061030385 541124668 /nfs/dbraw/zinc/12/46/68/541124668.db2.gz GKVSGDCRHFXDAB-UHFFFAOYSA-N 1 0 373.409 2.360 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000061781749 541139059 /nfs/dbraw/zinc/13/90/59/541139059.db2.gz RKIPXDMVTNEXRF-KRWDZBQOSA-N 1 0 370.409 2.261 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000063852772 541188912 /nfs/dbraw/zinc/18/89/12/541188912.db2.gz CYKLBNOEJKZXIQ-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000063662620 541177338 /nfs/dbraw/zinc/17/73/38/541177338.db2.gz RLJXYEGUJYKEKJ-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000064311585 541201000 /nfs/dbraw/zinc/20/10/00/541201000.db2.gz LBJFXEBFWLIIOA-OKILXGFUSA-N 1 0 351.451 2.054 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])cc2)CC1 ZINC000064336701 541202020 /nfs/dbraw/zinc/20/20/20/541202020.db2.gz QZWGQDZNUFETQA-UHFFFAOYSA-N 1 0 372.429 2.016 20 5 FEBDRO CN(CC[N@H+](C)C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065971492 541275171 /nfs/dbraw/zinc/27/51/71/541275171.db2.gz AOSNDXWVRUATDA-UHFFFAOYSA-N 1 0 355.460 2.480 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133874 541422064 /nfs/dbraw/zinc/42/20/64/541422064.db2.gz NMVSTSYRXQMMRI-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000067380269 541452863 /nfs/dbraw/zinc/45/28/63/541452863.db2.gz CJAKSVOLKFZURM-UHFFFAOYSA-N 1 0 370.409 2.090 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000068179768 541558535 /nfs/dbraw/zinc/55/85/35/541558535.db2.gz XVQUPZQRIRUGCD-GASCZTMLSA-N 1 0 374.441 2.165 20 5 FEBDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068218032 541564946 /nfs/dbraw/zinc/56/49/46/541564946.db2.gz BDDOXQWXVAVBNO-MRXNPFEDSA-N 1 0 356.426 2.296 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440083 541687338 /nfs/dbraw/zinc/68/73/38/541687338.db2.gz KEQOGBVAJAOZAR-AWEZNQCLSA-N 1 0 350.419 2.005 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069428351 541685776 /nfs/dbraw/zinc/68/57/76/541685776.db2.gz UMAPUTFZUNWPSK-UHFFFAOYSA-N 1 0 364.446 2.395 20 5 FEBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069711290 541707182 /nfs/dbraw/zinc/70/71/82/541707182.db2.gz GYODLCQTKCWJMB-ZGRWHYIRSA-N 1 0 359.426 2.179 20 5 FEBDRO COc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000071826306 541773599 /nfs/dbraw/zinc/77/35/99/541773599.db2.gz UHVKHJWXRQPIGE-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO COC(=O)/C=C/c1ccc(NCC2([NH+](C)C)CCOCC2)c([N+](=O)[O-])c1 ZINC000072947500 541895563 /nfs/dbraw/zinc/89/55/63/541895563.db2.gz OXUSMOJZXLAVIL-FNORWQNLSA-N 1 0 363.414 2.304 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073133686 541922561 /nfs/dbraw/zinc/92/25/61/541922561.db2.gz ZKNVNDMMHGWKIU-ZDUSSCGKSA-N 1 0 367.471 2.302 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000073247790 541934423 /nfs/dbraw/zinc/93/44/23/541934423.db2.gz OSTXMXQYJNNALL-UHFFFAOYSA-N 1 0 363.458 2.487 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000074772695 542120037 /nfs/dbraw/zinc/12/00/37/542120037.db2.gz PHQROJPXJVTRFQ-AWEZNQCLSA-N 1 0 367.471 2.166 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000075604327 542192295 /nfs/dbraw/zinc/19/22/95/542192295.db2.gz ZYVNYXANJXDDRA-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000075641219 542194980 /nfs/dbraw/zinc/19/49/80/542194980.db2.gz AFNILJCURUDGKD-MRXNPFEDSA-N 1 0 350.806 2.470 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000076329620 542261581 /nfs/dbraw/zinc/26/15/81/542261581.db2.gz MSHQCCATYRTXNN-UHFFFAOYSA-N 1 0 363.462 2.393 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000077450228 542383576 /nfs/dbraw/zinc/38/35/76/542383576.db2.gz GSHUTCWQQKMIMH-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO CC[C@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000078247320 542449187 /nfs/dbraw/zinc/44/91/87/542449187.db2.gz XFFOMGFSQNCDKR-LBPRGKRZSA-N 1 0 358.464 2.035 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078455661 542462115 /nfs/dbraw/zinc/46/21/15/542462115.db2.gz MNSUVGMBJUKAAY-ZDUSSCGKSA-N 1 0 355.460 2.309 20 5 FEBDRO CC[C@@H](CO)[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000078524692 542466267 /nfs/dbraw/zinc/46/62/67/542466267.db2.gz QBGBGWDHUUAEJQ-INIZCTEOSA-N 1 0 371.441 2.253 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078576679 542468966 /nfs/dbraw/zinc/46/89/66/542468966.db2.gz NGVRLRWFBNOGRB-HNNXBMFYSA-N 1 0 371.441 2.480 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000079721222 542538412 /nfs/dbraw/zinc/53/84/12/542538412.db2.gz RXQKBYCXOGQEKR-QGZVFWFLSA-N 1 0 371.441 2.005 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000080818294 542610578 /nfs/dbraw/zinc/61/05/78/542610578.db2.gz IIQAALNNHQFATD-UHFFFAOYSA-N 1 0 369.425 2.285 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCOCC1CC1 ZINC000088600731 542755000 /nfs/dbraw/zinc/75/50/00/542755000.db2.gz HXDQMHRDGKAOIG-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003722 542901602 /nfs/dbraw/zinc/90/16/02/542901602.db2.gz LMPUSUOJQDWCCK-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093754128 542939603 /nfs/dbraw/zinc/93/96/03/542939603.db2.gz ZEPYYQVRGHQTFX-HNNXBMFYSA-N 1 0 374.441 2.480 20 5 FEBDRO Cc1nn(CCC(=O)NCc2cccc(C[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000102330065 543064961 /nfs/dbraw/zinc/06/49/61/543064961.db2.gz HDCDBXVMRZCHNX-UHFFFAOYSA-N 1 0 359.430 2.176 20 5 FEBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000551888128 674169259 /nfs/dbraw/zinc/16/92/59/674169259.db2.gz MGTYHRYGARXBBA-ZBFHGGJFSA-N 1 0 365.455 2.289 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104529821 543134106 /nfs/dbraw/zinc/13/41/06/543134106.db2.gz HVGQXNOKAVMOFW-UHFFFAOYSA-N 1 0 359.430 2.440 20 5 FEBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN1c1cccnn1 ZINC000106086125 543193057 /nfs/dbraw/zinc/19/30/57/543193057.db2.gz JURANBVKTGJCKV-HNNXBMFYSA-N 1 0 357.414 2.364 20 5 FEBDRO Cc1nn(CCC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000107529584 543271843 /nfs/dbraw/zinc/27/18/43/543271843.db2.gz DJLJGFHMLALAJG-INIZCTEOSA-N 1 0 363.462 2.275 20 5 FEBDRO Cn1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108306060 543285715 /nfs/dbraw/zinc/28/57/15/543285715.db2.gz FVDFJCPBDBLDFD-HNNXBMFYSA-N 1 0 369.425 2.209 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108342758 543287155 /nfs/dbraw/zinc/28/71/55/543287155.db2.gz WCYKMBLSNDVEIP-CQSZACIVSA-N 1 0 367.471 2.295 20 5 FEBDRO CN1CC[NH+](CC2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000110014324 543346560 /nfs/dbraw/zinc/34/65/60/543346560.db2.gz IQRPTANWEIGGGU-AATRIKPKSA-N 1 0 372.469 2.094 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113306199 543483996 /nfs/dbraw/zinc/48/39/96/543483996.db2.gz BFWXHMQXSJPWCF-CMPLNLGQSA-N 1 0 373.862 2.414 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000115585876 543576213 /nfs/dbraw/zinc/57/62/13/543576213.db2.gz VKQRQUJFNNAXEZ-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cn1cc(C[NH2+]CCOC[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115625531 543578630 /nfs/dbraw/zinc/57/86/30/543578630.db2.gz QQVAKVGNSZMILZ-KRWDZBQOSA-N 1 0 360.414 2.281 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116064203 543597316 /nfs/dbraw/zinc/59/73/16/543597316.db2.gz YOKIRNPAVHOPRI-AWEZNQCLSA-N 1 0 371.441 2.442 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000116125308 543599666 /nfs/dbraw/zinc/59/96/66/543599666.db2.gz BIEOFHPHYQSBKS-INIZCTEOSA-N 1 0 367.446 2.465 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000116125873 543599825 /nfs/dbraw/zinc/59/98/25/543599825.db2.gz DSZJVAXZDNQPPU-HNNXBMFYSA-N 1 0 365.430 2.478 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000117748768 543639916 /nfs/dbraw/zinc/63/99/16/543639916.db2.gz AJAFTOJEJCPSRG-CHWSQXEVSA-N 1 0 369.849 2.406 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869082 543728715 /nfs/dbraw/zinc/72/87/15/543728715.db2.gz KJLSRYHFMVEZOK-VXGBXAGGSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1c([C@@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000128040326 544029467 /nfs/dbraw/zinc/02/94/67/544029467.db2.gz NOIXOXONFJPUIS-CYBMUJFWSA-N 1 0 363.439 2.444 20 5 FEBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000128834077 544075373 /nfs/dbraw/zinc/07/53/73/544075373.db2.gz FCJZHNCJSICJHB-UHFFFAOYSA-N 1 0 370.409 2.299 20 5 FEBDRO CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000128287360 544044225 /nfs/dbraw/zinc/04/42/25/544044225.db2.gz BNMNIMACJDXMEN-UHFFFAOYSA-N 1 0 361.851 2.355 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128525566 544057340 /nfs/dbraw/zinc/05/73/40/544057340.db2.gz MCOZWWFNSLEMQC-TXEJJXNPSA-N 1 0 351.451 2.123 20 5 FEBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130976870 544172722 /nfs/dbraw/zinc/17/27/22/544172722.db2.gz TWVDAJPHPZWXTL-GJZGRUSLSA-N 1 0 358.398 2.426 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000131080428 544176300 /nfs/dbraw/zinc/17/63/00/544176300.db2.gz UKFQZVUDUNTMIT-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000132273109 544225055 /nfs/dbraw/zinc/22/50/55/544225055.db2.gz URUODEQLOLFBLO-DOTOQJQBSA-N 1 0 371.441 2.303 20 5 FEBDRO Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000133850290 544285898 /nfs/dbraw/zinc/28/58/98/544285898.db2.gz LJXLLOPJESZYCY-CVEARBPZSA-N 1 0 368.441 2.458 20 5 FEBDRO O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000135240742 544338786 /nfs/dbraw/zinc/33/87/86/544338786.db2.gz ZZGDSIMBZWPVBL-UHFFFAOYSA-N 1 0 372.469 2.302 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000146240660 544438353 /nfs/dbraw/zinc/43/83/53/544438353.db2.gz HADLJKCREMWJOI-OAHLLOKOSA-N 1 0 353.444 2.152 20 5 FEBDRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247516491 549348515 /nfs/dbraw/zinc/34/85/15/549348515.db2.gz ZMAWSPILFPVGSO-LXTVHRRPSA-N 1 0 361.446 2.264 20 5 FEBDRO COc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000151752405 544576315 /nfs/dbraw/zinc/57/63/15/544576315.db2.gz IRKOUNSPSJURTC-UHFFFAOYSA-N 1 0 371.459 2.002 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000151857653 544589126 /nfs/dbraw/zinc/58/91/26/544589126.db2.gz GCQMLNALQUGHDR-HIFRSBDPSA-N 1 0 363.414 2.093 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000152485755 544660215 /nfs/dbraw/zinc/66/02/15/544660215.db2.gz YVBFESVDUFUCMZ-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000152938858 544714378 /nfs/dbraw/zinc/71/43/78/544714378.db2.gz IZMIMAWVNWPPTL-QWHCGFSZSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000153294715 544756730 /nfs/dbraw/zinc/75/67/30/544756730.db2.gz DAPQQWSLORXHGD-OLZOCXBDSA-N 1 0 351.403 2.167 20 5 FEBDRO CCOc1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000153153779 544739888 /nfs/dbraw/zinc/73/98/88/544739888.db2.gz NRKJWDGYRMOLSV-AWEZNQCLSA-N 1 0 351.447 2.491 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000154427019 544905482 /nfs/dbraw/zinc/90/54/82/544905482.db2.gz SQHYHTSVNWVIJA-AWEZNQCLSA-N 1 0 362.430 2.175 20 5 FEBDRO CC(C)C(=O)N1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155079216 544986623 /nfs/dbraw/zinc/98/66/23/544986623.db2.gz IAOKUWCZJGQESC-UHFFFAOYSA-N 1 0 362.430 2.114 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000553227006 674246459 /nfs/dbraw/zinc/24/64/59/674246459.db2.gz NSDJBGWNNHXSNM-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[NH+](C)C ZINC000803545905 674248861 /nfs/dbraw/zinc/24/88/61/674248861.db2.gz QYGNMWRRPXMGIT-VIFPVBQESA-N 1 0 356.220 2.192 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1ccccc1 ZINC000179923778 327664811 /nfs/dbraw/zinc/66/48/11/327664811.db2.gz MEWINBVXLPPZFL-OAHLLOKOSA-N 1 0 357.366 2.356 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000181718833 327743203 /nfs/dbraw/zinc/74/32/03/327743203.db2.gz AIWVWQSOLWQKNY-SJORKVTESA-N 1 0 363.458 2.285 20 5 FEBDRO C[NH+](C)CC[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000183666083 327829502 /nfs/dbraw/zinc/82/95/02/327829502.db2.gz WSVWVVPZMKBKJW-INIZCTEOSA-N 1 0 371.503 2.423 20 5 FEBDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000185790363 327932940 /nfs/dbraw/zinc/93/29/40/327932940.db2.gz GPJSQAYJDXHDPH-OAHLLOKOSA-N 1 0 373.413 2.316 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000185818858 327934357 /nfs/dbraw/zinc/93/43/57/327934357.db2.gz NYEWSOYGNMEAJS-CQSZACIVSA-N 1 0 353.444 2.234 20 5 FEBDRO COCCO[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000188823688 328112851 /nfs/dbraw/zinc/11/28/51/328112851.db2.gz QKBHXWTYDKBPFO-QGZVFWFLSA-N 1 0 360.414 2.233 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000189145575 328131099 /nfs/dbraw/zinc/13/10/99/328131099.db2.gz YWMRNZBJVUMNFA-HUUCEWRRSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189126346 328129743 /nfs/dbraw/zinc/12/97/43/328129743.db2.gz KLUHCQMWDDBFNO-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000189150801 328131548 /nfs/dbraw/zinc/13/15/48/328131548.db2.gz KDGZULDMNVQOPX-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000189164921 328132752 /nfs/dbraw/zinc/13/27/52/328132752.db2.gz PUQNQBFNODAONP-CYBMUJFWSA-N 1 0 364.423 2.212 20 5 FEBDRO COc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1C ZINC000191279586 328258103 /nfs/dbraw/zinc/25/81/03/328258103.db2.gz CKTFSSZMCKMWPA-HNNXBMFYSA-N 1 0 365.430 2.095 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)n1 ZINC000191769753 328280709 /nfs/dbraw/zinc/28/07/09/328280709.db2.gz JZBVXJKSAKJVRR-MRXNPFEDSA-N 1 0 373.457 2.494 20 5 FEBDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000191952265 328290224 /nfs/dbraw/zinc/29/02/24/328290224.db2.gz USBGMWTWQWLKOG-UHFFFAOYSA-N 1 0 372.425 2.390 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019714 328352447 /nfs/dbraw/zinc/35/24/47/328352447.db2.gz CHHNQOZLOFMRIV-BBRMVZONSA-N 1 0 357.414 2.315 20 5 FEBDRO COCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000193019682 328352546 /nfs/dbraw/zinc/35/25/46/328352546.db2.gz CHHNQOZLOFMRIV-XJKSGUPXSA-N 1 0 357.414 2.315 20 5 FEBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193033279 328353254 /nfs/dbraw/zinc/35/32/54/328353254.db2.gz PSTMWAWKIWHLRL-QMTHXVAHSA-N 1 0 361.851 2.434 20 5 FEBDRO Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000193010049 328352054 /nfs/dbraw/zinc/35/20/54/328352054.db2.gz SLSCDUZKBKWCHY-SJORKVTESA-N 1 0 369.425 2.491 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000193182696 328361369 /nfs/dbraw/zinc/36/13/69/328361369.db2.gz BLWPYLIYQZYDGH-GXTWGEPZSA-N 1 0 351.403 2.221 20 5 FEBDRO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194397208 328422570 /nfs/dbraw/zinc/42/25/70/328422570.db2.gz HSPZYWITNLSVGS-LBPRGKRZSA-N 1 0 360.374 2.323 20 5 FEBDRO COc1cc(C(=O)NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000053887318 324751630 /nfs/dbraw/zinc/75/16/30/324751630.db2.gz WEQSFBHPKNTJHI-UHFFFAOYSA-N 1 0 361.345 2.275 20 5 FEBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000236853089 328496361 /nfs/dbraw/zinc/49/63/61/328496361.db2.gz DJVAIQBRESHYAH-UHFFFAOYSA-N 1 0 369.365 2.409 20 5 FEBDRO COc1cc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000237255448 328510076 /nfs/dbraw/zinc/51/00/76/328510076.db2.gz XQJVXFRXGFVAGW-JTQLQIEISA-N 1 0 373.356 2.324 20 5 FEBDRO C[NH+](C)CCN(C1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000079068291 325074342 /nfs/dbraw/zinc/07/43/42/325074342.db2.gz AZPGEHYRHYHKQA-UHFFFAOYSA-N 1 0 355.460 2.480 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000237537537 328519106 /nfs/dbraw/zinc/51/91/06/328519106.db2.gz BDJXBZNKMYXDEH-ZDUSSCGKSA-N 1 0 355.398 2.208 20 5 FEBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081293371 325168453 /nfs/dbraw/zinc/16/84/53/325168453.db2.gz GPJQNZHXEKDAIR-CYBMUJFWSA-N 1 0 357.414 2.465 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000087332845 325279844 /nfs/dbraw/zinc/27/98/44/325279844.db2.gz AARNRLZHYXUPLD-OAHLLOKOSA-N 1 0 361.442 2.239 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1N1CCCC1 ZINC000090511171 325361779 /nfs/dbraw/zinc/36/17/79/325361779.db2.gz LSLHWMPXUAVSJL-UHFFFAOYSA-N 1 0 356.426 2.489 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000090554322 325363514 /nfs/dbraw/zinc/36/35/14/325363514.db2.gz RKLPGJPAVFDEFK-SFHVURJKSA-N 1 0 357.410 2.128 20 5 FEBDRO O=C(CC[N@@H+]1CCCN(CC(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000091082687 325373170 /nfs/dbraw/zinc/37/31/70/325373170.db2.gz RGCXOLIBYGCEMJ-UHFFFAOYSA-N 1 0 356.373 2.196 20 5 FEBDRO [NH3+]C[C@H]1CCCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237948256 328535362 /nfs/dbraw/zinc/53/53/62/328535362.db2.gz OIGRHPJUUWYUGK-GFCCVEGCSA-N 1 0 356.220 2.240 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C)CC2)cc1SC ZINC000103080159 325506036 /nfs/dbraw/zinc/50/60/36/325506036.db2.gz JOCQXCPEFRFDEH-UHFFFAOYSA-N 1 0 353.444 2.397 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000105326012 325565557 /nfs/dbraw/zinc/56/55/57/325565557.db2.gz CKODQCZIZZOLSC-JTQLQIEISA-N 1 0 373.356 2.371 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000107798612 325634794 /nfs/dbraw/zinc/63/47/94/325634794.db2.gz DSAGANLVXGUHBM-ZWKOTPCHSA-N 1 0 363.458 2.285 20 5 FEBDRO CCc1ccc([C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)[NH+](C)C)cc1 ZINC000109220019 325662210 /nfs/dbraw/zinc/66/22/10/325662210.db2.gz CEDFLQLFKHUIOG-QGZVFWFLSA-N 1 0 373.457 2.471 20 5 FEBDRO CC(C)CN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109339961 325665658 /nfs/dbraw/zinc/66/56/58/325665658.db2.gz VZLHLDNIHHUUTQ-UHFFFAOYSA-N 1 0 369.487 2.477 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111563415 325725135 /nfs/dbraw/zinc/72/51/35/325725135.db2.gz BNYOKAIUMCXFFW-LBPRGKRZSA-N 1 0 358.398 2.041 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000116645956 326028701 /nfs/dbraw/zinc/02/87/01/326028701.db2.gz XQOUKZTYNUPJMU-CQSZACIVSA-N 1 0 363.414 2.317 20 5 FEBDRO Cc1nn(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000116651909 326028725 /nfs/dbraw/zinc/02/87/25/326028725.db2.gz QXNLKNQHPZSBIC-UHFFFAOYSA-N 1 0 351.451 2.179 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000118829098 326105628 /nfs/dbraw/zinc/10/56/28/326105628.db2.gz OTSNLPIIIFCERF-OAHLLOKOSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000119705725 326189605 /nfs/dbraw/zinc/18/96/05/326189605.db2.gz WMVHBXRHSWCHTP-ZDUSSCGKSA-N 1 0 363.439 2.444 20 5 FEBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119929054 326212940 /nfs/dbraw/zinc/21/29/40/326212940.db2.gz KCWWQAMFOSUSJU-OLMNPRSZSA-N 1 0 359.426 2.229 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC(n3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000120597747 326271768 /nfs/dbraw/zinc/27/17/68/326271768.db2.gz SNJDZQHFVFWLAN-UHFFFAOYSA-N 1 0 358.402 2.160 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000120642554 326275534 /nfs/dbraw/zinc/27/55/34/326275534.db2.gz CVHNZUROXVVFND-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122364442 326393894 /nfs/dbraw/zinc/39/38/94/326393894.db2.gz JIXLWIPEQMXRKN-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122473904 326398313 /nfs/dbraw/zinc/39/83/13/326398313.db2.gz PRHJGLOBTPZFEA-YPMHNXCESA-N 1 0 373.862 2.353 20 5 FEBDRO CCOC(=O)c1ccnc(N(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000135496676 326642545 /nfs/dbraw/zinc/64/25/45/326642545.db2.gz IUFSYXARWYZOKU-UHFFFAOYSA-N 1 0 373.413 2.130 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000136128476 326650220 /nfs/dbraw/zinc/65/02/20/326650220.db2.gz DTSPQLZYXQNFEP-UHFFFAOYSA-N 1 0 363.458 2.469 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000136226432 326650901 /nfs/dbraw/zinc/65/09/01/326650901.db2.gz BOUUAEMROFJNMA-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000156198230 326821603 /nfs/dbraw/zinc/82/16/03/326821603.db2.gz DCVOWOVWSTZAOH-SFYZADRCSA-N 1 0 368.242 2.273 20 5 FEBDRO Cn1cc(C[NH2+]CCn2cnnc2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000156223808 326822647 /nfs/dbraw/zinc/82/26/47/326822647.db2.gz IDQAETDJEHVJPA-UHFFFAOYSA-N 1 0 367.413 2.254 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000159721205 326939952 /nfs/dbraw/zinc/93/99/52/326939952.db2.gz KWDBGLYNLUGCHF-LJQANCHMSA-N 1 0 357.410 2.202 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160420392 326965198 /nfs/dbraw/zinc/96/51/98/326965198.db2.gz BWTQKSBXVGJVJY-ZWKOTPCHSA-N 1 0 361.442 2.021 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162242521 327020779 /nfs/dbraw/zinc/02/07/79/327020779.db2.gz JOSJZHRQLVJQLL-IRXDYDNUSA-N 1 0 374.485 2.154 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000163104115 327042744 /nfs/dbraw/zinc/04/27/44/327042744.db2.gz BSQIFNBYOCUADS-INIZCTEOSA-N 1 0 361.446 2.147 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000165996516 327080288 /nfs/dbraw/zinc/08/02/88/327080288.db2.gz PBPNEUYBMKKMQE-UHFFFAOYSA-N 1 0 371.441 2.109 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000166318894 327081465 /nfs/dbraw/zinc/08/14/65/327081465.db2.gz RCGHBDMFYGOHDZ-UHFFFAOYSA-N 1 0 369.487 2.478 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000171884502 327167553 /nfs/dbraw/zinc/16/75/53/327167553.db2.gz XUKRZKMAQRHCIH-ALOPSCKCSA-N 1 0 369.425 2.103 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000172765173 327217852 /nfs/dbraw/zinc/21/78/52/327217852.db2.gz NDFKZJGFDVVUBT-OCCSQVGLSA-N 1 0 350.419 2.333 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295175 327248114 /nfs/dbraw/zinc/24/81/14/327248114.db2.gz UZTLRQJBCXIIKC-QZEKMECESA-N 1 0 372.469 2.237 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000173627047 327271981 /nfs/dbraw/zinc/27/19/81/327271981.db2.gz LJRPNKVPGZCXRW-LBPRGKRZSA-N 1 0 359.473 2.153 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000173665895 327274893 /nfs/dbraw/zinc/27/48/93/327274893.db2.gz SERFDKRTWFKFKR-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000173791295 327284464 /nfs/dbraw/zinc/28/44/64/327284464.db2.gz JWACMHMLHUDELQ-XHSDSOJGSA-N 1 0 354.451 2.068 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000174101352 327306373 /nfs/dbraw/zinc/30/63/73/327306373.db2.gz NVGDBWHLNVTHGS-UHFFFAOYSA-N 1 0 372.425 2.288 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000174116044 327306946 /nfs/dbraw/zinc/30/69/46/327306946.db2.gz QCFHUEGXDNUISM-UHFFFAOYSA-N 1 0 365.430 2.220 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000174117432 327307249 /nfs/dbraw/zinc/30/72/49/327307249.db2.gz IFOOFSWETZPWAZ-HNNXBMFYSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000174862998 327355948 /nfs/dbraw/zinc/35/59/48/327355948.db2.gz IUGOYKNGDCVNLZ-MRXNPFEDSA-N 1 0 355.439 2.320 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000175089716 327373308 /nfs/dbraw/zinc/37/33/08/327373308.db2.gz XCVRLCCGESFSJZ-MNOVXSKESA-N 1 0 361.851 2.399 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000175213274 327380330 /nfs/dbraw/zinc/38/03/30/327380330.db2.gz GVWRBQUKTCFSIK-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175452438 327393642 /nfs/dbraw/zinc/39/36/42/327393642.db2.gz XIJSSXQPFNPHQX-UHFFFAOYSA-N 1 0 364.446 2.240 20 5 FEBDRO COc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000177093965 327497092 /nfs/dbraw/zinc/49/70/92/327497092.db2.gz ZLMSZUJNDRCPDL-UHFFFAOYSA-N 1 0 365.430 2.176 20 5 FEBDRO COc1cc(CCNC(=O)[C@@H](C[NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000178348519 327579788 /nfs/dbraw/zinc/57/97/88/327579788.db2.gz WKNAMRNJUCRBFN-HNNXBMFYSA-N 1 0 373.409 2.013 20 5 FEBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262096118 328842050 /nfs/dbraw/zinc/84/20/50/328842050.db2.gz YYJXNWLGEBIYJM-UWVGGRQHSA-N 1 0 361.320 2.345 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1C ZINC000262238522 328853626 /nfs/dbraw/zinc/85/36/26/328853626.db2.gz OWLQCCIHHLCNCW-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000262377295 328862271 /nfs/dbraw/zinc/86/22/71/328862271.db2.gz KYBIRVMCBWPDFE-UHFFFAOYSA-N 1 0 364.793 2.096 20 5 FEBDRO C[NH2+]C1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000262570649 328873655 /nfs/dbraw/zinc/87/36/55/328873655.db2.gz CNPHEHMKICPGCI-UHFFFAOYSA-N 1 0 361.320 2.360 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000264421234 329021185 /nfs/dbraw/zinc/02/11/85/329021185.db2.gz RBBSDBLTEBOMNY-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000265236556 329105653 /nfs/dbraw/zinc/10/56/53/329105653.db2.gz RYTISIWNUYPAJP-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265914485 329172413 /nfs/dbraw/zinc/17/24/13/329172413.db2.gz AETAZPLUGXUFQW-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265951239 329175852 /nfs/dbraw/zinc/17/58/52/329175852.db2.gz MQBOSZCTGGGRHW-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266132767 329193442 /nfs/dbraw/zinc/19/34/42/329193442.db2.gz BGSZJKZAYRMILU-CYBMUJFWSA-N 1 0 371.434 2.230 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](CN2CCOCC2)C1 ZINC000266203906 329200136 /nfs/dbraw/zinc/20/01/36/329200136.db2.gz HZONVNOTZNGMSC-CYBMUJFWSA-N 1 0 359.382 2.135 20 5 FEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266649996 329245934 /nfs/dbraw/zinc/24/59/34/329245934.db2.gz NKBKOIXCRBQJLV-UHFFFAOYSA-N 1 0 353.444 2.373 20 5 FEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266701902 329250913 /nfs/dbraw/zinc/25/09/13/329250913.db2.gz GPKMTTCMRJBJOK-HNNXBMFYSA-N 1 0 362.430 2.242 20 5 FEBDRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000267183587 329300214 /nfs/dbraw/zinc/30/02/14/329300214.db2.gz NGSQBHMYAGXUAP-WBMJQRKESA-N 1 0 352.460 2.392 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000267342302 329316970 /nfs/dbraw/zinc/31/69/70/329316970.db2.gz ZZILGXOSVVFBOI-QWHCGFSZSA-N 1 0 351.403 2.215 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1SC ZINC000269221465 329497844 /nfs/dbraw/zinc/49/78/44/329497844.db2.gz SOVLHKAVJAIBKH-WDEREUQCSA-N 1 0 353.444 2.443 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270078949 329572968 /nfs/dbraw/zinc/57/29/68/329572968.db2.gz DGKUNNSUPWAQRM-HNNXBMFYSA-N 1 0 374.441 2.032 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271759108 329722504 /nfs/dbraw/zinc/72/25/04/329722504.db2.gz VETODQPREHKQOL-LSDHHAIUSA-N 1 0 362.430 2.020 20 5 FEBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272142785 329755364 /nfs/dbraw/zinc/75/53/64/329755364.db2.gz DSRXFTQWXSRTSE-JTQLQIEISA-N 1 0 363.443 2.402 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000275923566 330103935 /nfs/dbraw/zinc/10/39/35/330103935.db2.gz ZTYYKUXXUXEOPP-JOCQHMNTSA-N 1 0 351.403 2.167 20 5 FEBDRO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000367036408 330209631 /nfs/dbraw/zinc/20/96/31/330209631.db2.gz GURYUPBGNSHHCO-ZFWWWQNUSA-N 1 0 371.397 2.135 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000367052262 330211633 /nfs/dbraw/zinc/21/16/33/330211633.db2.gz JKFHLWPDPWSNIP-QAPCUYQASA-N 1 0 374.485 2.255 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)ccc1Cl ZINC000375770104 330248864 /nfs/dbraw/zinc/24/88/64/330248864.db2.gz SHXCXRDKGWONTH-GFCCVEGCSA-N 1 0 373.862 2.294 20 5 FEBDRO C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155558209 545542399 /nfs/dbraw/zinc/54/23/99/545542399.db2.gz WQNOSBBYCKWWMC-PHIMTYICSA-N 1 0 370.247 2.451 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156327844 545618206 /nfs/dbraw/zinc/61/82/06/545618206.db2.gz KSIOYLJYPSOVNL-AWEZNQCLSA-N 1 0 367.471 2.373 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000157143365 545705984 /nfs/dbraw/zinc/70/59/84/545705984.db2.gz FVQRLELZEMMXQZ-INIZCTEOSA-N 1 0 359.430 2.170 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@H+]1CC=CCC1 ZINC000477630472 561149788 /nfs/dbraw/zinc/14/97/88/561149788.db2.gz CIODUSZQEBNZAH-LBPRGKRZSA-N 1 0 353.806 2.394 20 5 FEBDRO COC(=O)c1cnc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000478294682 561163845 /nfs/dbraw/zinc/16/38/45/561163845.db2.gz WAPIHDBSMZVHCJ-HNNXBMFYSA-N 1 0 358.398 2.361 20 5 FEBDRO Cc1cc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000159261027 545936249 /nfs/dbraw/zinc/93/62/49/545936249.db2.gz CBCRHIGLOOLTRZ-GOSISDBHSA-N 1 0 369.421 2.052 20 5 FEBDRO Cc1c(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000478412919 561166332 /nfs/dbraw/zinc/16/63/32/561166332.db2.gz AATQNBUTCWNYQJ-MRXNPFEDSA-N 1 0 364.446 2.059 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000478435702 561166783 /nfs/dbraw/zinc/16/67/83/561166783.db2.gz DHHWMONEELLRNV-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000478466585 561167684 /nfs/dbraw/zinc/16/76/84/561167684.db2.gz DOSPJJNRQBGJNL-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000161308568 546119056 /nfs/dbraw/zinc/11/90/56/546119056.db2.gz VLHZJRTWYZQBLX-ZBFHGGJFSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N(C)CC[NH+](C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000480082519 561202699 /nfs/dbraw/zinc/20/26/99/561202699.db2.gz FBTVNONKTAFWTN-UHFFFAOYSA-N 1 0 359.430 2.090 20 5 FEBDRO Cc1ccc(C(=O)NC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000176221504 546421239 /nfs/dbraw/zinc/42/12/39/546421239.db2.gz TVZBTZUKEMCRCA-UHFFFAOYSA-N 1 0 363.443 2.056 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176265934 546425890 /nfs/dbraw/zinc/42/58/90/546425890.db2.gz KRAPYQUKVNYWTN-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176736776 546481658 /nfs/dbraw/zinc/48/16/58/546481658.db2.gz NJORPOSYNYVOLY-CJNGLKHVSA-N 1 0 369.425 2.212 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816258 546492473 /nfs/dbraw/zinc/49/24/73/546492473.db2.gz DUFCNZMJHLCCBR-OCCSQVGLSA-N 1 0 357.414 2.273 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031970 546527700 /nfs/dbraw/zinc/52/77/00/546527700.db2.gz OYHZJRNWPGENOF-FZMZJTMJSA-N 1 0 361.398 2.127 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000480854664 561218329 /nfs/dbraw/zinc/21/83/29/561218329.db2.gz ONSLHWDRQPCNMS-UONOGXRCSA-N 1 0 353.444 2.008 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000177447549 546620241 /nfs/dbraw/zinc/62/02/41/546620241.db2.gz KYULAVRWZZRKMH-LSDHHAIUSA-N 1 0 357.414 2.383 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000177999848 546720196 /nfs/dbraw/zinc/72/01/96/546720196.db2.gz DQCGFHSEGRFVLP-QGZVFWFLSA-N 1 0 361.423 2.150 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000178382069 546784310 /nfs/dbraw/zinc/78/43/10/546784310.db2.gz PWWAVRUBSSOGIY-CZUORRHYSA-N 1 0 353.444 2.008 20 5 FEBDRO O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000178749116 546842566 /nfs/dbraw/zinc/84/25/66/546842566.db2.gz ISRQESAKUNCBPE-LLVKDONJSA-N 1 0 360.336 2.284 20 5 FEBDRO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745293 561240680 /nfs/dbraw/zinc/24/06/80/561240680.db2.gz CHFYAHMSRNZIFD-GDBMZVCRSA-N 1 0 352.387 2.016 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000179862771 547022780 /nfs/dbraw/zinc/02/27/80/547022780.db2.gz LDXHJCCHBOIFLR-VXGBXAGGSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000180163223 547060781 /nfs/dbraw/zinc/06/07/81/547060781.db2.gz WRMVCACAYVZOOC-MAUKXSAKSA-N 1 0 357.414 2.051 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180410288 547103883 /nfs/dbraw/zinc/10/38/83/547103883.db2.gz RNPAHYMQHKFQDY-KGLIPLIRSA-N 1 0 374.441 2.303 20 5 FEBDRO COC(=O)C1(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000180410532 547103913 /nfs/dbraw/zinc/10/39/13/547103913.db2.gz CHSLBOYSTIJOSW-CYBMUJFWSA-N 1 0 363.414 2.238 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181290289 547288225 /nfs/dbraw/zinc/28/82/25/547288225.db2.gz MKPAMSZZBLIWES-OAHLLOKOSA-N 1 0 367.413 2.456 20 5 FEBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)c(F)c1 ZINC000181413904 547310994 /nfs/dbraw/zinc/31/09/94/547310994.db2.gz GNJAVDUPNKDQKF-HNNXBMFYSA-N 1 0 353.325 2.012 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000181958904 547413094 /nfs/dbraw/zinc/41/30/94/547413094.db2.gz KMELUXVLZOCLBA-FUHWJXTLSA-N 1 0 372.421 2.316 20 5 FEBDRO C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C2(CCCCC2)C1 ZINC000182252015 547461545 /nfs/dbraw/zinc/46/15/45/547461545.db2.gz LPKFRXPJQQZPFD-UHFFFAOYSA-N 1 0 361.398 2.414 20 5 FEBDRO CCCCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000183027086 547589296 /nfs/dbraw/zinc/58/92/96/547589296.db2.gz NULAWHIZSPQDEM-UHFFFAOYSA-N 1 0 350.419 2.209 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000183295201 547633951 /nfs/dbraw/zinc/63/39/51/547633951.db2.gz XOGMVJVBGRMFDM-HNNXBMFYSA-N 1 0 369.487 2.321 20 5 FEBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183600883 547687482 /nfs/dbraw/zinc/68/74/82/547687482.db2.gz PARJRDNNPMSTJN-UHFFFAOYSA-N 1 0 359.386 2.155 20 5 FEBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183615714 547689719 /nfs/dbraw/zinc/68/97/19/547689719.db2.gz ZMALTTMRPJYYNA-UHFFFAOYSA-N 1 0 357.414 2.212 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638221 561301921 /nfs/dbraw/zinc/30/19/21/561301921.db2.gz XAZZDBDBYKJAFM-JGGQBBKZSA-N 1 0 351.403 2.014 20 5 FEBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184937483 547903137 /nfs/dbraw/zinc/90/31/37/547903137.db2.gz LJLPMJDOVPXTCU-OAHLLOKOSA-N 1 0 369.425 2.166 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184942984 547904089 /nfs/dbraw/zinc/90/40/89/547904089.db2.gz SVQYOKLPADLGGR-CQSZACIVSA-N 1 0 369.425 2.309 20 5 FEBDRO Cc1nn(C)c(C(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185752627 548029840 /nfs/dbraw/zinc/02/98/40/548029840.db2.gz PQEMUZLVWVDTLH-UHFFFAOYSA-N 1 0 351.451 2.411 20 5 FEBDRO NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCNc1ccccc1[N+](=O)[O-] ZINC000185875315 548049642 /nfs/dbraw/zinc/04/96/42/548049642.db2.gz AXNMYRVICCMXRR-OAHLLOKOSA-N 1 0 362.817 2.346 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186532959 548148633 /nfs/dbraw/zinc/14/86/33/548148633.db2.gz VUELGDJEWUIEHJ-CYBMUJFWSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186577963 548154402 /nfs/dbraw/zinc/15/44/02/548154402.db2.gz QHGVSCRDPJEVOD-INIZCTEOSA-N 1 0 369.425 2.478 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186769918 548189278 /nfs/dbraw/zinc/18/92/78/548189278.db2.gz MUTNFPZMHKLEDJ-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186941317 548225564 /nfs/dbraw/zinc/22/55/64/548225564.db2.gz XKRYEBJHXWHRMX-ZDUSSCGKSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cnccc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000187117667 548251114 /nfs/dbraw/zinc/25/11/14/548251114.db2.gz OQDSWMJLFOFQLK-GFCCVEGCSA-N 1 0 365.411 2.123 20 5 FEBDRO Cc1cc(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000193551575 548389595 /nfs/dbraw/zinc/38/95/95/548389595.db2.gz LWPQEDBYKKUVHV-HNNXBMFYSA-N 1 0 350.419 2.382 20 5 FEBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000194473709 548488081 /nfs/dbraw/zinc/48/80/81/548488081.db2.gz FKKFUYJEAIOHKN-CYBMUJFWSA-N 1 0 364.402 2.094 20 5 FEBDRO Nc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194754230 548527440 /nfs/dbraw/zinc/52/74/40/548527440.db2.gz UDRKGIOLQFOUCQ-OAHLLOKOSA-N 1 0 354.410 2.429 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000227206666 548750137 /nfs/dbraw/zinc/75/01/37/548750137.db2.gz VCKSCLDFEYQHHL-CHWSQXEVSA-N 1 0 363.414 2.232 20 5 FEBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000237036192 548795842 /nfs/dbraw/zinc/79/58/42/548795842.db2.gz ATHWEWCCPPYFHP-UHFFFAOYSA-N 1 0 350.375 2.273 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237179975 548806931 /nfs/dbraw/zinc/80/69/31/548806931.db2.gz LGMSLVNUYXKDEY-NSHDSACASA-N 1 0 370.247 2.358 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000237269060 548814088 /nfs/dbraw/zinc/81/40/88/548814088.db2.gz OSRFLGKOEOSXSH-PSASIEDQSA-N 1 0 359.329 2.062 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237416821 548825354 /nfs/dbraw/zinc/82/53/54/548825354.db2.gz ORYAQVVTBFZOQQ-SJKOYZFVSA-N 1 0 371.441 2.408 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000237660929 548842722 /nfs/dbraw/zinc/84/27/22/548842722.db2.gz FBWLIZNPAJRMSX-CHWSQXEVSA-N 1 0 371.441 2.279 20 5 FEBDRO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000238057460 548875800 /nfs/dbraw/zinc/87/58/00/548875800.db2.gz ORJZFAZBZNJRCJ-MRVPVSSYSA-N 1 0 354.215 2.013 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000245483373 548932718 /nfs/dbraw/zinc/93/27/18/548932718.db2.gz FICHLZXBZNSJNX-CHWSQXEVSA-N 1 0 351.403 2.289 20 5 FEBDRO COCCO[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245810632 548997841 /nfs/dbraw/zinc/99/78/41/548997841.db2.gz CHUQYYOSDXLKJP-XJKSGUPXSA-N 1 0 351.403 2.049 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246115727 549055892 /nfs/dbraw/zinc/05/58/92/549055892.db2.gz IQGROOFXCAQVST-GXTWGEPZSA-N 1 0 355.460 2.254 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246196324 549074784 /nfs/dbraw/zinc/07/47/84/549074784.db2.gz DORRYTFECQBDFW-UKRRQHHQSA-N 1 0 362.430 2.030 20 5 FEBDRO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488996498 561401272 /nfs/dbraw/zinc/40/12/72/561401272.db2.gz YOFJUYQWEPJZDN-CQSZACIVSA-N 1 0 357.414 2.480 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000247156364 549292613 /nfs/dbraw/zinc/29/26/13/549292613.db2.gz AHQDDULAWOOVJR-WBMJQRKESA-N 1 0 363.443 2.052 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247217244 549300545 /nfs/dbraw/zinc/30/05/45/549300545.db2.gz XJMNXUDVPWQHNL-DZGCQCFKSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000247307281 549315437 /nfs/dbraw/zinc/31/54/37/549315437.db2.gz QFWBOVPZEVXOOU-SWLSCSKDSA-N 1 0 351.378 2.055 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000247318675 549316741 /nfs/dbraw/zinc/31/67/41/549316741.db2.gz INVRBEHLYQWUNK-ZIAGYGMSSA-N 1 0 355.460 2.135 20 5 FEBDRO C[NH+](C)CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000247948147 549394529 /nfs/dbraw/zinc/39/45/29/549394529.db2.gz BJYZNXZIWUCQRW-UHFFFAOYSA-N 1 0 362.352 2.484 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247981755 549397524 /nfs/dbraw/zinc/39/75/24/549397524.db2.gz HEVLZXVFGJAXCV-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000489320300 561408080 /nfs/dbraw/zinc/40/80/80/561408080.db2.gz CVVKTJNZCBQFRG-AWEZNQCLSA-N 1 0 351.403 2.024 20 5 FEBDRO CO[C@]1(C)C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248461727 549445667 /nfs/dbraw/zinc/44/56/67/549445667.db2.gz PJQJEJLIHGQGQX-MZMPZRCHSA-N 1 0 352.431 2.470 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000248469894 549446626 /nfs/dbraw/zinc/44/66/26/549446626.db2.gz UVKFIUOIUUWEEY-DLBZAZTESA-N 1 0 363.458 2.142 20 5 FEBDRO CC[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000248625378 549470330 /nfs/dbraw/zinc/47/03/30/549470330.db2.gz NXZMEARWNJLAIK-ZQIUZPCESA-N 1 0 364.446 2.142 20 5 FEBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000248825518 549508082 /nfs/dbraw/zinc/50/80/82/549508082.db2.gz XBIFHGIYYFPQBV-VXGBXAGGSA-N 1 0 350.341 2.063 20 5 FEBDRO COCC1(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261642586 549737983 /nfs/dbraw/zinc/73/79/83/549737983.db2.gz CHMFGGBAWAEZNK-UHFFFAOYSA-N 1 0 353.444 2.063 20 5 FEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000261640381 549737989 /nfs/dbraw/zinc/73/79/89/549737989.db2.gz BZNDBHCUSZFFPY-UHFFFAOYSA-N 1 0 356.426 2.427 20 5 FEBDRO CCCc1[nH]nc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1[N+](=O)[O-] ZINC000262147285 549792630 /nfs/dbraw/zinc/79/26/30/549792630.db2.gz YNTBOGCGZVYLJC-UHFFFAOYSA-N 1 0 364.431 2.446 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCCC1 ZINC000262279088 549805536 /nfs/dbraw/zinc/80/55/36/549805536.db2.gz WTYZVTVQGUYDAE-OAHLLOKOSA-N 1 0 357.414 2.418 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000264168840 549987443 /nfs/dbraw/zinc/98/74/43/549987443.db2.gz KGVQCYWSYPWBSF-UHFFFAOYSA-N 1 0 353.419 2.034 20 5 FEBDRO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000268462428 550069977 /nfs/dbraw/zinc/06/99/77/550069977.db2.gz FKKBPFUVNQELMC-CMPLNLGQSA-N 1 0 373.251 2.034 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268535770 550083395 /nfs/dbraw/zinc/08/33/95/550083395.db2.gz JSMUYENHMAJPRP-KRWDZBQOSA-N 1 0 371.441 2.223 20 5 FEBDRO Cc1c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000269185674 550164540 /nfs/dbraw/zinc/16/45/40/550164540.db2.gz LBTUFDMFIAWQNR-DLBZAZTESA-N 1 0 362.430 2.403 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000269352242 550184767 /nfs/dbraw/zinc/18/47/67/550184767.db2.gz GTVXMIFYLQPGNA-UHFFFAOYSA-N 1 0 360.458 2.225 20 5 FEBDRO CCc1n[nH]c(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000269605766 550210193 /nfs/dbraw/zinc/21/01/93/550210193.db2.gz CCLDVSFUGBNZGQ-GFCCVEGCSA-N 1 0 372.429 2.231 20 5 FEBDRO CCc1cc(N2CCC([NH2+]CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270567167 550284446 /nfs/dbraw/zinc/28/44/46/550284446.db2.gz NMSREEGIODDQBB-UHFFFAOYSA-N 1 0 371.441 2.165 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000270619527 550289817 /nfs/dbraw/zinc/28/98/17/550289817.db2.gz DBWNPUJNGVRXOO-ZIAGYGMSSA-N 1 0 372.878 2.164 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270820910 550310544 /nfs/dbraw/zinc/31/05/44/550310544.db2.gz REGKMGIMSDQNCH-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000270864982 550315219 /nfs/dbraw/zinc/31/52/19/550315219.db2.gz INJXSPWPSZCONK-MRXNPFEDSA-N 1 0 370.409 2.489 20 5 FEBDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCSC1 ZINC000270973608 550327487 /nfs/dbraw/zinc/32/74/87/550327487.db2.gz KDMRQDQKERJDLI-QGZVFWFLSA-N 1 0 360.439 2.310 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000271433944 550375344 /nfs/dbraw/zinc/37/53/44/550375344.db2.gz SCITVNPMFGOUJG-ZBFHGGJFSA-N 1 0 371.441 2.453 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000271986888 550414992 /nfs/dbraw/zinc/41/49/92/550414992.db2.gz PGINJKBYUMGRSW-UHFFFAOYSA-N 1 0 354.204 2.349 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000272177241 550427344 /nfs/dbraw/zinc/42/73/44/550427344.db2.gz JNODGUPJOCATIK-KBXCAEBGSA-N 1 0 358.442 2.361 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272311902 550436600 /nfs/dbraw/zinc/43/66/00/550436600.db2.gz IJFFGKOLARZCCV-GXFFZTMASA-N 1 0 363.443 2.402 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000272714517 550466473 /nfs/dbraw/zinc/46/64/73/550466473.db2.gz LGLSOOMVSSLLFI-UHFFFAOYSA-N 1 0 373.413 2.294 20 5 FEBDRO Cc1cc(NC[C@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862491 550474148 /nfs/dbraw/zinc/47/41/48/550474148.db2.gz QSVXESISPOGDBD-GFCCVEGCSA-N 1 0 364.427 2.145 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 ZINC000273034359 550481621 /nfs/dbraw/zinc/48/16/21/550481621.db2.gz COUUBBKXGHGRIG-CQSZACIVSA-N 1 0 366.414 2.457 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000273077529 550483998 /nfs/dbraw/zinc/48/39/98/550483998.db2.gz WUQKIVGFTWLSBY-QGZVFWFLSA-N 1 0 363.458 2.285 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]12 ZINC000273370768 550495742 /nfs/dbraw/zinc/49/57/42/550495742.db2.gz CPOMMEJPQQNDEP-XXILOJSOSA-N 1 0 354.204 2.167 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089800 550522463 /nfs/dbraw/zinc/52/24/63/550522463.db2.gz TYLLEFYHHNQXAG-ZJUUUORDSA-N 1 0 357.794 2.364 20 5 FEBDRO Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000494637509 561473007 /nfs/dbraw/zinc/47/30/07/561473007.db2.gz OVLIGOXUULXBQG-UKRRQHHQSA-N 1 0 352.412 2.028 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1OC ZINC000276906377 550609587 /nfs/dbraw/zinc/60/95/87/550609587.db2.gz FADFNKYPSJAEGK-DZGCQCFKSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000276932184 550612603 /nfs/dbraw/zinc/61/26/03/550612603.db2.gz AHQBMMZELZMZHB-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000277004878 550620866 /nfs/dbraw/zinc/62/08/66/550620866.db2.gz ABWSWVWNPFLALI-CYBMUJFWSA-N 1 0 354.426 2.428 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000277044304 550625414 /nfs/dbraw/zinc/62/54/14/550625414.db2.gz HOSZDURRGSGGLT-ZBFHGGJFSA-N 1 0 365.455 2.255 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277278830 550651275 /nfs/dbraw/zinc/65/12/75/550651275.db2.gz SEYLZGFKUHIYCN-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000277311077 550654832 /nfs/dbraw/zinc/65/48/32/550654832.db2.gz PZTRTRHFNLJETH-SUMWQHHRSA-N 1 0 360.414 2.031 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277482057 550676110 /nfs/dbraw/zinc/67/61/10/550676110.db2.gz IUNHTOILYIGZME-ZDUSSCGKSA-N 1 0 363.414 2.359 20 5 FEBDRO COc1cc(OCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000277545358 550682731 /nfs/dbraw/zinc/68/27/31/550682731.db2.gz NRGYKSFZUFGQOR-AWEZNQCLSA-N 1 0 363.414 2.115 20 5 FEBDRO CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000278314465 550771867 /nfs/dbraw/zinc/77/18/67/550771867.db2.gz HKBNUDNABJBVTG-QWRGUYRKSA-N 1 0 350.366 2.490 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000278601957 550803236 /nfs/dbraw/zinc/80/32/36/550803236.db2.gz FRIGIIOAMKTWQE-MLGOLLRUSA-N 1 0 374.445 2.343 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000278640914 550807136 /nfs/dbraw/zinc/80/71/36/550807136.db2.gz JBDMGXLYDYOICR-LRDDRELGSA-N 1 0 372.429 2.097 20 5 FEBDRO COC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279113272 550855350 /nfs/dbraw/zinc/85/53/50/550855350.db2.gz SWZITRSTBDWLOR-GOEBONIOSA-N 1 0 351.403 2.015 20 5 FEBDRO CCOc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000495274086 561485968 /nfs/dbraw/zinc/48/59/68/561485968.db2.gz MWOJJJYJWZIJBG-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc(C(F)(F)F)c1 ZINC000279428836 550889382 /nfs/dbraw/zinc/88/93/82/550889382.db2.gz GMZBWPQVPRRXAF-LLVKDONJSA-N 1 0 352.334 2.280 20 5 FEBDRO C[C@H]1C[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H](C)O1 ZINC000281039550 551057119 /nfs/dbraw/zinc/05/71/19/551057119.db2.gz VIORKTSJIAPDEP-RYUDHWBXSA-N 1 0 361.402 2.155 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000281643823 551124942 /nfs/dbraw/zinc/12/49/42/551124942.db2.gz AWEJJALMHSINMR-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000281910473 551156673 /nfs/dbraw/zinc/15/66/73/551156673.db2.gz CEEJDCNMCJMVQK-NVXWUHKLSA-N 1 0 350.415 2.273 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410462 561500344 /nfs/dbraw/zinc/50/03/44/561500344.db2.gz HGRZOOAQUXZFJR-KBPBESRZSA-N 1 0 357.414 2.269 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282868081 551279679 /nfs/dbraw/zinc/27/96/79/551279679.db2.gz VZJNNAMXFQJZDT-MRXNPFEDSA-N 1 0 371.441 2.359 20 5 FEBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CCC(=O)NC23CCC3)cccc1[N+](=O)[O-] ZINC000282878284 551281116 /nfs/dbraw/zinc/28/11/16/551281116.db2.gz VEWZBZVLSQQREU-HNNXBMFYSA-N 1 0 360.414 2.023 20 5 FEBDRO CCOc1cc(N2CC[NH+](CCc3ccnn3C)CC2)ccc1[N+](=O)[O-] ZINC000283195591 551327062 /nfs/dbraw/zinc/32/70/62/551327062.db2.gz QTTRPWCTYAWSJJ-UHFFFAOYSA-N 1 0 359.430 2.092 20 5 FEBDRO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283410925 551361870 /nfs/dbraw/zinc/36/18/70/551361870.db2.gz FJVZEWJOODMZLI-JSGCOSHPSA-N 1 0 353.394 2.097 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284324971 551524210 /nfs/dbraw/zinc/52/42/10/551524210.db2.gz PYKNKUTYEULVOS-FUHIMQAGSA-N 1 0 371.437 2.370 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313868 561521878 /nfs/dbraw/zinc/52/18/78/561521878.db2.gz ZXWYXNXHWYXKOG-LSDHHAIUSA-N 1 0 361.446 2.267 20 5 FEBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000284813110 551640436 /nfs/dbraw/zinc/64/04/36/551640436.db2.gz NTIHLFVDOSANCX-OAHLLOKOSA-N 1 0 359.386 2.423 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000498556495 561528163 /nfs/dbraw/zinc/52/81/63/561528163.db2.gz QHYBHGJLYTYFBM-KGLIPLIRSA-N 1 0 372.425 2.463 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000498583125 561529569 /nfs/dbraw/zinc/52/95/69/561529569.db2.gz IYGKSFLCRFOOCL-STQMWFEESA-N 1 0 363.414 2.326 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000498582584 561529587 /nfs/dbraw/zinc/52/95/87/561529587.db2.gz DHONXYPGMOSHMI-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1F ZINC000284916057 551666351 /nfs/dbraw/zinc/66/63/51/551666351.db2.gz MXSOCBCTGARHHH-CYBMUJFWSA-N 1 0 365.405 2.368 20 5 FEBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccccc1O2 ZINC000284948740 551674783 /nfs/dbraw/zinc/67/47/83/551674783.db2.gz ADRZWYDGYBXELM-AWEZNQCLSA-N 1 0 371.397 2.036 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285366303 551744658 /nfs/dbraw/zinc/74/46/58/551744658.db2.gz QRDZVCWXQGNJTN-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285536629 551771421 /nfs/dbraw/zinc/77/14/21/551771421.db2.gz SUIXJCDWEUPLJM-UHFFFAOYSA-N 1 0 367.427 2.330 20 5 FEBDRO COc1ccc(NC(=O)CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000285759679 551806483 /nfs/dbraw/zinc/80/64/83/551806483.db2.gz ZJFPMLLLHKZVLM-ZIAGYGMSSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285827827 551816148 /nfs/dbraw/zinc/81/61/48/551816148.db2.gz HDGIVAFIMKAOFO-GOOCMWNKSA-N 1 0 355.398 2.243 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000286225407 551863280 /nfs/dbraw/zinc/86/32/80/551863280.db2.gz CIOSVVFETSQQEK-UHFFFAOYSA-N 1 0 351.447 2.467 20 5 FEBDRO C[C@@](CO)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000286314468 551872798 /nfs/dbraw/zinc/87/27/98/551872798.db2.gz CZTDKHYNGVJHNR-AWEZNQCLSA-N 1 0 369.219 2.051 20 5 FEBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286398690 551883317 /nfs/dbraw/zinc/88/33/17/551883317.db2.gz HGUNLIYIFSLEPQ-OCBAZWNDSA-N 1 0 363.389 2.418 20 5 FEBDRO CN(CCc1ccccc1[N+](=O)[O-])c1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000286705974 551917019 /nfs/dbraw/zinc/91/70/19/551917019.db2.gz YUEFFPGMPCQWSG-OAHLLOKOSA-N 1 0 371.441 2.272 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286878491 551935977 /nfs/dbraw/zinc/93/59/77/551935977.db2.gz ZEAMPPSDYLREAW-CJNGLKHVSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000287394427 551998398 /nfs/dbraw/zinc/99/83/98/551998398.db2.gz YLPAMGUJVUOIHT-KSSFIOAISA-N 1 0 369.425 2.479 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000288122436 552095057 /nfs/dbraw/zinc/09/50/57/552095057.db2.gz JIEFZCWZLVPCHJ-INIZCTEOSA-N 1 0 364.446 2.010 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288231731 552115329 /nfs/dbraw/zinc/11/53/29/552115329.db2.gz AQPQHZJLLYIIPA-JSGCOSHPSA-N 1 0 372.429 2.239 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000499828965 561559396 /nfs/dbraw/zinc/55/93/96/561559396.db2.gz NNVBVNPYDXDEDT-NSHDSACASA-N 1 0 364.402 2.248 20 5 FEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000500176531 561567353 /nfs/dbraw/zinc/56/73/53/561567353.db2.gz FRIIURODLJKDMT-WMLDXEAASA-N 1 0 374.445 2.090 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000289126493 552269937 /nfs/dbraw/zinc/26/99/37/552269937.db2.gz DQHWKEJPUUXDCT-HDJSIYSDSA-N 1 0 357.414 2.275 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290019087 552415061 /nfs/dbraw/zinc/41/50/61/552415061.db2.gz VADFXRIDQKEPSQ-UONOGXRCSA-N 1 0 366.805 2.131 20 5 FEBDRO CCc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000290542126 552495582 /nfs/dbraw/zinc/49/55/82/552495582.db2.gz PHQBKPRZYLMGGQ-OAHLLOKOSA-N 1 0 357.414 2.366 20 5 FEBDRO NC(=O)c1ccnc(N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290718090 552525308 /nfs/dbraw/zinc/52/53/08/552525308.db2.gz YIWQWYJAEKBZGG-UHFFFAOYSA-N 1 0 361.446 2.181 20 5 FEBDRO NC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290720254 552525777 /nfs/dbraw/zinc/52/57/77/552525777.db2.gz YSFDGVUVUWHYDT-AWEZNQCLSA-N 1 0 355.398 2.165 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000290892012 552556775 /nfs/dbraw/zinc/55/67/75/552556775.db2.gz UYWFBSGEBXCERG-OAHLLOKOSA-N 1 0 362.430 2.086 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000291590305 552640594 /nfs/dbraw/zinc/64/05/94/552640594.db2.gz PWQVGEIKGVRQNT-GFCCVEGCSA-N 1 0 362.434 2.391 20 5 FEBDRO CC(C)([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000292078783 552691410 /nfs/dbraw/zinc/69/14/10/552691410.db2.gz FLVSQXFTFKTOBN-ZDUSSCGKSA-N 1 0 355.460 2.091 20 5 FEBDRO C[C@@H]1C[C@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000501477707 561598245 /nfs/dbraw/zinc/59/82/45/561598245.db2.gz UDEHGCRXQBJVQF-ZBFHGGJFSA-N 1 0 371.441 2.359 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000293042701 552783538 /nfs/dbraw/zinc/78/35/38/552783538.db2.gz MGXUXTQORRHEIZ-KRWDZBQOSA-N 1 0 365.430 2.319 20 5 FEBDRO CC(C)(CCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[N+](=O)[O-] ZINC000294940697 552945768 /nfs/dbraw/zinc/94/57/68/552945768.db2.gz MNTDWHLUOGUBHJ-UHFFFAOYSA-N 1 0 363.458 2.095 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295043749 552953717 /nfs/dbraw/zinc/95/37/17/552953717.db2.gz GDJFRZFPUXASCX-CYBMUJFWSA-N 1 0 368.865 2.252 20 5 FEBDRO COc1cc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c([N+](=O)[O-])cc1O ZINC000295156463 552964449 /nfs/dbraw/zinc/96/44/49/552964449.db2.gz RSEGIIBXTDOAAM-UHFFFAOYSA-N 1 0 372.443 2.002 20 5 FEBDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295165969 552965264 /nfs/dbraw/zinc/96/52/64/552965264.db2.gz SWPMQPHEVVOBMO-MRXNPFEDSA-N 1 0 373.413 2.268 20 5 FEBDRO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]2CCO[C@H]21 ZINC000295846495 553067150 /nfs/dbraw/zinc/06/71/50/553067150.db2.gz DEFDWJZSPHSYSP-HFBAOOFYSA-N 1 0 351.378 2.466 20 5 FEBDRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000296620792 553188354 /nfs/dbraw/zinc/18/83/54/553188354.db2.gz ZFBFASPGTOAEOE-BLLLJJGKSA-N 1 0 352.460 2.392 20 5 FEBDRO O=C(NC1CC[NH+](C2CCC2)CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000296894868 553226501 /nfs/dbraw/zinc/22/65/01/553226501.db2.gz IPPQLXIQQGDBHB-UHFFFAOYSA-N 1 0 361.427 2.346 20 5 FEBDRO COc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000297254207 553269551 /nfs/dbraw/zinc/26/95/51/553269551.db2.gz UEJFIZLLXLLLHH-UHFFFAOYSA-N 1 0 351.378 2.489 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000297363149 553283479 /nfs/dbraw/zinc/28/34/79/553283479.db2.gz KRSRZGPLVKNNOL-PSASIEDQSA-N 1 0 359.329 2.157 20 5 FEBDRO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+](C)C ZINC000297841667 553345747 /nfs/dbraw/zinc/34/57/47/553345747.db2.gz KNRPNDPMNJHODY-NSHDSACASA-N 1 0 370.837 2.279 20 5 FEBDRO CN1CC[C@@H]([NH+]2CCC(Nc3nc4ccccc4cc3[N+](=O)[O-])CC2)C1=O ZINC000601176761 553356275 /nfs/dbraw/zinc/35/62/75/553356275.db2.gz MLKBETBUYLRAMP-MRXNPFEDSA-N 1 0 369.425 2.250 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298002994 553369377 /nfs/dbraw/zinc/36/93/77/553369377.db2.gz YCKUKSMDLGZIJK-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298047554 553376987 /nfs/dbraw/zinc/37/69/87/553376987.db2.gz HMKAAMBDZWMUEY-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000298797505 553474435 /nfs/dbraw/zinc/47/44/35/553474435.db2.gz DRXODPMQDVISRE-GJZGRUSLSA-N 1 0 374.441 2.235 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000298979492 553498410 /nfs/dbraw/zinc/49/84/10/553498410.db2.gz JDRYRVBYGOKCRG-UHFFFAOYSA-N 1 0 359.423 2.227 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCN(C)CC1 ZINC000299075576 553512230 /nfs/dbraw/zinc/51/22/30/553512230.db2.gz XJCWNZATGQQEFO-KRWDZBQOSA-N 1 0 373.457 2.078 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194560 553528448 /nfs/dbraw/zinc/52/84/48/553528448.db2.gz DJQSJPCQLQLUGT-CYBMUJFWSA-N 1 0 374.441 2.175 20 5 FEBDRO Cc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000299429370 553561877 /nfs/dbraw/zinc/56/18/77/553561877.db2.gz BUUMIOLKCSSWOZ-UHFFFAOYSA-N 1 0 357.414 2.193 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000299536151 553577647 /nfs/dbraw/zinc/57/76/47/553577647.db2.gz SOCLWWRCJKBSAX-INIZCTEOSA-N 1 0 359.430 2.217 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302887 561656006 /nfs/dbraw/zinc/65/60/06/561656006.db2.gz PXLWLGQYSTXSDP-JKSUJKDBSA-N 1 0 373.457 2.053 20 5 FEBDRO CCOC(=O)[C@H]1CCCN(C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000299729365 553608874 /nfs/dbraw/zinc/60/88/74/553608874.db2.gz WGWRDRQAMTVYBI-ZFWWWQNUSA-N 1 0 363.414 2.047 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000301061969 553618293 /nfs/dbraw/zinc/61/82/93/553618293.db2.gz BJLKNMZOCWWYJI-UHFFFAOYSA-N 1 0 373.369 2.025 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000301702387 553673123 /nfs/dbraw/zinc/67/31/23/553673123.db2.gz UGHATTPWFQVYSJ-UHFFFAOYSA-N 1 0 364.203 2.474 20 5 FEBDRO O=[N+]([O-])c1c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)nc2sccn21 ZINC000301747468 553676320 /nfs/dbraw/zinc/67/63/20/553676320.db2.gz QXZMHQQKKNFWSU-ZDUSSCGKSA-N 1 0 365.459 2.385 20 5 FEBDRO CS(=O)(=O)c1cccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301899113 553689831 /nfs/dbraw/zinc/68/98/31/553689831.db2.gz SVJRUNSYRRDTEE-CYBMUJFWSA-N 1 0 353.444 2.063 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059568 553701146 /nfs/dbraw/zinc/70/11/46/553701146.db2.gz BCPPOONAHBZHFK-FRRDWIJNSA-N 1 0 370.475 2.021 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302169207 553707933 /nfs/dbraw/zinc/70/79/33/553707933.db2.gz LDXXHOBATSCCNY-MLGOLLRUSA-N 1 0 355.398 2.021 20 5 FEBDRO Cc1noc(CN2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000302187768 553709527 /nfs/dbraw/zinc/70/95/27/553709527.db2.gz QBGQPVBBRGAQIF-UHFFFAOYSA-N 1 0 368.397 2.465 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000505608297 561675245 /nfs/dbraw/zinc/67/52/45/561675245.db2.gz MWKSWWMINPHGEA-IBGZPJMESA-N 1 0 369.425 2.338 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1C ZINC000325050104 553774738 /nfs/dbraw/zinc/77/47/38/553774738.db2.gz PMBKIPODCOSRSH-ZDUSSCGKSA-N 1 0 353.444 2.165 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000507380882 561727275 /nfs/dbraw/zinc/72/72/75/561727275.db2.gz MSPDMNKUEYXFBJ-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000330435701 554121606 /nfs/dbraw/zinc/12/16/06/554121606.db2.gz MBENPWZAXNBBTQ-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+](C)C)CC2)cc1SC ZINC000330521166 554132846 /nfs/dbraw/zinc/13/28/46/554132846.db2.gz HYNJYZSLWGJPHW-UHFFFAOYSA-N 1 0 353.444 2.492 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330891742 554183961 /nfs/dbraw/zinc/18/39/61/554183961.db2.gz KHDKNCGYVLWAMA-GFCCVEGCSA-N 1 0 359.423 2.086 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331299031 554243686 /nfs/dbraw/zinc/24/36/86/554243686.db2.gz OHFAPFOCEBWNBT-NSHDSACASA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000331499796 554275591 /nfs/dbraw/zinc/27/55/91/554275591.db2.gz NURWCZCHQFDYLH-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000331728865 554316802 /nfs/dbraw/zinc/31/68/02/554316802.db2.gz NWXWJOHAUGMENC-OAHLLOKOSA-N 1 0 360.414 2.313 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332071219 554374186 /nfs/dbraw/zinc/37/41/86/554374186.db2.gz CCAIPZRRAANSTF-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000332081940 554376462 /nfs/dbraw/zinc/37/64/62/554376462.db2.gz NHNFLNLCQIQELB-DZGCQCFKSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000332221308 554404076 /nfs/dbraw/zinc/40/40/76/554404076.db2.gz KINBZOXNLFBUEW-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000332224648 554404504 /nfs/dbraw/zinc/40/45/04/554404504.db2.gz LTGDEXAZJZJEEQ-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253770 554411121 /nfs/dbraw/zinc/41/11/21/554411121.db2.gz YNXTWCCIRPGQOQ-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)[C@@H]2CCCSC2)c2c(c1)COCO2 ZINC000332317866 554423632 /nfs/dbraw/zinc/42/36/32/554423632.db2.gz HTDIVPBQLJIPMK-CQSZACIVSA-N 1 0 354.428 2.151 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508726 554458832 /nfs/dbraw/zinc/45/88/32/554458832.db2.gz HAPKHESIZUIDPI-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000360810127 554890512 /nfs/dbraw/zinc/89/05/12/554890512.db2.gz KKTVKKNYNMIAGX-UHFFFAOYSA-N 1 0 355.398 2.466 20 5 FEBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360973663 554898257 /nfs/dbraw/zinc/89/82/57/554898257.db2.gz VMOGFADGAOVXNT-CYBMUJFWSA-N 1 0 353.854 2.248 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388288 554968436 /nfs/dbraw/zinc/96/84/36/554968436.db2.gz CXAQLACZSHKJMA-HUUCEWRRSA-N 1 0 361.398 2.128 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362901984 554997265 /nfs/dbraw/zinc/99/72/65/554997265.db2.gz PDJSRASEPQQVCG-NSHDSACASA-N 1 0 359.835 2.107 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422732 555101775 /nfs/dbraw/zinc/10/17/75/555101775.db2.gz IXHGJUNWTZJYLY-AGIUHOORSA-N 1 0 353.444 2.276 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458202 555110948 /nfs/dbraw/zinc/11/09/48/555110948.db2.gz ZAWUNTMONOLGTD-NWDGAFQWSA-N 1 0 354.794 2.233 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363678249 555161935 /nfs/dbraw/zinc/16/19/35/555161935.db2.gz KYMUJIZZJFMGCR-UXLLHSPISA-N 1 0 358.442 2.340 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000363694606 555166022 /nfs/dbraw/zinc/16/60/22/555166022.db2.gz ARDRQVFQFJAZLX-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901236 555209887 /nfs/dbraw/zinc/20/98/87/555209887.db2.gz YVPOWFVLUWHBSY-JSGCOSHPSA-N 1 0 359.386 2.289 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000512165352 561894531 /nfs/dbraw/zinc/89/45/31/561894531.db2.gz QFTNVEWKYDTLET-HOCLYGCPSA-N 1 0 374.441 2.451 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)c1 ZINC000364195071 555267400 /nfs/dbraw/zinc/26/74/00/555267400.db2.gz BDKVFEPCLSHYFL-HOTGVXAUSA-N 1 0 359.357 2.309 20 5 FEBDRO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000364557492 555337364 /nfs/dbraw/zinc/33/73/64/555337364.db2.gz FPLBKAKPZOLRRG-CLLJXQQHSA-N 1 0 353.806 2.498 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)n1 ZINC000365519956 555597170 /nfs/dbraw/zinc/59/71/70/555597170.db2.gz WJAQNCVFCJDLMO-CQSZACIVSA-N 1 0 364.377 2.007 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365549706 555605962 /nfs/dbraw/zinc/60/59/62/555605962.db2.gz HROWPYNWBLUJER-NUEKZKHPSA-N 1 0 365.455 2.008 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000366172515 555772095 /nfs/dbraw/zinc/77/20/95/555772095.db2.gz ZXEMVRSIRUVTRR-CYBMUJFWSA-N 1 0 356.382 2.146 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000366429399 555841332 /nfs/dbraw/zinc/84/13/32/555841332.db2.gz NCCWPKXUQUERRY-USIBVLRSSA-N 1 0 359.426 2.318 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000366965037 555984519 /nfs/dbraw/zinc/98/45/19/555984519.db2.gz ZTBGGYSMAPWIER-WPRPVWTQSA-N 1 0 360.183 2.129 20 5 FEBDRO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000367390707 556036048 /nfs/dbraw/zinc/03/60/48/556036048.db2.gz SGZGZUKDIRVILI-AWEZNQCLSA-N 1 0 357.414 2.065 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367917562 556171673 /nfs/dbraw/zinc/17/16/73/556171673.db2.gz MTLMBJHQLXWYOP-GJZGRUSLSA-N 1 0 369.425 2.385 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000368218367 556251537 /nfs/dbraw/zinc/25/15/37/556251537.db2.gz GCODQJIQTABDGX-UHFFFAOYSA-N 1 0 374.485 2.422 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000368318569 556276987 /nfs/dbraw/zinc/27/69/87/556276987.db2.gz MYHTWLFSBLDQRW-IDCODDLRSA-N 1 0 372.469 2.237 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692215 556386469 /nfs/dbraw/zinc/38/64/69/556386469.db2.gz MFQRWYVJYHXCDA-DLBZAZTESA-N 1 0 355.442 2.282 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1F ZINC000368752574 556405326 /nfs/dbraw/zinc/40/53/26/556405326.db2.gz CFFWHEBDJIJXDO-UHFFFAOYSA-N 1 0 371.434 2.197 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000368812226 556419286 /nfs/dbraw/zinc/41/92/86/556419286.db2.gz KOJCSEYGKHNFJA-LBPRGKRZSA-N 1 0 359.835 2.107 20 5 FEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958969 556459589 /nfs/dbraw/zinc/45/95/89/556459589.db2.gz PUCMFVCPHSBJTH-FDQGKXFDSA-N 1 0 369.425 2.081 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)c1 ZINC000369077233 556498783 /nfs/dbraw/zinc/49/87/83/556498783.db2.gz MGIFOLVIOKSKJQ-UKRRQHHQSA-N 1 0 373.862 2.449 20 5 FEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369316147 556572969 /nfs/dbraw/zinc/57/29/69/556572969.db2.gz YPENJEOKDVEJGZ-AWEZNQCLSA-N 1 0 363.414 2.193 20 5 FEBDRO CC(C)(C)c1cccc(OCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000516175410 562034227 /nfs/dbraw/zinc/03/42/27/562034227.db2.gz NTENOFBSDQJXHV-MRXNPFEDSA-N 1 0 362.430 2.118 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000369749600 556684570 /nfs/dbraw/zinc/68/45/70/556684570.db2.gz JPVCRQDASNAKAS-CQSZACIVSA-N 1 0 367.471 2.437 20 5 FEBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000516562967 562048146 /nfs/dbraw/zinc/04/81/46/562048146.db2.gz LBHRJNNPYHNFTA-OAHLLOKOSA-N 1 0 355.350 2.110 20 5 FEBDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000532347412 562474749 /nfs/dbraw/zinc/47/47/49/562474749.db2.gz XNMMDMYIIXZRBJ-ZDUSSCGKSA-N 1 0 358.464 2.025 20 5 FEBDRO COC(=O)[C@@H]1C[C@H](OC)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349425 556847129 /nfs/dbraw/zinc/84/71/29/556847129.db2.gz QIWJGXBCEJUAGO-CVEARBPZSA-N 1 0 352.387 2.016 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827258 556981153 /nfs/dbraw/zinc/98/11/53/556981153.db2.gz RIEQAXZKDWYYBR-JSGCOSHPSA-N 1 0 373.331 2.207 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370904078 557009706 /nfs/dbraw/zinc/00/97/06/557009706.db2.gz HITNXGTWHUTWOT-SUMWQHHRSA-N 1 0 357.414 2.141 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370920148 557015971 /nfs/dbraw/zinc/01/59/71/557015971.db2.gz ZGZSPSCWPRCPOU-DNVCBOLYSA-N 1 0 371.441 2.070 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@H]2[C@H]1c1ccccc1 ZINC000371052485 557059347 /nfs/dbraw/zinc/05/93/47/557059347.db2.gz ILFAGLKDPXQEMM-KBRIMQKVSA-N 1 0 368.393 2.070 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000371086334 557070392 /nfs/dbraw/zinc/07/03/92/557070392.db2.gz KWYTXUJCHBGKJE-UHFFFAOYSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1nc(N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)ncc1[N+](=O)[O-] ZINC000517216596 562079933 /nfs/dbraw/zinc/07/99/33/562079933.db2.gz KIYFMFBZDOBIID-PBHICJAKSA-N 1 0 357.414 2.395 20 5 FEBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371492066 557199015 /nfs/dbraw/zinc/19/90/15/557199015.db2.gz AKGDGIVLNZIJMU-WBVHZDCISA-N 1 0 371.441 2.208 20 5 FEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371540817 557215500 /nfs/dbraw/zinc/21/55/00/557215500.db2.gz DYDWGBNTZLWGHZ-UHFFFAOYSA-N 1 0 373.388 2.452 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1 ZINC000517903861 562100451 /nfs/dbraw/zinc/10/04/51/562100451.db2.gz AXJWHSRIOXKROU-UHFFFAOYSA-N 1 0 367.471 2.481 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000518607512 562115232 /nfs/dbraw/zinc/11/52/32/562115232.db2.gz DDGKBDQEAQULJK-DUVNUKRYSA-N 1 0 365.405 2.479 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000372071045 557371872 /nfs/dbraw/zinc/37/18/72/557371872.db2.gz BTRBYUPOLLBVKE-QGZVFWFLSA-N 1 0 363.458 2.344 20 5 FEBDRO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000372086334 557376555 /nfs/dbraw/zinc/37/65/55/557376555.db2.gz UPWJXHULZOWTLD-BRWVUGGUSA-N 1 0 369.425 2.242 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372296554 557432485 /nfs/dbraw/zinc/43/24/85/557432485.db2.gz RJZZALRXNCJYBN-WMZOPIPTSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000372345182 557446377 /nfs/dbraw/zinc/44/63/77/557446377.db2.gz FYDIMIPNFRVCOB-KRWDZBQOSA-N 1 0 364.442 2.473 20 5 FEBDRO CC(=O)c1ccc(N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607767 557519513 /nfs/dbraw/zinc/51/95/13/557519513.db2.gz VZINXZOJSFMUNX-KRWDZBQOSA-N 1 0 360.458 2.402 20 5 FEBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372695699 557540302 /nfs/dbraw/zinc/54/03/02/557540302.db2.gz SGJDVMOGJUOARR-AEFFLSMTSA-N 1 0 361.442 2.145 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)[nH]2)CC1 ZINC000373236447 557655928 /nfs/dbraw/zinc/65/59/28/557655928.db2.gz IPACVMGENTUIEG-UHFFFAOYSA-N 1 0 365.340 2.589 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000520006103 562148555 /nfs/dbraw/zinc/14/85/55/562148555.db2.gz IXXYEPLMCXCAAK-OAHLLOKOSA-N 1 0 363.462 2.157 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000520102661 562149279 /nfs/dbraw/zinc/14/92/79/562149279.db2.gz LUFYFBMVUASMEK-UHFFFAOYSA-N 1 0 371.441 2.402 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000373289335 557666240 /nfs/dbraw/zinc/66/62/40/557666240.db2.gz QDXGEVMMCODEON-XHDPSFHLSA-N 1 0 361.427 2.288 20 5 FEBDRO Cc1c(-c2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)on2)cnn1C ZINC000373292531 557666747 /nfs/dbraw/zinc/66/67/47/557666747.db2.gz JMRIGPRUVQMZRA-UHFFFAOYSA-N 1 0 371.401 2.325 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH]2)CC1 ZINC000373293286 557666755 /nfs/dbraw/zinc/66/67/55/557666755.db2.gz MZFAFCIZEIXMBX-UHFFFAOYSA-N 1 0 363.805 2.964 20 5 FEBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000520265221 562152105 /nfs/dbraw/zinc/15/21/05/562152105.db2.gz QXARHRMXBDHYSQ-CQSZACIVSA-N 1 0 350.419 2.005 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373467733 557699017 /nfs/dbraw/zinc/69/90/17/557699017.db2.gz UVEXSICZWHJXIF-GJZGRUSLSA-N 1 0 366.466 2.114 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000373837809 557770107 /nfs/dbraw/zinc/77/01/07/557770107.db2.gz URZJVEFPYBDUKK-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1C1CCOCC1 ZINC000373925614 557788594 /nfs/dbraw/zinc/78/85/94/557788594.db2.gz YAEJNPPQXHTBHX-QZTJIDSGSA-N 1 0 359.426 2.342 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928647 557789256 /nfs/dbraw/zinc/78/92/56/557789256.db2.gz GGLKQMABWHFHNR-RHSMWYFYSA-N 1 0 355.398 2.137 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000373939097 557791897 /nfs/dbraw/zinc/79/18/97/557791897.db2.gz QMZUDMDEIVYUPL-STQMWFEESA-N 1 0 363.414 2.359 20 5 FEBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000374585915 557902979 /nfs/dbraw/zinc/90/29/79/557902979.db2.gz LMRQEVUGFCRAJB-NSNWQYSKSA-N 1 0 350.415 2.080 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000375051528 557970100 /nfs/dbraw/zinc/97/01/00/557970100.db2.gz WIWXHOPGOUBYSO-RTBURBONSA-N 1 0 369.421 2.408 20 5 FEBDRO O=C1CC[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C2CC2)N1 ZINC000375295545 558005553 /nfs/dbraw/zinc/00/55/53/558005553.db2.gz JASRQCKSVUZHDS-HNAYVOBHSA-N 1 0 370.409 2.439 20 5 FEBDRO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394501 558020391 /nfs/dbraw/zinc/02/03/91/558020391.db2.gz UHPHUBDRSKPCIA-ZBFHGGJFSA-N 1 0 369.425 2.406 20 5 FEBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1cccc([N+](=O)[O-])c1 ZINC000375504487 558039500 /nfs/dbraw/zinc/03/95/00/558039500.db2.gz GNJGELUFBHMALB-HDMKZQKVSA-N 1 0 357.414 2.389 20 5 FEBDRO O=C(c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556448 558048032 /nfs/dbraw/zinc/04/80/32/558048032.db2.gz GWTHREZWGCYTHZ-CVEARBPZSA-N 1 0 374.441 2.106 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375570075 558050377 /nfs/dbraw/zinc/05/03/77/558050377.db2.gz GSQMXFNQUNSMNC-UHFFFAOYSA-N 1 0 357.410 2.128 20 5 FEBDRO Cc1nc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375761358 558078891 /nfs/dbraw/zinc/07/88/91/558078891.db2.gz GCBKEUNCLMTZHX-CYBMUJFWSA-N 1 0 359.386 2.494 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375879164 558092882 /nfs/dbraw/zinc/09/28/82/558092882.db2.gz HHADLPAWZPLINH-GHOSXJJBSA-N 1 0 372.469 2.235 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000375894223 558095305 /nfs/dbraw/zinc/09/53/05/558095305.db2.gz XKWBTVXDFCGKKO-DLBZAZTESA-N 1 0 370.365 2.331 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1OC(F)F ZINC000375902044 558096301 /nfs/dbraw/zinc/09/63/01/558096301.db2.gz DZHPFZUHFWQCJI-TZMCWYRMSA-N 1 0 357.357 2.232 20 5 FEBDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000375969480 558107219 /nfs/dbraw/zinc/10/72/19/558107219.db2.gz QRKVOVFYLBSLGO-OAHLLOKOSA-N 1 0 371.441 2.282 20 5 FEBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000375999221 558111852 /nfs/dbraw/zinc/11/18/52/558111852.db2.gz JXQHMVFORUTEMR-VCBZYWHSSA-N 1 0 361.442 2.426 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000376045588 558118870 /nfs/dbraw/zinc/11/88/70/558118870.db2.gz FXFWWXMSZSJEIT-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000376718906 558213151 /nfs/dbraw/zinc/21/31/51/558213151.db2.gz SACXIPKLXTUKKX-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377626875 558379833 /nfs/dbraw/zinc/37/98/33/558379833.db2.gz KYDQUWLEJRGYNZ-SFHVURJKSA-N 1 0 365.430 2.272 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1[N+](=O)[O-] ZINC000378094202 558479386 /nfs/dbraw/zinc/47/93/86/558479386.db2.gz CNXVOYSQZJKZTK-AWEZNQCLSA-N 1 0 366.487 2.205 20 5 FEBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000378236338 558508509 /nfs/dbraw/zinc/50/85/09/558508509.db2.gz XNVWOOGMGSUWKQ-BLLLJJGKSA-N 1 0 370.409 2.453 20 5 FEBDRO Cc1cn2c(n1)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000378252529 558512430 /nfs/dbraw/zinc/51/24/30/558512430.db2.gz OQNYHAINSJBATJ-CQSZACIVSA-N 1 0 364.427 2.097 20 5 FEBDRO Cn1c(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000524695259 562232419 /nfs/dbraw/zinc/23/24/19/562232419.db2.gz YLJOMPUNYBHZAS-UHFFFAOYSA-N 1 0 372.425 2.338 20 5 FEBDRO COc1cc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000525032248 562239504 /nfs/dbraw/zinc/23/95/04/562239504.db2.gz ZNFXZIWLLQLAAA-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000411491318 558904312 /nfs/dbraw/zinc/90/43/12/558904312.db2.gz PNHJGZXSBYIFMZ-HNNXBMFYSA-N 1 0 353.419 2.319 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411546135 558914836 /nfs/dbraw/zinc/91/48/36/558914836.db2.gz SDHMIWVHKMEFJW-AWEZNQCLSA-N 1 0 364.446 2.387 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411964285 558996290 /nfs/dbraw/zinc/99/62/90/558996290.db2.gz DBEZMWCKTQGWPN-APPDUMDISA-N 1 0 351.403 2.335 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411970424 558997559 /nfs/dbraw/zinc/99/75/59/558997559.db2.gz FOKFSTXNFKRJLO-SJORKVTESA-N 1 0 355.394 2.304 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412135618 559016382 /nfs/dbraw/zinc/01/63/82/559016382.db2.gz UPMFUIPGDHVAPN-ZOCIIQOWSA-N 1 0 373.453 2.315 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158600 559017517 /nfs/dbraw/zinc/01/75/17/559017517.db2.gz IBDYPVAFBTWPIX-CHWSQXEVSA-N 1 0 365.405 2.370 20 5 FEBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000413285182 559095644 /nfs/dbraw/zinc/09/56/44/559095644.db2.gz QGLJLPMSUYDORW-UHFFFAOYSA-N 1 0 361.368 2.447 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c(F)c1 ZINC000413897492 559137912 /nfs/dbraw/zinc/13/79/12/559137912.db2.gz DVULKRMSDQNUJK-UHFFFAOYSA-N 1 0 364.333 2.027 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414271385 559154688 /nfs/dbraw/zinc/15/46/88/559154688.db2.gz WLRXTGASKYPGGY-GFCCVEGCSA-N 1 0 371.459 2.115 20 5 FEBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000414329649 559156664 /nfs/dbraw/zinc/15/66/64/559156664.db2.gz PBXONEYOALRVAI-KBPBESRZSA-N 1 0 370.475 2.080 20 5 FEBDRO Cc1ccc(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000414658069 559177932 /nfs/dbraw/zinc/17/79/32/559177932.db2.gz LAZZFBUYAYFOCE-UHFFFAOYSA-N 1 0 361.446 2.241 20 5 FEBDRO CCOc1cc(NC(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])cc1OCC ZINC000414763289 559186132 /nfs/dbraw/zinc/18/61/32/559186132.db2.gz XHMYBBCVQIJCPX-NSHDSACASA-N 1 0 352.391 2.251 20 5 FEBDRO CN(c1ccccc1)c1ccc(CNC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414967318 559197508 /nfs/dbraw/zinc/19/75/08/559197508.db2.gz BAWADCPBZLRSIY-GOSISDBHSA-N 1 0 369.469 2.356 20 5 FEBDRO Cn1cc(CN[C@H]2C[NH2+]CCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415004047 559200284 /nfs/dbraw/zinc/20/02/84/559200284.db2.gz PTKQENLSIHZDFF-AWEZNQCLSA-N 1 0 351.357 2.082 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415487956 559242357 /nfs/dbraw/zinc/24/23/57/559242357.db2.gz LGWQOYHBYVPINS-CYBMUJFWSA-N 1 0 370.409 2.486 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415591764 559253544 /nfs/dbraw/zinc/25/35/44/559253544.db2.gz BBLNGZTVSCVYGH-VXGBXAGGSA-N 1 0 350.375 2.081 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606326 559254726 /nfs/dbraw/zinc/25/47/26/559254726.db2.gz YOGKRTPXJXXVHZ-GWCFXTLKSA-N 1 0 364.402 2.138 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887050 559281316 /nfs/dbraw/zinc/28/13/16/559281316.db2.gz WEZBLOPUOPKFJY-UHFFFAOYSA-N 1 0 355.398 2.474 20 5 FEBDRO [NH3+][C@H]1CCc2ncc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)cc2C1 ZINC000415922198 559282561 /nfs/dbraw/zinc/28/25/61/559282561.db2.gz ADDNSCADXVJCNU-AWEZNQCLSA-N 1 0 355.398 2.170 20 5 FEBDRO CC(C)([NH3+])CNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416883291 559336345 /nfs/dbraw/zinc/33/63/45/559336345.db2.gz JLDQBAGVHSSCNB-UHFFFAOYSA-N 1 0 363.340 2.062 20 5 FEBDRO C[C@H](CC[NH3+])NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416889550 559336878 /nfs/dbraw/zinc/33/68/78/559336878.db2.gz PWXDKFCALBKVGN-SECBINFHSA-N 1 0 363.340 2.062 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000417044792 559345517 /nfs/dbraw/zinc/34/55/17/559345517.db2.gz QOHMLZYBGVTKKX-KGLIPLIRSA-N 1 0 350.419 2.130 20 5 FEBDRO C[C@@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000417128559 559349151 /nfs/dbraw/zinc/34/91/51/559349151.db2.gz INTOXELNILSALB-HIFRSBDPSA-N 1 0 362.430 2.053 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417172959 559351367 /nfs/dbraw/zinc/35/13/67/559351367.db2.gz GOHMIIJCXZUXDB-ZIAGYGMSSA-N 1 0 362.430 2.135 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000417177099 559351593 /nfs/dbraw/zinc/35/15/93/559351593.db2.gz CPQSZZSPENWVSL-AWEZNQCLSA-N 1 0 350.419 2.310 20 5 FEBDRO CC(=O)N1CCN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417328364 559357767 /nfs/dbraw/zinc/35/77/67/559357767.db2.gz SKZRXXJUQZKKML-IBGZPJMESA-N 1 0 360.458 2.116 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417387353 559360359 /nfs/dbraw/zinc/36/03/59/559360359.db2.gz NJPGSVISGDCYOU-DGCLKSJQSA-N 1 0 356.373 2.241 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000417712198 559373559 /nfs/dbraw/zinc/37/35/59/559373559.db2.gz FVONAJZCPIMTSH-GJZGRUSLSA-N 1 0 363.462 2.474 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000417711036 559373569 /nfs/dbraw/zinc/37/35/69/559373569.db2.gz CVNVACPDQLNHBR-LSDHHAIUSA-N 1 0 363.462 2.474 20 5 FEBDRO CO[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000417857244 559379566 /nfs/dbraw/zinc/37/95/66/559379566.db2.gz UAVPLJOGUWCKDA-VHDGCEQUSA-N 1 0 350.419 2.112 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417997897 559385813 /nfs/dbraw/zinc/38/58/13/559385813.db2.gz UQFLYEFEMQWUMS-UMVBOHGHSA-N 1 0 366.849 2.478 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418081748 559389480 /nfs/dbraw/zinc/38/94/80/559389480.db2.gz HBANYPJKJPZCOZ-CYBMUJFWSA-N 1 0 372.429 2.002 20 5 FEBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418085147 559389573 /nfs/dbraw/zinc/38/95/73/559389573.db2.gz UEVFZCIEXCQPCT-CQSZACIVSA-N 1 0 360.418 2.049 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418092162 559389922 /nfs/dbraw/zinc/38/99/22/559389922.db2.gz QWEOARLNYOHHTL-NWDGAFQWSA-N 1 0 372.347 2.365 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098185 559389955 /nfs/dbraw/zinc/38/99/55/559389955.db2.gz ZJJLHPYEINAYGF-ZANVPECISA-N 1 0 360.336 2.411 20 5 FEBDRO [NH3+]C1CCC(NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000418399904 559400105 /nfs/dbraw/zinc/40/01/05/559400105.db2.gz LUDFSNAZJKODNT-UHFFFAOYSA-N 1 0 362.430 2.418 20 5 FEBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000418786205 559416059 /nfs/dbraw/zinc/41/60/59/559416059.db2.gz IQUBGRKWLVGYOG-ZIAGYGMSSA-N 1 0 362.430 2.275 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000419146144 559429980 /nfs/dbraw/zinc/42/99/80/559429980.db2.gz HWIUYSKCTAKPGO-OLZOCXBDSA-N 1 0 370.409 2.108 20 5 FEBDRO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420327102 559480820 /nfs/dbraw/zinc/48/08/20/559480820.db2.gz CXTJFGLHKCYGJF-TXEJJXNPSA-N 1 0 352.822 2.118 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370787 559483478 /nfs/dbraw/zinc/48/34/78/559483478.db2.gz CVTUISVOTKEZPZ-KDOFPFPSSA-N 1 0 360.414 2.454 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000420370795 559483585 /nfs/dbraw/zinc/48/35/85/559483585.db2.gz CVTUISVOTKEZPZ-RDTXWAMCSA-N 1 0 360.414 2.454 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390589 559484826 /nfs/dbraw/zinc/48/48/26/559484826.db2.gz YLSIWWPMXCYWNW-SCLBCKFNSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420397026 559485343 /nfs/dbraw/zinc/48/53/43/559485343.db2.gz FUOHCHRNWKIXGC-GOSISDBHSA-N 1 0 354.410 2.488 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000420411410 559486400 /nfs/dbraw/zinc/48/64/00/559486400.db2.gz APNNLQWAMHPQOT-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2CN1 ZINC000420457121 559488472 /nfs/dbraw/zinc/48/84/72/559488472.db2.gz IKUNYZQKODEVSJ-CYBMUJFWSA-N 1 0 361.423 2.423 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467473 559489111 /nfs/dbraw/zinc/48/91/11/559489111.db2.gz SPLLGKLJQKHKSV-LBPRGKRZSA-N 1 0 355.441 2.197 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420467434 559489120 /nfs/dbraw/zinc/48/91/20/559489120.db2.gz SIZZAIUCWSKMRY-KRWDZBQOSA-N 1 0 363.439 2.277 20 5 FEBDRO CCc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423211037 559622842 /nfs/dbraw/zinc/62/28/42/559622842.db2.gz XSAZFKYXTWLNMI-LJQANCHMSA-N 1 0 358.442 2.334 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H](C[NH3+])C1CC1 ZINC000423940737 559647282 /nfs/dbraw/zinc/64/72/82/559647282.db2.gz AZMQZHMPICUDJG-ZDUSSCGKSA-N 1 0 356.220 2.096 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC2(CC[NH2+]2)CC1 ZINC000424050496 559652687 /nfs/dbraw/zinc/65/26/87/559652687.db2.gz DFLLMLLMJNPQDE-UHFFFAOYSA-N 1 0 368.231 2.254 20 5 FEBDRO [NH3+]CC1(O)CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000424052043 559652764 /nfs/dbraw/zinc/65/27/64/559652764.db2.gz ACSLCJXEBQIGLD-UHFFFAOYSA-N 1 0 370.409 2.264 20 5 FEBDRO C[C@H]1CC2(CN1C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000424237111 559658893 /nfs/dbraw/zinc/65/88/93/559658893.db2.gz MDFMVMRZBJJONG-AWEZNQCLSA-N 1 0 369.425 2.385 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424309596 559661295 /nfs/dbraw/zinc/66/12/95/559661295.db2.gz AVDBQUDKYQFHSH-NWDGAFQWSA-N 1 0 351.428 2.203 20 5 FEBDRO CS(=O)(=O)c1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424348962 559661710 /nfs/dbraw/zinc/66/17/10/559661710.db2.gz VDALNBLDJSIMMH-UHFFFAOYSA-N 1 0 366.399 2.166 20 5 FEBDRO Cn1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425061030 559685954 /nfs/dbraw/zinc/68/59/54/559685954.db2.gz XMSZYXIADYHBON-WMLDXEAASA-N 1 0 369.425 2.162 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425325535 559696806 /nfs/dbraw/zinc/69/68/06/559696806.db2.gz OPQNXEVLGRQYGN-WMLDXEAASA-N 1 0 368.393 2.042 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000427373665 559754355 /nfs/dbraw/zinc/75/43/55/559754355.db2.gz BRBYUBIFYUBSTP-GOEBONIOSA-N 1 0 371.441 2.452 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)n1 ZINC000427618410 559758909 /nfs/dbraw/zinc/75/89/09/559758909.db2.gz OYTDNYLSIDGOGK-UHFFFAOYSA-N 1 0 373.413 2.020 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000428051324 559768671 /nfs/dbraw/zinc/76/86/71/559768671.db2.gz YNEIVICBNCHNLW-ZDUSSCGKSA-N 1 0 358.398 2.074 20 5 FEBDRO C[NH2+]Cc1cccc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000428313619 559773202 /nfs/dbraw/zinc/77/32/02/559773202.db2.gz RFYFWAINIKAKOY-UHFFFAOYSA-N 1 0 357.366 2.267 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428560715 559778389 /nfs/dbraw/zinc/77/83/89/559778389.db2.gz CKLHJZCYGHIDKJ-CQSZACIVSA-N 1 0 372.377 2.109 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429228824 559793420 /nfs/dbraw/zinc/79/34/20/559793420.db2.gz RYYJEKOLXMCLBQ-ZDUSSCGKSA-N 1 0 371.393 2.395 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429312177 559795614 /nfs/dbraw/zinc/79/56/14/559795614.db2.gz OHAIYUQPNHNOQU-WCQYABFASA-N 1 0 371.393 2.393 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000429492821 559799748 /nfs/dbraw/zinc/79/97/48/559799748.db2.gz HAOPEWWCPJIHTO-OLZOCXBDSA-N 1 0 370.409 2.049 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026234 559832564 /nfs/dbraw/zinc/83/25/64/559832564.db2.gz RIMOXTKIYTYMSC-ZDUSSCGKSA-N 1 0 362.430 2.006 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000432849696 559866218 /nfs/dbraw/zinc/86/62/18/559866218.db2.gz BKASQFBTNANPGU-UHFFFAOYSA-N 1 0 363.439 2.477 20 5 FEBDRO COC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000433017082 559870061 /nfs/dbraw/zinc/87/00/61/559870061.db2.gz XDKBEDIZCDMVIC-RCBQFDQVSA-N 1 0 351.403 2.096 20 5 FEBDRO CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433057454 559870792 /nfs/dbraw/zinc/87/07/92/559870792.db2.gz LOJAFOFBQUBORB-MRXNPFEDSA-N 1 0 367.471 2.188 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000433097784 559871774 /nfs/dbraw/zinc/87/17/74/559871774.db2.gz PGANRURSGBCZNL-GFCCVEGCSA-N 1 0 371.397 2.455 20 5 FEBDRO COc1cccc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1[N+](=O)[O-] ZINC000435819881 559930610 /nfs/dbraw/zinc/93/06/10/559930610.db2.gz UORASCFIPCCPHE-UHFFFAOYSA-N 1 0 372.381 2.356 20 5 FEBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000436301738 559939496 /nfs/dbraw/zinc/93/94/96/559939496.db2.gz NTJTXQUNEOCRJC-OIRASMEMSA-N 1 0 353.444 2.203 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000440440371 560011089 /nfs/dbraw/zinc/01/10/89/560011089.db2.gz FUTNUAHUKJOTQS-NSHDSACASA-N 1 0 359.835 2.072 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440715468 560017048 /nfs/dbraw/zinc/01/70/48/560017048.db2.gz GZCKIULGAUAFIW-AWEZNQCLSA-N 1 0 364.446 2.128 20 5 FEBDRO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000443869996 560095039 /nfs/dbraw/zinc/09/50/39/560095039.db2.gz RMJVOHHAADPQKV-HNNXBMFYSA-N 1 0 372.425 2.403 20 5 FEBDRO Cc1c(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000443868407 560095087 /nfs/dbraw/zinc/09/50/87/560095087.db2.gz MKTXIBRPRJXJFB-QGZVFWFLSA-N 1 0 361.442 2.159 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000443956540 560097282 /nfs/dbraw/zinc/09/72/82/560097282.db2.gz HJBAEIFPGPJJSK-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445144381 560129728 /nfs/dbraw/zinc/12/97/28/560129728.db2.gz SFZLELKSESMZGR-UHFFFAOYSA-N 1 0 360.418 2.145 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000446336019 560144437 /nfs/dbraw/zinc/14/44/37/560144437.db2.gz CSYUOEWDKDPUEE-GFCCVEGCSA-N 1 0 355.822 2.085 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOC[C@@H]2CCCO2)n1 ZINC000447515160 560163584 /nfs/dbraw/zinc/16/35/84/560163584.db2.gz BCKMCFIALQGYEY-HRCADAONSA-N 1 0 352.435 2.450 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000448887531 560204978 /nfs/dbraw/zinc/20/49/78/560204978.db2.gz SNCXDTZSNAORMQ-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc([N+](=O)[O-])c1OC ZINC000449205207 560219968 /nfs/dbraw/zinc/21/99/68/560219968.db2.gz NJYIYHQEILSHHC-QWHCGFSZSA-N 1 0 363.414 2.074 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449613355 560234867 /nfs/dbraw/zinc/23/48/67/560234867.db2.gz RSISWEHHAYJMLV-IONNQARKSA-N 1 0 351.737 2.114 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(F)F ZINC000449632553 560235156 /nfs/dbraw/zinc/23/51/56/560235156.db2.gz XRKHNAFCWUIFEH-SNVBAGLBSA-N 1 0 356.354 2.431 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000449711963 560237824 /nfs/dbraw/zinc/23/78/24/560237824.db2.gz PUNJLRVTESNPOP-DOTOQJQBSA-N 1 0 371.441 2.314 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985939 560247376 /nfs/dbraw/zinc/24/73/76/560247376.db2.gz NPPFVLDMXPESEW-PXAZEXFGSA-N 1 0 357.414 2.397 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@@H]21 ZINC000450146941 560252170 /nfs/dbraw/zinc/25/21/70/560252170.db2.gz MJONSJUMEMHXSJ-CVEARBPZSA-N 1 0 369.425 2.337 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450594308 560267307 /nfs/dbraw/zinc/26/73/07/560267307.db2.gz KFJITEXPXLTNRZ-NSHDSACASA-N 1 0 359.224 2.011 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc1-c1ccccc1 ZINC000450610782 560268018 /nfs/dbraw/zinc/26/80/18/560268018.db2.gz HHOIBAUBTOEWLP-MRXNPFEDSA-N 1 0 356.426 2.916 20 5 FEBDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000451228528 560294397 /nfs/dbraw/zinc/29/43/97/560294397.db2.gz IFPSCJDQQZPFTH-IAGOWNOFSA-N 1 0 374.393 2.032 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451481132 560309646 /nfs/dbraw/zinc/30/96/46/560309646.db2.gz AETHAVKMGGZHAQ-YOEHRIQHSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451501277 560310636 /nfs/dbraw/zinc/31/06/36/560310636.db2.gz OSBPHOQGNAMEBY-LKTVYLICSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451505474 560310999 /nfs/dbraw/zinc/31/09/99/560310999.db2.gz UHHPNUVQNNAFNK-GTTSAUCSSA-N 1 0 351.403 2.191 20 5 FEBDRO O=c1n2ccccc2nn1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548436 560313787 /nfs/dbraw/zinc/31/37/87/560313787.db2.gz NFDANSHQOWQYMA-MRXNPFEDSA-N 1 0 367.409 2.284 20 5 FEBDRO COc1cc(C(=O)NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000451852612 560332430 /nfs/dbraw/zinc/33/24/30/560332430.db2.gz NXSGEPSGXWTLHQ-UHFFFAOYSA-N 1 0 371.434 2.300 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000451920869 560337437 /nfs/dbraw/zinc/33/74/37/560337437.db2.gz YIQLIAHMIGEHHZ-CVEARBPZSA-N 1 0 360.458 2.251 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456035082 560505123 /nfs/dbraw/zinc/50/51/23/560505123.db2.gz ANUWACJATBEMBO-CZUORRHYSA-N 1 0 369.425 2.282 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456350747 560516700 /nfs/dbraw/zinc/51/67/00/560516700.db2.gz LZWZGXCCMFNOQV-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc([N+](=O)[O-])c1 ZINC000456554466 560524124 /nfs/dbraw/zinc/52/41/24/560524124.db2.gz OVXKMRDWIUHLET-CYBMUJFWSA-N 1 0 363.414 2.328 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457095118 560548388 /nfs/dbraw/zinc/54/83/88/560548388.db2.gz PIYOEPVHNUYPHL-CQSZACIVSA-N 1 0 367.471 2.234 20 5 FEBDRO CON1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000459583862 560695804 /nfs/dbraw/zinc/69/58/04/560695804.db2.gz UTZSTTRPBGLHCH-UHFFFAOYSA-N 1 0 350.419 2.189 20 5 FEBDRO COc1ccc(NC(=O)CN2CC3(CCC3)[C@@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000459666126 560701227 /nfs/dbraw/zinc/70/12/27/560701227.db2.gz GUKZHBSJLSVUAM-CZUORRHYSA-N 1 0 361.398 2.043 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459767657 560707238 /nfs/dbraw/zinc/70/72/38/560707238.db2.gz QDPLJQSGEHPGLO-HZPDHXFCSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC[C@H]1CCCO1 ZINC000467162131 560905327 /nfs/dbraw/zinc/90/53/27/560905327.db2.gz XREDUJMNONLDTR-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467669405 560914581 /nfs/dbraw/zinc/91/45/81/560914581.db2.gz WUGOVCDDEUTJCA-LJQANCHMSA-N 1 0 373.384 2.101 20 5 FEBDRO COc1cc(S(=O)(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469188442 560949386 /nfs/dbraw/zinc/94/93/86/560949386.db2.gz WWHIIKOQNXMVPT-BETUJISGSA-N 1 0 371.459 2.145 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000470063725 560973210 /nfs/dbraw/zinc/97/32/10/560973210.db2.gz AFNYKIQBFRNXAY-HNNXBMFYSA-N 1 0 374.441 2.167 20 5 FEBDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000472603150 561030828 /nfs/dbraw/zinc/03/08/28/561030828.db2.gz CDFYDYWQOPTZEY-CVEARBPZSA-N 1 0 357.414 2.424 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000472633914 561031505 /nfs/dbraw/zinc/03/15/05/561031505.db2.gz UPNYVRWNBVMJIL-KCTSRDHCSA-N 1 0 351.403 2.071 20 5 FEBDRO CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472693437 561033185 /nfs/dbraw/zinc/03/31/85/561033185.db2.gz XHXIVWINLMZBFM-UHFFFAOYSA-N 1 0 368.409 2.253 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000473944307 561061513 /nfs/dbraw/zinc/06/15/13/561061513.db2.gz JVIYRIKGXAQTTQ-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000473995455 561062989 /nfs/dbraw/zinc/06/29/89/561062989.db2.gz LIJWBYPOUZLUKA-HIFRSBDPSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000475692789 561102361 /nfs/dbraw/zinc/10/23/61/561102361.db2.gz BFFYJNVRFJQQGT-CQSZACIVSA-N 1 0 352.387 2.005 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475706398 561102900 /nfs/dbraw/zinc/10/29/00/561102900.db2.gz PBWDYBPYVHMAGH-CABCVRRESA-N 1 0 364.398 2.148 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000476637144 561124887 /nfs/dbraw/zinc/12/48/87/561124887.db2.gz UJEVGHNSMPMVGU-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476646625 561125105 /nfs/dbraw/zinc/12/51/05/561125105.db2.gz HJAHUZMIDCCDKK-UHFFFAOYSA-N 1 0 372.429 2.102 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000530441521 562411339 /nfs/dbraw/zinc/41/13/39/562411339.db2.gz JHOQGDOVTXBTQU-UHFFFAOYSA-N 1 0 359.382 2.182 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530811479 562424670 /nfs/dbraw/zinc/42/46/70/562424670.db2.gz SQGFRUVSNUAVKS-FQEVSTJZSA-N 1 0 369.421 2.190 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000531847689 562458685 /nfs/dbraw/zinc/45/86/85/562458685.db2.gz VZMVCPWGHJMGHL-UHFFFAOYSA-N 1 0 361.398 2.465 20 5 FEBDRO CC1(C)CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000532011483 562463995 /nfs/dbraw/zinc/46/39/95/562463995.db2.gz FSTKKHOCFNWLPD-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165061 562469311 /nfs/dbraw/zinc/46/93/11/562469311.db2.gz QEGOCJPBLBWKBR-ZDUSSCGKSA-N 1 0 370.475 2.131 20 5 FEBDRO C[NH+](C)CC1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000532921138 562492649 /nfs/dbraw/zinc/49/26/49/562492649.db2.gz UYPAZJSLHJQAAF-UHFFFAOYSA-N 1 0 354.838 2.460 20 5 FEBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000534139001 562526314 /nfs/dbraw/zinc/52/63/14/562526314.db2.gz YAQNRZDMEXLSEE-INIZCTEOSA-N 1 0 357.410 2.472 20 5 FEBDRO COC(=O)c1cc(N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc(C)c1[N+](=O)[O-] ZINC000536995811 562583820 /nfs/dbraw/zinc/58/38/20/562583820.db2.gz KVIUYMTZYPRQAD-UONOGXRCSA-N 1 0 353.444 2.172 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000541228011 562606529 /nfs/dbraw/zinc/60/65/29/562606529.db2.gz CRHPKOWRJSNLGJ-XJKSGUPXSA-N 1 0 357.414 2.170 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000541276069 562607821 /nfs/dbraw/zinc/60/78/21/562607821.db2.gz CQWHYHPJEOVPSN-OAHLLOKOSA-N 1 0 373.409 2.273 20 5 FEBDRO C[C@@H](CCC(F)(F)F)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000541540014 562614878 /nfs/dbraw/zinc/61/48/78/562614878.db2.gz AZTGTQZWFVGMOG-JTQLQIEISA-N 1 0 369.365 2.194 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1Br ZINC000602690475 568015230 /nfs/dbraw/zinc/01/52/30/568015230.db2.gz NNEWGHGBRSCWBO-KCJUWKMLSA-N 1 0 365.249 2.296 20 5 FEBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000181869529 568053499 /nfs/dbraw/zinc/05/34/99/568053499.db2.gz BOPMCOOGPBNWSU-LBPRGKRZSA-N 1 0 366.381 2.125 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000568619740 568099668 /nfs/dbraw/zinc/09/96/68/568099668.db2.gz HDGZECUPVVTCMS-QGZVFWFLSA-N 1 0 358.394 2.102 20 5 FEBDRO CS(=O)(=O)C1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000569072307 568270604 /nfs/dbraw/zinc/27/06/04/568270604.db2.gz CJEXEXFKOXEWTB-PFSRBDOWSA-N 1 0 370.475 2.220 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H](CO)c2cccnc2)c1 ZINC000569046711 568280450 /nfs/dbraw/zinc/28/04/50/568280450.db2.gz DJNURYKWOCWTMT-CYBMUJFWSA-N 1 0 353.325 2.457 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000569474898 568401733 /nfs/dbraw/zinc/40/17/33/568401733.db2.gz VJAICJMEECPWRI-UWVGGRQHSA-N 1 0 373.356 2.452 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cccc(F)c2F)c1 ZINC000569687134 568411860 /nfs/dbraw/zinc/41/18/60/568411860.db2.gz NLBRDGXPFYTEJX-CQSZACIVSA-N 1 0 352.337 2.445 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570240376 568465314 /nfs/dbraw/zinc/46/53/14/568465314.db2.gz PHGVGEWRSAUDQB-CYBMUJFWSA-N 1 0 359.430 2.260 20 5 FEBDRO C[C@@H]1CCC[C@@](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])(N(C)C)C1 ZINC000570546474 568486546 /nfs/dbraw/zinc/48/65/46/568486546.db2.gz JARMFIBLEZYKCV-JTDSTZFVSA-N 1 0 365.474 2.435 20 5 FEBDRO CC(C)CN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676219 568495008 /nfs/dbraw/zinc/49/50/08/568495008.db2.gz LGWQJAZJIUEORF-IRXDYDNUSA-N 1 0 365.474 2.435 20 5 FEBDRO CC1CCC([NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)CC1 ZINC000736239616 599062171 /nfs/dbraw/zinc/06/21/71/599062171.db2.gz HKCJVUGZVGIFHA-UHFFFAOYSA-N 1 0 371.445 2.476 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)cc1[N+](=O)[O-] ZINC000557079829 674435301 /nfs/dbraw/zinc/43/53/01/674435301.db2.gz KHWJUKSOLPYGQI-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736239777 598498470 /nfs/dbraw/zinc/49/84/70/598498470.db2.gz XVJWBBUVLKPPFK-JHJVBQTASA-N 1 0 372.433 2.012 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CCCCC1 ZINC000736758770 598499535 /nfs/dbraw/zinc/49/95/35/598499535.db2.gz HZTPMTFMFNHLHF-AWEZNQCLSA-N 1 0 360.422 2.092 20 5 FEBDRO [NH3+]C[C@H]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000557206260 674442165 /nfs/dbraw/zinc/44/21/65/674442165.db2.gz QWAHUWRHEQJUMJ-SNVBAGLBSA-N 1 0 360.336 2.494 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738368219 599534100 /nfs/dbraw/zinc/53/41/00/599534100.db2.gz ATPFCTOANZSWOK-ZDUSSCGKSA-N 1 0 357.418 2.230 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640020 607470676 /nfs/dbraw/zinc/47/06/76/607470676.db2.gz PPGIBSFZPPNHER-BLLLJJGKSA-N 1 0 369.429 2.228 20 5 FEBDRO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000820280717 606709522 /nfs/dbraw/zinc/70/95/22/606709522.db2.gz NEZGTFDFOGMVAA-GFCCVEGCSA-N 1 0 368.401 2.102 20 5 FEBDRO CS(=O)(=O)C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000559858250 674558868 /nfs/dbraw/zinc/55/88/68/674558868.db2.gz UYXPCFGVGNSKJV-INIZCTEOSA-N 1 0 351.428 2.031 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000811814200 674630349 /nfs/dbraw/zinc/63/03/49/674630349.db2.gz SQOXQEJIWVRWLX-QGZVFWFLSA-N 1 0 353.419 2.003 20 5 FEBDRO CCOc1cc(C(=O)N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000563339372 674874087 /nfs/dbraw/zinc/87/40/87/674874087.db2.gz RMJBRDNBKPRSFG-UHFFFAOYSA-N 1 0 351.403 2.203 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cc(F)ccc1F ZINC000563529276 674903303 /nfs/dbraw/zinc/90/33/03/674903303.db2.gz XHSWYZPZIGFXBU-AWEZNQCLSA-N 1 0 352.337 2.445 20 5 FEBDRO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000565427561 675120965 /nfs/dbraw/zinc/12/09/65/675120965.db2.gz QLNFNFUMVHGQIO-RISCZKNCSA-N 1 0 362.373 2.444 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000093018649 670747680 /nfs/dbraw/zinc/74/76/80/670747680.db2.gz MKQOVBMTSWIBPH-LLVKDONJSA-N 1 0 361.439 2.297 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000565707827 675145092 /nfs/dbraw/zinc/14/50/92/675145092.db2.gz LHUINVVNJKGEDM-CQSZACIVSA-N 1 0 370.475 2.309 20 5 FEBDRO CCc1ccc(S(=O)(=O)NCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000565830557 675154272 /nfs/dbraw/zinc/15/42/72/675154272.db2.gz ICUAMIJWSQQCHE-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO COC(=O)c1cnc(N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000572185056 670970694 /nfs/dbraw/zinc/97/06/94/670970694.db2.gz GRSPZWZFTZOWRV-UHFFFAOYSA-N 1 0 350.419 2.333 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000573529284 671133494 /nfs/dbraw/zinc/13/34/94/671133494.db2.gz SJYUZHATVLSKCD-LBPRGKRZSA-N 1 0 359.448 2.002 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000574328101 671227144 /nfs/dbraw/zinc/22/71/44/671227144.db2.gz SHXRRAHKAHCWFS-QWHCGFSZSA-N 1 0 371.459 2.097 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000817879821 675184755 /nfs/dbraw/zinc/18/47/55/675184755.db2.gz GTJWBKAFXLSCDJ-NSHDSACASA-N 1 0 352.822 2.403 20 5 FEBDRO CSc1ccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000566212281 675194042 /nfs/dbraw/zinc/19/40/42/675194042.db2.gz PLWRIRUNJYIKLW-CYBMUJFWSA-N 1 0 365.455 2.144 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@H]1CCCC[C@H]1O ZINC000576755408 671392101 /nfs/dbraw/zinc/39/21/01/671392101.db2.gz JRQQIZXFVYQPFO-BFYDXBDKSA-N 1 0 352.431 2.255 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC[C@@H]1CCCC[C@@H]1O ZINC000576755410 671392218 /nfs/dbraw/zinc/39/22/18/671392218.db2.gz JRQQIZXFVYQPFO-UXLLHSPISA-N 1 0 352.431 2.255 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000576914468 671403840 /nfs/dbraw/zinc/40/38/40/671403840.db2.gz GUTAVNZBFVQZSB-UHFFFAOYSA-N 1 0 350.419 2.231 20 5 FEBDRO CSC1(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000577032253 671411640 /nfs/dbraw/zinc/41/16/40/671411640.db2.gz KVPPHMBNFQHTQC-UHFFFAOYSA-N 1 0 363.443 2.483 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCC[N@H+](CC)C(C)C)cc([N+](=O)[O-])c1 ZINC000608838761 675905280 /nfs/dbraw/zinc/90/52/80/675905280.db2.gz IOVVGBHILGUYOW-UHFFFAOYSA-N 1 0 351.403 2.232 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(Cc3cccc(Cl)c3)CC2)c1 ZINC000577503242 671600789 /nfs/dbraw/zinc/60/07/89/671600789.db2.gz NZCXFZWZADSQGE-MRXNPFEDSA-N 1 0 364.833 2.418 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000609352735 675920060 /nfs/dbraw/zinc/92/00/60/675920060.db2.gz AYWRATXLOZWNSU-CYBMUJFWSA-N 1 0 373.862 2.497 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674202 675931979 /nfs/dbraw/zinc/93/19/79/675931979.db2.gz GLHIASLHUNSEDO-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000580570227 671818763 /nfs/dbraw/zinc/81/87/63/671818763.db2.gz RXWOIVMFSORNDJ-INIZCTEOSA-N 1 0 367.471 2.233 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000580774042 671832046 /nfs/dbraw/zinc/83/20/46/671832046.db2.gz LQEVIYUUSSCZRK-HZPDHXFCSA-N 1 0 352.431 2.113 20 5 FEBDRO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000610133760 675955933 /nfs/dbraw/zinc/95/59/33/675955933.db2.gz TWURPKONSDLKTE-QWHCGFSZSA-N 1 0 350.419 2.476 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135140 675956202 /nfs/dbraw/zinc/95/62/02/675956202.db2.gz KFRZMQVSKTWMGJ-KGLIPLIRSA-N 1 0 355.460 2.397 20 5 FEBDRO CN1CC[NH+](CCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000582007911 671958639 /nfs/dbraw/zinc/95/86/39/671958639.db2.gz POZAMKCHGWJCPQ-OAHLLOKOSA-N 1 0 360.380 2.425 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000583747734 672122935 /nfs/dbraw/zinc/12/29/35/672122935.db2.gz CBYXABCBYSFWPG-CNFKPDSXSA-N 1 0 370.471 2.004 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000583747736 672122940 /nfs/dbraw/zinc/12/29/40/672122940.db2.gz CBYXABCBYSFWPG-UZDJEATASA-N 1 0 370.471 2.004 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sccc1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000180432166 672413577 /nfs/dbraw/zinc/41/35/77/672413577.db2.gz AOGZPIVUDJYGRE-ZJUUUORDSA-N 1 0 362.411 2.433 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000586767528 672432199 /nfs/dbraw/zinc/43/21/99/672432199.db2.gz OAYRTXWASAECMZ-CYBMUJFWSA-N 1 0 354.401 2.085 20 5 FEBDRO CC(C)(CO)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589316903 672521713 /nfs/dbraw/zinc/52/17/13/672521713.db2.gz DOMRLTJCKRHDQU-UHFFFAOYSA-N 1 0 364.183 2.308 20 5 FEBDRO CSc1cccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000589527528 672530383 /nfs/dbraw/zinc/53/03/83/672530383.db2.gz MDTDOTSKKUDYQM-UHFFFAOYSA-N 1 0 368.503 2.272 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000589930775 672548749 /nfs/dbraw/zinc/54/87/49/672548749.db2.gz LDUQFSJHEMSSHV-CYBMUJFWSA-N 1 0 367.471 2.398 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000590045726 672556092 /nfs/dbraw/zinc/55/60/92/672556092.db2.gz TYWBXCJSCOJPSQ-RISCZKNCSA-N 1 0 368.231 2.062 20 5 FEBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000590446698 672583418 /nfs/dbraw/zinc/58/34/18/672583418.db2.gz VVDARYOEMHCPJI-KRWDZBQOSA-N 1 0 363.483 2.471 20 5 FEBDRO C[N@@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000591143055 672654406 /nfs/dbraw/zinc/65/44/06/672654406.db2.gz UKSLBAYFPZOCLG-UHFFFAOYSA-N 1 0 361.368 2.448 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000591587311 672692317 /nfs/dbraw/zinc/69/23/17/672692317.db2.gz LLUVFWBSFRUUCE-CABCVRRESA-N 1 0 365.817 2.089 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000592136704 672762665 /nfs/dbraw/zinc/76/26/65/672762665.db2.gz DHVPLIFIHPPNAC-QGZVFWFLSA-N 1 0 365.455 2.440 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000592255934 672777920 /nfs/dbraw/zinc/77/79/20/672777920.db2.gz UVHGDXQAKOTJMJ-NWDGAFQWSA-N 1 0 350.394 2.168 20 5 FEBDRO O=C(CN(C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592471161 672806908 /nfs/dbraw/zinc/80/69/08/672806908.db2.gz CXIXMFORVPYUKQ-UHFFFAOYSA-N 1 0 352.822 2.403 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593060904 672869731 /nfs/dbraw/zinc/86/97/31/672869731.db2.gz FMKRHUJYKWOXED-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000612121388 676069676 /nfs/dbraw/zinc/06/96/76/676069676.db2.gz RPETZZPCIVEFIO-HOTGVXAUSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730570 672983961 /nfs/dbraw/zinc/98/39/61/672983961.db2.gz LDROQKMRDCCOMS-PWSUYJOCSA-N 1 0 361.851 2.386 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593730200 672984024 /nfs/dbraw/zinc/98/40/24/672984024.db2.gz FKFLRABNGKTHQB-WFASDCNBSA-N 1 0 355.460 2.295 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000593919642 673008097 /nfs/dbraw/zinc/00/80/97/673008097.db2.gz WJDRQDQOKVBWBM-HFBAOOFYSA-N 1 0 351.378 2.235 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484382 673088215 /nfs/dbraw/zinc/08/82/15/673088215.db2.gz QLFMGHWUWJVFQD-UKRRQHHQSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000725825294 673093167 /nfs/dbraw/zinc/09/31/67/673093167.db2.gz WVRPYTBXBHDUNH-NEPJUHHUSA-N 1 0 359.835 2.153 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC3(CCCC3)O2)c1 ZINC000594576056 673101290 /nfs/dbraw/zinc/10/12/90/673101290.db2.gz ZEMLNRVJIIOINF-DOTOQJQBSA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793968 673145456 /nfs/dbraw/zinc/14/54/56/673145456.db2.gz XQAMCYMDARALNL-ZDUSSCGKSA-N 1 0 355.460 2.302 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000594861016 673168498 /nfs/dbraw/zinc/16/84/98/673168498.db2.gz HKAHVOXXQBVVDH-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000424025268 673203124 /nfs/dbraw/zinc/20/31/24/673203124.db2.gz IMEQOKTXSREFRU-QGZVFWFLSA-N 1 0 365.455 2.191 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312444 673221490 /nfs/dbraw/zinc/22/14/90/673221490.db2.gz MOWQIGCGOBFRFE-QGZVFWFLSA-N 1 0 350.438 2.336 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595504397 673258882 /nfs/dbraw/zinc/25/88/82/673258882.db2.gz IOBANYUFZNNFGW-UHFFFAOYSA-N 1 0 351.357 2.282 20 5 FEBDRO COC1CC[NH+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000730790463 673290879 /nfs/dbraw/zinc/29/08/79/673290879.db2.gz XFESUIJMAAHVGZ-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000596165640 673364604 /nfs/dbraw/zinc/36/46/04/673364604.db2.gz MCVUUMYNLPEPDX-DZGCQCFKSA-N 1 0 354.838 2.245 20 5 FEBDRO COC(=O)c1cc(NCCN2C[C@H](C)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427250 673384374 /nfs/dbraw/zinc/38/43/74/673384374.db2.gz DNJPWJIUWPSUSO-STQMWFEESA-N 1 0 351.403 2.211 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000537718096 673402710 /nfs/dbraw/zinc/40/27/10/673402710.db2.gz GBAHJEZNGJRAOT-LBPRGKRZSA-N 1 0 355.460 2.139 20 5 FEBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733979444 673447861 /nfs/dbraw/zinc/44/78/61/673447861.db2.gz SUROQDLQAWMLOV-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000597700947 673500502 /nfs/dbraw/zinc/50/05/02/673500502.db2.gz PGVNNJDAYWFMJQ-JSGCOSHPSA-N 1 0 367.471 2.388 20 5 FEBDRO C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000540347223 673535383 /nfs/dbraw/zinc/53/53/83/673535383.db2.gz BSXKZYBXVJKPHC-CQSZACIVSA-N 1 0 350.419 2.067 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000542520929 673588640 /nfs/dbraw/zinc/58/86/40/673588640.db2.gz IZRSGWZJUCRFAV-UHFFFAOYSA-N 1 0 367.881 2.497 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598604915 673588914 /nfs/dbraw/zinc/58/89/14/673588914.db2.gz CLBVNWATCSWIBN-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC2([NH2+]C)CCC2)c([N+](=O)[O-])c1 ZINC000598635228 673593042 /nfs/dbraw/zinc/59/30/42/673593042.db2.gz WKTFFDHCHYEHAA-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000598967478 673625649 /nfs/dbraw/zinc/62/56/49/673625649.db2.gz SIHQWQQRDAEPIO-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000599416733 673672926 /nfs/dbraw/zinc/67/29/26/673672926.db2.gz XOWRRHXDIPHXQS-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000599626574 673699225 /nfs/dbraw/zinc/69/92/25/673699225.db2.gz RYCNZJUOGHLYOY-RPHNGCRZSA-N 1 0 351.403 2.332 20 5 FEBDRO Cc1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000544596339 673719646 /nfs/dbraw/zinc/71/96/46/673719646.db2.gz VWNXFNZVDIPXCV-UHFFFAOYSA-N 1 0 355.441 2.232 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000544604195 673720456 /nfs/dbraw/zinc/72/04/56/673720456.db2.gz LAQGWOFTJXXGDZ-ZDUSSCGKSA-N 1 0 355.460 2.307 20 5 FEBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000544897570 673739334 /nfs/dbraw/zinc/73/93/34/673739334.db2.gz NESWADPSYCPUNW-OAHLLOKOSA-N 1 0 351.403 2.280 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2c(Cl)oc3ccccc32)c1 ZINC000600755231 673796710 /nfs/dbraw/zinc/79/67/10/673796710.db2.gz FVPIRZHSMHFKTG-NSHDSACASA-N 1 0 350.762 2.342 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2c[nH]c3c2cccc3Cl)c1 ZINC000600760615 673797262 /nfs/dbraw/zinc/79/72/62/673797262.db2.gz LZMMMQSWOSSWBE-ZDUSSCGKSA-N 1 0 363.805 2.119 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000601139500 673828293 /nfs/dbraw/zinc/82/82/93/673828293.db2.gz DEWACDSSWHDNTB-JGZJWPJOSA-N 1 0 362.167 2.060 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601292125 673838660 /nfs/dbraw/zinc/83/86/60/673838660.db2.gz SIRSWAWKNLVJKO-BETUJISGSA-N 1 0 353.394 2.353 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)cc1[N+](=O)[O-] ZINC000601341641 673845112 /nfs/dbraw/zinc/84/51/12/673845112.db2.gz HTEZFLJCUCPULX-UONOGXRCSA-N 1 0 371.434 2.338 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356303 673847195 /nfs/dbraw/zinc/84/71/95/673847195.db2.gz MVOSGGMSPLDDSJ-NWDGAFQWSA-N 1 0 359.423 2.146 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601414585 673858439 /nfs/dbraw/zinc/85/84/39/673858439.db2.gz BCUFDCKWEIININ-GXTWGEPZSA-N 1 0 371.434 2.290 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000601427489 673860308 /nfs/dbraw/zinc/86/03/08/673860308.db2.gz AQXFGMDBRXZYBO-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000601497396 673870790 /nfs/dbraw/zinc/87/07/90/673870790.db2.gz UQRLFFLDQNFNOI-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000601502583 673871822 /nfs/dbraw/zinc/87/18/22/673871822.db2.gz QXYYGXAVPUQKCP-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000547715994 673883454 /nfs/dbraw/zinc/88/34/54/673883454.db2.gz PQICDNWQTMXXQP-SNVBAGLBSA-N 1 0 361.851 2.319 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000746559916 673883930 /nfs/dbraw/zinc/88/39/30/673883930.db2.gz YXENASHHVNMAHE-PMPSAXMXSA-N 1 0 364.471 2.475 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(CN2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973947 673900490 /nfs/dbraw/zinc/90/04/90/673900490.db2.gz FPMWLPGNPWLNOZ-PHIMTYICSA-N 1 0 374.178 2.278 20 5 FEBDRO COCC[N@H+](C)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602511366 673907036 /nfs/dbraw/zinc/90/70/36/673907036.db2.gz QPNATZRSIAUSDK-UHFFFAOYSA-N 1 0 366.281 2.477 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000602519725 673907296 /nfs/dbraw/zinc/90/72/96/673907296.db2.gz IVUKQZHMGBNDKA-LALPHHSUSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@H](CN1CCOCC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602513199 673907313 /nfs/dbraw/zinc/90/73/13/673907313.db2.gz AODIMFZPVUBYGE-SECBINFHSA-N 1 0 364.265 2.229 20 5 FEBDRO COc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000602541880 673907587 /nfs/dbraw/zinc/90/75/87/673907587.db2.gz RTOKZYIPDGCHCQ-MWLCHTKSSA-N 1 0 361.320 2.203 20 5 FEBDRO COc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000602541865 673907653 /nfs/dbraw/zinc/90/76/53/673907653.db2.gz RITFLJLPXVMDHT-QWRGUYRKSA-N 1 0 361.320 2.203 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000602780398 673910814 /nfs/dbraw/zinc/91/08/14/673910814.db2.gz PGBVWSOSSAFHDM-INIZCTEOSA-N 1 0 352.435 2.150 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000602804402 673911332 /nfs/dbraw/zinc/91/13/32/673911332.db2.gz FIKIKLGZKCFIQW-ZDUSSCGKSA-N 1 0 369.219 2.185 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000602811659 673911418 /nfs/dbraw/zinc/91/14/18/673911418.db2.gz MUXBBVLYDWQGDQ-ZDUSSCGKSA-N 1 0 350.341 2.125 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602923827 673913847 /nfs/dbraw/zinc/91/38/47/673913847.db2.gz GOHTYVLPBBARON-HNNXBMFYSA-N 1 0 369.780 2.262 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000747373492 673924406 /nfs/dbraw/zinc/92/44/06/673924406.db2.gz FXHIYQWMRBZWEJ-KCXAZCMYSA-N 1 0 351.378 2.058 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747534095 673931958 /nfs/dbraw/zinc/93/19/58/673931958.db2.gz ZHECUPUNCJGKAE-UHFFFAOYSA-N 1 0 355.439 2.274 20 5 FEBDRO Nc1nccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000548711403 673988856 /nfs/dbraw/zinc/98/88/56/673988856.db2.gz KXFBKHDPSAFXAP-LBPRGKRZSA-N 1 0 361.427 2.200 20 5 FEBDRO C[C@H](CN1CC[NH+](C)CC1)N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000566801515 675243932 /nfs/dbraw/zinc/24/39/32/675243932.db2.gz UIQNHFIPBGONAK-DOMZBBRYSA-N 1 0 360.380 2.424 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCC[C@@H]2CCCCO2)cc1 ZINC000566851353 675247668 /nfs/dbraw/zinc/24/76/68/675247668.db2.gz DFWBUFJAIRDKMZ-HNNXBMFYSA-N 1 0 356.444 2.307 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000819110168 675261327 /nfs/dbraw/zinc/26/13/27/675261327.db2.gz ACGWQVPRWJDYGQ-QGZVFWFLSA-N 1 0 353.419 2.003 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000819274926 675276422 /nfs/dbraw/zinc/27/64/22/675276422.db2.gz OZVOMMFQFNLHJE-CQSZACIVSA-N 1 0 370.452 2.273 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CS(=O)(=O)C1 ZINC000615761625 676226550 /nfs/dbraw/zinc/22/65/50/676226550.db2.gz XKAFYVKEZPPFBI-ZDUSSCGKSA-N 1 0 358.485 2.490 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C1 ZINC000822673288 675499775 /nfs/dbraw/zinc/49/97/75/675499775.db2.gz NLSCVGLEXSMISO-NSHDSACASA-N 1 0 368.821 2.278 20 5 FEBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1(C)C ZINC000824087428 675583251 /nfs/dbraw/zinc/58/32/51/675583251.db2.gz RZWMWAZUERFADX-QWRGUYRKSA-N 1 0 371.235 2.211 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825797522 675669487 /nfs/dbraw/zinc/66/94/87/675669487.db2.gz YVPLDWZNFJCHQO-GFCCVEGCSA-N 1 0 352.410 2.404 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827289009 675745595 /nfs/dbraw/zinc/74/55/95/675745595.db2.gz PUKUNNBOAIMPFG-RYUDHWBXSA-N 1 0 355.341 2.362 20 5 FEBDRO C[NH+](C)[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)c1ccsc1 ZINC000603931863 675802311 /nfs/dbraw/zinc/80/23/11/675802311.db2.gz USMQMUDGKJTZCC-CYBMUJFWSA-N 1 0 370.456 2.019 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])CC1 ZINC000829243894 675871583 /nfs/dbraw/zinc/87/15/83/675871583.db2.gz MTOVYLALDRYKTL-NSHDSACASA-N 1 0 352.391 2.224 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000619479187 676379576 /nfs/dbraw/zinc/37/95/76/676379576.db2.gz CKLOKSLSVGOPHK-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000619484402 676380159 /nfs/dbraw/zinc/38/01/59/676380159.db2.gz STPKHHIAQJHHHC-AWEZNQCLSA-N 1 0 373.475 2.248 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000619496592 676381597 /nfs/dbraw/zinc/38/15/97/676381597.db2.gz UXWKENVMLXTEDI-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024335 677022363 /nfs/dbraw/zinc/02/23/63/677022363.db2.gz QWVNAMPAWSBYPC-QBPKDAKJSA-N 1 0 361.467 2.394 20 5 FEBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000830554440 677046884 /nfs/dbraw/zinc/04/68/84/677046884.db2.gz REPQCZHLHVUUPC-AWEZNQCLSA-N 1 0 373.196 2.076 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839581959 680763684 /nfs/dbraw/zinc/76/36/84/680763684.db2.gz WABGJOAAINTCCH-GHMZBOCLSA-N 1 0 356.220 2.362 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839592280 680764385 /nfs/dbraw/zinc/76/43/85/680764385.db2.gz QJKDOSAYYDPSKR-NSHDSACASA-N 1 0 368.821 2.035 20 5 FEBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000765798540 680855755 /nfs/dbraw/zinc/85/57/55/680855755.db2.gz RIZLRGFDBXWQPI-LBPRGKRZSA-N 1 0 361.427 2.346 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000748727837 679989903 /nfs/dbraw/zinc/98/99/03/679989903.db2.gz DHUHLKNEUQKOJI-LBPRGKRZSA-N 1 0 350.375 2.273 20 5 FEBDRO CCO[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000831694386 680026657 /nfs/dbraw/zinc/02/66/57/680026657.db2.gz GGQQLJBXAOCHBD-AWEZNQCLSA-N 1 0 357.838 2.264 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000749661665 680065085 /nfs/dbraw/zinc/06/50/85/680065085.db2.gz GWKSOCFTNSBSJH-VBQJREDUSA-N 1 0 351.447 2.106 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970931 680069217 /nfs/dbraw/zinc/06/92/17/680069217.db2.gz HOMJSWYRZACEBE-ZDUSSCGKSA-N 1 0 352.410 2.479 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc(C3CCCC3)n2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140761 680101024 /nfs/dbraw/zinc/10/10/24/680101024.db2.gz XZCXLLLOMNYMHA-QHSBEEBCSA-N 1 0 364.471 2.203 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063898 680193474 /nfs/dbraw/zinc/19/34/74/680193474.db2.gz NWPWWJYNVFMSCM-UTINFBMNSA-N 1 0 364.254 2.457 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CCO)c2cccs2)c1 ZINC000754380397 680352653 /nfs/dbraw/zinc/35/26/53/680352653.db2.gz CVKHOICIBOXCJZ-DZGCQCFKSA-N 1 0 352.412 2.109 20 5 FEBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642618 680436606 /nfs/dbraw/zinc/43/66/06/680436606.db2.gz FCPKQQRODPEINC-QHSBEEBCSA-N 1 0 364.471 2.203 20 5 FEBDRO C[N@H+](Cc1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430261 680447186 /nfs/dbraw/zinc/44/71/86/680447186.db2.gz CONKLJHKSVZXPH-GDBMZVCRSA-N 1 0 353.369 2.053 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCc1ccsc1 ZINC001039583176 680464193 /nfs/dbraw/zinc/46/41/93/680464193.db2.gz FYWBDDOIRJWZHD-YYIAUSFCSA-N 1 0 363.483 2.411 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789618 680508220 /nfs/dbraw/zinc/50/82/20/680508220.db2.gz WDERHBFCFJYNBW-HZPDHXFCSA-N 1 0 351.834 2.128 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1Cl ZINC000836790752 680514635 /nfs/dbraw/zinc/51/46/35/680514635.db2.gz KJVFPYTXHLUUGX-GFCCVEGCSA-N 1 0 355.822 2.133 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCC[NH+]1CCCCC1 ZINC000838093941 680672695 /nfs/dbraw/zinc/67/26/95/680672695.db2.gz AOQOTGXRYMHHMW-UHFFFAOYSA-N 1 0 353.350 2.335 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000841204540 680868928 /nfs/dbraw/zinc/86/89/28/680868928.db2.gz WCGLCVYSVOVMRO-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841892483 680916721 /nfs/dbraw/zinc/91/67/21/680916721.db2.gz ZPFRPHRSJPDWOO-RYUDHWBXSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1F ZINC000767637881 680919879 /nfs/dbraw/zinc/91/98/79/680919879.db2.gz OTDVDMPVZZCOIS-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000842850641 680971295 /nfs/dbraw/zinc/97/12/95/680971295.db2.gz WDXLKHLKQUXHEC-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000842871762 680972550 /nfs/dbraw/zinc/97/25/50/680972550.db2.gz GJMLBZNGXSMAHM-TXEJJXNPSA-N 1 0 373.862 2.177 20 5 FEBDRO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000843485312 681006331 /nfs/dbraw/zinc/00/63/31/681006331.db2.gz QGRHMPSNEACZAU-LLVKDONJSA-N 1 0 351.712 2.043 20 5 FEBDRO O=C(OCC[NH+]1CCCCC1)c1cc(Br)ncc1[N+](=O)[O-] ZINC000770409001 681015397 /nfs/dbraw/zinc/01/53/97/681015397.db2.gz VNKKQTMKIAEYPI-UHFFFAOYSA-N 1 0 358.192 2.395 20 5 FEBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000843819963 681020331 /nfs/dbraw/zinc/02/03/31/681020331.db2.gz HXELSRARYNYEIB-UHFFFAOYSA-N 1 0 353.394 2.007 20 5 FEBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912608798 685405426 /nfs/dbraw/zinc/40/54/26/685405426.db2.gz YMLNUTAXVQJJGW-UHFFFAOYSA-N 1 0 355.460 2.091 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc([N+](=O)[O-])c1F ZINC000846230992 681205425 /nfs/dbraw/zinc/20/54/25/681205425.db2.gz JFFDWWNPAIUWMX-ZWNOBZJWSA-N 1 0 359.423 2.180 20 5 FEBDRO C[C@H](NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])C(F)F ZINC000934037701 681499286 /nfs/dbraw/zinc/49/92/86/681499286.db2.gz OUDWEKNRIZIRSR-JTQLQIEISA-N 1 0 357.361 2.122 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000934077434 681505804 /nfs/dbraw/zinc/50/58/04/681505804.db2.gz DMFRFTVMMDRITH-OAHLLOKOSA-N 1 0 355.485 2.484 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000848376670 681532850 /nfs/dbraw/zinc/53/28/50/681532850.db2.gz GJCXFWLJVXLZFE-LBPRGKRZSA-N 1 0 357.838 2.379 20 5 FEBDRO CON(C)C(=O)[C@H](CCSC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848536904 681574128 /nfs/dbraw/zinc/57/41/28/681574128.db2.gz YCHAUAWNBRFNTP-KBPBESRZSA-N 1 0 353.444 2.313 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581889 681582840 /nfs/dbraw/zinc/58/28/40/681582840.db2.gz ZHPVXCZVXLANLJ-NWDGAFQWSA-N 1 0 355.341 2.309 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778265209 681590672 /nfs/dbraw/zinc/59/06/72/681590672.db2.gz UBXIAUGFXUVOKS-UHFFFAOYSA-N 1 0 351.432 2.259 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000778310783 681595921 /nfs/dbraw/zinc/59/59/21/681595921.db2.gz RWPOCZVOQAQWLT-UHFFFAOYSA-N 1 0 358.383 2.308 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778320210 681596918 /nfs/dbraw/zinc/59/69/18/681596918.db2.gz RRYWZGOHNYALOZ-NSHDSACASA-N 1 0 363.443 2.307 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000912921465 685466796 /nfs/dbraw/zinc/46/67/96/685466796.db2.gz DNAICMQEQCAMQM-AWEZNQCLSA-N 1 0 365.455 2.143 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000850455130 681903917 /nfs/dbraw/zinc/90/39/17/681903917.db2.gz VYPSTVRSFLRDSM-TZMCWYRMSA-N 1 0 352.387 2.176 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000783908726 682185485 /nfs/dbraw/zinc/18/54/85/682185485.db2.gz AHVMOLRMOZCVKI-GOEBONIOSA-N 1 0 366.801 2.311 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000917760705 685534506 /nfs/dbraw/zinc/53/45/06/685534506.db2.gz ITQQZQUFYHZADL-LLVKDONJSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000785761077 682324248 /nfs/dbraw/zinc/32/42/48/682324248.db2.gz WHLCYHLBJGGXQJ-LLVKDONJSA-N 1 0 352.391 2.448 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000788969947 682570976 /nfs/dbraw/zinc/57/09/76/682570976.db2.gz PINJHGWRHYNGDQ-UHFFFAOYSA-N 1 0 365.411 2.244 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791209255 682728767 /nfs/dbraw/zinc/72/87/67/682728767.db2.gz LMQLBQLJLBQWIV-LBPRGKRZSA-N 1 0 352.410 2.262 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000856428076 682780844 /nfs/dbraw/zinc/78/08/44/682780844.db2.gz NSBQFEIJVOODPU-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000857765901 682910739 /nfs/dbraw/zinc/91/07/39/682910739.db2.gz LPJHANCZVOQSMD-LEWSCRJBSA-N 1 0 355.341 2.152 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)c1 ZINC000858614842 682985275 /nfs/dbraw/zinc/98/52/75/682985275.db2.gz DTHLXUAUMHMOSG-LBPRGKRZSA-N 1 0 361.851 2.175 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000858620232 682986251 /nfs/dbraw/zinc/98/62/51/682986251.db2.gz UUNWXJOMECAJHK-ZDUSSCGKSA-N 1 0 359.835 2.120 20 5 FEBDRO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000926252937 683099206 /nfs/dbraw/zinc/09/92/06/683099206.db2.gz AFMDEVILAXQSRV-LNCBFAARSA-N 1 0 367.471 2.256 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000798466738 683353649 /nfs/dbraw/zinc/35/36/49/683353649.db2.gz RTTPEFIEMKWTNE-UHFFFAOYSA-N 1 0 359.473 2.153 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075502 683369839 /nfs/dbraw/zinc/36/98/39/683369839.db2.gz DFHYSMVIJBISSX-YLFCFFPRSA-N 1 0 361.467 2.394 20 5 FEBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928093758 683382440 /nfs/dbraw/zinc/38/24/40/683382440.db2.gz NNHJSTCXBSVQOR-ZFWWWQNUSA-N 1 0 365.455 2.060 20 5 FEBDRO CCOc1ccc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC000861341332 683391407 /nfs/dbraw/zinc/39/14/07/683391407.db2.gz PLVQEIQNWUMQNA-GUYCJALGSA-N 1 0 352.387 2.260 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928434152 683449919 /nfs/dbraw/zinc/44/99/19/683449919.db2.gz HMBSHPOGLRQQGT-NOZJJQNGSA-N 1 0 356.220 2.488 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862167248 683542496 /nfs/dbraw/zinc/54/24/96/683542496.db2.gz SINYYZGSGRWULH-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000862793324 683634789 /nfs/dbraw/zinc/63/47/89/683634789.db2.gz MTNVIYPHPUEKBV-GFCCVEGCSA-N 1 0 352.410 2.262 20 5 FEBDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000922455060 683726213 /nfs/dbraw/zinc/72/62/13/683726213.db2.gz BOOXPNOPSCLNDU-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865524704 683993352 /nfs/dbraw/zinc/99/33/52/683993352.db2.gz YNZSCKIVSIKBHU-OAHLLOKOSA-N 1 0 365.821 2.351 20 5 FEBDRO COc1cc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c([N+](=O)[O-])cc1OC ZINC000865674392 684013003 /nfs/dbraw/zinc/01/30/03/684013003.db2.gz LPRSDCXELAPFPH-GFCCVEGCSA-N 1 0 354.403 2.491 20 5 FEBDRO C[NH+]1CCC2(CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000866055614 684067105 /nfs/dbraw/zinc/06/71/05/684067105.db2.gz ZQWAINHTLHNKBD-UHFFFAOYSA-N 1 0 373.500 2.372 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866271474 684087361 /nfs/dbraw/zinc/08/73/61/684087361.db2.gz LUDODQZBGSXOPQ-NSHDSACASA-N 1 0 370.247 2.358 20 5 FEBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000866295430 684090039 /nfs/dbraw/zinc/09/00/39/684090039.db2.gz BSODXSUVSPEUNB-BXKDBHETSA-N 1 0 363.311 2.418 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827006 684162320 /nfs/dbraw/zinc/16/23/20/684162320.db2.gz GWNYJZWKMCPINS-NWDGAFQWSA-N 1 0 359.835 2.072 20 5 FEBDRO C[NH+]1C[C@@]2(C)CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000931309610 684258781 /nfs/dbraw/zinc/25/87/81/684258781.db2.gz DVPIUYYAGSAVSW-IRXDYDNUSA-N 1 0 366.849 2.460 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000932033494 684396214 /nfs/dbraw/zinc/39/62/14/684396214.db2.gz BIKWKTLOZOMAIS-CQSZACIVSA-N 1 0 367.471 2.500 20 5 FEBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000869784369 684655905 /nfs/dbraw/zinc/65/59/05/684655905.db2.gz JKMYTPXTPFPNMJ-LBPRGKRZSA-N 1 0 363.439 2.385 20 5 FEBDRO COc1ccc(OCCN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000872151246 684922915 /nfs/dbraw/zinc/92/29/15/684922915.db2.gz JZDGGXNKYFNGTA-PWSUYJOCSA-N 1 0 363.336 2.051 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000872662239 684999919 /nfs/dbraw/zinc/99/99/19/684999919.db2.gz HAPVKSVRJBFFGF-KBPBESRZSA-N 1 0 353.444 2.069 20 5 FEBDRO Cc1c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)cccc1[N+](=O)[O-] ZINC000873133901 685078858 /nfs/dbraw/zinc/07/88/58/685078858.db2.gz LCPPACOCXSVHNV-AWEZNQCLSA-N 1 0 362.407 2.228 20 5 FEBDRO CN(C[C@H]1CCCN1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000876794056 686269848 /nfs/dbraw/zinc/26/98/48/686269848.db2.gz LGEPBKMSLYAETG-CYBMUJFWSA-N 1 0 353.423 2.160 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CCC1(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000876864091 686284397 /nfs/dbraw/zinc/28/43/97/686284397.db2.gz KBARDJXZXIXSLO-VIFPVBQESA-N 1 0 364.146 2.084 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cn1 ZINC000877086492 686324131 /nfs/dbraw/zinc/32/41/31/686324131.db2.gz OMVFGAHXOPOKHA-CQSZACIVSA-N 1 0 354.501 2.397 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877277096 686347440 /nfs/dbraw/zinc/34/74/40/686347440.db2.gz FCSOTWOWFZYXPY-KBPBESRZSA-N 1 0 368.231 2.253 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000877280836 686347710 /nfs/dbraw/zinc/34/77/10/686347710.db2.gz JGHWFWVZALTLLV-KGLIPLIRSA-N 1 0 365.455 2.190 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879575507 686860720 /nfs/dbraw/zinc/86/07/20/686860720.db2.gz LCHOTKKFNVWXCM-FZMZJTMJSA-N 1 0 352.822 2.213 20 5 FEBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879707877 686892064 /nfs/dbraw/zinc/89/20/64/686892064.db2.gz IAKHPNLJULGHDX-UHFFFAOYSA-N 1 0 354.403 2.110 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000882539945 687389130 /nfs/dbraw/zinc/38/91/30/687389130.db2.gz GTTMLFAJQNRZSD-GFCCVEGCSA-N 1 0 353.394 2.432 20 5 FEBDRO COc1cc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000882725907 687457462 /nfs/dbraw/zinc/45/74/62/687457462.db2.gz DXTIAKFFIRZTQX-CYBMUJFWSA-N 1 0 353.394 2.480 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)n1 ZINC000883361579 687613832 /nfs/dbraw/zinc/61/38/32/687613832.db2.gz HCJSUDMWULHERE-BBBLOLIVSA-N 1 0 372.294 2.423 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884949575 687971610 /nfs/dbraw/zinc/97/16/10/687971610.db2.gz GTLNJZVOMGSCPG-KBPBESRZSA-N 1 0 353.444 2.062 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000884951544 687972587 /nfs/dbraw/zinc/97/25/87/687972587.db2.gz FUBPLRLGNDKAEF-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000886798623 688314048 /nfs/dbraw/zinc/31/40/48/688314048.db2.gz DYVNCPWCMZYUAG-CQSZACIVSA-N 1 0 364.320 2.229 20 5 FEBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000886890467 688333913 /nfs/dbraw/zinc/33/39/13/688333913.db2.gz JNYOOLLJWWJESP-VIFPVBQESA-N 1 0 368.242 2.274 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000886902108 688337440 /nfs/dbraw/zinc/33/74/40/688337440.db2.gz FQQUJFMKTCRWGU-CQSZACIVSA-N 1 0 359.473 2.119 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887933171 688522938 /nfs/dbraw/zinc/52/29/38/688522938.db2.gz GKLFRRYZLBYRBQ-PXAZEXFGSA-N 1 0 367.833 2.427 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892080270 689147684 /nfs/dbraw/zinc/14/76/84/689147684.db2.gz WGGCZDWFDNKGNV-BXKDBHETSA-N 1 0 371.235 2.155 20 5 FEBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[NH+]2CCC1CC2 ZINC000892778030 689242472 /nfs/dbraw/zinc/24/24/72/689242472.db2.gz MGBYFNWOVLSJGF-INIZCTEOSA-N 1 0 355.341 2.410 20 5 FEBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000893535873 689363017 /nfs/dbraw/zinc/36/30/17/689363017.db2.gz QQNOJQBIYHDRRP-CYBMUJFWSA-N 1 0 352.387 2.284 20 5 FEBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)O2 ZINC000895819896 689775665 /nfs/dbraw/zinc/77/56/65/689775665.db2.gz LKSLTACWRFERFD-ONVWFFPZSA-N 1 0 350.419 2.057 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CCO[C@@H]2CCOC2)cc1Br ZINC000897202727 689987624 /nfs/dbraw/zinc/98/76/24/689987624.db2.gz XCEJGIOOQKTQFU-MRVPVSSYSA-N 1 0 351.222 2.314 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CCO[C@H]2CCOC2)cc1Br ZINC000897202728 689987731 /nfs/dbraw/zinc/98/77/31/689987731.db2.gz XCEJGIOOQKTQFU-QMMMGPOBSA-N 1 0 351.222 2.314 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218242 689989511 /nfs/dbraw/zinc/98/95/11/689989511.db2.gz BPFFYISQCWYHAQ-CHWSQXEVSA-N 1 0 360.336 2.044 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(OC(F)F)c1 ZINC000897221367 689990324 /nfs/dbraw/zinc/99/03/24/689990324.db2.gz LYOBDLSJHQVSKL-QWHCGFSZSA-N 1 0 357.357 2.232 20 5 FEBDRO C[NH+]1CCC(NCc2cn(Cc3ccc(Cl)cc3[N+](=O)[O-])nn2)CC1 ZINC000900536536 690529823 /nfs/dbraw/zinc/52/98/23/690529823.db2.gz KSWYUVKHUDBHQP-UHFFFAOYSA-N 1 0 364.837 2.072 20 5 FEBDRO C[NH2+]C(C)(C)c1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900641413 690542347 /nfs/dbraw/zinc/54/23/47/690542347.db2.gz SOOHHEGTYODKNJ-UHFFFAOYSA-N 1 0 354.208 2.452 20 5 FEBDRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000903484662 690898543 /nfs/dbraw/zinc/89/85/43/690898543.db2.gz USJICCLCAHRWQW-AWEZNQCLSA-N 1 0 352.822 2.451 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)C1(C[NH3+])CCOCC1 ZINC000903809508 690974833 /nfs/dbraw/zinc/97/48/33/690974833.db2.gz AZVLPIMWDLTSIY-UHFFFAOYSA-N 1 0 358.236 2.297 20 5 FEBDRO COc1cc(CN2C[C@H]([NH3+])C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000903986166 690992478 /nfs/dbraw/zinc/99/24/78/690992478.db2.gz HDHYDTDQWGKHKJ-AWEZNQCLSA-N 1 0 359.373 2.416 20 5 FEBDRO C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000905428809 691117478 /nfs/dbraw/zinc/11/74/78/691117478.db2.gz WPQQMAOQUQXHCU-ZFWWWQNUSA-N 1 0 373.247 2.359 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1F ZINC000906442279 691269029 /nfs/dbraw/zinc/26/90/29/691269029.db2.gz ZEVRMNKYRJZKDA-CYBMUJFWSA-N 1 0 351.378 2.025 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000907649112 691532589 /nfs/dbraw/zinc/53/25/89/691532589.db2.gz CRHSGOIECFVTLZ-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000908503989 691690823 /nfs/dbraw/zinc/69/08/23/691690823.db2.gz RTXXSDKDDHRMOL-JTQLQIEISA-N 1 0 352.822 2.387 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000908609052 691704559 /nfs/dbraw/zinc/70/45/59/691704559.db2.gz PFRCXDNJCOORPF-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(F)c1 ZINC001164865827 721073432 /nfs/dbraw/zinc/07/34/32/721073432.db2.gz AICZNBOWOJKWOE-HOTGVXAUSA-N 1 0 373.388 2.004 20 5 FEBDRO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)c1[N+](=O)[O-] ZINC001164928497 721857211 /nfs/dbraw/zinc/85/72/11/721857211.db2.gz NROMMKSTRACTFK-CHWSQXEVSA-N 1 0 353.854 2.166 20 5 FEBDRO CC[NH+](CC)C1CCN(c2nc(Cl)nc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC001165052708 722001395 /nfs/dbraw/zinc/00/13/95/722001395.db2.gz CXJFNOUXJKAOLD-UHFFFAOYSA-N 1 0 371.825 2.135 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000800309298 674040456 /nfs/dbraw/zinc/04/04/56/674040456.db2.gz KLDRYRZFXNPBDR-ZWNOBZJWSA-N 1 0 361.851 2.056 20 5 FEBDRO CC[NH+](CC)CC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000549515121 674045432 /nfs/dbraw/zinc/04/54/32/674045432.db2.gz ADCNCULXRGMXET-UHFFFAOYSA-N 1 0 351.451 2.107 20 5 FEBDRO C[NH+](C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccc(Cl)cc1 ZINC000549615265 674053889 /nfs/dbraw/zinc/05/38/89/674053889.db2.gz ALZRLFAOVPJFJY-CQSZACIVSA-N 1 0 363.805 2.258 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000021891401 539689090 /nfs/dbraw/zinc/68/90/90/539689090.db2.gz XULCHDLYKFBSIY-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO NC(=O)c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000028620867 539833920 /nfs/dbraw/zinc/83/39/20/539833920.db2.gz NQPOIHXRJKNOSR-UHFFFAOYSA-N 1 0 354.410 2.058 20 5 FEBDRO CCC(CC)[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000029873778 539866846 /nfs/dbraw/zinc/86/68/46/539866846.db2.gz KOSBUMFVQQSFGI-HNNXBMFYSA-N 1 0 358.464 2.021 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032441181 539939530 /nfs/dbraw/zinc/93/95/30/539939530.db2.gz AXNHIQRLIYIYAY-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000032732901 539950127 /nfs/dbraw/zinc/95/01/27/539950127.db2.gz GWLQCMAXZSSDMS-STQMWFEESA-N 1 0 363.414 2.359 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032927047 539959429 /nfs/dbraw/zinc/95/94/29/539959429.db2.gz CTWISNSQDNROGM-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000043008581 540086160 /nfs/dbraw/zinc/08/61/60/540086160.db2.gz JBXYFQIHWZTTMD-UHFFFAOYSA-N 1 0 363.414 2.185 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC)CC2)cc1OC ZINC000044019689 540117703 /nfs/dbraw/zinc/11/77/03/540117703.db2.gz HKZOZLJSWUCUSU-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044667893 540135721 /nfs/dbraw/zinc/13/57/21/540135721.db2.gz PDKPWHSKOHGABN-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045262841 540208153 /nfs/dbraw/zinc/20/81/53/540208153.db2.gz BIEOTVURFDSOGS-AWEZNQCLSA-N 1 0 365.393 2.475 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000045083918 540203294 /nfs/dbraw/zinc/20/32/94/540203294.db2.gz NTVXZSLAKQJVMO-UHFFFAOYSA-N 1 0 361.398 2.082 20 5 FEBDRO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)c1 ZINC000046476215 540259285 /nfs/dbraw/zinc/25/92/85/540259285.db2.gz ZXUWNUAMDNFLMW-UHFFFAOYSA-N 1 0 371.441 2.173 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000046879092 540274743 /nfs/dbraw/zinc/27/47/43/540274743.db2.gz NITNVJQTMLCXCW-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000049969131 540395280 /nfs/dbraw/zinc/39/52/80/540395280.db2.gz YVJPFGRGFAIZIC-CQSZACIVSA-N 1 0 364.446 2.204 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000535593123 540487227 /nfs/dbraw/zinc/48/72/27/540487227.db2.gz ZTBRNHRSFSCQDG-INIZCTEOSA-N 1 0 369.425 2.409 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)NCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000054047518 540566708 /nfs/dbraw/zinc/56/67/08/540566708.db2.gz NFNAHMNDMKDOFM-UHFFFAOYSA-N 1 0 363.462 2.428 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000055240507 540639273 /nfs/dbraw/zinc/63/92/73/540639273.db2.gz SJECJCAAXNQLJZ-RYUDHWBXSA-N 1 0 359.423 2.133 20 5 FEBDRO Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000055279157 540643017 /nfs/dbraw/zinc/64/30/17/540643017.db2.gz UYGOROVRSTZRTD-UHFFFAOYSA-N 1 0 367.427 2.249 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000055298098 540645042 /nfs/dbraw/zinc/64/50/42/540645042.db2.gz PCXXVYNUBOWUNG-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000057042741 540764720 /nfs/dbraw/zinc/76/47/20/540764720.db2.gz UDKYRFURCMSDSL-HNNXBMFYSA-N 1 0 363.462 2.428 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000061510061 541131612 /nfs/dbraw/zinc/13/16/12/541131612.db2.gz ULMZQWMKUJNNIM-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000061647652 541136334 /nfs/dbraw/zinc/13/63/34/541136334.db2.gz RBHOSDFSDHHBGW-UHFFFAOYSA-N 1 0 353.444 2.231 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066601658 541344777 /nfs/dbraw/zinc/34/47/77/541344777.db2.gz JSRCRPLNKWTMQJ-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCC(C)CC1 ZINC000066633864 541350594 /nfs/dbraw/zinc/35/05/94/541350594.db2.gz GJSTZPOMYJCVGX-ZDUSSCGKSA-N 1 0 363.414 2.216 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+]1CCCCC1 ZINC000066627539 541349893 /nfs/dbraw/zinc/34/98/93/541349893.db2.gz GCLBETQKWFZACU-CYBMUJFWSA-N 1 0 363.414 2.218 20 5 FEBDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000066675961 541358935 /nfs/dbraw/zinc/35/89/35/541358935.db2.gz XPVQVGFQJLSCFC-UHFFFAOYSA-N 1 0 371.441 2.162 20 5 FEBDRO CC1(C)CC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC(C)(C)[NH2+]1 ZINC000067134660 541421935 /nfs/dbraw/zinc/42/19/35/541421935.db2.gz RRIWVGOLPKWFGV-UHFFFAOYSA-N 1 0 372.429 2.215 20 5 FEBDRO CC[NH+]1CCC(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000067233448 541434910 /nfs/dbraw/zinc/43/49/10/541434910.db2.gz YTWFPYSXUMQRDZ-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO CC(=O)NC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067419448 541461533 /nfs/dbraw/zinc/46/15/33/541461533.db2.gz RVULXIDQLBUSIO-OAHLLOKOSA-N 1 0 362.430 2.080 20 5 FEBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067419441 541461663 /nfs/dbraw/zinc/46/16/63/541461663.db2.gz BKPDHZAYKWEMKB-HNNXBMFYSA-N 1 0 362.430 2.080 20 5 FEBDRO C[NH+](C)CCOc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000068130574 541553524 /nfs/dbraw/zinc/55/35/24/541553524.db2.gz POHPAEKMUPBJJN-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068305687 541574693 /nfs/dbraw/zinc/57/46/93/541574693.db2.gz ZDBBKRQHAWMABM-ZIAGYGMSSA-N 1 0 363.414 2.023 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000068391026 541585739 /nfs/dbraw/zinc/58/57/39/541585739.db2.gz PLLFPRLIAVEXTL-LLVKDONJSA-N 1 0 351.432 2.365 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000068903250 541639306 /nfs/dbraw/zinc/63/93/06/541639306.db2.gz TVLGQUPAXHNQNA-UHFFFAOYSA-N 1 0 371.459 2.146 20 5 FEBDRO CC1CC[NH+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069074804 541654397 /nfs/dbraw/zinc/65/43/97/541654397.db2.gz MMFLUXZQPNLJJR-UHFFFAOYSA-N 1 0 350.419 2.005 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069124929 541660565 /nfs/dbraw/zinc/66/05/65/541660565.db2.gz NMISMYUEVOGLSM-CQSZACIVSA-N 1 0 353.444 2.234 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000069554655 541696640 /nfs/dbraw/zinc/69/66/40/541696640.db2.gz ZNNSQCCCCMWZBZ-OAHLLOKOSA-N 1 0 374.441 2.447 20 5 FEBDRO C[NH+](C)CCOc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000071963742 541776973 /nfs/dbraw/zinc/77/69/73/541776973.db2.gz SFESSKGAENPBOY-UHFFFAOYSA-N 1 0 373.409 2.230 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+](C(C)C)C(C)C ZINC000072717178 541856567 /nfs/dbraw/zinc/85/65/67/541856567.db2.gz BNDNXUWFVFURFZ-UHFFFAOYSA-N 1 0 373.475 2.391 20 5 FEBDRO O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072720110 541857695 /nfs/dbraw/zinc/85/76/95/541857695.db2.gz OGRYNDUUGUAYRR-INIZCTEOSA-N 1 0 372.469 2.292 20 5 FEBDRO CCOC(=O)c1ccnc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772710 542120439 /nfs/dbraw/zinc/12/04/39/542120439.db2.gz WNKZGHAFEFCLTR-AWEZNQCLSA-N 1 0 362.430 2.335 20 5 FEBDRO Cc1c(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000076331504 542261331 /nfs/dbraw/zinc/26/13/31/542261331.db2.gz CQZVETOJILLZOM-CQSZACIVSA-N 1 0 350.419 2.262 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000076334272 542262559 /nfs/dbraw/zinc/26/25/59/542262559.db2.gz XKJQIZMSNCLDCI-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479317 542283040 /nfs/dbraw/zinc/28/30/40/542283040.db2.gz BMVSWHCTVYKWQN-TZMCWYRMSA-N 1 0 365.430 2.414 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000076639272 542303290 /nfs/dbraw/zinc/30/32/90/542303290.db2.gz NGMRLAFYGLMGEX-OAHLLOKOSA-N 1 0 374.441 2.222 20 5 FEBDRO CCN1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000077249345 542359546 /nfs/dbraw/zinc/35/95/46/542359546.db2.gz UMXVIMRJAPFCRH-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000077451416 542383268 /nfs/dbraw/zinc/38/32/68/542383268.db2.gz UYXHMYRFWVTIHW-INIZCTEOSA-N 1 0 360.458 2.003 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000078870698 542485275 /nfs/dbraw/zinc/48/52/75/542485275.db2.gz IEUOEGMSQDXSFW-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081293947 542645653 /nfs/dbraw/zinc/64/56/53/542645653.db2.gz YDFKSFXJTILSOX-MRXNPFEDSA-N 1 0 360.458 2.412 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCn1cnnc1C1CC1 ZINC000090033828 542781062 /nfs/dbraw/zinc/78/10/62/542781062.db2.gz FCHKBBWYHNFEAT-LBPRGKRZSA-N 1 0 358.402 2.071 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089961940 542778959 /nfs/dbraw/zinc/77/89/59/542778959.db2.gz WPNLFAFDOPXAGE-QZTJIDSGSA-N 1 0 369.421 2.268 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C)c1 ZINC000092655500 542878208 /nfs/dbraw/zinc/87/82/08/542878208.db2.gz AODBNRQUPHCPAF-SECBINFHSA-N 1 0 367.406 2.489 20 5 FEBDRO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000092652745 542878468 /nfs/dbraw/zinc/87/84/68/542878468.db2.gz IHQNMTJNGUTFRH-UHFFFAOYSA-N 1 0 357.414 2.108 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000092980290 542899588 /nfs/dbraw/zinc/89/95/88/542899588.db2.gz XINDIUGYNJPZGG-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093001788 542900779 /nfs/dbraw/zinc/90/07/79/542900779.db2.gz NLYWUUBAKWSAFW-TZMCWYRMSA-N 1 0 373.450 2.393 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000097213299 543007603 /nfs/dbraw/zinc/00/76/03/543007603.db2.gz TURHYIMNSIVYEH-UHFFFAOYSA-N 1 0 353.444 2.001 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000098098376 543021054 /nfs/dbraw/zinc/02/10/54/543021054.db2.gz FWYUVLUMGDBCFQ-HNNXBMFYSA-N 1 0 357.414 2.031 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cnn(C)c1 ZINC000103474449 543109816 /nfs/dbraw/zinc/10/98/16/543109816.db2.gz BIYQYMHIWCAPFX-UHFFFAOYSA-N 1 0 361.402 2.188 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000104733268 543140448 /nfs/dbraw/zinc/14/04/48/543140448.db2.gz SEGKNEZYTJSKGV-AWEZNQCLSA-N 1 0 355.460 2.446 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000106804234 543248469 /nfs/dbraw/zinc/24/84/69/543248469.db2.gz FVZPVGFWFSEYSR-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000106804271 543248475 /nfs/dbraw/zinc/24/84/75/543248475.db2.gz QUDKYTMIYGXJPX-CQSZACIVSA-N 1 0 366.849 2.100 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000109389892 543323626 /nfs/dbraw/zinc/32/36/26/543323626.db2.gz OJJUOIPNFOBOAX-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109987662 543345889 /nfs/dbraw/zinc/34/58/89/543345889.db2.gz FHNNUZCXAQINJC-CYBMUJFWSA-N 1 0 372.425 2.287 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112917562 543468035 /nfs/dbraw/zinc/46/80/35/543468035.db2.gz ZLGZFNOIOZVIKM-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112921382 543468742 /nfs/dbraw/zinc/46/87/42/543468742.db2.gz FPGZBNWYTRHWTM-UHFFFAOYSA-N 1 0 373.457 2.174 20 5 FEBDRO COC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989174 543471207 /nfs/dbraw/zinc/47/12/07/543471207.db2.gz NMSRRPGRTMQIOC-CYBMUJFWSA-N 1 0 351.403 2.290 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113198866 543476666 /nfs/dbraw/zinc/47/66/66/543476666.db2.gz WINARWXCJPFDOL-HNNXBMFYSA-N 1 0 363.414 2.167 20 5 FEBDRO Cc1c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000114377240 543512143 /nfs/dbraw/zinc/51/21/43/543512143.db2.gz ZRKYKUOHGUCFRL-INIZCTEOSA-N 1 0 374.445 2.190 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114062585 543503526 /nfs/dbraw/zinc/50/35/26/543503526.db2.gz JAXNYBRGLSBLSI-ZJUUUORDSA-N 1 0 357.794 2.316 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000114641601 543527047 /nfs/dbraw/zinc/52/70/47/543527047.db2.gz OOXKRJRRYWUGNU-OAHLLOKOSA-N 1 0 357.414 2.031 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000115439339 543567262 /nfs/dbraw/zinc/56/72/62/543567262.db2.gz DAXAFSFTSLENQM-ZDUSSCGKSA-N 1 0 365.430 2.416 20 5 FEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c(C)c2)CC1 ZINC000116447924 543608423 /nfs/dbraw/zinc/60/84/23/543608423.db2.gz FDBZUMLZDZHBIN-UHFFFAOYSA-N 1 0 372.429 2.329 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000119339788 543666477 /nfs/dbraw/zinc/66/64/77/543666477.db2.gz SRFIEYBKSRBUDC-CYBMUJFWSA-N 1 0 356.220 2.427 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000123072496 543740515 /nfs/dbraw/zinc/74/05/15/543740515.db2.gz UKKABJXXFUBCDV-UHFFFAOYSA-N 1 0 357.370 2.353 20 5 FEBDRO COc1cccc([C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000124624250 543833101 /nfs/dbraw/zinc/83/31/01/543833101.db2.gz SERRPBMQYCHNBT-HNNXBMFYSA-N 1 0 359.386 2.423 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124703636 543838114 /nfs/dbraw/zinc/83/81/14/543838114.db2.gz SIYKVMAPYMZNEO-LLVKDONJSA-N 1 0 370.247 2.358 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124835665 543845842 /nfs/dbraw/zinc/84/58/42/543845842.db2.gz NSPPFZGCSXWWBA-GFCCVEGCSA-N 1 0 361.489 2.317 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000125764565 543899802 /nfs/dbraw/zinc/89/98/02/543899802.db2.gz AYCPUNVUCQNNFC-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000127263655 543981727 /nfs/dbraw/zinc/98/17/27/543981727.db2.gz XGDRYBIUQQOPJH-JKSUJKDBSA-N 1 0 360.458 2.269 20 5 FEBDRO CC[NH+](CC)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)CC(C)C ZINC000127662197 544006632 /nfs/dbraw/zinc/00/66/32/544006632.db2.gz HUSOUZCQHBBSJD-CQSZACIVSA-N 1 0 372.491 2.411 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)Cc1ccccc1 ZINC000128689645 544067226 /nfs/dbraw/zinc/06/72/26/544067226.db2.gz VZLQECUAHWXGRI-INIZCTEOSA-N 1 0 373.457 2.320 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCc2ccccc2[C@H]1CO ZINC000130709526 544162011 /nfs/dbraw/zinc/16/20/11/544162011.db2.gz JDRJYZLPTDKFFI-QGZVFWFLSA-N 1 0 355.394 2.433 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000131244206 544182037 /nfs/dbraw/zinc/18/20/37/544182037.db2.gz FZYNZUVFUALODB-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000131604409 544197903 /nfs/dbraw/zinc/19/79/03/544197903.db2.gz OMSRCZVJUVBKRO-ZDUSSCGKSA-N 1 0 367.471 2.283 20 5 FEBDRO COc1ccc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000105686548 222373685 /nfs/dbraw/zinc/37/36/85/222373685.db2.gz DKRKJYRNINTIRC-UHFFFAOYSA-N 1 0 371.459 2.097 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000109854229 222473720 /nfs/dbraw/zinc/47/37/20/222473720.db2.gz NXFTYLJWLDGLNU-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000131814181 544207633 /nfs/dbraw/zinc/20/76/33/544207633.db2.gz BNYKJHUUWVMWNU-AWEZNQCLSA-N 1 0 371.441 2.373 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc2sccn21 ZINC000132980455 544250950 /nfs/dbraw/zinc/25/09/50/544250950.db2.gz GFDCDHNBZPWZPX-STQMWFEESA-N 1 0 365.459 2.484 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)(C)C ZINC000134434995 544307842 /nfs/dbraw/zinc/30/78/42/544307842.db2.gz LYDHUYWJTKWZMV-HNNXBMFYSA-N 1 0 351.403 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000137175229 544386055 /nfs/dbraw/zinc/38/60/55/544386055.db2.gz LANZJOJLOAYTCQ-CJNGLKHVSA-N 1 0 362.430 2.229 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502372 544391024 /nfs/dbraw/zinc/39/10/24/544391024.db2.gz CPHDPUYWFPKIOT-SWLSCSKDSA-N 1 0 357.414 2.030 20 5 FEBDRO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1Cc2ccccc2C1 ZINC000141221463 544412076 /nfs/dbraw/zinc/41/20/76/544412076.db2.gz KFAACVKAQIRWPY-UHFFFAOYSA-N 1 0 369.377 2.361 20 5 FEBDRO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000151637453 544565249 /nfs/dbraw/zinc/56/52/49/544565249.db2.gz IRQOBJQMCKRPFR-CQSZACIVSA-N 1 0 366.849 2.299 20 5 FEBDRO Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000153848791 544831399 /nfs/dbraw/zinc/83/13/99/544831399.db2.gz CUPOFELTEZACAP-HNNXBMFYSA-N 1 0 350.419 2.262 20 5 FEBDRO CN1CCO[C@@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C[C@@H]21 ZINC000154364685 544896395 /nfs/dbraw/zinc/89/63/95/544896395.db2.gz JUNFLMRZOIKUHH-PKOBYXMFSA-N 1 0 350.418 2.461 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192558 545000473 /nfs/dbraw/zinc/00/04/73/545000473.db2.gz UOYMCNAVWKVTSB-DOMZBBRYSA-N 1 0 362.386 2.368 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000184883369 327887372 /nfs/dbraw/zinc/88/73/72/327887372.db2.gz NFUHNYKOSOSXLN-AEFFLSMTSA-N 1 0 363.458 2.127 20 5 FEBDRO Cc1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000804447025 674287676 /nfs/dbraw/zinc/28/76/76/674287676.db2.gz VEUWIMBTJZLSIF-NSHDSACASA-N 1 0 357.252 2.323 20 5 FEBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]12 ZINC000186943957 327992330 /nfs/dbraw/zinc/99/23/30/327992330.db2.gz YGHPENXCZXHXHG-WQHBLYJGSA-N 1 0 354.204 2.167 20 5 FEBDRO C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000187628030 328036650 /nfs/dbraw/zinc/03/66/50/328036650.db2.gz XAFVXYIZXUSSHW-KGLIPLIRSA-N 1 0 364.446 2.142 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188079744 328064493 /nfs/dbraw/zinc/06/44/93/328064493.db2.gz ZMZOTXQHFZVCAS-FQEVSTJZSA-N 1 0 369.421 2.304 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188825546 328112883 /nfs/dbraw/zinc/11/28/83/328112883.db2.gz HZIUQRHSGCBHCK-CYBMUJFWSA-N 1 0 350.419 2.212 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188840253 328113482 /nfs/dbraw/zinc/11/34/82/328113482.db2.gz BBPJEJWOBOLLAV-UHFFFAOYSA-N 1 0 365.455 2.143 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000189112422 328129254 /nfs/dbraw/zinc/12/92/54/328129254.db2.gz ZJWQOCIUHPFCML-MRXNPFEDSA-N 1 0 357.476 2.381 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000189150923 328131526 /nfs/dbraw/zinc/13/15/26/328131526.db2.gz NQVMFRPRYYQSMP-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000190001158 328181706 /nfs/dbraw/zinc/18/17/06/328181706.db2.gz LBVZUJSAGGGGCV-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190153658 328191103 /nfs/dbraw/zinc/19/11/03/328191103.db2.gz GMNBUCKAKCMLRA-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1CCO ZINC000190248366 328196438 /nfs/dbraw/zinc/19/64/38/328196438.db2.gz YSLOGYLIJINIQC-ZDUSSCGKSA-N 1 0 362.455 2.217 20 5 FEBDRO CCC[C@H]([NH2+]CC1CN(S(=O)(=O)CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000190693162 328225590 /nfs/dbraw/zinc/22/55/90/328225590.db2.gz YZKPBUYHBOBXMG-INIZCTEOSA-N 1 0 355.460 2.307 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192114684 328300501 /nfs/dbraw/zinc/30/05/01/328300501.db2.gz JITAUASAXZYUCA-RDJZCZTQSA-N 1 0 365.336 2.155 20 5 FEBDRO CC(C)[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCOCC1 ZINC000192940074 328347994 /nfs/dbraw/zinc/34/79/94/328347994.db2.gz TVZCCSLCIPYFNQ-QZTJIDSGSA-N 1 0 361.442 2.445 20 5 FEBDRO Cn1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000193010089 328351865 /nfs/dbraw/zinc/35/18/65/328351865.db2.gz SLSCDUZKBKWCHY-DLBZAZTESA-N 1 0 369.425 2.491 20 5 FEBDRO C[NH+](C)CCNC(=O)c1cccc(CNc2cc(N)ccc2[N+](=O)[O-])c1 ZINC000193407550 328373595 /nfs/dbraw/zinc/37/35/95/328373595.db2.gz HCYSYWWUYLYIIG-UHFFFAOYSA-N 1 0 357.414 2.081 20 5 FEBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000193594477 328384285 /nfs/dbraw/zinc/38/42/85/328384285.db2.gz JBBKGQRYVCUQMB-ZANVPECISA-N 1 0 356.220 2.157 20 5 FEBDRO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])C1 ZINC000195263311 328465957 /nfs/dbraw/zinc/46/59/57/328465957.db2.gz GJBODWDRGRWWGT-SRABZTEZSA-N 1 0 372.469 2.369 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236567703 328489262 /nfs/dbraw/zinc/48/92/62/328489262.db2.gz MOWNGFYQYOYTCR-FOSCPWQOSA-N 1 0 368.231 2.299 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000077667173 325003500 /nfs/dbraw/zinc/00/35/00/325003500.db2.gz WNIGOEAKWMDNER-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Nc1c(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000081293442 325168586 /nfs/dbraw/zinc/16/85/86/325168586.db2.gz LBHACNIKYDJODH-ZDUSSCGKSA-N 1 0 350.394 2.310 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000081997468 325206503 /nfs/dbraw/zinc/20/65/03/325206503.db2.gz YQTRIBCVMNVMKU-UHFFFAOYSA-N 1 0 353.394 2.353 20 5 FEBDRO COc1ccc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083027189 325210370 /nfs/dbraw/zinc/21/03/70/325210370.db2.gz LGDSVSVYXZWSQT-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154417 325305142 /nfs/dbraw/zinc/30/51/42/325305142.db2.gz NINWKMUSUKMGOZ-IRXDYDNUSA-N 1 0 363.414 2.112 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](C[NH+]4CCOCC4)C3)co2)cc1 ZINC000089905657 325341466 /nfs/dbraw/zinc/34/14/66/325341466.db2.gz VCQOBTDHGCNRPO-OAHLLOKOSA-N 1 0 372.425 2.404 20 5 FEBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000109089632 325658353 /nfs/dbraw/zinc/65/83/53/325658353.db2.gz UOOFSRWHJLAJJX-UHFFFAOYSA-N 1 0 372.429 2.168 20 5 FEBDRO Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000113989127 325867732 /nfs/dbraw/zinc/86/77/32/325867732.db2.gz DUSSQHHMJJGMRV-UHFFFAOYSA-N 1 0 370.409 2.333 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119468689 326166108 /nfs/dbraw/zinc/16/61/08/326166108.db2.gz LJDIRKYIRBSVET-SNVBAGLBSA-N 1 0 356.220 2.429 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000119629346 326182133 /nfs/dbraw/zinc/18/21/33/326182133.db2.gz OHIPJNLTGKSZHM-ZDUSSCGKSA-N 1 0 365.430 2.320 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000119705985 326190082 /nfs/dbraw/zinc/19/00/82/326190082.db2.gz CHKFJUNBZOJWPC-CZUORRHYSA-N 1 0 362.430 2.030 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1C ZINC000120133731 326232955 /nfs/dbraw/zinc/23/29/55/326232955.db2.gz PSAHSOSELQJADG-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000120209413 326241034 /nfs/dbraw/zinc/24/10/34/326241034.db2.gz RDZDUUKRJLWSEF-OAHLLOKOSA-N 1 0 353.806 2.458 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000120620566 326273439 /nfs/dbraw/zinc/27/34/39/326273439.db2.gz HOEZBQXBOORBNA-QGZVFWFLSA-N 1 0 369.487 2.385 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121491026 326342581 /nfs/dbraw/zinc/34/25/81/326342581.db2.gz NBIYJBZDGFPCKL-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO Cc1sc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000123999290 326446117 /nfs/dbraw/zinc/44/61/17/326446117.db2.gz FZCNUPYUNNKBFC-UHFFFAOYSA-N 1 0 364.427 2.230 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000124539369 326455789 /nfs/dbraw/zinc/45/57/89/326455789.db2.gz CFEFEATXZWAGQP-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO Cc1c(CC(=O)NC2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000127323697 326504227 /nfs/dbraw/zinc/50/42/27/326504227.db2.gz HNMGQPYKWAAOMN-UHFFFAOYSA-N 1 0 363.458 2.451 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000127652286 326510406 /nfs/dbraw/zinc/51/04/06/326510406.db2.gz UYRCXIVRVIYNQH-OAHLLOKOSA-N 1 0 369.425 2.338 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000128860206 326530870 /nfs/dbraw/zinc/53/08/70/326530870.db2.gz WQKMKSYSSHLZCO-SJLPKXTDSA-N 1 0 369.425 2.454 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129348347 326538963 /nfs/dbraw/zinc/53/89/63/326538963.db2.gz CYGGBVZGFPYGRD-UHFFFAOYSA-N 1 0 358.398 2.362 20 5 FEBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000132736976 326597293 /nfs/dbraw/zinc/59/72/93/326597293.db2.gz JBVJTRDPZNMNJH-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000132956475 326600622 /nfs/dbraw/zinc/60/06/22/326600622.db2.gz ZKARMSZXUJLIHB-UHFFFAOYSA-N 1 0 356.220 2.490 20 5 FEBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000133634243 326612233 /nfs/dbraw/zinc/61/22/33/326612233.db2.gz WDCKMKDGGSGINW-IRXDYDNUSA-N 1 0 374.485 2.154 20 5 FEBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000135489791 326642394 /nfs/dbraw/zinc/64/23/94/326642394.db2.gz YFKDPVNQEZRCPM-UHFFFAOYSA-N 1 0 365.405 2.499 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000136865451 326656047 /nfs/dbraw/zinc/65/60/47/326656047.db2.gz XXKUAKIDZAGIBO-PMACEKPBSA-N 1 0 371.437 2.291 20 5 FEBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000151979454 326696134 /nfs/dbraw/zinc/69/61/34/326696134.db2.gz JYOGTDBGNYTJFE-ZIAGYGMSSA-N 1 0 364.446 2.256 20 5 FEBDRO C[NH+](C)[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CCCCC1 ZINC000161886541 327011569 /nfs/dbraw/zinc/01/15/69/327011569.db2.gz QIFPAMLVKDUDLU-HNNXBMFYSA-N 1 0 370.475 2.165 20 5 FEBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000162333685 327022776 /nfs/dbraw/zinc/02/27/76/327022776.db2.gz RGQCULJFCHXEME-UHFFFAOYSA-N 1 0 361.402 2.301 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](CC)CC1 ZINC000164070448 327064152 /nfs/dbraw/zinc/06/41/52/327064152.db2.gz BEDUMYGSKODLID-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000165852184 327079401 /nfs/dbraw/zinc/07/94/01/327079401.db2.gz GICDMTFUEVELPD-UWVGGRQHSA-N 1 0 356.220 2.475 20 5 FEBDRO C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000165851918 327079566 /nfs/dbraw/zinc/07/95/66/327079566.db2.gz GICDMTFUEVELPD-VHSXEESVSA-N 1 0 356.220 2.475 20 5 FEBDRO COc1cc(OCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000170684672 327093820 /nfs/dbraw/zinc/09/38/20/327093820.db2.gz SEFHYXJSBAFLCH-AWEZNQCLSA-N 1 0 363.414 2.069 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000171980284 327174047 /nfs/dbraw/zinc/17/40/47/327174047.db2.gz RDQLTLKXPXGRBY-UHFFFAOYSA-N 1 0 360.418 2.027 20 5 FEBDRO CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)([NH+]2CCCCC2)CC1 ZINC000172752613 327216916 /nfs/dbraw/zinc/21/69/16/327216916.db2.gz YPXXPPJRBQGTEB-UHFFFAOYSA-N 1 0 360.458 2.275 20 5 FEBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172831264 327221207 /nfs/dbraw/zinc/22/12/07/327221207.db2.gz PBKVKQKUJJPEJZ-ZDUSSCGKSA-N 1 0 372.425 2.383 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000173263036 327244789 /nfs/dbraw/zinc/24/47/89/327244789.db2.gz VBKLUZDOGPKLOT-INIZCTEOSA-N 1 0 363.462 2.179 20 5 FEBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173590899 327269484 /nfs/dbraw/zinc/26/94/84/327269484.db2.gz PYXLCYUSCKGPCB-AWEZNQCLSA-N 1 0 365.430 2.220 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173628015 327272298 /nfs/dbraw/zinc/27/22/98/327272298.db2.gz OHUKDRSLAFCOJM-OAHLLOKOSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1nn(C)c(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000173710547 327278886 /nfs/dbraw/zinc/27/88/86/327278886.db2.gz ZTRSAZIRSWNURJ-MRXNPFEDSA-N 1 0 371.441 2.373 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173920589 327294563 /nfs/dbraw/zinc/29/45/63/327294563.db2.gz AVZWNCZAEPXFPX-UONOGXRCSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173988720 327300030 /nfs/dbraw/zinc/30/00/30/327300030.db2.gz JTHYAZULYPFSNA-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173995274 327300299 /nfs/dbraw/zinc/30/02/99/327300299.db2.gz ONNNGOVUPXSXQZ-LLVKDONJSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000174248645 327315363 /nfs/dbraw/zinc/31/53/63/327315363.db2.gz POWMTIMEZICGAF-YHWZYXNKSA-N 1 0 363.414 2.357 20 5 FEBDRO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000174863005 327355996 /nfs/dbraw/zinc/35/59/96/327355996.db2.gz IUGOYKNGDCVNLZ-INIZCTEOSA-N 1 0 355.439 2.320 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000174879852 327357552 /nfs/dbraw/zinc/35/75/52/327357552.db2.gz YEUTXQWMHLQGLB-UHFFFAOYSA-N 1 0 361.358 2.243 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000174981029 327365289 /nfs/dbraw/zinc/36/52/89/327365289.db2.gz IGUGFTMITBAVGY-UHFFFAOYSA-N 1 0 364.446 2.105 20 5 FEBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+](C)Cc1ccccc1 ZINC000175161482 327377509 /nfs/dbraw/zinc/37/75/09/327377509.db2.gz CGWGVXUDIOBUOB-ZDUSSCGKSA-N 1 0 357.414 2.411 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000175167510 327377788 /nfs/dbraw/zinc/37/77/88/327377788.db2.gz ABTBQQJKPKDQLX-MRXNPFEDSA-N 1 0 357.414 2.076 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170985 327378180 /nfs/dbraw/zinc/37/81/80/327378180.db2.gz SDWHPMUURSUMMK-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000175291650 327384922 /nfs/dbraw/zinc/38/49/22/327384922.db2.gz BFZWLTWUIWGAIG-OAHLLOKOSA-N 1 0 350.419 2.229 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000175399787 327390732 /nfs/dbraw/zinc/39/07/32/327390732.db2.gz FGONNUVPFYWYBY-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1C ZINC000178283470 327576275 /nfs/dbraw/zinc/57/62/75/327576275.db2.gz LVGBOPCLMQSJIY-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246403547 328614680 /nfs/dbraw/zinc/61/46/80/328614680.db2.gz QZBFRVSPQCYMSF-NEPJUHHUSA-N 1 0 354.838 2.459 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262480514 328868588 /nfs/dbraw/zinc/86/85/88/328868588.db2.gz ZMSLQGGXABALHX-INIZCTEOSA-N 1 0 357.414 2.289 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[C@@H]1CC[NH2+]C1 ZINC000262571154 328873699 /nfs/dbraw/zinc/87/36/99/328873699.db2.gz HDYKQGADUOOZDE-JTQLQIEISA-N 1 0 356.220 2.016 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC1([NH+]2CCCC2)CCOCC1 ZINC000264148195 328995169 /nfs/dbraw/zinc/99/51/69/328995169.db2.gz HADBRWYYURIUJH-BQYQJAHWSA-N 1 0 359.426 2.369 20 5 FEBDRO Cc1noc(CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264235982 329003392 /nfs/dbraw/zinc/00/33/92/329003392.db2.gz DDPXUSHIOOUOCQ-UHFFFAOYSA-N 1 0 356.386 2.409 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000264909443 329073511 /nfs/dbraw/zinc/07/35/11/329073511.db2.gz DYFPXNFRQUPRMZ-HIFRSBDPSA-N 1 0 362.430 2.101 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294710 329111561 /nfs/dbraw/zinc/11/15/61/329111561.db2.gz NGEPJGIIRBAJKD-HOTGVXAUSA-N 1 0 356.382 2.205 20 5 FEBDRO CC(C)n1c(Sc2c([N+](=O)[O-])ncn2C)nnc1[C@@H]1CCC[NH2+]C1 ZINC000265484493 329131902 /nfs/dbraw/zinc/13/19/02/329131902.db2.gz UHHFBPHJCIJXLN-SNVBAGLBSA-N 1 0 351.436 2.119 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000265996218 329180019 /nfs/dbraw/zinc/18/00/19/329180019.db2.gz NNOGVCYCESXVGK-GXTWGEPZSA-N 1 0 365.430 2.414 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000266260408 329205668 /nfs/dbraw/zinc/20/56/68/329205668.db2.gz DPFDPKAEHDSDRS-GFCCVEGCSA-N 1 0 359.423 2.086 20 5 FEBDRO CCc1ccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000266914435 329272399 /nfs/dbraw/zinc/27/23/99/329272399.db2.gz IGEBREJEYVRPAR-UHFFFAOYSA-N 1 0 360.458 2.011 20 5 FEBDRO CNC(=O)c1ccc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000267057132 329287106 /nfs/dbraw/zinc/28/71/06/329287106.db2.gz OOAJONPPTWZZAV-UHFFFAOYSA-N 1 0 364.446 2.256 20 5 FEBDRO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068661 329288676 /nfs/dbraw/zinc/28/86/76/329288676.db2.gz VHSBLCCSNCRHKI-OCCSQVGLSA-N 1 0 353.394 2.097 20 5 FEBDRO COc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000267293759 329311591 /nfs/dbraw/zinc/31/15/91/329311591.db2.gz CZIPIUPPTPOQRQ-KBPBESRZSA-N 1 0 350.419 2.275 20 5 FEBDRO CC1(C2CC[NH+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)OCCO1 ZINC000268488765 329425930 /nfs/dbraw/zinc/42/59/30/329425930.db2.gz QYSTXQRGWKSVQZ-UHFFFAOYSA-N 1 0 364.398 2.436 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858129 329462471 /nfs/dbraw/zinc/46/24/71/329462471.db2.gz RIZMMIAWXHBUIF-SWLSCSKDSA-N 1 0 360.366 2.414 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269174398 329493510 /nfs/dbraw/zinc/49/35/10/329493510.db2.gz GOUDNHAOTYNTDJ-MRVPVSSYSA-N 1 0 360.183 2.226 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000270043739 329570610 /nfs/dbraw/zinc/57/06/10/329570610.db2.gz BAIAWXUTNWIMKV-AWEZNQCLSA-N 1 0 365.405 2.303 20 5 FEBDRO COc1cc(C[NH+]2CCC(CCC(N)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000271194315 329671401 /nfs/dbraw/zinc/67/14/01/329671401.db2.gz NCSLACGCYULNAX-UHFFFAOYSA-N 1 0 351.403 2.090 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)[C@H](C)C[NH2+]1 ZINC000272646642 329801055 /nfs/dbraw/zinc/80/10/55/329801055.db2.gz YKEOPZOODRWTEJ-HTQZYQBOSA-N 1 0 360.183 2.319 20 5 FEBDRO Cc1cc(NC[C@@H]2CCN(S(C)(=O)=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272862495 329818850 /nfs/dbraw/zinc/81/88/50/329818850.db2.gz QSVXESISPOGDBD-LBPRGKRZSA-N 1 0 364.427 2.145 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000272869456 329819284 /nfs/dbraw/zinc/81/92/84/329819284.db2.gz UHRJRGPFGPVDHY-UHFFFAOYSA-N 1 0 366.418 2.226 20 5 FEBDRO Cc1c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000272982960 329828062 /nfs/dbraw/zinc/82/80/62/329828062.db2.gz JLWJJDICSGECEQ-INIZCTEOSA-N 1 0 350.375 2.239 20 5 FEBDRO C[C@@]1(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000273017997 329830434 /nfs/dbraw/zinc/83/04/34/329830434.db2.gz PVSUQVYBJOHMTF-CQSZACIVSA-N 1 0 356.220 2.477 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000273064422 329834193 /nfs/dbraw/zinc/83/41/93/329834193.db2.gz NEFIPAZDCJKTMB-ZWKOTPCHSA-N 1 0 363.414 2.479 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]12 ZINC000273500839 329869687 /nfs/dbraw/zinc/86/96/87/329869687.db2.gz YOGNCUDJFRKCKL-WHGOUJPWSA-N 1 0 372.194 2.306 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000273968481 329906171 /nfs/dbraw/zinc/90/61/71/329906171.db2.gz HHSKAJRQVSJSLS-YPMHNXCESA-N 1 0 351.403 2.409 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000274089798 329914950 /nfs/dbraw/zinc/91/49/50/329914950.db2.gz TYLLEFYHHNQXAG-VHSXEESVSA-N 1 0 357.794 2.364 20 5 FEBDRO CS[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000275033477 330003987 /nfs/dbraw/zinc/00/39/87/330003987.db2.gz FYTFDHUECFDICN-YESZJQIVSA-N 1 0 351.472 2.140 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000275290438 330031200 /nfs/dbraw/zinc/03/12/00/330031200.db2.gz OOZGNOLBHTXFPT-HUUCEWRRSA-N 1 0 353.419 2.386 20 5 FEBDRO C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CC(C)(C)O ZINC000275530323 330060299 /nfs/dbraw/zinc/06/02/99/330060299.db2.gz FQGIZTSLVSSOKO-AWEZNQCLSA-N 1 0 363.458 2.176 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000275948686 330105839 /nfs/dbraw/zinc/10/58/39/330105839.db2.gz YKHKUVRWMQSIIW-ZDUSSCGKSA-N 1 0 362.430 2.030 20 5 FEBDRO C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@H+](C)CC1 ZINC000276317629 330140015 /nfs/dbraw/zinc/14/00/15/330140015.db2.gz PMCAZGDPDWFRKX-ZDUSSCGKSA-N 1 0 360.414 2.018 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443503 330152583 /nfs/dbraw/zinc/15/25/83/330152583.db2.gz JAEVYVRTHWZUNR-PWSUYJOCSA-N 1 0 360.357 2.498 20 5 FEBDRO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000276572521 330166007 /nfs/dbraw/zinc/16/60/07/330166007.db2.gz NEUMHRASTKHTQO-UHFFFAOYSA-N 1 0 351.334 2.018 20 5 FEBDRO COC(=O)c1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000297143103 330196277 /nfs/dbraw/zinc/19/62/77/330196277.db2.gz LIEUMZRPALHASZ-UHFFFAOYSA-N 1 0 361.398 2.128 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000367199918 330229161 /nfs/dbraw/zinc/22/91/61/330229161.db2.gz MKGVXXRAQJRCIV-UHFFFAOYSA-N 1 0 373.862 2.321 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367219920 330232161 /nfs/dbraw/zinc/23/21/61/330232161.db2.gz PCXJTTXUPAOLQQ-JKSUJKDBSA-N 1 0 358.394 2.318 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000369339623 330241670 /nfs/dbraw/zinc/24/16/70/330241670.db2.gz OZFCIOWHXQCKDM-YPMHNXCESA-N 1 0 353.806 2.228 20 5 FEBDRO Cn1cc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929943 330252657 /nfs/dbraw/zinc/25/26/57/330252657.db2.gz BBCVCFHXFMVRBD-HOCLYGCPSA-N 1 0 369.425 2.133 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000411382801 330256477 /nfs/dbraw/zinc/25/64/77/330256477.db2.gz FWAQAPRWYVPPGF-UHFFFAOYSA-N 1 0 364.446 2.196 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426240202 330271517 /nfs/dbraw/zinc/27/15/17/330271517.db2.gz VJJLXPLFNIHZKL-SGIREYDYSA-N 1 0 351.403 2.166 20 5 FEBDRO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555142981 674349515 /nfs/dbraw/zinc/34/95/15/674349515.db2.gz RJLGHFDPCQYWIS-CYBMUJFWSA-N 1 0 363.805 2.457 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000155320369 545510927 /nfs/dbraw/zinc/51/09/27/545510927.db2.gz CRQJVCPWESKOQQ-CRAIPNDOSA-N 1 0 362.474 2.497 20 5 FEBDRO O=C(CC[N@@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000155877897 545579110 /nfs/dbraw/zinc/57/91/10/545579110.db2.gz PKSQBEVZNQBZJV-UHFFFAOYSA-N 1 0 374.363 2.493 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000156140948 545602564 /nfs/dbraw/zinc/60/25/64/545602564.db2.gz LDAPIVAYSZYGMP-UHFFFAOYSA-N 1 0 367.471 2.375 20 5 FEBDRO CN(CC(=O)N(CC[NH+](C)C)Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000156458296 545628369 /nfs/dbraw/zinc/62/83/69/545628369.db2.gz NPDIIKATAYBTKS-UHFFFAOYSA-N 1 0 360.414 2.214 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000478401568 561165929 /nfs/dbraw/zinc/16/59/29/561165929.db2.gz RBCSEPVZKCLPPJ-ROUUACIJSA-N 1 0 355.394 2.188 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000478447077 561167023 /nfs/dbraw/zinc/16/70/23/561167023.db2.gz QNZKXVVZLOYNIU-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000161337346 546121472 /nfs/dbraw/zinc/12/14/72/546121472.db2.gz PJLKSRGEXJKGLD-ZDUSSCGKSA-N 1 0 355.398 2.065 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183408 546417594 /nfs/dbraw/zinc/41/75/94/546417594.db2.gz DUUBKWQFYHCVPG-HOCLYGCPSA-N 1 0 364.446 2.374 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000480786054 561216747 /nfs/dbraw/zinc/21/67/47/561216747.db2.gz KSVOMNHZUSTHKV-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CS(=O)(=O)c1cccc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000480837188 561217866 /nfs/dbraw/zinc/21/78/66/561217866.db2.gz JTXPKKKMKRJRRA-UHFFFAOYSA-N 1 0 353.444 2.427 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000177470122 546626180 /nfs/dbraw/zinc/62/61/80/546626180.db2.gz BZEZOLJWYXMAQF-UONOGXRCSA-N 1 0 372.429 2.087 20 5 FEBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178676658 546830662 /nfs/dbraw/zinc/83/06/62/546830662.db2.gz GRQHJBRUPYNCHE-CVEARBPZSA-N 1 0 357.414 2.483 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178689785 546833441 /nfs/dbraw/zinc/83/34/41/546833441.db2.gz LIBDMRAMMDLESV-STQMWFEESA-N 1 0 350.419 2.424 20 5 FEBDRO Cc1c(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000178842897 546860361 /nfs/dbraw/zinc/86/03/61/546860361.db2.gz LFNFANDMURIXMU-NSHDSACASA-N 1 0 350.375 2.319 20 5 FEBDRO COc1cc(CCNC(=O)CCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000179772146 547011837 /nfs/dbraw/zinc/01/18/37/547011837.db2.gz VRAQSVOXQNCGKS-UHFFFAOYSA-N 1 0 365.430 2.051 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])CC(C)C ZINC000180010873 547038706 /nfs/dbraw/zinc/03/87/06/547038706.db2.gz AEEBSQBHYDCFFN-ZDUSSCGKSA-N 1 0 372.491 2.411 20 5 FEBDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180200154 547067150 /nfs/dbraw/zinc/06/71/50/547067150.db2.gz VZYUHTNTCBHCBD-UHFFFAOYSA-N 1 0 357.410 2.467 20 5 FEBDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180450901 547110486 /nfs/dbraw/zinc/11/04/86/547110486.db2.gz LJCPYCQOWFSBOM-BBRMVZONSA-N 1 0 363.414 2.190 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180518015 547122854 /nfs/dbraw/zinc/12/28/54/547122854.db2.gz VYFAESOWQGFXIB-BETUJISGSA-N 1 0 363.414 2.421 20 5 FEBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000181119507 547253877 /nfs/dbraw/zinc/25/38/77/547253877.db2.gz PMJSCLKONBSRKH-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000181404508 547309115 /nfs/dbraw/zinc/30/91/15/547309115.db2.gz QPTVGADVVYFRRM-TZMCWYRMSA-N 1 0 351.403 2.167 20 5 FEBDRO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831346 547388062 /nfs/dbraw/zinc/38/80/62/547388062.db2.gz KFWIHAQSYGSLTH-UKRRQHHQSA-N 1 0 365.430 2.258 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000182162321 547446343 /nfs/dbraw/zinc/44/63/43/547446343.db2.gz OMUWCXVGUNCWGI-ZDUSSCGKSA-N 1 0 362.430 2.222 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000182341661 547476560 /nfs/dbraw/zinc/47/65/60/547476560.db2.gz GIURHNDZIHUONC-ZDUSSCGKSA-N 1 0 370.475 2.179 20 5 FEBDRO Cc1nccn1C[C@@H](C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876655 547564653 /nfs/dbraw/zinc/56/46/53/547564653.db2.gz WGHMOKOMRKWMOM-SJCJKPOMSA-N 1 0 371.397 2.045 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182961770 547580486 /nfs/dbraw/zinc/58/04/86/547580486.db2.gz JLEAGDCZSAOKDF-NEPJUHHUSA-N 1 0 359.423 2.146 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000183404491 547651820 /nfs/dbraw/zinc/65/18/20/547651820.db2.gz MCPLBCWZHZAJDS-HNNXBMFYSA-N 1 0 361.423 2.153 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000484443736 561297985 /nfs/dbraw/zinc/29/79/85/561297985.db2.gz SNLXHFZVHUKLOT-AWEZNQCLSA-N 1 0 350.419 2.277 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184370465 547814935 /nfs/dbraw/zinc/81/49/35/547814935.db2.gz BOUAMNGESNFUQS-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000184449995 547829033 /nfs/dbraw/zinc/82/90/33/547829033.db2.gz JAUKUPKMBOWNAV-CMPLNLGQSA-N 1 0 353.448 2.257 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC000485011720 561310349 /nfs/dbraw/zinc/31/03/49/561310349.db2.gz BEWSZCUDFKZBPN-ZDUSSCGKSA-N 1 0 358.402 2.057 20 5 FEBDRO C[C@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000185013233 547917235 /nfs/dbraw/zinc/91/72/35/547917235.db2.gz UBZJUHAMIPZDSL-ZDUSSCGKSA-N 1 0 353.394 2.066 20 5 FEBDRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000185158263 547942989 /nfs/dbraw/zinc/94/29/89/547942989.db2.gz HPEHMRQZJBZETD-IBGZPJMESA-N 1 0 369.421 2.155 20 5 FEBDRO C[N@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000485439482 561319301 /nfs/dbraw/zinc/31/93/01/561319301.db2.gz NVDLNWFYSGQZSC-MRXNPFEDSA-N 1 0 351.472 2.471 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186034466 548075832 /nfs/dbraw/zinc/07/58/32/548075832.db2.gz KMWLKPRVVOUNFW-CQSZACIVSA-N 1 0 363.439 2.394 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000186266344 548110075 /nfs/dbraw/zinc/11/00/75/548110075.db2.gz DUIVIWZMWTXBMX-UHFFFAOYSA-N 1 0 351.451 2.298 20 5 FEBDRO CC[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000186396432 548129093 /nfs/dbraw/zinc/12/90/93/548129093.db2.gz NXZMEARWNJLAIK-CPUCHLNUSA-N 1 0 364.446 2.142 20 5 FEBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000193781854 548397016 /nfs/dbraw/zinc/39/70/16/548397016.db2.gz WKMHFQIPRUFPSB-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000221548632 548705463 /nfs/dbraw/zinc/70/54/63/548705463.db2.gz UINLAGMGTUZFBJ-TVQRCGJNSA-N 1 0 354.204 2.181 20 5 FEBDRO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000227537455 548752177 /nfs/dbraw/zinc/75/21/77/548752177.db2.gz HOXQGZRYBXRNLX-ZJUUUORDSA-N 1 0 357.208 2.027 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000487532272 561371440 /nfs/dbraw/zinc/37/14/40/561371440.db2.gz DGFXSJIWKOZYFI-UHFFFAOYSA-N 1 0 367.471 2.391 20 5 FEBDRO Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245447679 548924249 /nfs/dbraw/zinc/92/42/49/548924249.db2.gz MHUNFQXDKMMYRM-WBVHZDCISA-N 1 0 372.425 2.224 20 5 FEBDRO CC(C)[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@@H+]1C ZINC000487957383 561379839 /nfs/dbraw/zinc/37/98/39/561379839.db2.gz XEGVIFFWPUYOAU-INIZCTEOSA-N 1 0 362.430 2.165 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245526217 548939262 /nfs/dbraw/zinc/93/92/62/548939262.db2.gz AJVQJEFOUYJTMD-XJKSGUPXSA-N 1 0 365.430 2.415 20 5 FEBDRO CCCC[N@H+](C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000488146314 561384370 /nfs/dbraw/zinc/38/43/70/561384370.db2.gz ISMOGPOFRDQFQF-UHFFFAOYSA-N 1 0 364.446 2.211 20 5 FEBDRO C[C@H](C(=O)N1CCC(C)CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134846 549060421 /nfs/dbraw/zinc/06/04/21/549060421.db2.gz JUDSEWKKHGPAED-HUUCEWRRSA-N 1 0 361.446 2.123 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000246253230 549089465 /nfs/dbraw/zinc/08/94/65/549089465.db2.gz KCOJQWGSBZXUEE-LSDHHAIUSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246733789 549198700 /nfs/dbraw/zinc/19/87/00/549198700.db2.gz OVVDSQWRNRZLHM-KFWWJZLASA-N 1 0 369.487 2.381 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246937468 549246930 /nfs/dbraw/zinc/24/69/30/549246930.db2.gz XIHKBYNPKMWYFW-MAUKXSAKSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246974858 549255079 /nfs/dbraw/zinc/25/50/79/549255079.db2.gz JIXLWIPEQMXRKN-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000247129083 549289421 /nfs/dbraw/zinc/28/94/21/549289421.db2.gz NLLQNAVSYUPBRH-KBXCAEBGSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249627725 549612548 /nfs/dbraw/zinc/61/25/48/549612548.db2.gz QPRGCFQFURTXBC-KBPBESRZSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000253159110 549680544 /nfs/dbraw/zinc/68/05/44/549680544.db2.gz QYCMHZNKDAJQPT-NDMJEZRESA-N 1 0 368.821 2.209 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261603032 549733386 /nfs/dbraw/zinc/73/33/86/549733386.db2.gz CEFOJGMTIPASCF-ZANVPECISA-N 1 0 354.204 2.181 20 5 FEBDRO COc1ccccc1[C@H]1CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261622846 549735766 /nfs/dbraw/zinc/73/57/66/549735766.db2.gz AJINPEBMMDIDRP-QGZVFWFLSA-N 1 0 355.394 2.319 20 5 FEBDRO C[NH2+]CCC1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261966739 549775710 /nfs/dbraw/zinc/77/57/10/549775710.db2.gz BPCYTEVQCSLYCG-CYBMUJFWSA-N 1 0 364.446 2.252 20 5 FEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262096120 549788557 /nfs/dbraw/zinc/78/85/57/549788557.db2.gz YYJXNWLGEBIYJM-ZJUUUORDSA-N 1 0 361.320 2.345 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000262762936 549847130 /nfs/dbraw/zinc/84/71/30/549847130.db2.gz ANHJBOLCABLTAV-DGCLKSJQSA-N 1 0 353.444 2.093 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000490543296 561434853 /nfs/dbraw/zinc/43/48/53/561434853.db2.gz ZWRUIRGJNZWKOG-SFHVURJKSA-N 1 0 357.414 2.113 20 5 FEBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490630239 561436351 /nfs/dbraw/zinc/43/63/51/561436351.db2.gz JWCRXQOYUFMXGM-YOEHRIQHSA-N 1 0 350.438 2.192 20 5 FEBDRO CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000490654514 561436841 /nfs/dbraw/zinc/43/68/41/561436841.db2.gz YIUMSRVFJDNAIW-UHFFFAOYSA-N 1 0 367.402 2.206 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000263871182 549948900 /nfs/dbraw/zinc/94/89/00/549948900.db2.gz ZWYFTJULXVDXQE-OAHLLOKOSA-N 1 0 361.398 2.082 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261509 550041934 /nfs/dbraw/zinc/04/19/34/550041934.db2.gz ZIWOAMYIMKISSM-CXAGYDPISA-N 1 0 358.442 2.408 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268475927 550072934 /nfs/dbraw/zinc/07/29/34/550072934.db2.gz NQLNQOFCFIGYNZ-UHFFFAOYSA-N 1 0 367.471 2.038 20 5 FEBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000269197480 550166765 /nfs/dbraw/zinc/16/67/65/550166765.db2.gz LSLAYABCSQUCKR-ZJUUUORDSA-N 1 0 356.220 2.475 20 5 FEBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000269281436 550175739 /nfs/dbraw/zinc/17/57/39/550175739.db2.gz QPXLNCSJYMAVIX-XCBNKYQSSA-N 1 0 360.183 2.354 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269666073 550215252 /nfs/dbraw/zinc/21/52/52/550215252.db2.gz JLEGGPSEQZZORW-DZGCQCFKSA-N 1 0 364.446 2.475 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000270619755 550289850 /nfs/dbraw/zinc/28/98/50/550289850.db2.gz HNVWUBWHHWUETL-CQSZACIVSA-N 1 0 360.414 2.043 20 5 FEBDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])c2)CC1 ZINC000270856515 550314433 /nfs/dbraw/zinc/31/44/33/550314433.db2.gz ZAIQVNFSKIKXPU-UHFFFAOYSA-N 1 0 371.441 2.490 20 5 FEBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N2CCCC2=O)C1 ZINC000270912044 550320133 /nfs/dbraw/zinc/32/01/33/550320133.db2.gz OAWWTVQVLSVLID-IUODEOHRSA-N 1 0 371.397 2.403 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)C1 ZINC000271107046 550340985 /nfs/dbraw/zinc/34/09/85/550340985.db2.gz LMUSKNWPTJXPSL-CQSZACIVSA-N 1 0 371.441 2.490 20 5 FEBDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000494248345 561465558 /nfs/dbraw/zinc/46/55/58/561465558.db2.gz QXANNAAHNVWJKN-OTYXRUKQSA-N 1 0 372.219 2.453 20 5 FEBDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272252721 550431776 /nfs/dbraw/zinc/43/17/76/550431776.db2.gz CEWIQPLRMUUPEP-GWCFXTLKSA-N 1 0 360.357 2.450 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000272599828 550460283 /nfs/dbraw/zinc/46/02/83/550460283.db2.gz XOQROVWKVAOBFP-CYBMUJFWSA-N 1 0 355.460 2.254 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272617793 550461203 /nfs/dbraw/zinc/46/12/03/550461203.db2.gz LKAAATUNYFJNNF-CMPLNLGQSA-N 1 0 358.341 2.274 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F ZINC000273447531 550498957 /nfs/dbraw/zinc/49/89/57/550498957.db2.gz YAAAYKLUQNMDND-CQSZACIVSA-N 1 0 358.320 2.176 20 5 FEBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000273500590 550500732 /nfs/dbraw/zinc/50/07/32/550500732.db2.gz OBYTUKDSMFISOE-HNNXBMFYSA-N 1 0 369.425 2.190 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494637004 561473092 /nfs/dbraw/zinc/47/30/92/561473092.db2.gz ZNQUNHJPZKUMDQ-GJZGRUSLSA-N 1 0 361.423 2.393 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+]([C@@H]4CCCC[C@H]4O)CC3)nc2c1 ZINC000274871132 550561245 /nfs/dbraw/zinc/56/12/45/550561245.db2.gz XFJVKQCTJKFODA-IAGOWNOFSA-N 1 0 359.430 2.287 20 5 FEBDRO Cn1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276767607 550593615 /nfs/dbraw/zinc/59/36/15/550593615.db2.gz HVRYASHYSFJWPV-QGZVFWFLSA-N 1 0 369.425 2.192 20 5 FEBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000276942325 550613821 /nfs/dbraw/zinc/61/38/21/550613821.db2.gz BLEUYSCVDWQPKD-GFCCVEGCSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277021700 550622762 /nfs/dbraw/zinc/62/27/62/550622762.db2.gz ANKDJCSZEAGWGN-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1OC ZINC000277630185 550694202 /nfs/dbraw/zinc/69/42/02/550694202.db2.gz XCOAFOSQGIGHNV-CQSZACIVSA-N 1 0 363.414 2.359 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1F ZINC000277780935 550713444 /nfs/dbraw/zinc/71/34/44/550713444.db2.gz UFCNKZTVCAIQMF-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277955738 550732865 /nfs/dbraw/zinc/73/28/65/550732865.db2.gz TTWFQMHGFWNCKK-LBPRGKRZSA-N 1 0 360.418 2.002 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278786367 550821959 /nfs/dbraw/zinc/82/19/59/550821959.db2.gz YOSPEPJAODSIPL-OAHLLOKOSA-N 1 0 363.458 2.490 20 5 FEBDRO C[C@H]1CC[C@](CO)([N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251541 561485623 /nfs/dbraw/zinc/48/56/23/561485623.db2.gz WKCZGMUXPRNYPS-UGSOOPFHSA-N 1 0 363.414 2.376 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510479 550898304 /nfs/dbraw/zinc/89/83/04/550898304.db2.gz UHFULMJGAREVSF-BXUZGUMPSA-N 1 0 352.410 2.212 20 5 FEBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000280251008 550974374 /nfs/dbraw/zinc/97/43/74/550974374.db2.gz BXXDEGBXXNAZIM-PMUMKWKESA-N 1 0 363.414 2.110 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000280908427 551044625 /nfs/dbraw/zinc/04/46/25/551044625.db2.gz IFZMHYLVFDNGIP-UHFFFAOYSA-N 1 0 365.430 2.224 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000281034838 551056898 /nfs/dbraw/zinc/05/68/98/551056898.db2.gz URDOHQLDUKKXBM-AWEZNQCLSA-N 1 0 356.382 2.463 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281108716 551064079 /nfs/dbraw/zinc/06/40/79/551064079.db2.gz GDOVWGYLZGHMJQ-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO COC(=O)[C@]1(C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000282250369 551201556 /nfs/dbraw/zinc/20/15/56/551201556.db2.gz CAAPBVHYPPQNDK-FZKQIMNGSA-N 1 0 363.414 2.363 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000283030984 551300286 /nfs/dbraw/zinc/30/02/86/551300286.db2.gz HRBILHCEHMJGON-ZJUUUORDSA-N 1 0 357.794 2.364 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)n1 ZINC000497861493 561510153 /nfs/dbraw/zinc/51/01/53/561510153.db2.gz XGFQOQQYFUGNGO-UHFFFAOYSA-N 1 0 358.402 2.087 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000284836852 551647041 /nfs/dbraw/zinc/64/70/41/551647041.db2.gz NFCODTQVTLHHQM-IRXDYDNUSA-N 1 0 358.398 2.155 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000498583122 561529581 /nfs/dbraw/zinc/52/95/81/561529581.db2.gz IYGKSFLCRFOOCL-CHWSQXEVSA-N 1 0 363.414 2.326 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285324508 551738432 /nfs/dbraw/zinc/73/84/32/551738432.db2.gz NJNBGWZWIGBJDH-SFHVURJKSA-N 1 0 363.414 2.113 20 5 FEBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285328717 551738928 /nfs/dbraw/zinc/73/89/28/551738928.db2.gz NROGRPKDOWGCFK-AAEUAGOBSA-N 1 0 373.862 2.496 20 5 FEBDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286034331 551841208 /nfs/dbraw/zinc/84/12/08/551841208.db2.gz QASMZNKNIWFHSS-UHFFFAOYSA-N 1 0 361.427 2.427 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000286641978 551909677 /nfs/dbraw/zinc/90/96/77/551909677.db2.gz BHUHBAZUUWLAFC-OCCSQVGLSA-N 1 0 363.414 2.311 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000286653710 551911024 /nfs/dbraw/zinc/91/10/24/551911024.db2.gz DTRDDSZYSUMLAA-UHFFFAOYSA-N 1 0 372.429 2.124 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287224042 551977995 /nfs/dbraw/zinc/97/79/95/551977995.db2.gz FQLUKKHBQDVSJD-OAHLLOKOSA-N 1 0 374.441 2.176 20 5 FEBDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000287793998 552047369 /nfs/dbraw/zinc/04/73/69/552047369.db2.gz TUBVZYKKHDEBLF-OAHLLOKOSA-N 1 0 361.402 2.203 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000288384520 552144514 /nfs/dbraw/zinc/14/45/14/552144514.db2.gz LYRMHICTUHBITL-CHWSQXEVSA-N 1 0 361.398 2.065 20 5 FEBDRO CC[C@H](C)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC ZINC000499785228 561558338 /nfs/dbraw/zinc/55/83/38/561558338.db2.gz IBEXTNGAMJQYDX-LBPRGKRZSA-N 1 0 365.386 2.166 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000500118114 561566299 /nfs/dbraw/zinc/56/62/99/561566299.db2.gz CTXPXYDXSOCFER-NEPJUHHUSA-N 1 0 351.403 2.167 20 5 FEBDRO O=C1NC(=O)C2(CC[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)N1 ZINC000289368023 552309008 /nfs/dbraw/zinc/30/90/08/552309008.db2.gz NVVPTZBTQZGXES-UHFFFAOYSA-N 1 0 373.196 2.076 20 5 FEBDRO CC[C@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289402014 552315371 /nfs/dbraw/zinc/31/53/71/552315371.db2.gz AKJOJDHBRUSWKL-LBPRGKRZSA-N 1 0 364.183 2.450 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1(C)C ZINC000289618728 552350737 /nfs/dbraw/zinc/35/07/37/552350737.db2.gz JPRBLZSJFLBWJH-UHFFFAOYSA-N 1 0 369.853 2.396 20 5 FEBDRO Cc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000289658020 552357324 /nfs/dbraw/zinc/35/73/24/552357324.db2.gz YLBSWIKDSMMXEC-HNNXBMFYSA-N 1 0 355.460 2.007 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000289707759 552365457 /nfs/dbraw/zinc/36/54/57/552365457.db2.gz HOKUDPUWSJQHTI-UHFFFAOYSA-N 1 0 363.462 2.305 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290152984 552435629 /nfs/dbraw/zinc/43/56/29/552435629.db2.gz NIOKYEBWGXBYLO-HZPDHXFCSA-N 1 0 361.445 2.223 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514312 552491092 /nfs/dbraw/zinc/49/10/92/552491092.db2.gz AYFOABAXOGXAHA-SWLSCSKDSA-N 1 0 355.398 2.021 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000290646916 552512177 /nfs/dbraw/zinc/51/21/77/552512177.db2.gz BLCHZLGJUJKJDN-CQSZACIVSA-N 1 0 374.441 2.040 20 5 FEBDRO COc1cc(C[NH2+]CCc2cn[nH]c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000291611672 552643271 /nfs/dbraw/zinc/64/32/71/552643271.db2.gz RBTYUYIBNWAZII-UHFFFAOYSA-N 1 0 356.329 2.303 20 5 FEBDRO CC[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000291758311 552658870 /nfs/dbraw/zinc/65/88/70/552658870.db2.gz RCFFOMMDXKFNAB-NSHDSACASA-N 1 0 350.156 2.060 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000501503904 561599174 /nfs/dbraw/zinc/59/91/74/561599174.db2.gz PNIVWPGEZWNRKA-HUUCEWRRSA-N 1 0 363.462 2.426 20 5 FEBDRO COc1cc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c([N+](=O)[O-])cc1O ZINC000293040258 552783135 /nfs/dbraw/zinc/78/31/35/552783135.db2.gz SFUHBUAAHVCWTP-UHFFFAOYSA-N 1 0 373.409 2.435 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294393238 552902525 /nfs/dbraw/zinc/90/25/25/552902525.db2.gz SDSMMPSHVHBOLG-IINYFYTJSA-N 1 0 362.352 2.091 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000294950898 552946744 /nfs/dbraw/zinc/94/67/44/552946744.db2.gz AVICQESZCIKWCA-SJCJKPOMSA-N 1 0 364.423 2.383 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295043755 552953680 /nfs/dbraw/zinc/95/36/80/552953680.db2.gz GDJFRZFPUXASCX-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO CN(C)C(=O)C1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCCC1 ZINC000295077302 552956692 /nfs/dbraw/zinc/95/66/92/552956692.db2.gz ROOUZJUQJWUHSY-UHFFFAOYSA-N 1 0 363.414 2.342 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000295083399 552957191 /nfs/dbraw/zinc/95/71/91/552957191.db2.gz VVUPMEBPICNABZ-INIZCTEOSA-N 1 0 368.865 2.250 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295234433 552973424 /nfs/dbraw/zinc/97/34/24/552973424.db2.gz CWIRIECLGXTNEG-AGUYFDCRSA-N 1 0 353.444 2.061 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000295296918 552983446 /nfs/dbraw/zinc/98/34/46/552983446.db2.gz JAUXTXLKEUATPH-SNVBAGLBSA-N 1 0 361.427 2.156 20 5 FEBDRO CCn1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000295923351 553076010 /nfs/dbraw/zinc/07/60/10/553076010.db2.gz FMHKYIRIWFQORM-NWDGAFQWSA-N 1 0 361.402 2.498 20 5 FEBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000295923345 553076296 /nfs/dbraw/zinc/07/62/96/553076296.db2.gz FMHKYIRIWFQORM-NEPJUHHUSA-N 1 0 361.402 2.498 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CC[NH+]([C@H](C)CC)CC2)c([N+](=O)[O-])c1 ZINC000295980415 553084548 /nfs/dbraw/zinc/08/45/48/553084548.db2.gz JDHKNJIFAKXJKW-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296735156 553204748 /nfs/dbraw/zinc/20/47/48/553204748.db2.gz OITZNVAOLCOQDG-GUYCJALGSA-N 1 0 374.393 2.472 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000296780977 553210706 /nfs/dbraw/zinc/21/07/06/553210706.db2.gz CUVRCLKVRCJXIG-LBPRGKRZSA-N 1 0 351.403 2.168 20 5 FEBDRO COC(=O)C1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296874088 553223345 /nfs/dbraw/zinc/22/33/45/553223345.db2.gz ZWHBOKTXUZFZSM-STQMWFEESA-N 1 0 363.414 2.046 20 5 FEBDRO Nc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297344639 553281065 /nfs/dbraw/zinc/28/10/65/553281065.db2.gz YQDZWOJLOAQWIR-ZBFHGGJFSA-N 1 0 358.373 2.273 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503928 561643075 /nfs/dbraw/zinc/64/30/75/561643075.db2.gz JRFXBSKUZCKXQK-GJZGRUSLSA-N 1 0 369.487 2.320 20 5 FEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000298596727 553446585 /nfs/dbraw/zinc/44/65/85/553446585.db2.gz SAZBKPGJCBMLSQ-QAPCUYQASA-N 1 0 365.430 2.079 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000298828546 553478243 /nfs/dbraw/zinc/47/82/43/553478243.db2.gz GUIRTWUZKAUHHO-HUUCEWRRSA-N 1 0 374.441 2.235 20 5 FEBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCCC[NH+]1CCOCC1 ZINC000299209965 553531387 /nfs/dbraw/zinc/53/13/87/553531387.db2.gz FYPLIOJPMUQFIG-UHFFFAOYSA-N 1 0 364.446 2.016 20 5 FEBDRO COc1cc(CN2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000299355038 553552238 /nfs/dbraw/zinc/55/22/38/553552238.db2.gz SLHVWZLUVOWQQI-UHFFFAOYSA-N 1 0 357.357 2.485 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427828 553561810 /nfs/dbraw/zinc/56/18/10/553561810.db2.gz XJPSPZFMWKIITI-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccccc1[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000299456493 553565713 /nfs/dbraw/zinc/56/57/13/553565713.db2.gz WEHHOMUANFEVQM-AWEZNQCLSA-N 1 0 373.413 2.202 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000299481578 553569343 /nfs/dbraw/zinc/56/93/43/553569343.db2.gz ZLDCASFRFUTYHO-LJQANCHMSA-N 1 0 374.441 2.094 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000299627172 553590984 /nfs/dbraw/zinc/59/09/84/553590984.db2.gz XRYPTCVMQLPYTM-GFCCVEGCSA-N 1 0 363.443 2.330 20 5 FEBDRO COCC[NH+]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301127261 553623960 /nfs/dbraw/zinc/62/39/60/553623960.db2.gz UXOSGNJCUZHCAO-UHFFFAOYSA-N 1 0 357.414 2.129 20 5 FEBDRO CC[C@H](CO)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301692756 553672172 /nfs/dbraw/zinc/67/21/72/553672172.db2.gz XMDOHDKOMNVRGA-GFCCVEGCSA-N 1 0 358.236 2.250 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NCC3(C[NH+]4CCOCC4)CCCCC3)nn21 ZINC000301976366 553695643 /nfs/dbraw/zinc/69/56/43/553695643.db2.gz WDLXDBOZYKYDTG-UHFFFAOYSA-N 1 0 374.445 2.332 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000302549359 553720910 /nfs/dbraw/zinc/72/09/10/553720910.db2.gz PTMSRUWDCBRMHL-NSHDSACASA-N 1 0 359.373 2.478 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1CC[NH+](C)CC1 ZINC000302802398 553733713 /nfs/dbraw/zinc/73/37/13/553733713.db2.gz DALBDUIINMGKRI-UHFFFAOYSA-N 1 0 352.347 2.043 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000303044760 553743431 /nfs/dbraw/zinc/74/34/31/553743431.db2.gz TZHMHHUTGZRMOH-LBPRGKRZSA-N 1 0 363.443 2.472 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000505614322 561675338 /nfs/dbraw/zinc/67/53/38/561675338.db2.gz SXYSJYVYQHBDCD-INIZCTEOSA-N 1 0 357.414 2.131 20 5 FEBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cc1 ZINC000506029755 561687592 /nfs/dbraw/zinc/68/75/92/561687592.db2.gz DLQHSDRHZFJCFR-MRXNPFEDSA-N 1 0 357.414 2.366 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506529180 561701229 /nfs/dbraw/zinc/70/12/29/561701229.db2.gz YWJJTFINMBFOGY-CYBMUJFWSA-N 1 0 357.414 2.480 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594338 561734538 /nfs/dbraw/zinc/73/45/38/561734538.db2.gz ABRPZGYPHLPKAD-GXTWGEPZSA-N 1 0 356.382 2.261 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000507956644 561747346 /nfs/dbraw/zinc/74/73/46/561747346.db2.gz RLFJJFNICXYIQM-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331014382 554201311 /nfs/dbraw/zinc/20/13/11/554201311.db2.gz XERNJWARLJPFTN-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000331173424 554225908 /nfs/dbraw/zinc/22/59/08/554225908.db2.gz VARNDFPFXIEFGB-KRWDZBQOSA-N 1 0 357.414 2.193 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000331173427 554226060 /nfs/dbraw/zinc/22/60/60/554226060.db2.gz VARNDFPFXIEFGB-QGZVFWFLSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000331323769 554247018 /nfs/dbraw/zinc/24/70/18/554247018.db2.gz MPMLOSKBMIMAFF-JQWIXIFHSA-N 1 0 370.247 2.499 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000332096419 554379273 /nfs/dbraw/zinc/37/92/73/554379273.db2.gz XKHGHQBUMHMJEH-XJKSGUPXSA-N 1 0 367.471 2.459 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000332337589 554428503 /nfs/dbraw/zinc/42/85/03/554428503.db2.gz WDZHPFVRAZPWOT-LSDHHAIUSA-N 1 0 370.247 2.262 20 5 FEBDRO Cc1sc(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000360961533 554897316 /nfs/dbraw/zinc/89/73/16/554897316.db2.gz UPIUAIMZCOSTEV-UHFFFAOYSA-N 1 0 353.444 2.292 20 5 FEBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000361105900 554904437 /nfs/dbraw/zinc/90/44/37/554904437.db2.gz SXFLIOKAGYWROQ-QEJZJMRPSA-N 1 0 360.414 2.087 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153629 554906917 /nfs/dbraw/zinc/90/69/17/554906917.db2.gz JJAGIKPQWHVNQE-AWEZNQCLSA-N 1 0 366.849 2.147 20 5 FEBDRO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000361217817 554910312 /nfs/dbraw/zinc/91/03/12/554910312.db2.gz PXFZXNKLTNEPBO-DZGCQCFKSA-N 1 0 371.397 2.135 20 5 FEBDRO CN(C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12)C1CC[NH2+]CC1 ZINC000361733757 554931673 /nfs/dbraw/zinc/93/16/73/554931673.db2.gz PBBPXSFDHNFNRP-PKOBYXMFSA-N 1 0 372.469 2.336 20 5 FEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362253542 554958392 /nfs/dbraw/zinc/95/83/92/554958392.db2.gz FGVWAXBDMDTYNG-KRWDZBQOSA-N 1 0 350.438 2.334 20 5 FEBDRO COCc1nccc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781597 554988113 /nfs/dbraw/zinc/98/81/13/554988113.db2.gz NRCKLMNESUFLSO-YJBOKZPZSA-N 1 0 372.425 2.444 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363043093 555017014 /nfs/dbraw/zinc/01/70/14/555017014.db2.gz VOKVRMCKADQMIP-ZIAGYGMSSA-N 1 0 357.414 2.220 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1C ZINC000363160811 555042947 /nfs/dbraw/zinc/04/29/47/555042947.db2.gz KXRXRRBKPVTGFO-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424293 555102249 /nfs/dbraw/zinc/10/22/49/555102249.db2.gz QIXYMACANZTIAS-JLSDUUJJSA-N 1 0 361.442 2.143 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424212 555102338 /nfs/dbraw/zinc/10/23/38/555102338.db2.gz PMQNMCSCHPMJJJ-HACGYAERSA-N 1 0 365.405 2.353 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000363641572 555152782 /nfs/dbraw/zinc/15/27/82/555152782.db2.gz PHVUELXCPPMQHI-CSMYWGQOSA-N 1 0 363.414 2.287 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000363647763 555154609 /nfs/dbraw/zinc/15/46/09/555154609.db2.gz AOIIZPGEVBFARQ-UHFFFAOYSA-N 1 0 355.822 2.433 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363660849 555157554 /nfs/dbraw/zinc/15/75/54/555157554.db2.gz OJRAYZXUNPKOMM-UHFFFAOYSA-N 1 0 365.405 2.308 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000363859452 555201163 /nfs/dbraw/zinc/20/11/63/555201163.db2.gz SFFZMPDOTPGART-UHFFFAOYSA-N 1 0 360.458 2.085 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000364038877 555238016 /nfs/dbraw/zinc/23/80/16/555238016.db2.gz OHMZMQXTQXIHJR-GHMZBOCLSA-N 1 0 369.805 2.310 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207922 555270289 /nfs/dbraw/zinc/27/02/89/555270289.db2.gz PXEDFEOUUGJMOH-CYBMUJFWSA-N 1 0 366.849 2.147 20 5 FEBDRO O=C(CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232889 555275428 /nfs/dbraw/zinc/27/54/28/555275428.db2.gz BVABDDNYMDRRRU-CHWSQXEVSA-N 1 0 351.378 2.421 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000364375318 555301882 /nfs/dbraw/zinc/30/18/82/555301882.db2.gz ADEOULNUGQMYBI-ZNMIVQPWSA-N 1 0 364.450 2.011 20 5 FEBDRO COc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c([N+](=O)[O-])cc1OC ZINC000364559624 555338094 /nfs/dbraw/zinc/33/80/94/555338094.db2.gz MPTUZOZKYUESAG-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C1 ZINC000364887153 555426018 /nfs/dbraw/zinc/42/60/18/555426018.db2.gz ZUUSKXWKOSEPMR-OAHLLOKOSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000512851101 561917710 /nfs/dbraw/zinc/91/77/10/561917710.db2.gz MNIJGXZZISWQQM-HUUCEWRRSA-N 1 0 355.460 2.101 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000365206677 555511161 /nfs/dbraw/zinc/51/11/61/555511161.db2.gz YPQKGMZZEDBPKY-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000365219045 555513803 /nfs/dbraw/zinc/51/38/03/555513803.db2.gz HLOMIHDYTGXHPW-YRNRMSPPSA-N 1 0 372.421 2.220 20 5 FEBDRO O=C(C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000365272638 555528809 /nfs/dbraw/zinc/52/88/09/555528809.db2.gz XRGSQFSLCVXWGH-KUHUBIRLSA-N 1 0 355.394 2.419 20 5 FEBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365516487 555596744 /nfs/dbraw/zinc/59/67/44/555596744.db2.gz ROKYLKFCSOMILW-OAHLLOKOSA-N 1 0 371.441 2.442 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000366034948 555732786 /nfs/dbraw/zinc/73/27/86/555732786.db2.gz ZSUKAPFZBIWYPT-QGZVFWFLSA-N 1 0 361.446 2.227 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000366195528 555777716 /nfs/dbraw/zinc/77/77/16/555777716.db2.gz MLSAVWIIPITWNH-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO O=C(N[C@@H]1CCc2[nH]cnc2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455914 555849124 /nfs/dbraw/zinc/84/91/24/555849124.db2.gz KCEMJDVKRBKGFV-CYBMUJFWSA-N 1 0 355.398 2.205 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000366654094 555900245 /nfs/dbraw/zinc/90/02/45/555900245.db2.gz YXYSBPMETPTKEI-UHFFFAOYSA-N 1 0 360.414 2.172 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366837458 555947540 /nfs/dbraw/zinc/94/75/40/555947540.db2.gz GBLBMVZZPPNUAZ-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000514352743 561965793 /nfs/dbraw/zinc/96/57/93/561965793.db2.gz AMYAAKOFTHIYNN-UHFFFAOYSA-N 1 0 357.366 2.315 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000367372504 556030830 /nfs/dbraw/zinc/03/08/30/556030830.db2.gz SLSOYXJZNZGCHP-UHFFFAOYSA-N 1 0 367.409 2.488 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367473825 556060327 /nfs/dbraw/zinc/06/03/27/556060327.db2.gz JCPNJSJWVIWDEP-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000367531905 556075773 /nfs/dbraw/zinc/07/57/73/556075773.db2.gz UXPORRLLDATVMV-MSOLQXFVSA-N 1 0 369.421 2.292 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000367592008 556091768 /nfs/dbraw/zinc/09/17/68/556091768.db2.gz BBMZNBLGJBXCEO-WMZOPIPTSA-N 1 0 370.409 2.182 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000367644652 556103846 /nfs/dbraw/zinc/10/38/46/556103846.db2.gz UIYCCCDDZCZQPF-CVEARBPZSA-N 1 0 371.393 2.185 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000367648274 556104556 /nfs/dbraw/zinc/10/45/56/556104556.db2.gz GVRLHUCEJJHCRS-AGUYFDCRSA-N 1 0 355.398 2.265 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000367648243 556104579 /nfs/dbraw/zinc/10/45/79/556104579.db2.gz GQFAIHUNYZQEGQ-WMZOPIPTSA-N 1 0 355.398 2.124 20 5 FEBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367938239 556177616 /nfs/dbraw/zinc/17/76/16/556177616.db2.gz JTZKFQLDLVNBRZ-INIZCTEOSA-N 1 0 360.458 2.261 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]2[C@H]1c1ccccc1 ZINC000368472161 556319892 /nfs/dbraw/zinc/31/98/92/556319892.db2.gz ZBVVLVHSGOGMGA-ZRGWGRIASA-N 1 0 364.409 2.377 20 5 FEBDRO Cc1c(CC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000368570642 556349414 /nfs/dbraw/zinc/34/94/14/556349414.db2.gz XQVIHIAGNRZWON-SJLPKXTDSA-N 1 0 361.442 2.063 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000515474179 562011993 /nfs/dbraw/zinc/01/19/93/562011993.db2.gz IKYJSQHTNBQLMT-UHFFFAOYSA-N 1 0 360.256 2.048 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000368821042 556422308 /nfs/dbraw/zinc/42/23/08/556422308.db2.gz AGWSNOZDZKPBEU-JUWLWVHDSA-N 1 0 359.426 2.056 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000369004663 556473490 /nfs/dbraw/zinc/47/34/90/556473490.db2.gz QWQSLCSAQANGGK-WFASDCNBSA-N 1 0 350.375 2.416 20 5 FEBDRO Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007041 556474055 /nfs/dbraw/zinc/47/40/55/556474055.db2.gz BTSFNULYDLNHKA-NVXWUHKLSA-N 1 0 360.414 2.177 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369069006 556496628 /nfs/dbraw/zinc/49/66/28/556496628.db2.gz YCLWCANHCOPYKN-HNNXBMFYSA-N 1 0 374.441 2.222 20 5 FEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229928 556542512 /nfs/dbraw/zinc/54/25/12/556542512.db2.gz UJCRFVJGPITGHD-FUHWJXTLSA-N 1 0 360.414 2.295 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000369412118 556594876 /nfs/dbraw/zinc/59/48/76/556594876.db2.gz PAULZJDCFOLTQZ-INIZCTEOSA-N 1 0 352.866 2.460 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369531001 556622813 /nfs/dbraw/zinc/62/28/13/556622813.db2.gz JETBDOONRHTCHX-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369535342 556623632 /nfs/dbraw/zinc/62/36/32/556623632.db2.gz ACTSTPZYFAFMGU-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000516341255 562040228 /nfs/dbraw/zinc/04/02/28/562040228.db2.gz QBFHTRBJNPDATC-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1F ZINC000370409705 556864735 /nfs/dbraw/zinc/86/47/35/556864735.db2.gz IDYUQWSVZVYILD-KRWDZBQOSA-N 1 0 351.378 2.187 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000370724908 556950340 /nfs/dbraw/zinc/95/03/40/556950340.db2.gz NKQPOGLVPAPDLS-ZDUSSCGKSA-N 1 0 367.471 2.236 20 5 FEBDRO Cn1cc([C@H]2[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@@H+]2C)cn1 ZINC000370930374 557020290 /nfs/dbraw/zinc/02/02/90/557020290.db2.gz ZZEGLYNTAKSRLJ-DNVCBOLYSA-N 1 0 371.441 2.070 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517235584 562081605 /nfs/dbraw/zinc/08/16/05/562081605.db2.gz PCPJMGDXMSCBFX-NEPJUHHUSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371195972 557104144 /nfs/dbraw/zinc/10/41/44/557104144.db2.gz QMRRCNGCKDAFGV-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233242 557114513 /nfs/dbraw/zinc/11/45/13/557114513.db2.gz XKRSIZZAADFRPM-KBPBESRZSA-N 1 0 363.414 2.290 20 5 FEBDRO Cc1c(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cccc1[N+](=O)[O-] ZINC000371292243 557134311 /nfs/dbraw/zinc/13/43/11/557134311.db2.gz BHDPWKNCMMGCLV-CGTJXYLNSA-N 1 0 361.442 2.156 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000517595593 562093548 /nfs/dbraw/zinc/09/35/48/562093548.db2.gz BREWBIMWCBAEOT-CABCVRRESA-N 1 0 364.446 2.393 20 5 FEBDRO CCCc1n[nH]c(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000517625125 562094093 /nfs/dbraw/zinc/09/40/93/562094093.db2.gz MFOODSOWLSEBAY-UHFFFAOYSA-N 1 0 351.451 2.463 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@H]3CCCOC3)CC2)c1 ZINC000371647930 557249944 /nfs/dbraw/zinc/24/99/44/557249944.db2.gz VETLBCQNIMYCEI-FUHWJXTLSA-N 1 0 364.442 2.473 20 5 FEBDRO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000518519044 562113474 /nfs/dbraw/zinc/11/34/74/562113474.db2.gz LDQIJDPOZWEBLU-JKSUJKDBSA-N 1 0 351.447 2.045 20 5 FEBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000372026772 557359910 /nfs/dbraw/zinc/35/99/10/557359910.db2.gz RQJHQSXYFAQEPB-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372156396 557394594 /nfs/dbraw/zinc/39/45/94/557394594.db2.gz KHIOCXUHTLMPFA-ZIAGYGMSSA-N 1 0 363.414 2.290 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000518977287 562122387 /nfs/dbraw/zinc/12/23/87/562122387.db2.gz IEESXSBQOYQDBD-AEFFLSMTSA-N 1 0 361.442 2.272 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000519148667 562125911 /nfs/dbraw/zinc/12/59/11/562125911.db2.gz SZJQDYRXNQSEED-CQSZACIVSA-N 1 0 360.414 2.259 20 5 FEBDRO C[NH+]1CCC2(CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000372397923 557460925 /nfs/dbraw/zinc/46/09/25/557460925.db2.gz IIFIAKVWVPAGQN-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000372842257 557573448 /nfs/dbraw/zinc/57/34/48/557573448.db2.gz VWDNCDNHTGEVRW-ZBEGNZNMSA-N 1 0 358.427 2.804 20 5 FEBDRO COc1cccc2c1C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000519766087 562143231 /nfs/dbraw/zinc/14/32/31/562143231.db2.gz XUSZUMZSPGTPDB-GDBMZVCRSA-N 1 0 358.394 2.100 20 5 FEBDRO O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520222451 562150956 /nfs/dbraw/zinc/15/09/56/562150956.db2.gz JIEXJXJGPZLLFQ-SFHVURJKSA-N 1 0 373.384 2.365 20 5 FEBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000373528459 557711212 /nfs/dbraw/zinc/71/12/12/557711212.db2.gz IFAOFSAJJVJCCY-CQSZACIVSA-N 1 0 350.438 2.334 20 5 FEBDRO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581219 557722268 /nfs/dbraw/zinc/72/22/68/557722268.db2.gz DVBRGBZVKHTSIF-AEFFLSMTSA-N 1 0 374.441 2.485 20 5 FEBDRO O=C1O[C@H](C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586508 557723731 /nfs/dbraw/zinc/72/37/31/557723731.db2.gz SSYIBJMPESISCM-NVXWUHKLSA-N 1 0 371.397 2.454 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000373609109 557728746 /nfs/dbraw/zinc/72/87/46/557728746.db2.gz GBRDQLPUQAJKDB-AEFFLSMTSA-N 1 0 355.398 2.124 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1 ZINC000373806754 557763111 /nfs/dbraw/zinc/76/31/11/557763111.db2.gz OPJRVRXPISAOCW-RDTXWAMCSA-N 1 0 372.429 2.181 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000374180330 557838956 /nfs/dbraw/zinc/83/89/56/557838956.db2.gz ZRNPLWJSJFHDPX-SECBINFHSA-N 1 0 367.349 2.034 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000374319342 557864650 /nfs/dbraw/zinc/86/46/50/557864650.db2.gz XQBGOMLWAGOAKR-HOTGVXAUSA-N 1 0 355.394 2.188 20 5 FEBDRO C[N@@H+]1CCO[C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C[C@H]21 ZINC000521053380 562168553 /nfs/dbraw/zinc/16/85/53/562168553.db2.gz HHNDNNFXVFABJA-ZIAGYGMSSA-N 1 0 356.220 2.267 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000374398716 557878858 /nfs/dbraw/zinc/87/88/58/557878858.db2.gz LBCQKIYZIMQJBS-MELADBBJSA-N 1 0 363.414 2.289 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374433335 557883560 /nfs/dbraw/zinc/88/35/60/557883560.db2.gz AOYHVMYBUBVWOZ-LSDHHAIUSA-N 1 0 356.382 2.279 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000521068372 562169127 /nfs/dbraw/zinc/16/91/27/562169127.db2.gz WRXFJMCFDBFDOZ-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000374632993 557909537 /nfs/dbraw/zinc/90/95/37/557909537.db2.gz TVSACTSTCQBJOC-ARFHVFGLSA-N 1 0 358.442 2.394 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521174854 562170915 /nfs/dbraw/zinc/17/09/15/562170915.db2.gz PNQUHBGMFBPTEF-AWEZNQCLSA-N 1 0 350.419 2.277 20 5 FEBDRO CN(C)c1noc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000374910143 557950061 /nfs/dbraw/zinc/95/00/61/557950061.db2.gz JJHOFIOTYJBARJ-UHFFFAOYSA-N 1 0 361.402 2.302 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCCC3(CC[NH2+]CC3)C2)c1C ZINC000375270769 558002114 /nfs/dbraw/zinc/00/21/14/558002114.db2.gz WCAJTAPSSHARLF-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2C[C@H](C3CC3)N(Cc3ccccc3)C2)c1 ZINC000377411496 558335464 /nfs/dbraw/zinc/33/54/64/558335464.db2.gz LNFKTIQLXISASP-PKOBYXMFSA-N 1 0 355.442 2.434 20 5 FEBDRO CCCC(=O)N1CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000377445412 558342403 /nfs/dbraw/zinc/34/24/03/558342403.db2.gz QWXIGHDJYGZWPN-CQSZACIVSA-N 1 0 362.430 2.256 20 5 FEBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000377814389 558425573 /nfs/dbraw/zinc/42/55/73/558425573.db2.gz NQTBNXVBRXWIEF-ZMSDIMECSA-N 1 0 369.425 2.012 20 5 FEBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000523324029 562211084 /nfs/dbraw/zinc/21/10/84/562211084.db2.gz PPNWVWXBPAEGMK-UHFFFAOYSA-N 1 0 361.402 2.199 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000378365095 558539692 /nfs/dbraw/zinc/53/96/92/558539692.db2.gz HUHJBWBVGRJFLA-KRWDZBQOSA-N 1 0 374.485 2.372 20 5 FEBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000523748853 562219118 /nfs/dbraw/zinc/21/91/18/562219118.db2.gz UBYLKBXQBKRJTK-UHFFFAOYSA-N 1 0 357.432 2.002 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]1CC[NH3+] ZINC000405348025 558632312 /nfs/dbraw/zinc/63/23/12/558632312.db2.gz MBSULRSXAVRNQS-GWCFXTLKSA-N 1 0 361.851 2.386 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182442 558654699 /nfs/dbraw/zinc/65/46/99/558654699.db2.gz KRVWHBQBBWHGCU-PBHICJAKSA-N 1 0 358.442 2.043 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000408337381 558667799 /nfs/dbraw/zinc/66/77/99/558667799.db2.gz UNNKKQGLKAOCCK-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO COc1ccc(CSCC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524775172 562234433 /nfs/dbraw/zinc/23/44/33/562234433.db2.gz UHPZWFCBKMFBAL-CYBMUJFWSA-N 1 0 367.471 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000524872546 562236582 /nfs/dbraw/zinc/23/65/82/562236582.db2.gz NOTFPRMCYJNFNF-STQMWFEESA-N 1 0 371.459 2.097 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525104999 562240570 /nfs/dbraw/zinc/24/05/70/562240570.db2.gz VCHAPVNQXXSJQC-NEPJUHHUSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000411135513 558843306 /nfs/dbraw/zinc/84/33/06/558843306.db2.gz NHJLORSXHVLBOO-UHFFFAOYSA-N 1 0 370.409 2.220 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000411166220 558847431 /nfs/dbraw/zinc/84/74/31/558847431.db2.gz JUCRZSQCHDZFEW-UHFFFAOYSA-N 1 0 374.441 2.237 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000411473574 558901030 /nfs/dbraw/zinc/90/10/30/558901030.db2.gz OZRKWIGPIJBIEU-NWDGAFQWSA-N 1 0 351.378 2.028 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000411502515 558906664 /nfs/dbraw/zinc/90/66/64/558906664.db2.gz UGSKKKQQELMAOW-UHFFFAOYSA-N 1 0 374.441 2.283 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000411583780 558922899 /nfs/dbraw/zinc/92/28/99/558922899.db2.gz AHVKLEXAQBQZPN-UHFFFAOYSA-N 1 0 362.430 2.141 20 5 FEBDRO Cn1ncc2c1CCC[N@H+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000411842662 558974532 /nfs/dbraw/zinc/97/45/32/558974532.db2.gz AKVDIDPLTALCLS-UHFFFAOYSA-N 1 0 371.397 2.075 20 5 FEBDRO CO[C@](C)([C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411965810 558996622 /nfs/dbraw/zinc/99/66/22/558996622.db2.gz FZJWPHNXLYZNRD-BLLLJJGKSA-N 1 0 356.444 2.162 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413145336 559082781 /nfs/dbraw/zinc/08/27/81/559082781.db2.gz ZSAROJPLVAWMJI-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413252978 559092239 /nfs/dbraw/zinc/09/22/39/559092239.db2.gz TYFVZNMHMQTASU-SFHVURJKSA-N 1 0 360.389 2.202 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000413503552 559112461 /nfs/dbraw/zinc/11/24/61/559112461.db2.gz PDNIICPCZCVFHR-GXTWGEPZSA-N 1 0 367.421 2.474 20 5 FEBDRO Cc1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000413552144 559116046 /nfs/dbraw/zinc/11/60/46/559116046.db2.gz MZFQSPSFXSPWML-UHFFFAOYSA-N 1 0 357.414 2.132 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1F ZINC000413671896 559123923 /nfs/dbraw/zinc/12/39/23/559123923.db2.gz QARDASLGZWADSQ-GFCCVEGCSA-N 1 0 367.421 2.474 20 5 FEBDRO CC(C)(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)S(C)(=O)=O ZINC000414516039 559169670 /nfs/dbraw/zinc/16/96/70/559169670.db2.gz NOFNUIQPRYMRQU-UHFFFAOYSA-N 1 0 366.386 2.499 20 5 FEBDRO Cc1c(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000414716586 559181744 /nfs/dbraw/zinc/18/17/44/559181744.db2.gz XAZCTXLEVCAYLT-UHFFFAOYSA-N 1 0 361.446 2.241 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000415236146 559217087 /nfs/dbraw/zinc/21/70/87/559217087.db2.gz XQPBOIRPCUZUFM-CYBMUJFWSA-N 1 0 370.409 2.254 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000415632090 559256816 /nfs/dbraw/zinc/25/68/16/559256816.db2.gz NVETUKHZPABFFV-UHFFFAOYSA-N 1 0 365.409 2.072 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]C1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415700530 559263403 /nfs/dbraw/zinc/26/34/03/559263403.db2.gz MOSAHIZEMHZQIO-VIFPVBQESA-N 1 0 357.208 2.478 20 5 FEBDRO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415701751 559263544 /nfs/dbraw/zinc/26/35/44/559263544.db2.gz OOXYPAVTFOQALW-ZJUUUORDSA-N 1 0 369.219 2.431 20 5 FEBDRO CN(C)c1nc2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc2[nH]1 ZINC000416220346 559299208 /nfs/dbraw/zinc/29/92/08/559299208.db2.gz JNGMKUXTRVEATK-UHFFFAOYSA-N 1 0 357.374 2.107 20 5 FEBDRO COc1ccc(CSCC(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416299875 559303823 /nfs/dbraw/zinc/30/38/23/559303823.db2.gz HHWYQGRSZKJBOS-UHFFFAOYSA-N 1 0 353.444 2.047 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416397249 559310061 /nfs/dbraw/zinc/31/00/61/559310061.db2.gz ILTITWWYXQNJGA-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000416503569 559318235 /nfs/dbraw/zinc/31/82/35/559318235.db2.gz VXICFXZFNCQGFT-UHFFFAOYSA-N 1 0 355.460 2.310 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416550681 559321121 /nfs/dbraw/zinc/32/11/21/559321121.db2.gz FXPXIUQKVDCNPZ-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H](C[NH3+])N(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416895597 559336979 /nfs/dbraw/zinc/33/69/79/559336979.db2.gz UQPUQTXEOGYGMJ-VIFPVBQESA-N 1 0 363.340 2.014 20 5 FEBDRO C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417136899 559349589 /nfs/dbraw/zinc/34/95/89/559349589.db2.gz LMKOKKSGYVPNMD-VUCTXSBTSA-N 1 0 362.430 2.194 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417172957 559351297 /nfs/dbraw/zinc/35/12/97/559351297.db2.gz GOHMIIJCXZUXDB-UONOGXRCSA-N 1 0 362.430 2.135 20 5 FEBDRO CO[C@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417718200 559373870 /nfs/dbraw/zinc/37/38/70/559373870.db2.gz NXUZJYUMNNZKQS-IRXDYDNUSA-N 1 0 364.446 2.065 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[C@H]1CCC[NH2+]C1 ZINC000417981436 559384816 /nfs/dbraw/zinc/38/48/16/559384816.db2.gz COBYQHOGPMNXMP-GFCCVEGCSA-N 1 0 354.838 2.480 20 5 FEBDRO C[C@@]1(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000417986301 559385250 /nfs/dbraw/zinc/38/52/50/559385250.db2.gz ICMXHKXHMNTIOT-MRXNPFEDSA-N 1 0 354.838 2.480 20 5 FEBDRO C[C@H](NC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000418002621 559386122 /nfs/dbraw/zinc/38/61/22/559386122.db2.gz YYGFLSVYAPGWEF-AAEUAGOBSA-N 1 0 354.838 2.478 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418087245 559389723 /nfs/dbraw/zinc/38/97/23/559389723.db2.gz GNULKRGGGJOPEU-NWDGAFQWSA-N 1 0 372.347 2.365 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418573840 559406720 /nfs/dbraw/zinc/40/67/20/559406720.db2.gz LQTBNCSFRACVFG-GUYCJALGSA-N 1 0 362.430 2.146 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000418603263 559407575 /nfs/dbraw/zinc/40/75/75/559407575.db2.gz WLUJVNGVOWTPJN-CXAGYDPISA-N 1 0 362.430 2.146 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420275091 559478333 /nfs/dbraw/zinc/47/83/33/559478333.db2.gz GCSWUUDVNHNIFQ-YGRLFVJLSA-N 1 0 360.336 2.341 20 5 FEBDRO COc1ccc(NC(=O)CCN2CCCC[C@H]2[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000420279902 559478588 /nfs/dbraw/zinc/47/85/88/559478588.db2.gz XRJSHEHQOKYRDN-DOMZBBRYSA-N 1 0 350.419 2.134 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CN)C1CCCCC1 ZINC000420363239 559483230 /nfs/dbraw/zinc/48/32/30/559483230.db2.gz JCCPYRXTTVSLII-INIZCTEOSA-N 1 0 364.446 2.429 20 5 FEBDRO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420928790 559511883 /nfs/dbraw/zinc/51/18/83/559511883.db2.gz PUOVQAAMBXNLTN-UKRRQHHQSA-N 1 0 365.430 2.199 20 5 FEBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421348695 559539747 /nfs/dbraw/zinc/53/97/47/559539747.db2.gz GROMPAWWXDGNFM-ZQIUZPCESA-N 1 0 371.441 2.299 20 5 FEBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCO1 ZINC000421369424 559540337 /nfs/dbraw/zinc/54/03/37/559540337.db2.gz BEOJWAGMMRAZHT-KBPBESRZSA-N 1 0 352.387 2.194 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421701460 559549894 /nfs/dbraw/zinc/54/98/94/559549894.db2.gz HREVYWDWOHBTHV-AWEZNQCLSA-N 1 0 367.471 2.389 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000422007162 559560130 /nfs/dbraw/zinc/56/01/30/559560130.db2.gz MZIHVIZUVNOUSK-UHFFFAOYSA-N 1 0 366.487 2.289 20 5 FEBDRO C[C@@H]1C[C@H](C)N(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422550216 559594542 /nfs/dbraw/zinc/59/45/42/559594542.db2.gz AQLXASAPPXWAOY-OUAUKWLOSA-N 1 0 361.851 2.242 20 5 FEBDRO Cn1ccnc1[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423489414 559630122 /nfs/dbraw/zinc/63/01/22/559630122.db2.gz WLQJUHZBYJXOGE-UONOGXRCSA-N 1 0 351.357 2.005 20 5 FEBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423608208 559633766 /nfs/dbraw/zinc/63/37/66/559633766.db2.gz KJXRGCQMZZUTRI-GJZGRUSLSA-N 1 0 357.414 2.130 20 5 FEBDRO [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423618410 559633995 /nfs/dbraw/zinc/63/39/95/559633995.db2.gz WVUVKFCYFQOZDK-GDBMZVCRSA-N 1 0 357.414 2.130 20 5 FEBDRO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423618419 559634013 /nfs/dbraw/zinc/63/40/13/559634013.db2.gz WVUVKFCYFQOZDK-HOCLYGCPSA-N 1 0 357.414 2.130 20 5 FEBDRO COc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000423714607 559636826 /nfs/dbraw/zinc/63/68/26/559636826.db2.gz XXXOFQVTLSZFAI-UHFFFAOYSA-N 1 0 359.329 2.029 20 5 FEBDRO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000423980612 559648769 /nfs/dbraw/zinc/64/87/69/559648769.db2.gz FAJOSJGJADDFRU-YMTOWFKASA-N 1 0 356.220 2.414 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1SC ZINC000423980673 559648794 /nfs/dbraw/zinc/64/87/94/559648794.db2.gz FFEKWXJWRNTMSG-QLJPJBMISA-N 1 0 353.444 2.382 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000423999794 559650018 /nfs/dbraw/zinc/65/00/18/559650018.db2.gz BFZRJNSGBOQQPW-OAHLLOKOSA-N 1 0 372.429 2.048 20 5 FEBDRO C[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000424020024 559651469 /nfs/dbraw/zinc/65/14/69/559651469.db2.gz SDZYJBYJYLLEKW-VXGBXAGGSA-N 1 0 355.822 2.460 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424391455 559662707 /nfs/dbraw/zinc/66/27/07/559662707.db2.gz NBMZPWVJDGPHGQ-ZDUSSCGKSA-N 1 0 353.444 2.056 20 5 FEBDRO C[NH+](C)C1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CCCCCC1 ZINC000427504424 559756825 /nfs/dbraw/zinc/75/68/25/559756825.db2.gz JWCUIUJWAYZTLX-UHFFFAOYSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000429511583 559800223 /nfs/dbraw/zinc/80/02/23/559800223.db2.gz WKJXIOPJJZCEJK-GFCCVEGCSA-N 1 0 371.393 2.245 20 5 FEBDRO C[N@H+](CCCNC(=O)C1CCC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429543655 559800838 /nfs/dbraw/zinc/80/08/38/559800838.db2.gz XUROMUKIRNCJKP-UHFFFAOYSA-N 1 0 362.430 2.162 20 5 FEBDRO Cc1c(NC(=O)[C@@H](C)N2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430592190 559823997 /nfs/dbraw/zinc/82/39/97/559823997.db2.gz LXNSQGFVVILMLD-CQSZACIVSA-N 1 0 364.446 2.060 20 5 FEBDRO O=C1[C@@H](N2CC[NH2+]Cc3ccccc32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430918244 559830204 /nfs/dbraw/zinc/83/02/04/559830204.db2.gz MEHKSQFWVXCYHB-SFHVURJKSA-N 1 0 352.394 2.310 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433315176 559876728 /nfs/dbraw/zinc/87/67/28/559876728.db2.gz AUKADVKRFSWTIR-INIZCTEOSA-N 1 0 361.398 2.272 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000434028531 559892757 /nfs/dbraw/zinc/89/27/57/559892757.db2.gz UWNFMJGPGHIECD-CYBMUJFWSA-N 1 0 367.450 2.014 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434348726 559898378 /nfs/dbraw/zinc/89/83/78/559898378.db2.gz DHJJSSAWQZXUCZ-MRXNPFEDSA-N 1 0 374.441 2.384 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000440079750 560004409 /nfs/dbraw/zinc/00/44/09/560004409.db2.gz PHCIBNFWRKFEEV-KRWDZBQOSA-N 1 0 371.503 2.423 20 5 FEBDRO CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000441095437 560023711 /nfs/dbraw/zinc/02/37/11/560023711.db2.gz RCKNDMDICHUVBR-QWRGUYRKSA-N 1 0 368.821 2.128 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229172 560026718 /nfs/dbraw/zinc/02/67/18/560026718.db2.gz OIVIPDFREYOVGM-CVEARBPZSA-N 1 0 359.426 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443331969 560080596 /nfs/dbraw/zinc/08/05/96/560080596.db2.gz WUXDLOYWSJCSEZ-ZENOOKHLSA-N 1 0 365.430 2.413 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000444605074 560116594 /nfs/dbraw/zinc/11/65/94/560116594.db2.gz BKZPLAZNCXRSFC-UHFFFAOYSA-N 1 0 372.429 2.027 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000448601219 560192047 /nfs/dbraw/zinc/19/20/47/560192047.db2.gz QUNAIWPATLIWRU-UHFFFAOYSA-N 1 0 357.414 2.399 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448907460 560206018 /nfs/dbraw/zinc/20/60/18/560206018.db2.gz CMIRJNJAIIKQON-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO Cc1cccc(CC[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449097431 560215602 /nfs/dbraw/zinc/21/56/02/560215602.db2.gz DGTJFHQJCYXWJH-UHFFFAOYSA-N 1 0 363.439 2.014 20 5 FEBDRO O=c1ccc(Br)cn1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449379006 560228003 /nfs/dbraw/zinc/22/80/03/560228003.db2.gz SEJKTHJAWNXUCO-UHFFFAOYSA-N 1 0 358.217 2.370 20 5 FEBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449614499 560234929 /nfs/dbraw/zinc/23/49/29/560234929.db2.gz HKVQRKIFQWDTLI-JPZVUWATSA-N 1 0 355.398 2.026 20 5 FEBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000449708522 560237774 /nfs/dbraw/zinc/23/77/74/560237774.db2.gz VLPMWSTZSDGZHR-CYBMUJFWSA-N 1 0 370.247 2.404 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450022135 560248239 /nfs/dbraw/zinc/24/82/39/560248239.db2.gz KCRUDKMOJXOWLN-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@@H+]1C1CC1 ZINC000450071312 560249895 /nfs/dbraw/zinc/24/98/95/560249895.db2.gz BBRQMQCOHBILMT-TZMCWYRMSA-N 1 0 355.398 2.136 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@@H+]1C1CC1 ZINC000450137427 560251773 /nfs/dbraw/zinc/25/17/73/560251773.db2.gz RYHQRFBMQIURQV-AAEUAGOBSA-N 1 0 355.398 2.340 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1C ZINC000450314876 560258058 /nfs/dbraw/zinc/25/80/58/560258058.db2.gz CJSVZBATSIUVPT-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451097909 560287014 /nfs/dbraw/zinc/28/70/14/560287014.db2.gz GGQCPBDSYNELDU-BBRMVZONSA-N 1 0 363.414 2.190 20 5 FEBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142692 560289403 /nfs/dbraw/zinc/28/94/03/560289403.db2.gz GMYBTTQMZZLXLE-WGBDABJCSA-N 1 0 350.341 2.204 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489023 560310076 /nfs/dbraw/zinc/31/00/76/560310076.db2.gz JWNXWJZOOYIBOA-CSMYWGQOSA-N 1 0 361.398 2.089 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])c1 ZINC000451496058 560310305 /nfs/dbraw/zinc/31/03/05/560310305.db2.gz LQQKMDJKLLGMHE-HUUCEWRRSA-N 1 0 351.403 2.335 20 5 FEBDRO CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548016 560313790 /nfs/dbraw/zinc/31/37/90/560313790.db2.gz LYOSBYOHTZSULR-SJLPKXTDSA-N 1 0 374.485 2.327 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451782415 560328240 /nfs/dbraw/zinc/32/82/40/560328240.db2.gz QSPALMZCSRBXOH-CYBMUJFWSA-N 1 0 353.419 2.271 20 5 FEBDRO CO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826202 560330941 /nfs/dbraw/zinc/33/09/41/560330941.db2.gz FENYPTNHAAPOGG-DJIMGWMZSA-N 1 0 350.415 2.224 20 5 FEBDRO CO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845655 560332003 /nfs/dbraw/zinc/33/20/03/560332003.db2.gz ITQOLMIEAJCNRA-RRQGHBQHSA-N 1 0 350.415 2.224 20 5 FEBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000451885303 560334616 /nfs/dbraw/zinc/33/46/16/560334616.db2.gz FDZVDTOFVRGHEG-RYUDHWBXSA-N 1 0 361.402 2.498 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)CCN1 ZINC000451916400 560337112 /nfs/dbraw/zinc/33/71/12/560337112.db2.gz KWRHEWGFTKVLDT-ZDUSSCGKSA-N 1 0 366.849 2.035 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452015581 560345609 /nfs/dbraw/zinc/34/56/09/560345609.db2.gz MLZVUNDCZLCRDS-NORZTCDRSA-N 1 0 351.403 2.478 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452108842 560351743 /nfs/dbraw/zinc/35/17/43/560351743.db2.gz WLFJWYVKEVPQTK-OAHLLOKOSA-N 1 0 355.460 2.260 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000452732782 560372423 /nfs/dbraw/zinc/37/24/23/560372423.db2.gz QYQJAXNNAPLLTE-UHFFFAOYSA-N 1 0 357.414 2.113 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453141045 560383739 /nfs/dbraw/zinc/38/37/39/560383739.db2.gz JBWOTLSUUSJLKH-INIZCTEOSA-N 1 0 353.444 2.041 20 5 FEBDRO CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453987993 560419856 /nfs/dbraw/zinc/41/98/56/560419856.db2.gz ZLDRHJUNYCMXEV-CQSZACIVSA-N 1 0 362.430 2.093 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000454144571 560432150 /nfs/dbraw/zinc/43/21/50/560432150.db2.gz KDDOOIQFKDPPLZ-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO CNc1nc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000455103362 560470350 /nfs/dbraw/zinc/47/03/50/560470350.db2.gz JTOYBKSTOOMMIO-UHFFFAOYSA-N 1 0 361.446 2.370 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455145235 560471666 /nfs/dbraw/zinc/47/16/66/560471666.db2.gz RJROQZQVTAOIJP-CQSZACIVSA-N 1 0 350.419 2.180 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455458566 560483121 /nfs/dbraw/zinc/48/31/21/560483121.db2.gz DUUMUIKXMIEKRP-HNNXBMFYSA-N 1 0 350.419 2.126 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000455502269 560484890 /nfs/dbraw/zinc/48/48/90/560484890.db2.gz LMZDNJWSYYKXQW-UHFFFAOYSA-N 1 0 361.446 2.323 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455603021 560488753 /nfs/dbraw/zinc/48/87/53/560488753.db2.gz OBYPCSSMDXJJTC-ZDUSSCGKSA-N 1 0 357.414 2.282 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000456530657 560523534 /nfs/dbraw/zinc/52/35/34/560523534.db2.gz MZYYQDAIBWPNEX-ZDUSSCGKSA-N 1 0 367.471 2.236 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc([N+](=O)[O-])c1 ZINC000456554467 560524133 /nfs/dbraw/zinc/52/41/33/560524133.db2.gz OVXKMRDWIUHLET-ZDUSSCGKSA-N 1 0 363.414 2.328 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457109546 560549577 /nfs/dbraw/zinc/54/95/77/560549577.db2.gz HDMLSKCUYYNNCK-MRXNPFEDSA-N 1 0 357.414 2.335 20 5 FEBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457356713 560563649 /nfs/dbraw/zinc/56/36/49/560563649.db2.gz GRGYTOPPMKGTPP-NOZJJQNGSA-N 1 0 356.220 2.238 20 5 FEBDRO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000457388226 560564744 /nfs/dbraw/zinc/56/47/44/560564744.db2.gz YZQHTGLSEKMNFW-MNOVXSKESA-N 1 0 355.847 2.408 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000457919276 560594074 /nfs/dbraw/zinc/59/40/74/560594074.db2.gz HZGQRMIKUCEHGI-AWEZNQCLSA-N 1 0 350.419 2.229 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000458219060 560609800 /nfs/dbraw/zinc/60/98/00/560609800.db2.gz XYCYVAGFKWCNPL-ZDUSSCGKSA-N 1 0 357.414 2.447 20 5 FEBDRO C[NH+](C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000465696433 560871225 /nfs/dbraw/zinc/87/12/25/560871225.db2.gz UMRNAJJKFIXUSZ-UHFFFAOYSA-N 1 0 368.437 2.493 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468320770 560926994 /nfs/dbraw/zinc/92/69/94/560926994.db2.gz AOVNKKSCPSAJCC-HNNXBMFYSA-N 1 0 362.430 2.242 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000468475183 560931054 /nfs/dbraw/zinc/93/10/54/560931054.db2.gz MUIQGRNQQONKPS-OAHLLOKOSA-N 1 0 363.414 2.232 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2N)Cc2ccccc2C1 ZINC000468741877 560937626 /nfs/dbraw/zinc/93/76/26/560937626.db2.gz DRAZADQISXTHAX-UHFFFAOYSA-N 1 0 354.410 2.006 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470124439 560974843 /nfs/dbraw/zinc/97/48/43/560974843.db2.gz HVHCFOABUGFYFQ-UHFFFAOYSA-N 1 0 354.382 2.356 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616747 560985998 /nfs/dbraw/zinc/98/59/98/560985998.db2.gz DYXGSTZQQZLVDD-XQQFMLRXSA-N 1 0 373.450 2.379 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000471544254 561006807 /nfs/dbraw/zinc/00/68/07/561006807.db2.gz YZPIZAJFEDSCTD-OAHLLOKOSA-N 1 0 365.430 2.176 20 5 FEBDRO C[NH+](C)C[C@@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000472537410 561028832 /nfs/dbraw/zinc/02/88/32/561028832.db2.gz GVQWCINKRKPYEW-MRXNPFEDSA-N 1 0 374.372 2.092 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1[N+](=O)[O-] ZINC000473990728 561062979 /nfs/dbraw/zinc/06/29/79/561062979.db2.gz AKPISTJTQIUOJJ-HIFRSBDPSA-N 1 0 352.387 2.051 20 5 FEBDRO Cn1c(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000474308597 561070973 /nfs/dbraw/zinc/07/09/73/561070973.db2.gz UTNRYPVRZZMBHM-FZMZJTMJSA-N 1 0 364.352 2.087 20 5 FEBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)c1ccsc1 ZINC000476085329 561111083 /nfs/dbraw/zinc/11/10/83/561111083.db2.gz RDPNYQIBRPQSRP-CYBMUJFWSA-N 1 0 351.432 2.203 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000476449349 561119675 /nfs/dbraw/zinc/11/96/75/561119675.db2.gz OJKKRMNXKGLIEV-KRWDZBQOSA-N 1 0 361.442 2.484 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530386900 562409381 /nfs/dbraw/zinc/40/93/81/562409381.db2.gz OCGLZOATSOEDNB-RYUDHWBXSA-N 1 0 352.387 2.192 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000530670503 562420011 /nfs/dbraw/zinc/42/00/11/562420011.db2.gz CTUHPTGEDLNKMR-UHFFFAOYSA-N 1 0 369.425 2.177 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000531540401 562449132 /nfs/dbraw/zinc/44/91/32/562449132.db2.gz MCEKJPXXWQVDBE-ZDUSSCGKSA-N 1 0 363.414 2.074 20 5 FEBDRO COCC[N@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531883193 562459910 /nfs/dbraw/zinc/45/99/10/562459910.db2.gz CKIDXPRXUHRXMN-QGZVFWFLSA-N 1 0 372.425 2.429 20 5 FEBDRO O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532392047 562476195 /nfs/dbraw/zinc/47/61/95/562476195.db2.gz MMXKEEPQVVBXLO-UHFFFAOYSA-N 1 0 370.409 2.394 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000533309688 562504877 /nfs/dbraw/zinc/50/48/77/562504877.db2.gz VAFIFZSWMLAAOI-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cccc(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000534139002 562526391 /nfs/dbraw/zinc/52/63/91/562526391.db2.gz YAQNRZDMEXLSEE-MRXNPFEDSA-N 1 0 357.410 2.472 20 5 FEBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000541602786 562616360 /nfs/dbraw/zinc/61/63/60/562616360.db2.gz XBYMZSJXFCCGET-WBVHZDCISA-N 1 0 362.430 2.426 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000541648015 562617134 /nfs/dbraw/zinc/61/71/34/562617134.db2.gz IGQINYGJQDJZCR-STQMWFEESA-N 1 0 351.403 2.337 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000546164230 562634555 /nfs/dbraw/zinc/63/45/55/562634555.db2.gz CLYKGEYUVBGWCJ-DAXOMENPSA-N 1 0 351.403 2.096 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cn1 ZINC000602574992 567996532 /nfs/dbraw/zinc/99/65/32/567996532.db2.gz DGNJNISNNUSVNR-MRXNPFEDSA-N 1 0 368.441 2.222 20 5 FEBDRO O=c1ccc(Br)cn1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602672729 568008464 /nfs/dbraw/zinc/00/84/64/568008464.db2.gz GTESIXZEWNVIRB-UHFFFAOYSA-N 1 0 366.215 2.351 20 5 FEBDRO CN(CCCC[NH+]1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603417313 568098683 /nfs/dbraw/zinc/09/86/83/568098683.db2.gz DGDHNKVLANOLLM-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO CCC[C@H](O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568685791 568122571 /nfs/dbraw/zinc/12/25/71/568122571.db2.gz FQKMWKKVBIXHAA-LBPRGKRZSA-N 1 0 364.183 2.450 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000568840935 568232231 /nfs/dbraw/zinc/23/22/31/568232231.db2.gz NAJLXLOPNXYKMJ-YGRLFVJLSA-N 1 0 373.331 2.312 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(CCO)CCCCC1 ZINC000569003510 568263369 /nfs/dbraw/zinc/26/33/69/568263369.db2.gz OCTBPJVWSSNENB-OAHLLOKOSA-N 1 0 352.431 2.257 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)c1ccccc1C ZINC000541981282 568277091 /nfs/dbraw/zinc/27/70/91/568277091.db2.gz PZEUVFNPFBRVMB-MRXNPFEDSA-N 1 0 359.382 2.174 20 5 FEBDRO CN(CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000569127512 568285275 /nfs/dbraw/zinc/28/52/75/568285275.db2.gz BAIPGBKRPIRHKS-UHFFFAOYSA-N 1 0 368.437 2.489 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000570452459 568477400 /nfs/dbraw/zinc/47/74/00/568477400.db2.gz UAGZKQUGXYNDGH-JKSUJKDBSA-N 1 0 371.441 2.141 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)n1 ZINC000570602755 568490270 /nfs/dbraw/zinc/49/02/70/568490270.db2.gz BXQBYMXHRTWMLA-UHFFFAOYSA-N 1 0 372.385 2.469 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000738358075 598469005 /nfs/dbraw/zinc/46/90/05/598469005.db2.gz KPONWRZFCFVSAJ-CQSZACIVSA-N 1 0 357.418 2.230 20 5 FEBDRO C[C@H](CC[NH+](C)C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820243073 599500539 /nfs/dbraw/zinc/50/05/39/599500539.db2.gz UYTXBCUOXCRZCH-SNVBAGLBSA-N 1 0 356.390 2.075 20 5 FEBDRO O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000809806768 674510811 /nfs/dbraw/zinc/51/08/11/674510811.db2.gz TVKUOJHXUONNPY-UHFFFAOYSA-N 1 0 365.814 2.152 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000825849725 608376743 /nfs/dbraw/zinc/37/67/43/608376743.db2.gz LXOICJXVMPTIPR-OAHLLOKOSA-N 1 0 368.401 2.075 20 5 FEBDRO Cc1sccc1CN(CC[NH3+])c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000560524351 674597619 /nfs/dbraw/zinc/59/76/19/674597619.db2.gz ZOFBYZKXQJRYKQ-UHFFFAOYSA-N 1 0 369.468 2.334 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812235 674630046 /nfs/dbraw/zinc/63/00/46/674630046.db2.gz PAXSTDTUCXAJPC-CABZTGNLSA-N 1 0 350.375 2.341 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000561748481 674695766 /nfs/dbraw/zinc/69/57/66/674695766.db2.gz LUSMAVPXPFPNKG-ZDUSSCGKSA-N 1 0 354.428 2.379 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1SC ZINC000564836169 675066353 /nfs/dbraw/zinc/06/63/53/675066353.db2.gz JUHYRIFBAZLYFT-INIZCTEOSA-N 1 0 353.444 2.445 20 5 FEBDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750303 675077815 /nfs/dbraw/zinc/07/78/15/675077815.db2.gz LDLOYDINFHOUKB-GJZGRUSLSA-N 1 0 353.806 2.183 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000564953717 675081235 /nfs/dbraw/zinc/08/12/35/675081235.db2.gz GNMROLTUZKYVGN-SNVBAGLBSA-N 1 0 364.146 2.084 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000816839226 675082296 /nfs/dbraw/zinc/08/22/96/675082296.db2.gz YDYKWLWOJVPYHC-RYUDHWBXSA-N 1 0 355.822 2.477 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](C2CCOCC2)CC1 ZINC000816942887 675088999 /nfs/dbraw/zinc/08/89/99/675088999.db2.gz DPQHOKAVSSKZNK-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO COc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000565237495 675104886 /nfs/dbraw/zinc/10/48/86/675104886.db2.gz RJJPIUHPVNDLJP-CYBMUJFWSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078722220 670592500 /nfs/dbraw/zinc/59/25/00/670592500.db2.gz DLODGRCOQNXKQK-NSHDSACASA-N 1 0 368.821 2.177 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113198632 670881259 /nfs/dbraw/zinc/88/12/59/670881259.db2.gz LATLECNAOVBVBR-ZDUSSCGKSA-N 1 0 350.375 2.497 20 5 FEBDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573237903 671098403 /nfs/dbraw/zinc/09/84/03/671098403.db2.gz DNNIGBUGUTXHFR-CQSZACIVSA-N 1 0 358.320 2.269 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000817879820 675184768 /nfs/dbraw/zinc/18/47/68/675184768.db2.gz GTJWBKAFXLSCDJ-LLVKDONJSA-N 1 0 352.822 2.403 20 5 FEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H](C[NH3+])C1CC1 ZINC000818005837 675190000 /nfs/dbraw/zinc/19/00/00/675190000.db2.gz VJTJKMWBVDUGCS-NSHDSACASA-N 1 0 360.183 2.306 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812488 675904513 /nfs/dbraw/zinc/90/45/13/675904513.db2.gz QRQZGBUUFPCCMD-CHWSQXEVSA-N 1 0 351.451 2.035 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000577503769 671600757 /nfs/dbraw/zinc/60/07/57/671600757.db2.gz BMIXQTQXTWOTHJ-OAHLLOKOSA-N 1 0 351.447 2.081 20 5 FEBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000580906130 671845142 /nfs/dbraw/zinc/84/51/42/671845142.db2.gz HJWTZUIHHOSHFS-RHSMWYFYSA-N 1 0 352.431 2.111 20 5 FEBDRO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000581724882 671930455 /nfs/dbraw/zinc/93/04/55/671930455.db2.gz FOUVQBDCCIMCFF-CYBMUJFWSA-N 1 0 363.805 2.299 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000582797421 672034961 /nfs/dbraw/zinc/03/49/61/672034961.db2.gz RLAGHXACTGDYBC-PHIMTYICSA-N 1 0 358.236 2.497 20 5 FEBDRO C[C@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC[NH2+]CC2 ZINC000583806835 672128107 /nfs/dbraw/zinc/12/81/07/672128107.db2.gz PDFOJHAYCPFMSB-NSHDSACASA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866932 672133440 /nfs/dbraw/zinc/13/34/40/672133440.db2.gz LYNSBTNAAPIQCJ-INMHGKMJSA-N 1 0 351.447 2.187 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171084631 672329257 /nfs/dbraw/zinc/32/92/57/672329257.db2.gz YRPKIBAYULGLST-CYBMUJFWSA-N 1 0 373.862 2.497 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000176657502 672375940 /nfs/dbraw/zinc/37/59/40/672375940.db2.gz LRRMAWDPERYPNO-UHFFFAOYSA-N 1 0 361.851 2.321 20 5 FEBDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590043743 672555334 /nfs/dbraw/zinc/55/53/34/672555334.db2.gz FLFNMYFYBYJWPG-IUODEOHRSA-N 1 0 358.423 2.494 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590045728 672556174 /nfs/dbraw/zinc/55/61/74/672556174.db2.gz TYWBXCJSCOJPSQ-SMDDNHRTSA-N 1 0 368.231 2.062 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000590165412 672562851 /nfs/dbraw/zinc/56/28/51/672562851.db2.gz RVAOPKKDJWDKPV-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590590633 672594004 /nfs/dbraw/zinc/59/40/04/672594004.db2.gz HGJRBNQNGFRSGE-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO COCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000590599628 672595784 /nfs/dbraw/zinc/59/57/84/672595784.db2.gz DASACAVROFRSRM-UHFFFAOYSA-N 1 0 351.403 2.017 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591356398 672675560 /nfs/dbraw/zinc/67/55/60/672675560.db2.gz PVJKIAAKTPYAJI-SMDDNHRTSA-N 1 0 352.822 2.184 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000591443719 672681370 /nfs/dbraw/zinc/68/13/70/672681370.db2.gz QVFMHHGAFVUJQD-RISCZKNCSA-N 1 0 371.235 2.085 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000591683420 672701254 /nfs/dbraw/zinc/70/12/54/672701254.db2.gz UZOKPYSFFZRYPI-LYOVBCGYSA-N 1 0 351.403 2.118 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194335959 672756664 /nfs/dbraw/zinc/75/66/64/672756664.db2.gz BOJPOWFFRISMAI-LBPRGKRZSA-N 1 0 359.423 2.277 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])[C@@H]1SC ZINC000592166737 672766008 /nfs/dbraw/zinc/76/60/08/672766008.db2.gz KMBYZEQQSAQDSB-WQVCFCJDSA-N 1 0 356.444 2.481 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C2CC2)C2CC[NH2+]CC2)c1 ZINC000592365230 672792182 /nfs/dbraw/zinc/79/21/82/672792182.db2.gz JRIFRJDSLCDIAK-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO C[C@H](CCO)C1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000592432552 672801537 /nfs/dbraw/zinc/80/15/37/672801537.db2.gz QOGQEZSWHIVOPC-CQSZACIVSA-N 1 0 370.471 2.147 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000592434736 672802183 /nfs/dbraw/zinc/80/21/83/672802183.db2.gz NZMZCCGEWNPSFQ-QWRGUYRKSA-N 1 0 363.336 2.337 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CCO2 ZINC000592898169 672852361 /nfs/dbraw/zinc/85/23/61/672852361.db2.gz DDBRYBSMLPXBCU-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000593070346 672871781 /nfs/dbraw/zinc/87/17/81/672871781.db2.gz WQIHGHPPKJAFJK-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000261551470 672899559 /nfs/dbraw/zinc/89/95/59/672899559.db2.gz VMKLDSCSCJDYMB-UHFFFAOYSA-N 1 0 367.402 2.274 20 5 FEBDRO CC(C)C[N@H+](C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000593479665 672929112 /nfs/dbraw/zinc/92/91/12/672929112.db2.gz HZFQOUCFOYWWIP-UHFFFAOYSA-N 1 0 372.491 2.235 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000270187181 672945247 /nfs/dbraw/zinc/94/52/47/672945247.db2.gz OAXFPKQSDHRPDI-AWEZNQCLSA-N 1 0 367.471 2.166 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000593918831 673008149 /nfs/dbraw/zinc/00/81/49/673008149.db2.gz KIVSLXOIUMSABC-FVQBIDKESA-N 1 0 351.378 2.235 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027225 673022418 /nfs/dbraw/zinc/02/24/18/673022418.db2.gz SSUYFQGKWYNEJL-GDBMZVCRSA-N 1 0 350.415 2.368 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000594101849 673031656 /nfs/dbraw/zinc/03/16/56/673031656.db2.gz BKTLKBZONYQPFO-JGZJWPJOSA-N 1 0 356.220 2.427 20 5 FEBDRO [NH3+]C[C@H](NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000594524393 673094981 /nfs/dbraw/zinc/09/49/81/673094981.db2.gz JHAYTPLZIQWGAB-AAEUAGOBSA-N 1 0 360.336 2.373 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594575969 673101449 /nfs/dbraw/zinc/10/14/49/673101449.db2.gz WFOVOCSPELVYQO-CABCVRRESA-N 1 0 350.415 2.416 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1C ZINC000594800033 673147119 /nfs/dbraw/zinc/14/71/19/673147119.db2.gz BBKNYBOBRBDYIJ-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594864209 673169909 /nfs/dbraw/zinc/16/99/09/673169909.db2.gz SMBYRJVOBQOANK-OAHLLOKOSA-N 1 0 369.487 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000595112995 673195308 /nfs/dbraw/zinc/19/53/08/673195308.db2.gz IRVAWDZFKYZLNQ-GFCCVEGCSA-N 1 0 359.473 2.057 20 5 FEBDRO [NH3+]C1(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCC1 ZINC000595120791 673197290 /nfs/dbraw/zinc/19/72/90/673197290.db2.gz VYNLSASLDVCICG-UHFFFAOYSA-N 1 0 367.349 2.163 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000595263323 673215271 /nfs/dbraw/zinc/21/52/71/673215271.db2.gz UKGHSRAFONZETN-CQSZACIVSA-N 1 0 351.451 2.378 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294904 673217779 /nfs/dbraw/zinc/21/77/79/673217779.db2.gz UHYSGJZAAUYCJR-TZMCWYRMSA-N 1 0 353.394 2.097 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000595382139 673238644 /nfs/dbraw/zinc/23/86/44/673238644.db2.gz QUDMSVNABCNDDA-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636416 673277094 /nfs/dbraw/zinc/27/70/94/673277094.db2.gz YWLQQASJROLMEJ-CORIIIEPSA-N 1 0 356.394 2.398 20 5 FEBDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595826949 673328266 /nfs/dbraw/zinc/32/82/66/673328266.db2.gz PWMBISMSWTYGRA-OAHLLOKOSA-N 1 0 350.419 2.051 20 5 FEBDRO NS(=O)(=O)c1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000596480160 673388757 /nfs/dbraw/zinc/38/87/57/673388757.db2.gz WMPFFEWXXJVRBY-LBPRGKRZSA-N 1 0 368.459 2.061 20 5 FEBDRO COc1ccc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000733868581 673441309 /nfs/dbraw/zinc/44/13/09/673441309.db2.gz NDBVKLHZEBFUEC-UHFFFAOYSA-N 1 0 365.411 2.466 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597090171 673445864 /nfs/dbraw/zinc/44/58/64/673445864.db2.gz ILSAFINTCCJDMN-TVQRCGJNSA-N 1 0 353.810 2.388 20 5 FEBDRO CS[C@@H]1CN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000539479471 673492417 /nfs/dbraw/zinc/49/24/17/673492417.db2.gz ICFPMYUMJXLIIC-DAXOMENPSA-N 1 0 366.487 2.208 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCOc2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000539523872 673494455 /nfs/dbraw/zinc/49/44/55/673494455.db2.gz HIQFOXGNJNRODF-GDBMZVCRSA-N 1 0 367.471 2.176 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348629 673535403 /nfs/dbraw/zinc/53/54/03/673535403.db2.gz RNOYGKSJMYGBES-KBPBESRZSA-N 1 0 350.419 2.066 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342409 673561308 /nfs/dbraw/zinc/56/13/08/673561308.db2.gz MUNHSHNTJVTATC-CQSZACIVSA-N 1 0 367.471 2.437 20 5 FEBDRO CC(C)[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000598571182 673585073 /nfs/dbraw/zinc/58/50/73/673585073.db2.gz HOVODIWEEORKJO-ZDUSSCGKSA-N 1 0 355.822 2.474 20 5 FEBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000598667480 673596155 /nfs/dbraw/zinc/59/61/55/673596155.db2.gz IQWBSJAFAYXOLI-XPTSAGLGSA-N 1 0 354.204 2.311 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1SC ZINC000598670176 673596871 /nfs/dbraw/zinc/59/68/71/673596871.db2.gz RSTKGIHQTUJBDN-HWPZZCPQSA-N 1 0 351.428 2.279 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598966838 673625330 /nfs/dbraw/zinc/62/53/30/673625330.db2.gz JFJBCRUIUWSXQA-AWEZNQCLSA-N 1 0 350.419 2.135 20 5 FEBDRO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126512 673635059 /nfs/dbraw/zinc/63/50/59/673635059.db2.gz IZALWDLMMWQBLE-CYBMUJFWSA-N 1 0 368.459 2.061 20 5 FEBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599125865 673635237 /nfs/dbraw/zinc/63/52/37/673635237.db2.gz DUFWYJXLDBAALU-AWEZNQCLSA-N 1 0 368.459 2.061 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000543673262 673660608 /nfs/dbraw/zinc/66/06/08/673660608.db2.gz MLWCEKATLYFQAF-OCCSQVGLSA-N 1 0 355.460 2.172 20 5 FEBDRO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000599416931 673673162 /nfs/dbraw/zinc/67/31/62/673673162.db2.gz YQZRLELZIMEIFK-NSHDSACASA-N 1 0 361.851 2.258 20 5 FEBDRO O=C(CSc1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000544048438 673685388 /nfs/dbraw/zinc/68/53/88/673685388.db2.gz VVIJXSYXLSMQTQ-UHFFFAOYSA-N 1 0 365.455 2.010 20 5 FEBDRO COc1cc(C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000599542845 673689780 /nfs/dbraw/zinc/68/97/80/673689780.db2.gz FHLUVSVJJUGGBX-OAHLLOKOSA-N 1 0 350.415 2.357 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1C ZINC000544597764 673719857 /nfs/dbraw/zinc/71/98/57/673719857.db2.gz AYBJIQRWCXGONI-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000614445269 676175443 /nfs/dbraw/zinc/17/54/43/676175443.db2.gz XHLIZYREKPLWOV-GFCCVEGCSA-N 1 0 353.444 2.157 20 5 FEBDRO CS[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000545332388 673760318 /nfs/dbraw/zinc/76/03/18/673760318.db2.gz IJWZGMBCDRYLLB-HZPDHXFCSA-N 1 0 365.455 2.012 20 5 FEBDRO COC(=O)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000743871816 673774287 /nfs/dbraw/zinc/77/42/87/673774287.db2.gz UUJGOOWHBLNBTM-UHFFFAOYSA-N 1 0 352.387 2.018 20 5 FEBDRO COC(=O)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000743872681 673774412 /nfs/dbraw/zinc/77/44/12/673774412.db2.gz XYHRLBZTTVTELG-UHFFFAOYSA-N 1 0 352.387 2.018 20 5 FEBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000600684642 673791589 /nfs/dbraw/zinc/79/15/89/673791589.db2.gz XMCISLHFJMISQM-UHFFFAOYSA-N 1 0 353.444 2.373 20 5 FEBDRO C[NH2+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CCC1 ZINC000600826256 673802079 /nfs/dbraw/zinc/80/20/79/673802079.db2.gz ZCRUVBORWQVWDS-UHFFFAOYSA-N 1 0 353.444 2.205 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601342338 673845402 /nfs/dbraw/zinc/84/54/02/673845402.db2.gz UZVGGNYYSULKLF-ZDUSSCGKSA-N 1 0 371.434 2.053 20 5 FEBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1(C)C ZINC000602174812 673903085 /nfs/dbraw/zinc/90/30/85/673903085.db2.gz UUHIBPXWNUKHLC-HUUCEWRRSA-N 1 0 367.471 2.138 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000602541846 673907557 /nfs/dbraw/zinc/90/75/57/673907557.db2.gz REQZQTJJTQPGRP-CABZTGNLSA-N 1 0 361.320 2.203 20 5 FEBDRO C[C@H]1COCCN1CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602593610 673908364 /nfs/dbraw/zinc/90/83/64/673908364.db2.gz LHGIXFBFHWKNFE-VIFPVBQESA-N 1 0 364.265 2.229 20 5 FEBDRO O=c1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cccn1C(F)F ZINC000602642522 673909233 /nfs/dbraw/zinc/90/92/33/673909233.db2.gz YVQRBUQGZKNROI-UHFFFAOYSA-N 1 0 353.329 2.185 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000603052880 673916122 /nfs/dbraw/zinc/91/61/22/673916122.db2.gz OQPSAUZZJBUBQO-CYBMUJFWSA-N 1 0 367.471 2.283 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000603239382 673919693 /nfs/dbraw/zinc/91/96/93/673919693.db2.gz HBIWSBQWCRRDOR-JTQLQIEISA-N 1 0 366.219 2.149 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000747377562 673924759 /nfs/dbraw/zinc/92/47/59/673924759.db2.gz YZDDIQYECUKBJJ-LYRGGWFBSA-N 1 0 351.378 2.058 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000747377564 673924767 /nfs/dbraw/zinc/92/47/67/673924767.db2.gz YZDDIQYECUKBJJ-XFBWCDHKSA-N 1 0 351.378 2.058 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c([N+](=O)[O-])s1 ZINC000603377249 673927701 /nfs/dbraw/zinc/92/77/01/673927701.db2.gz BHWGLEHEHANTOJ-UHFFFAOYSA-N 1 0 359.473 2.071 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000603386442 673928488 /nfs/dbraw/zinc/92/84/88/673928488.db2.gz XKWFHFMTJTWQBS-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000567861791 675330127 /nfs/dbraw/zinc/33/01/27/675330127.db2.gz YTMHYLMOGGGTSM-CQSZACIVSA-N 1 0 361.423 2.236 20 5 FEBDRO CC[NH+]1CCC(NC(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)CC1 ZINC000822236891 675473986 /nfs/dbraw/zinc/47/39/86/675473986.db2.gz VQQIMUHRLUHPMX-UHFFFAOYSA-N 1 0 368.821 2.421 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)CCN1 ZINC000825148353 675639050 /nfs/dbraw/zinc/63/90/50/675639050.db2.gz UEGFJOVASXBXCU-AWEZNQCLSA-N 1 0 366.849 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC2([NH+](C)C)CCOCC2)c1F ZINC000827762529 675777051 /nfs/dbraw/zinc/77/70/51/675777051.db2.gz MMEYCLRMMCQNFD-UHFFFAOYSA-N 1 0 357.357 2.022 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930592 675802424 /nfs/dbraw/zinc/80/24/24/675802424.db2.gz ZEFPATWSZOQXSH-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000604199909 675803872 /nfs/dbraw/zinc/80/38/72/675803872.db2.gz WXTXESXSSLSXSL-VIFPVBQESA-N 1 0 359.329 2.029 20 5 FEBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619561461 676384875 /nfs/dbraw/zinc/38/48/75/676384875.db2.gz LHPJQQISDVTCIK-YPMHNXCESA-N 1 0 350.371 2.187 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc([N+](=O)[O-])ccc1Cl)C2=O ZINC000830441634 677039904 /nfs/dbraw/zinc/03/99/04/677039904.db2.gz IRYBRRKICGFZQN-ZBEGNZNMSA-N 1 0 366.805 2.188 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2=O ZINC000830448806 677040218 /nfs/dbraw/zinc/04/02/18/677040218.db2.gz UBPZDYSVLLDGLI-MEDUHNTESA-N 1 0 366.805 2.188 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000838344950 680687745 /nfs/dbraw/zinc/68/77/45/680687745.db2.gz KAUKZYLCIWBZMM-LBPRGKRZSA-N 1 0 370.427 2.030 20 5 FEBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCN1C1CCOCC1 ZINC000761524499 680725843 /nfs/dbraw/zinc/72/58/43/680725843.db2.gz DYNXZHLRBIQPNK-AWEZNQCLSA-N 1 0 353.806 2.118 20 5 FEBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H](O)C[NH+]2CCCC2)C(F)(F)F)c1F ZINC000839653308 680769226 /nfs/dbraw/zinc/76/92/26/680769226.db2.gz VVIHICGVALFGGA-HZMBPMFUSA-N 1 0 365.327 2.384 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000763082407 680771637 /nfs/dbraw/zinc/77/16/37/680771637.db2.gz FVBGAQAQQUTNGC-ZJUUUORDSA-N 1 0 357.794 2.364 20 5 FEBDRO Cc1c(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748839479 679999744 /nfs/dbraw/zinc/99/97/44/679999744.db2.gz YUBSZZGYKGGCHA-CQSZACIVSA-N 1 0 350.375 2.190 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139801 680101037 /nfs/dbraw/zinc/10/10/37/680101037.db2.gz NERZCJDBVJKMOM-PRULPYPASA-N 1 0 358.225 2.395 20 5 FEBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139873 680101083 /nfs/dbraw/zinc/10/10/83/680101083.db2.gz QIVRHNKWRPGNHU-AAVRWANBSA-N 1 0 357.332 2.107 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000751252959 680163429 /nfs/dbraw/zinc/16/34/29/680163429.db2.gz CNIYWODVOAZOAZ-GFCCVEGCSA-N 1 0 361.851 2.401 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000832742458 680171423 /nfs/dbraw/zinc/17/14/23/680171423.db2.gz IHTPGWBTYHHQDX-LLVKDONJSA-N 1 0 368.821 2.129 20 5 FEBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063931 680193581 /nfs/dbraw/zinc/19/35/81/680193581.db2.gz PQOWJKIZGPPSFD-FBKDDSFISA-N 1 0 358.225 2.395 20 5 FEBDRO Cc1ccc2sc(C[NH2+][C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)nc2c1 ZINC001022063969 680193591 /nfs/dbraw/zinc/19/35/91/680193591.db2.gz RIWLKKDGLBSJOZ-GFQSEFKGSA-N 1 0 360.439 2.007 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000912151622 685320386 /nfs/dbraw/zinc/32/03/86/685320386.db2.gz ZHPKZWYKWOEAMO-UHFFFAOYSA-N 1 0 366.805 2.105 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000997773820 680365851 /nfs/dbraw/zinc/36/58/51/680365851.db2.gz YKSRQVNBCYLGMW-DGCLKSJQSA-N 1 0 357.863 2.395 20 5 FEBDRO O=C(NCC1CC[NH+](CCCc2ccsc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400988 680460579 /nfs/dbraw/zinc/46/05/79/680460579.db2.gz WXTBLURHDXJYLR-HZPDHXFCSA-N 1 0 351.472 2.174 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000758208195 680562219 /nfs/dbraw/zinc/56/22/19/680562219.db2.gz SEGZGBOIOUMLII-ZDUSSCGKSA-N 1 0 352.391 2.224 20 5 FEBDRO C[NH+](C)CC1(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CCCC1 ZINC000760137709 680677679 /nfs/dbraw/zinc/67/76/79/680677679.db2.gz PEGHOSSXKJIJMN-UHFFFAOYSA-N 1 0 363.443 2.451 20 5 FEBDRO O=C(NCC1=CC[NH2+]CC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841161889 680866854 /nfs/dbraw/zinc/86/68/54/680866854.db2.gz PERXZXAARGMIKR-UHFFFAOYSA-N 1 0 355.192 2.399 20 5 FEBDRO O=C(NC[C@@H]1CCC[NH2+]C1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162343 680866908 /nfs/dbraw/zinc/86/69/08/680866908.db2.gz UUESVMOMTSUHMQ-SECBINFHSA-N 1 0 357.208 2.478 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842482342 680950102 /nfs/dbraw/zinc/95/01/02/680950102.db2.gz QUFAHHGVLMMSNY-OCCSQVGLSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000842485430 680950487 /nfs/dbraw/zinc/95/04/87/680950487.db2.gz OIEJTNOJDZMCBV-CQSZACIVSA-N 1 0 359.835 2.073 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000842700164 680960327 /nfs/dbraw/zinc/96/03/27/680960327.db2.gz VPBFXJFNZGRURS-MNOVXSKESA-N 1 0 361.851 2.223 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000842700430 680960337 /nfs/dbraw/zinc/96/03/37/680960337.db2.gz YZKTWBHCCJZCEJ-QWRGUYRKSA-N 1 0 361.851 2.223 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852721 680961478 /nfs/dbraw/zinc/96/14/78/680961478.db2.gz JEUAZRKCWZRDRR-UTUOFQBUSA-N 1 0 361.489 2.301 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000842726966 680962436 /nfs/dbraw/zinc/96/24/36/680962436.db2.gz SDUNDBBBQFHJTH-WDEREUQCSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000842748979 680963963 /nfs/dbraw/zinc/96/39/63/680963963.db2.gz WDWQOCKFVCDIRC-NSHDSACASA-N 1 0 359.835 2.072 20 5 FEBDRO C[NH2+]C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000843340068 680998915 /nfs/dbraw/zinc/99/89/15/680998915.db2.gz MEYYUHVGEUXBIU-UHFFFAOYSA-N 1 0 360.183 2.320 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000912594673 685402386 /nfs/dbraw/zinc/40/23/86/685402386.db2.gz GMKZMHMMBGBDAL-UHFFFAOYSA-N 1 0 369.849 2.461 20 5 FEBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640984 681069726 /nfs/dbraw/zinc/06/97/26/681069726.db2.gz MMUUBEXGQFOWJN-USWWRNFRSA-N 1 0 350.375 2.365 20 5 FEBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844643415 681070029 /nfs/dbraw/zinc/07/00/29/681070029.db2.gz RFIILMARVNXINP-QJPTWQEYSA-N 1 0 352.410 2.353 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)CCN1 ZINC000845562861 681137805 /nfs/dbraw/zinc/13/78/05/681137805.db2.gz YGZWTCFCDBUCIQ-LLVKDONJSA-N 1 0 370.812 2.178 20 5 FEBDRO CC(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000845817949 681154553 /nfs/dbraw/zinc/15/45/53/681154553.db2.gz MOLQEMQULGQCMY-HNNXBMFYSA-N 1 0 370.475 2.025 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000846301814 681222877 /nfs/dbraw/zinc/22/28/77/681222877.db2.gz ZQVVQJIGNHRDTA-UHFFFAOYSA-N 1 0 356.810 2.481 20 5 FEBDRO Cc1c(C(=O)N(C)CC[NH+]2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000846612215 681268003 /nfs/dbraw/zinc/26/80/03/681268003.db2.gz LFYGGIKXULNCRG-UHFFFAOYSA-N 1 0 350.375 2.369 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932702932 681291660 /nfs/dbraw/zinc/29/16/60/681291660.db2.gz ZBRKPTDUXIURGO-UHFFFAOYSA-N 1 0 351.451 2.070 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000776496993 681396601 /nfs/dbraw/zinc/39/66/01/681396601.db2.gz BXLBRDXDOBFDEX-DOMZBBRYSA-N 1 0 374.846 2.074 20 5 FEBDRO CC1CC[NH+](CCCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000777796139 681531047 /nfs/dbraw/zinc/53/10/47/681531047.db2.gz UMAVXGUASFMYAR-UHFFFAOYSA-N 1 0 363.443 2.451 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000777972648 681550143 /nfs/dbraw/zinc/55/01/43/681550143.db2.gz VWZTTWVMKZADEQ-UHFFFAOYSA-N 1 0 353.329 2.083 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848509021 681566158 /nfs/dbraw/zinc/56/61/58/681566158.db2.gz RJAXNFMHXKLWAI-KBPBESRZSA-N 1 0 371.434 2.338 20 5 FEBDRO C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000848587826 681584098 /nfs/dbraw/zinc/58/40/98/681584098.db2.gz YCUPVRXNEABKRF-LLVKDONJSA-N 1 0 355.341 2.333 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587267 681584279 /nfs/dbraw/zinc/58/42/79/681584279.db2.gz HILGGZJEHRFBPW-GFCCVEGCSA-N 1 0 357.357 2.367 20 5 FEBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782345551 682031286 /nfs/dbraw/zinc/03/12/86/682031286.db2.gz QRQMYLAEUUMHEG-AWEZNQCLSA-N 1 0 356.810 2.356 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000915227334 685513397 /nfs/dbraw/zinc/51/33/97/685513397.db2.gz SFCYKFMYODJPRM-DOTOQJQBSA-N 1 0 366.801 2.311 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000783313739 682134416 /nfs/dbraw/zinc/13/44/16/682134416.db2.gz XWNXDSHWPWSCRQ-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cnc(Br)n1 ZINC000852018721 682203961 /nfs/dbraw/zinc/20/39/61/682203961.db2.gz PVGCTLRUTDQZLF-UHFFFAOYSA-N 1 0 354.208 2.123 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000917082686 685529579 /nfs/dbraw/zinc/52/95/79/685529579.db2.gz YAJWSOUFVXFQGL-OLZOCXBDSA-N 1 0 350.375 2.342 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000917908864 685535609 /nfs/dbraw/zinc/53/56/09/685535609.db2.gz KDYDLMFIRHVIMY-NWDGAFQWSA-N 1 0 359.835 2.153 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000918194034 685537859 /nfs/dbraw/zinc/53/78/59/685537859.db2.gz QJUFPXYBGNCKRG-NWDGAFQWSA-N 1 0 359.423 2.275 20 5 FEBDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000918664398 685540844 /nfs/dbraw/zinc/54/08/44/685540844.db2.gz FSIQWGPQHZSIHX-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000852762394 682338693 /nfs/dbraw/zinc/33/86/93/682338693.db2.gz MGLRQEVMKGLPBZ-CPCISQLKSA-N 1 0 368.743 2.397 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000788961371 682570292 /nfs/dbraw/zinc/57/02/92/682570292.db2.gz WMRVXCKRZPVBDF-UHFFFAOYSA-N 1 0 365.773 2.485 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000790836495 682705498 /nfs/dbraw/zinc/70/54/98/682705498.db2.gz RHPZVCRCZLTHSK-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791328822 682735013 /nfs/dbraw/zinc/73/50/13/682735013.db2.gz XIXHSCAWJGCEAT-TXEJJXNPSA-N 1 0 352.410 2.414 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000856283191 682760977 /nfs/dbraw/zinc/76/09/77/682760977.db2.gz PYETVBRZROFNTC-UHFFFAOYSA-N 1 0 351.432 2.450 20 5 FEBDRO O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768465 682911050 /nfs/dbraw/zinc/91/10/50/682911050.db2.gz RNETZCZMXJAULX-OAHLLOKOSA-N 1 0 355.341 2.169 20 5 FEBDRO CN1CC[NH+](CC2CN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000858610890 682984677 /nfs/dbraw/zinc/98/46/77/682984677.db2.gz ISMVYBIFNBBYLT-UHFFFAOYSA-N 1 0 369.263 2.041 20 5 FEBDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150121 683083164 /nfs/dbraw/zinc/08/31/64/683083164.db2.gz GRTCUMANYVLPGI-HZPDHXFCSA-N 1 0 356.444 2.019 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000926150982 683083531 /nfs/dbraw/zinc/08/35/31/683083531.db2.gz QJMLVKJSEXTIQD-QGZVFWFLSA-N 1 0 368.455 2.163 20 5 FEBDRO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@H]1C(C)C ZINC000926263156 683100359 /nfs/dbraw/zinc/10/03/59/683100359.db2.gz OQAKSPLTIVDRBQ-RYPCIWMOSA-N 1 0 367.471 2.256 20 5 FEBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164842 683135518 /nfs/dbraw/zinc/13/55/18/683135518.db2.gz ZKFDEXCIRPWQPM-JKSUJKDBSA-N 1 0 351.403 2.229 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+]1C ZINC000798173278 683317748 /nfs/dbraw/zinc/31/77/48/683317748.db2.gz WJDLVVPZWALBJN-NXEZZACHSA-N 1 0 371.235 2.307 20 5 FEBDRO O=[N+]([O-])c1cc(F)cc(F)c1OS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000921513161 683489547 /nfs/dbraw/zinc/48/95/47/683489547.db2.gz OPXAPOFTUKTNMF-AWEZNQCLSA-N 1 0 362.354 2.068 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000930158926 683687171 /nfs/dbraw/zinc/68/71/71/683687171.db2.gz ARJUQYNBMBFDFL-HUUCEWRRSA-N 1 0 368.821 2.311 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844184 683791975 /nfs/dbraw/zinc/79/19/75/683791975.db2.gz BQUZTIZVDOJEAE-ZNMIVQPWSA-N 1 0 357.451 2.047 20 5 FEBDRO Cc1sc(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000922858735 683794009 /nfs/dbraw/zinc/79/40/09/683794009.db2.gz IXCFBKCYRJPXDM-UHFFFAOYSA-N 1 0 353.444 2.338 20 5 FEBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000865997300 684058307 /nfs/dbraw/zinc/05/83/07/684058307.db2.gz XYSJXQWOGWRAJS-JTQLQIEISA-N 1 0 359.224 2.009 20 5 FEBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000866068809 684068259 /nfs/dbraw/zinc/06/82/59/684068259.db2.gz ZOWWRWBIXBWGOI-GFCCVEGCSA-N 1 0 370.247 2.452 20 5 FEBDRO CN(CCC[NH+](C)C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867223386 684228825 /nfs/dbraw/zinc/22/88/25/684228825.db2.gz HIZKQUBEYWHJJX-UHFFFAOYSA-N 1 0 358.236 2.310 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC000867307587 684243628 /nfs/dbraw/zinc/24/36/28/684243628.db2.gz BVCNIMMAVSLRDS-MNOVXSKESA-N 1 0 361.851 2.270 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279980 684253808 /nfs/dbraw/zinc/25/38/08/684253808.db2.gz AICCTZWMLOUVTL-NYMYIZQJSA-N 1 0 352.822 2.067 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931434086 684282418 /nfs/dbraw/zinc/28/24/18/684282418.db2.gz LZUGCNWDNCGPMQ-NEPJUHHUSA-N 1 0 352.822 2.070 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c(C)cc1[N+](=O)[O-] ZINC000923735229 684342550 /nfs/dbraw/zinc/34/25/50/684342550.db2.gz UNXYRXFHHVOSAP-MRXNPFEDSA-N 1 0 353.444 2.118 20 5 FEBDRO C[C@H]1[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000924009047 684387367 /nfs/dbraw/zinc/38/73/67/684387367.db2.gz SLJGGJRLFAHWMM-CABZTGNLSA-N 1 0 371.235 2.249 20 5 FEBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868926680 684558388 /nfs/dbraw/zinc/55/83/88/684558388.db2.gz DCENDRMRGFOOMA-GFCCVEGCSA-N 1 0 370.247 2.452 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000872085894 684918485 /nfs/dbraw/zinc/91/84/85/684918485.db2.gz RSUYUULCOBNHKB-WBMJQRKESA-N 1 0 356.444 2.135 20 5 FEBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000872531046 684972739 /nfs/dbraw/zinc/97/27/39/684972739.db2.gz YJJJTRITYUNXPR-UHFFFAOYSA-N 1 0 368.459 2.019 20 5 FEBDRO O=C1N(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720209 685008502 /nfs/dbraw/zinc/00/85/02/685008502.db2.gz JSYIGMYEOMDFCW-KGLIPLIRSA-N 1 0 362.455 2.479 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877189570 686337733 /nfs/dbraw/zinc/33/77/33/686337733.db2.gz PNLKHFDCCWOIDX-LWOUBBNUSA-N 1 0 353.806 2.498 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc([N+](=O)[O-])c1C ZINC000877360065 686362446 /nfs/dbraw/zinc/36/24/46/686362446.db2.gz VUTLCBDXVWOMBQ-MNOVXSKESA-N 1 0 361.320 2.121 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(F)(F)F ZINC000877362664 686364019 /nfs/dbraw/zinc/36/40/19/686364019.db2.gz GSQGAECEDDIQRA-ONGXEEELSA-N 1 0 365.739 2.386 20 5 FEBDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000877376826 686368545 /nfs/dbraw/zinc/36/85/45/686368545.db2.gz PAQLNLUJMXZVIU-MEDUHNTESA-N 1 0 353.806 2.085 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390631 686371237 /nfs/dbraw/zinc/37/12/37/686371237.db2.gz GAIBCLVPIINARS-JMPLFQLZSA-N 1 0 353.806 2.416 20 5 FEBDRO CS[C@@H]1CN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH+](C)C ZINC000878320059 686563982 /nfs/dbraw/zinc/56/39/82/686563982.db2.gz ICBJTBBBVJGJEY-UONOGXRCSA-N 1 0 363.443 2.122 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)n1 ZINC000878524035 686601356 /nfs/dbraw/zinc/60/13/56/686601356.db2.gz MGAPKGYHSYJIBQ-HNNXBMFYSA-N 1 0 350.419 2.014 20 5 FEBDRO C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883698071 687704404 /nfs/dbraw/zinc/70/44/04/687704404.db2.gz XAHPMSAJIWKWGW-VIFPVBQESA-N 1 0 359.224 2.107 20 5 FEBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412362 688248468 /nfs/dbraw/zinc/24/84/68/688248468.db2.gz CYSYVXRVQFNNAM-CYBMUJFWSA-N 1 0 353.423 2.123 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000890881066 688978895 /nfs/dbraw/zinc/97/88/95/688978895.db2.gz RWZCNYUHFKTVGG-UHFFFAOYSA-N 1 0 354.426 2.460 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891668355 689090034 /nfs/dbraw/zinc/09/00/34/689090034.db2.gz LWCMXMASJBJJKA-JTQLQIEISA-N 1 0 362.764 2.292 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892080273 689147707 /nfs/dbraw/zinc/14/77/07/689147707.db2.gz WGGCZDWFDNKGNV-SKDRFNHKSA-N 1 0 371.235 2.155 20 5 FEBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C[NH+]2CCC1CC2 ZINC000892778031 689242460 /nfs/dbraw/zinc/24/24/60/689242460.db2.gz MGBYFNWOVLSJGF-MRXNPFEDSA-N 1 0 355.341 2.410 20 5 FEBDRO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895244920 689683288 /nfs/dbraw/zinc/68/32/88/689683288.db2.gz ATKKDTRDWLNFDV-GXFFZTMASA-N 1 0 357.252 2.404 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)C[C@H]2CCCO2)cc1Br ZINC000895749597 689765077 /nfs/dbraw/zinc/76/50/77/689765077.db2.gz UBDUNMNWCCCOPY-RKDXNWHRSA-N 1 0 365.249 2.438 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521571 689884537 /nfs/dbraw/zinc/88/45/37/689884537.db2.gz JQEBOYAUJOGGAW-GFCCVEGCSA-N 1 0 371.235 2.418 20 5 FEBDRO C[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000897459833 690026452 /nfs/dbraw/zinc/02/64/52/690026452.db2.gz ONYSSTXDVZOKET-KGLIPLIRSA-N 1 0 369.487 2.348 20 5 FEBDRO O=c1c(Br)cn(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000899628954 690393394 /nfs/dbraw/zinc/39/33/94/690393394.db2.gz FQTNMIYTIQYIHZ-FGWVZKOKSA-N 1 0 356.220 2.440 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)ccc1Cl ZINC000903200963 690865681 /nfs/dbraw/zinc/86/56/81/690865681.db2.gz DFOUAGVPOYDXPN-UHFFFAOYSA-N 1 0 359.835 2.107 20 5 FEBDRO CO[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000903309177 690880658 /nfs/dbraw/zinc/88/06/58/690880658.db2.gz CTDFCUVPPBYDMU-BLLLJJGKSA-N 1 0 353.444 2.424 20 5 FEBDRO [NH3+][C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C(F)(F)F ZINC000903982790 690992126 /nfs/dbraw/zinc/99/21/26/690992126.db2.gz VIKMNGRFJSQKBI-QWRGUYRKSA-N 1 0 361.320 2.078 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904405348 691025282 /nfs/dbraw/zinc/02/52/82/691025282.db2.gz LCXKYULWTGEEJH-LLVKDONJSA-N 1 0 359.373 2.418 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000905622623 691153147 /nfs/dbraw/zinc/15/31/47/691153147.db2.gz DFECGYIPIFLUDE-JKSUJKDBSA-N 1 0 350.415 2.416 20 5 FEBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000485411763 719482358 /nfs/dbraw/zinc/48/23/58/719482358.db2.gz LOSGJIKHLAIZER-CVEARBPZSA-N 1 0 358.373 2.315 20 5 FEBDRO O=[N+]([O-])c1cccc2nc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)ccc21 ZINC001164966781 722071062 /nfs/dbraw/zinc/07/10/62/722071062.db2.gz BZYKSIDVQJKBHU-GASCZTMLSA-N 1 0 354.410 2.442 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000016599544 539634524 /nfs/dbraw/zinc/63/45/24/539634524.db2.gz AFPOFQLHUHGNTJ-INIZCTEOSA-N 1 0 371.393 2.399 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026160238 539779148 /nfs/dbraw/zinc/77/91/48/539779148.db2.gz LVLBJBWCLKTPOC-UHFFFAOYSA-N 1 0 370.409 2.451 20 5 FEBDRO C[NH+](C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccsc1 ZINC000026719944 539791839 /nfs/dbraw/zinc/79/18/39/539791839.db2.gz MAABFKJLMKKRPD-AWEZNQCLSA-N 1 0 370.456 2.019 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000027747869 539816873 /nfs/dbraw/zinc/81/68/73/539816873.db2.gz FRDJORVFMUNKPI-ZDUSSCGKSA-N 1 0 363.414 2.376 20 5 FEBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])c(N)n2)[NH+]2CCCC2)c1 ZINC000076267217 542252191 /nfs/dbraw/zinc/25/21/91/542252191.db2.gz ZHKYAKUYFVXVLK-AWEZNQCLSA-N 1 0 358.402 2.225 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH+](CC(C)C)CC1 ZINC000041894473 540038302 /nfs/dbraw/zinc/03/83/02/540038302.db2.gz IZZHDOPUXMPAKT-UHFFFAOYSA-N 1 0 364.446 2.206 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000042509485 540064817 /nfs/dbraw/zinc/06/48/17/540064817.db2.gz LLTLUAZWSJQPAN-SNVBAGLBSA-N 1 0 373.356 2.419 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000044533792 540130000 /nfs/dbraw/zinc/13/00/00/540130000.db2.gz FFHRVZLVRDKZEE-AWEZNQCLSA-N 1 0 357.414 2.242 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000045279553 540208622 /nfs/dbraw/zinc/20/86/22/540208622.db2.gz DSRHHELHIAGDCO-HNNXBMFYSA-N 1 0 367.409 2.374 20 5 FEBDRO C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000046063991 540241147 /nfs/dbraw/zinc/24/11/47/540241147.db2.gz ZYJJEBXKMYQLGY-GJZGRUSLSA-N 1 0 361.442 2.443 20 5 FEBDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000046897586 540276049 /nfs/dbraw/zinc/27/60/49/540276049.db2.gz LPFSNIQNOSIGIA-UHFFFAOYSA-N 1 0 371.441 2.340 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000052753737 540487347 /nfs/dbraw/zinc/48/73/47/540487347.db2.gz YINFLXIWZGWURL-ZDUSSCGKSA-N 1 0 363.414 2.433 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000055400805 540650649 /nfs/dbraw/zinc/65/06/49/540650649.db2.gz RHHLESJHIAMAIY-QWHCGFSZSA-N 1 0 363.414 2.232 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056240509 540713802 /nfs/dbraw/zinc/71/38/02/540713802.db2.gz QHPSSZBPRCWPCG-UONOGXRCSA-N 1 0 372.429 2.026 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000056786173 540745635 /nfs/dbraw/zinc/74/56/35/540745635.db2.gz DLUOZTHJOYZYPP-LSDHHAIUSA-N 1 0 363.462 2.426 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000058562638 540848801 /nfs/dbraw/zinc/84/88/01/540848801.db2.gz OQDQQRGGBCZHIS-ZIAGYGMSSA-N 1 0 355.460 2.444 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC000058395146 540841639 /nfs/dbraw/zinc/84/16/39/540841639.db2.gz BEWSZCUDFKZBPN-CYBMUJFWSA-N 1 0 358.402 2.057 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000060443111 541112120 /nfs/dbraw/zinc/11/21/20/541112120.db2.gz FKXJLKYRZZOJKA-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000063852982 541189184 /nfs/dbraw/zinc/18/91/84/541189184.db2.gz WZFGIWNVDOZBIS-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000063709224 541179894 /nfs/dbraw/zinc/17/98/94/541179894.db2.gz CVWZAZVWIVRPHT-STQMWFEESA-N 1 0 360.414 2.305 20 5 FEBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000065512348 541242279 /nfs/dbraw/zinc/24/22/79/541242279.db2.gz WWFABPZQJZYPJZ-MSOLQXFVSA-N 1 0 352.431 2.362 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000066196547 541289556 /nfs/dbraw/zinc/28/95/56/541289556.db2.gz UAHLRXDDIQABLV-OAHLLOKOSA-N 1 0 363.462 2.157 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cc1ccccc1 ZINC000066629909 541349954 /nfs/dbraw/zinc/34/99/54/541349954.db2.gz PGDBKCYCAPMOKD-UHFFFAOYSA-N 1 0 371.393 2.228 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000068999749 541647218 /nfs/dbraw/zinc/64/72/18/541647218.db2.gz XNFMPSCKRWAZFI-UHFFFAOYSA-N 1 0 371.441 2.224 20 5 FEBDRO C[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000069410098 541684411 /nfs/dbraw/zinc/68/44/11/541684411.db2.gz SDXINLQLVQKXTR-OAHLLOKOSA-N 1 0 364.446 2.395 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000070878872 541748890 /nfs/dbraw/zinc/74/88/90/541748890.db2.gz OPEVZHNZCGKBLG-UHFFFAOYSA-N 1 0 363.414 2.360 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000071906055 541775151 /nfs/dbraw/zinc/77/51/51/541775151.db2.gz UTTAEPUVSQCSBO-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c1 ZINC000075680216 542198033 /nfs/dbraw/zinc/19/80/33/542198033.db2.gz VDAMINKJQGEIGZ-SFHVURJKSA-N 1 0 362.405 2.246 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076660585 542308150 /nfs/dbraw/zinc/30/81/50/542308150.db2.gz CNBDQEYHDMHBRN-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000077990331 542435863 /nfs/dbraw/zinc/43/58/63/542435863.db2.gz YWZHSVXHXQEQCK-UHFFFAOYSA-N 1 0 350.375 2.194 20 5 FEBDRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000079999368 542556931 /nfs/dbraw/zinc/55/69/31/542556931.db2.gz DIRUKFXXXOMOEZ-AWEZNQCLSA-N 1 0 350.419 2.067 20 5 FEBDRO C[NH+](C)[C@]1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCSC1 ZINC000551700593 674158699 /nfs/dbraw/zinc/15/86/99/674158699.db2.gz ITMDEHUOBGFGAC-KRWDZBQOSA-N 1 0 351.472 2.426 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000080543911 542594383 /nfs/dbraw/zinc/59/43/83/542594383.db2.gz QCVWQNJLUAIDNE-INIZCTEOSA-N 1 0 354.426 2.426 20 5 FEBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cnnn2)cc1 ZINC000089580616 542764949 /nfs/dbraw/zinc/76/49/49/542764949.db2.gz ZWGZDFCENHHKIJ-CYBMUJFWSA-N 1 0 354.370 2.300 20 5 FEBDRO Cc1cccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961880 542778349 /nfs/dbraw/zinc/77/83/49/542778349.db2.gz SQXHZIGDUYJUNF-SJORKVTESA-N 1 0 369.421 2.268 20 5 FEBDRO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000092015027 542837970 /nfs/dbraw/zinc/83/79/70/542837970.db2.gz VTRDSUPVJHTIMH-QGZVFWFLSA-N 1 0 350.415 2.464 20 5 FEBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000092139655 542846649 /nfs/dbraw/zinc/84/66/49/542846649.db2.gz SPEIFWDJDRVOBB-UHFFFAOYSA-N 1 0 356.382 2.174 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000092765284 542886450 /nfs/dbraw/zinc/88/64/50/542886450.db2.gz JFHXEIKUBISSHH-MRXNPFEDSA-N 1 0 363.458 2.487 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000093082078 542907584 /nfs/dbraw/zinc/90/75/84/542907584.db2.gz NAIIEINOBLQHNZ-UHFFFAOYSA-N 1 0 357.414 2.458 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000093001673 542900947 /nfs/dbraw/zinc/90/09/47/542900947.db2.gz TZEQKRVTKSVUDA-AAEUAGOBSA-N 1 0 359.423 2.003 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093064263 542907064 /nfs/dbraw/zinc/90/70/64/542907064.db2.gz QGNOSPAUGBFLRK-UHFFFAOYSA-N 1 0 355.398 2.340 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000098096912 543020064 /nfs/dbraw/zinc/02/00/64/543020064.db2.gz XINBMUCOSNXDSM-LBPRGKRZSA-N 1 0 363.443 2.265 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000103006854 543088421 /nfs/dbraw/zinc/08/84/21/543088421.db2.gz OCGLTJPMARIQMJ-ZDUSSCGKSA-N 1 0 372.381 2.137 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000105566618 543176357 /nfs/dbraw/zinc/17/63/57/543176357.db2.gz ZTLPRHTVKRGCLF-SNVBAGLBSA-N 1 0 361.320 2.217 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000106479585 543231561 /nfs/dbraw/zinc/23/15/61/543231561.db2.gz ZZRFOWVIODHPLP-QGZVFWFLSA-N 1 0 355.442 2.359 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1OC ZINC000108304993 543285954 /nfs/dbraw/zinc/28/59/54/543285954.db2.gz IZPIKRNGWZKBQR-ZDUSSCGKSA-N 1 0 363.414 2.216 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000108340718 543286804 /nfs/dbraw/zinc/28/68/04/543286804.db2.gz ZMXGUVUYMQRXKM-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](CCCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000109747391 543335915 /nfs/dbraw/zinc/33/59/15/543335915.db2.gz SFDZBDCWVQWMPI-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111635855 543410249 /nfs/dbraw/zinc/41/02/49/543410249.db2.gz FXXDQXUAMKRADW-ZDUSSCGKSA-N 1 0 358.398 2.041 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113438299 543487962 /nfs/dbraw/zinc/48/79/62/543487962.db2.gz OJVTZAFZEMCXIH-CYBMUJFWSA-N 1 0 372.425 2.431 20 5 FEBDRO CCOc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115433013 543566986 /nfs/dbraw/zinc/56/69/86/543566986.db2.gz OTEGSMULDOSHDB-CYBMUJFWSA-N 1 0 365.430 2.416 20 5 FEBDRO CS(=O)(=O)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000552096204 674186895 /nfs/dbraw/zinc/18/68/95/674186895.db2.gz VBDVAEMNJZPBNY-KBPBESRZSA-N 1 0 370.475 2.222 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000117253766 543624496 /nfs/dbraw/zinc/62/44/96/543624496.db2.gz FWFJZKTXUXQHON-UHFFFAOYSA-N 1 0 360.414 2.096 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)nc1 ZINC000118866232 543660970 /nfs/dbraw/zinc/66/09/70/543660970.db2.gz FPXFAUVBGGMBAX-AWEZNQCLSA-N 1 0 356.382 2.447 20 5 FEBDRO CC[NH+]1CCC(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000118981008 543662321 /nfs/dbraw/zinc/66/23/21/543662321.db2.gz QDRWSOUTZZQVPF-UHFFFAOYSA-N 1 0 363.462 2.489 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000122585833 543711996 /nfs/dbraw/zinc/71/19/96/543711996.db2.gz BBIBHARUKWGVKB-INIZCTEOSA-N 1 0 357.414 2.048 20 5 FEBDRO COCCCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122627111 543714514 /nfs/dbraw/zinc/71/45/14/543714514.db2.gz GDGLPPHIQFZZHI-UHFFFAOYSA-N 1 0 365.430 2.441 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1 ZINC000123410117 543760398 /nfs/dbraw/zinc/76/03/98/543760398.db2.gz RBMAEPIIOFBPQE-VIFPVBQESA-N 1 0 368.242 2.322 20 5 FEBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000125142176 543863819 /nfs/dbraw/zinc/86/38/19/543863819.db2.gz VEQZRNVDLIEDJZ-RKDXNWHRSA-N 1 0 367.349 2.114 20 5 FEBDRO C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000126832585 543958951 /nfs/dbraw/zinc/95/89/51/543958951.db2.gz WMQPCSBACOLTKN-QGZVFWFLSA-N 1 0 373.409 2.077 20 5 FEBDRO CN(C(=O)c1c([N+](=O)[O-])cnn1C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000128156167 544035676 /nfs/dbraw/zinc/03/56/76/544035676.db2.gz HEKWFVOGDBEDAA-UHFFFAOYSA-N 1 0 373.413 2.080 20 5 FEBDRO Cc1cc[nH+]c(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000131008262 544174047 /nfs/dbraw/zinc/17/40/47/544174047.db2.gz XDYGDNGKXWBBPK-UHFFFAOYSA-N 1 0 350.400 2.226 20 5 FEBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000132136997 544220252 /nfs/dbraw/zinc/22/02/52/544220252.db2.gz IHKFIGLCVBMZNY-OAHLLOKOSA-N 1 0 350.415 2.491 20 5 FEBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133523207 544273457 /nfs/dbraw/zinc/27/34/57/544273457.db2.gz SCHJVOZNRQAUDW-UHFFFAOYSA-N 1 0 374.445 2.131 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136070419 544365801 /nfs/dbraw/zinc/36/58/01/544365801.db2.gz COCLAZXLQVUUAB-ZDUSSCGKSA-N 1 0 357.414 2.480 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502527 544391270 /nfs/dbraw/zinc/39/12/70/544391270.db2.gz CPHDPUYWFPKIOT-IUODEOHRSA-N 1 0 357.414 2.030 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000140429636 544408504 /nfs/dbraw/zinc/40/85/04/544408504.db2.gz STFAUQNUXAILBE-CYBMUJFWSA-N 1 0 350.419 2.066 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000142016871 544415756 /nfs/dbraw/zinc/41/57/56/544415756.db2.gz WHOWJPDUMRYHON-CYBMUJFWSA-N 1 0 363.414 2.312 20 5 FEBDRO COc1cc(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000150797556 544472963 /nfs/dbraw/zinc/47/29/63/544472963.db2.gz XXOQOJXYZBYSPM-UHFFFAOYSA-N 1 0 371.459 2.145 20 5 FEBDRO O=C1[C@@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000150830221 544476493 /nfs/dbraw/zinc/47/64/93/544476493.db2.gz VVGFTWAXSOEANU-QAPCUYQASA-N 1 0 358.442 2.118 20 5 FEBDRO O=C(CN1CCc2c(cccc2[N+](=O)[O-])C1)NCCc1ccc(F)cc1 ZINC000153051496 544727471 /nfs/dbraw/zinc/72/74/71/544727471.db2.gz OCQGRKXIAPULLH-UHFFFAOYSA-N 1 0 357.385 2.451 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000152886042 544707207 /nfs/dbraw/zinc/70/72/07/544707207.db2.gz BCUNWEBAQUXOSD-GFCCVEGCSA-N 1 0 358.464 2.165 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1SC ZINC000153550877 544789743 /nfs/dbraw/zinc/78/97/43/544789743.db2.gz PSAXSVLOMDFPIZ-LLVKDONJSA-N 1 0 353.444 2.492 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000153571352 544793144 /nfs/dbraw/zinc/79/31/44/544793144.db2.gz YOFHELQXGBSPKR-OAHLLOKOSA-N 1 0 362.817 2.474 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000154427120 544905441 /nfs/dbraw/zinc/90/54/41/544905441.db2.gz SQHYHTSVNWVIJA-CQSZACIVSA-N 1 0 362.430 2.175 20 5 FEBDRO CNC(=O)CCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000154962358 544971575 /nfs/dbraw/zinc/97/15/75/544971575.db2.gz CXFANAKIZIYSFQ-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553280060 674249912 /nfs/dbraw/zinc/24/99/12/674249912.db2.gz QDGURRWEURAHFF-STQMWFEESA-N 1 0 350.419 2.760 20 5 FEBDRO CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000180353187 327682357 /nfs/dbraw/zinc/68/23/57/327682357.db2.gz RPFZHLOPEFMCDP-UHFFFAOYSA-N 1 0 368.821 2.176 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181258474 327722501 /nfs/dbraw/zinc/72/25/01/327722501.db2.gz ZXCRHWWFJFJVKA-AWEZNQCLSA-N 1 0 361.398 2.414 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182868060 327791626 /nfs/dbraw/zinc/79/16/26/327791626.db2.gz MLIBHUHJTFQXNB-GOSISDBHSA-N 1 0 372.425 2.078 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000804465813 674288474 /nfs/dbraw/zinc/28/84/74/674288474.db2.gz IMSLOCRCPXZIHY-UHFFFAOYSA-N 1 0 350.375 2.052 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187118747 328003184 /nfs/dbraw/zinc/00/31/84/328003184.db2.gz GYNWWBIFKNPQKO-AWEZNQCLSA-N 1 0 370.409 2.432 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187903677 328053543 /nfs/dbraw/zinc/05/35/43/328053543.db2.gz MIVMSQVSNMEIAL-UGSOOPFHSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000188033144 328061797 /nfs/dbraw/zinc/06/17/97/328061797.db2.gz WHZBBFHXBHPOCJ-YVEFUNNKSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)c1C ZINC000189127893 328129968 /nfs/dbraw/zinc/12/99/68/328129968.db2.gz AJZHEILZSXTBNO-CYBMUJFWSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1C ZINC000189211450 328134902 /nfs/dbraw/zinc/13/49/02/328134902.db2.gz SNRPOWPRYXEZPF-UHFFFAOYSA-N 1 0 361.423 2.293 20 5 FEBDRO CCCN1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000189418222 328147055 /nfs/dbraw/zinc/14/70/55/328147055.db2.gz FUZJAXLPXSSYIG-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000189861629 328172169 /nfs/dbraw/zinc/17/21/69/328172169.db2.gz FECJWIXQSJODRE-ZFWWWQNUSA-N 1 0 362.430 2.240 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190032857 328183803 /nfs/dbraw/zinc/18/38/03/328183803.db2.gz BZSGBWGUOLRJGN-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000190079660 328186518 /nfs/dbraw/zinc/18/65/18/328186518.db2.gz VVCWICDKCQEHEK-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO COC(=O)c1cnc(N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000190169990 328192346 /nfs/dbraw/zinc/19/23/46/328192346.db2.gz WOVXUFODUNWDJI-UHFFFAOYSA-N 1 0 350.419 2.477 20 5 FEBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191479574 328267626 /nfs/dbraw/zinc/26/76/26/328267626.db2.gz LGROCIOTCIDUHS-KRWDZBQOSA-N 1 0 357.410 2.383 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000191769335 328280775 /nfs/dbraw/zinc/28/07/75/328280775.db2.gz YBRGLKLFOHKQFE-UHFFFAOYSA-N 1 0 357.414 2.337 20 5 FEBDRO COc1cccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000192507646 328322827 /nfs/dbraw/zinc/32/28/27/328322827.db2.gz UUHPILVBQDCCCN-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000193135894 328359202 /nfs/dbraw/zinc/35/92/02/328359202.db2.gz IFQJQQKXEUCPNR-OLZOCXBDSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000193192631 328361993 /nfs/dbraw/zinc/36/19/93/328361993.db2.gz BOFQNBXUUMXKDL-UHFFFAOYSA-N 1 0 370.409 2.132 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193790169 328395299 /nfs/dbraw/zinc/39/52/99/328395299.db2.gz AXPBRKHWFRRBQP-KRWDZBQOSA-N 1 0 371.441 2.128 20 5 FEBDRO CC1CC[NH+](CCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193893139 328400713 /nfs/dbraw/zinc/40/07/13/328400713.db2.gz JEELQZLFWHFAGZ-UHFFFAOYSA-N 1 0 355.460 2.385 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000195509519 328481215 /nfs/dbraw/zinc/48/12/15/328481215.db2.gz ISFFYPVGSFRUML-UHFFFAOYSA-N 1 0 374.441 2.432 20 5 FEBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081034431 325156294 /nfs/dbraw/zinc/15/62/94/325156294.db2.gz YUVPZRIUZWGGAT-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000083025690 325210482 /nfs/dbraw/zinc/21/04/82/325210482.db2.gz WJTYTIUSLKUWCA-ZIAGYGMSSA-N 1 0 365.430 2.223 20 5 FEBDRO Cc1ccsc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000237775034 328528219 /nfs/dbraw/zinc/52/82/19/328528219.db2.gz MJOCBQRIOHETOU-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO [NH3+][C@H](CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000237841679 328530864 /nfs/dbraw/zinc/53/08/64/328530864.db2.gz FUTIGOBWPOGKFE-MRXNPFEDSA-N 1 0 354.410 2.334 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc(OC)c1OC ZINC000090539706 325362730 /nfs/dbraw/zinc/36/27/30/325362730.db2.gz LFPQZZGKMTWENR-LLVKDONJSA-N 1 0 350.375 2.168 20 5 FEBDRO CCC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000090798718 325368434 /nfs/dbraw/zinc/36/84/34/325368434.db2.gz LCGLVBZBPUDGLE-HZPDHXFCSA-N 1 0 355.460 2.450 20 5 FEBDRO CN1CC[NH+]([C@@H]2CCCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000091689202 325390154 /nfs/dbraw/zinc/39/01/54/325390154.db2.gz BCPAWCWQRBGIMF-QPGLYAHGSA-N 1 0 372.469 2.237 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]C/C=C/c2ccccc2)c1 ZINC000237971513 328536192 /nfs/dbraw/zinc/53/61/92/328536192.db2.gz FPUKYHUMAZYIQT-VMPITWQZSA-N 1 0 361.423 2.176 20 5 FEBDRO CN(CC[NH+]1CCCC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103116285 325507089 /nfs/dbraw/zinc/50/70/89/325507089.db2.gz PTPPOUQLLSQNIM-UHFFFAOYSA-N 1 0 357.414 2.163 20 5 FEBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103450701 325518157 /nfs/dbraw/zinc/51/81/57/325518157.db2.gz ANYONKUIQPZVGS-UHFFFAOYSA-N 1 0 371.441 2.409 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109985833 325681443 /nfs/dbraw/zinc/68/14/43/325681443.db2.gz CJRWFAKDLLOMTI-UHFFFAOYSA-N 1 0 358.398 2.042 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116589306 326026191 /nfs/dbraw/zinc/02/61/91/326026191.db2.gz BMNXTLIAKIXTAI-HNNXBMFYSA-N 1 0 364.446 2.324 20 5 FEBDRO CC(C)[NH2+]C1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117338970 326058323 /nfs/dbraw/zinc/05/83/23/326058323.db2.gz FRWLBDLKKNHMDK-UHFFFAOYSA-N 1 0 362.430 2.355 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000117727123 326068673 /nfs/dbraw/zinc/06/86/73/326068673.db2.gz FFGBUDLOSUWENJ-ZDUSSCGKSA-N 1 0 358.402 2.199 20 5 FEBDRO COC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866774 326110062 /nfs/dbraw/zinc/11/00/62/326110062.db2.gz PMKHOUFCKBLCKV-HNNXBMFYSA-N 1 0 356.382 2.463 20 5 FEBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000119274841 326144343 /nfs/dbraw/zinc/14/43/43/326144343.db2.gz GORFVCYVDAVWCE-LBPRGKRZSA-N 1 0 370.413 2.121 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119730646 326192626 /nfs/dbraw/zinc/19/26/26/326192626.db2.gz NILABHXGIIGGQW-HIFRSBDPSA-N 1 0 362.430 2.030 20 5 FEBDRO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119841765 326204139 /nfs/dbraw/zinc/20/41/39/326204139.db2.gz QIMKUMPJAKWJGH-GOSISDBHSA-N 1 0 359.426 2.123 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@@H](C)O1 ZINC000120341684 326250853 /nfs/dbraw/zinc/25/08/53/326250853.db2.gz IOQCWKZQBPAGNX-CHWSQXEVSA-N 1 0 360.414 2.305 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121434005 326338177 /nfs/dbraw/zinc/33/81/77/326338177.db2.gz VOGJYEYNTUYCOB-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000122332934 326392866 /nfs/dbraw/zinc/39/28/66/326392866.db2.gz WIJNTEOLAHEMEI-IAGOWNOFSA-N 1 0 365.405 2.232 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2OCC[NH+](C)C)c1 ZINC000122817201 326410207 /nfs/dbraw/zinc/41/02/07/326410207.db2.gz WEUPDPINHSZNSX-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO Cc1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1OCC[NH+]1CCCC1 ZINC000123717108 326440993 /nfs/dbraw/zinc/44/09/93/326440993.db2.gz ZEWUTXGEQSTANH-UHFFFAOYSA-N 1 0 373.413 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000125560183 326473754 /nfs/dbraw/zinc/47/37/54/326473754.db2.gz CCACJKBCWXQYIU-NEPJUHHUSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000128385929 326522831 /nfs/dbraw/zinc/52/28/31/326522831.db2.gz YZKSSNLHOLEQDE-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO COC(=O)c1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000129804220 326546645 /nfs/dbraw/zinc/54/66/45/326546645.db2.gz XARKOOOLUJPKIW-UHFFFAOYSA-N 1 0 363.414 2.232 20 5 FEBDRO C[NH+](C)C[C@@](C)(O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000131352177 326573295 /nfs/dbraw/zinc/57/32/95/326573295.db2.gz MSXFCZJIEDIFRD-INIZCTEOSA-N 1 0 350.444 2.121 20 5 FEBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000136456149 326652926 /nfs/dbraw/zinc/65/29/26/326652926.db2.gz KOYXPSVZADASOY-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000136948755 326656566 /nfs/dbraw/zinc/65/65/66/326656566.db2.gz VILFZKFLJCEGHP-LBPRGKRZSA-N 1 0 353.444 2.195 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000136996107 326657125 /nfs/dbraw/zinc/65/71/25/326657125.db2.gz MULYMRUAFIBWJO-OAHLLOKOSA-N 1 0 369.425 2.481 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160413709 326964730 /nfs/dbraw/zinc/96/47/30/326964730.db2.gz MARKFXUYIQOGHK-ZFWWWQNUSA-N 1 0 367.471 2.462 20 5 FEBDRO [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160912086 326982001 /nfs/dbraw/zinc/98/20/01/326982001.db2.gz MNUCZMYIUGUSHV-QISBLDNZSA-N 1 0 359.426 2.338 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000161099238 326988086 /nfs/dbraw/zinc/98/80/86/326988086.db2.gz HKBBIEOQJKWIDY-CYBMUJFWSA-N 1 0 366.487 2.073 20 5 FEBDRO Cc1noc(C)c1CN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000161711268 327007259 /nfs/dbraw/zinc/00/72/59/327007259.db2.gz MYGHHJTYGVWJLD-UHFFFAOYSA-N 1 0 372.425 2.395 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162776571 327034433 /nfs/dbraw/zinc/03/44/33/327034433.db2.gz CTYYLLNSUQIJEF-INIZCTEOSA-N 1 0 369.487 2.321 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000164275079 327067716 /nfs/dbraw/zinc/06/77/16/327067716.db2.gz WDGBWYUCHKODJR-TZMCWYRMSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000164278628 327067964 /nfs/dbraw/zinc/06/79/64/327067964.db2.gz HIYWQJNLIBSUAM-INIZCTEOSA-N 1 0 370.457 2.166 20 5 FEBDRO Cc1cc(S(=O)(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000172017099 327176320 /nfs/dbraw/zinc/17/63/20/327176320.db2.gz CSIAMXXMZUMIDQ-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCCO1 ZINC000172173158 327185572 /nfs/dbraw/zinc/18/55/72/327185572.db2.gz GWKCFPMULRHLNL-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172604015 327210698 /nfs/dbraw/zinc/21/06/98/327210698.db2.gz ASZBMNZFCDRGQW-ZFWWWQNUSA-N 1 0 357.414 2.193 20 5 FEBDRO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173046844 327232235 /nfs/dbraw/zinc/23/22/35/327232235.db2.gz PCFONOWVXZAHQT-ZDUSSCGKSA-N 1 0 359.430 2.487 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173845857 327288475 /nfs/dbraw/zinc/28/84/75/327288475.db2.gz UVQLMKRRKDTIOG-OAHLLOKOSA-N 1 0 364.446 2.348 20 5 FEBDRO O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000174008719 327301150 /nfs/dbraw/zinc/30/11/50/327301150.db2.gz HMXBCFCOJYKTHY-UHFFFAOYSA-N 1 0 368.437 2.423 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000174477909 327329620 /nfs/dbraw/zinc/32/96/20/327329620.db2.gz PSNBCUVDQXSVOF-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656001 327341792 /nfs/dbraw/zinc/34/17/92/327341792.db2.gz CTKHKSHJGFYEPG-CQSZACIVSA-N 1 0 369.219 2.047 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772798 327350023 /nfs/dbraw/zinc/35/00/23/327350023.db2.gz ZTZABZHEAQMNDO-RHSMWYFYSA-N 1 0 360.458 2.146 20 5 FEBDRO CC(C)COC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174802210 327352150 /nfs/dbraw/zinc/35/21/50/327352150.db2.gz QVKQRXHXOMNQEX-MRXNPFEDSA-N 1 0 352.431 2.472 20 5 FEBDRO Cc1nn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)c1[N+](=O)[O-] ZINC000174992343 327366248 /nfs/dbraw/zinc/36/62/48/327366248.db2.gz OHQPZLKWOOQHHQ-CVEARBPZSA-N 1 0 363.462 2.272 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)CC1CC[NH+](C)CC1 ZINC000175105411 327374672 /nfs/dbraw/zinc/37/46/72/327374672.db2.gz FKQVZETZNCSYIT-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000175397896 327390815 /nfs/dbraw/zinc/39/08/15/327390815.db2.gz OSCRNLDQKSACHD-HNNXBMFYSA-N 1 0 355.460 2.262 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175398328 327390858 /nfs/dbraw/zinc/39/08/58/327390858.db2.gz ABTCALYLDLHBTL-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000175669375 327405809 /nfs/dbraw/zinc/40/58/09/327405809.db2.gz PMEHJMUQBJEBTM-UHFFFAOYSA-N 1 0 355.398 2.088 20 5 FEBDRO Cc1c(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000176116363 327435336 /nfs/dbraw/zinc/43/53/36/327435336.db2.gz OYIQJDXMGCBBJN-UHFFFAOYSA-N 1 0 364.446 2.467 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000178826711 327609597 /nfs/dbraw/zinc/60/95/97/327609597.db2.gz QBDLXQMUVDZZEW-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000261829264 328822731 /nfs/dbraw/zinc/82/27/31/328822731.db2.gz KSIOEFFDECSAJZ-GYABFAJESA-N 1 0 369.425 2.416 20 5 FEBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1 ZINC000262746890 328886415 /nfs/dbraw/zinc/88/64/15/328886415.db2.gz AMQNRHXOHAPYQK-IUCAKERBSA-N 1 0 367.349 2.032 20 5 FEBDRO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000264381637 329016406 /nfs/dbraw/zinc/01/64/06/329016406.db2.gz FNCLBTCEKYBYBB-KRWDZBQOSA-N 1 0 360.458 2.145 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000264547540 329034671 /nfs/dbraw/zinc/03/46/71/329034671.db2.gz CEJNTKJTZLKDJU-HNNXBMFYSA-N 1 0 361.398 2.082 20 5 FEBDRO CC[NH+](CC)CCNC(=O)c1ccc(Oc2c([N+](=O)[O-])ncn2C)cc1 ZINC000265233642 329105309 /nfs/dbraw/zinc/10/53/09/329105309.db2.gz RHXBEZAQFJGPAS-UHFFFAOYSA-N 1 0 361.402 2.192 20 5 FEBDRO COc1cc(C(=O)NCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1OC ZINC000265915633 329172273 /nfs/dbraw/zinc/17/22/73/329172273.db2.gz AHIYTCIQWXBZSI-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920577 329172736 /nfs/dbraw/zinc/17/27/36/329172736.db2.gz CAQIJLIYKIAPRA-AAEUAGOBSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1OC ZINC000265951241 329175893 /nfs/dbraw/zinc/17/58/93/329175893.db2.gz MQBOSZCTGGGRHW-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986809 329179380 /nfs/dbraw/zinc/17/93/80/329179380.db2.gz KVRHHJQCCWMCBM-YPMHNXCESA-N 1 0 351.403 2.024 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323289 329211395 /nfs/dbraw/zinc/21/13/95/329211395.db2.gz HMPKYTXSZRKTLE-CYBMUJFWSA-N 1 0 357.414 2.363 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566487 329236870 /nfs/dbraw/zinc/23/68/70/329236870.db2.gz RLQDHQZYPFLRAC-ZIAGYGMSSA-N 1 0 363.414 2.311 20 5 FEBDRO CCc1ccc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266910590 329271896 /nfs/dbraw/zinc/27/18/96/329271896.db2.gz JEBMAUBGIQZSAN-UHFFFAOYSA-N 1 0 362.474 2.255 20 5 FEBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Br)CCOCC1 ZINC000267244134 329306341 /nfs/dbraw/zinc/30/63/41/329306341.db2.gz NDCSMYYZYYQEOS-UHFFFAOYSA-N 1 0 359.224 2.275 20 5 FEBDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267960729 329371963 /nfs/dbraw/zinc/37/19/63/329371963.db2.gz ZVHMWKYOOAKFJP-UHFFFAOYSA-N 1 0 367.402 2.253 20 5 FEBDRO CC(C)(C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000269178026 329493716 /nfs/dbraw/zinc/49/37/16/329493716.db2.gz ZEKAVLGUBOVYTR-UHFFFAOYSA-N 1 0 369.425 2.316 20 5 FEBDRO C[NH+](C)C1CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270876339 329640669 /nfs/dbraw/zinc/64/06/69/329640669.db2.gz CQLGHFYKCJEXFT-UHFFFAOYSA-N 1 0 372.267 2.190 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000272947504 329825763 /nfs/dbraw/zinc/82/57/63/329825763.db2.gz DALZSXMAJMJJIJ-QGZVFWFLSA-N 1 0 351.403 2.122 20 5 FEBDRO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CCC[NH2+]C1 ZINC000273002522 329829458 /nfs/dbraw/zinc/82/94/58/329829458.db2.gz NDSHOCFRQSOBLY-CQSZACIVSA-N 1 0 356.220 2.477 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000274106654 329915976 /nfs/dbraw/zinc/91/59/76/329915976.db2.gz VJLRSFIQPGAVOQ-IJLUTSLNSA-N 1 0 367.402 2.108 20 5 FEBDRO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000275078842 330008056 /nfs/dbraw/zinc/00/80/56/330008056.db2.gz CTUSBFWEQOKGAV-SECBINFHSA-N 1 0 372.303 2.236 20 5 FEBDRO COCCC[N@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275425121 330047294 /nfs/dbraw/zinc/04/72/94/330047294.db2.gz DBSKNSCIYJPABB-UHFFFAOYSA-N 1 0 357.382 2.047 20 5 FEBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276279725 330136600 /nfs/dbraw/zinc/13/66/00/330136600.db2.gz FEEBDVTYOVILLX-MJGOQNOKSA-N 1 0 372.425 2.123 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000411390701 330257348 /nfs/dbraw/zinc/25/73/48/330257348.db2.gz ARCOFNQLPFOQIT-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1cc(OCC(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000155650682 545553864 /nfs/dbraw/zinc/55/38/64/545553864.db2.gz PXHQEWJGJSNUBV-AWEZNQCLSA-N 1 0 351.403 2.006 20 5 FEBDRO O=C(NC1CC1)c1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000157586580 545758083 /nfs/dbraw/zinc/75/80/83/545758083.db2.gz BDDLJJDSVQJCCQ-UHFFFAOYSA-N 1 0 369.425 2.348 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159529108 545960704 /nfs/dbraw/zinc/96/07/04/545960704.db2.gz AXIUHDADXAWVRA-WBMJQRKESA-N 1 0 351.403 2.025 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000478435745 561166849 /nfs/dbraw/zinc/16/68/49/561166849.db2.gz PSGPETSMAWNZML-UHFFFAOYSA-N 1 0 370.409 2.198 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000478904706 561177789 /nfs/dbraw/zinc/17/77/89/561177789.db2.gz ALBICAGYBJZGKO-UHFFFAOYSA-N 1 0 357.370 2.353 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000161394184 546127077 /nfs/dbraw/zinc/12/70/77/546127077.db2.gz ANNPGOIDQHCMPR-CQSZACIVSA-N 1 0 355.398 2.139 20 5 FEBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)N(C)C ZINC000165733149 546153401 /nfs/dbraw/zinc/15/34/01/546153401.db2.gz ATPXLEKRQRZCKD-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000479600884 561193142 /nfs/dbraw/zinc/19/31/42/561193142.db2.gz MUVLFHFJGPPSJV-ALCCZGGFSA-N 1 0 358.398 2.062 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000480755687 561216006 /nfs/dbraw/zinc/21/60/06/561216006.db2.gz HIAOTADURVNYIY-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO O=C([C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000178003006 546721232 /nfs/dbraw/zinc/72/12/32/546721232.db2.gz MZAPTHPLMVFNHF-AWEZNQCLSA-N 1 0 367.833 2.319 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC([C@H](C)NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000481126137 561225763 /nfs/dbraw/zinc/22/57/63/561225763.db2.gz QAFVQZKKOGPLJI-ZDUSSCGKSA-N 1 0 365.430 2.219 20 5 FEBDRO [NH3+]C[C@@H]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000178550367 546810834 /nfs/dbraw/zinc/81/08/34/546810834.db2.gz XEMDDQZDZZTBAV-JTQLQIEISA-N 1 0 360.336 2.223 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179473783 546960228 /nfs/dbraw/zinc/96/02/28/546960228.db2.gz PPFGVSPBNZFANO-SJORKVTESA-N 1 0 368.393 2.095 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)C1CC1 ZINC000179981290 547035827 /nfs/dbraw/zinc/03/58/27/547035827.db2.gz NCHQWQXELVCDAW-IRXDYDNUSA-N 1 0 362.426 2.428 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000179994243 547036616 /nfs/dbraw/zinc/03/66/16/547036616.db2.gz LWXCLRNIGVGBOF-CYBMUJFWSA-N 1 0 352.341 2.099 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000180407862 547102963 /nfs/dbraw/zinc/10/29/63/547102963.db2.gz DZBJFJTWFAFTIR-LBPRGKRZSA-N 1 0 357.366 2.291 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000182522188 547507576 /nfs/dbraw/zinc/50/75/76/547507576.db2.gz LDQCARAPEOEKIL-UHFFFAOYSA-N 1 0 373.862 2.462 20 5 FEBDRO Cc1nn(CCC(=O)NCC[C@H](C)[NH+]2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000183170151 547614900 /nfs/dbraw/zinc/61/49/00/547614900.db2.gz OFCKADXEENKAPE-ZDUSSCGKSA-N 1 0 351.451 2.179 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000183311886 547636958 /nfs/dbraw/zinc/63/69/58/547636958.db2.gz JJHKWKZJCOMSEO-UHFFFAOYSA-N 1 0 371.441 2.279 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000183610726 547689612 /nfs/dbraw/zinc/68/96/12/547689612.db2.gz MHPKNQMYIMHRHU-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO Cc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000183893091 547735197 /nfs/dbraw/zinc/73/51/97/547735197.db2.gz WANVHTHSMDYKJV-UHFFFAOYSA-N 1 0 363.462 2.441 20 5 FEBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000183924329 547740407 /nfs/dbraw/zinc/74/04/07/547740407.db2.gz MZTNWZXIMCJOTR-UHFFFAOYSA-N 1 0 372.425 2.382 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2nc[nH]n2)no1 ZINC000184863663 547889597 /nfs/dbraw/zinc/88/95/97/547889597.db2.gz QGZARKLZJWMEKI-CYBMUJFWSA-N 1 0 357.374 2.292 20 5 FEBDRO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CCN1Cc1ccccc1 ZINC000184924430 547901770 /nfs/dbraw/zinc/90/17/70/547901770.db2.gz VZEPJHWPOPCXJO-HNNXBMFYSA-N 1 0 357.414 2.065 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185489051 547991981 /nfs/dbraw/zinc/99/19/81/547991981.db2.gz DQJMRIYKMZVCRN-OCCSQVGLSA-N 1 0 355.410 2.310 20 5 FEBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000185877931 548048739 /nfs/dbraw/zinc/04/87/39/548048739.db2.gz FBRVYDDLSZVHAP-DZGCQCFKSA-N 1 0 353.444 2.231 20 5 FEBDRO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186335697 548121191 /nfs/dbraw/zinc/12/11/91/548121191.db2.gz KTXDGZPNVJIWCZ-MRXNPFEDSA-N 1 0 371.441 2.373 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000186779171 548191248 /nfs/dbraw/zinc/19/12/48/548191248.db2.gz CAGDMCBGDOXYRM-AWEZNQCLSA-N 1 0 355.460 2.279 20 5 FEBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000186924742 548221055 /nfs/dbraw/zinc/22/10/55/548221055.db2.gz KBQSZIIIMHKRRL-NSHDSACASA-N 1 0 355.822 2.165 20 5 FEBDRO C[C@]1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1Cc1ccccc1 ZINC000194035950 548425872 /nfs/dbraw/zinc/42/58/72/548425872.db2.gz QESAJOOGAYVKHK-LJQANCHMSA-N 1 0 370.409 2.480 20 5 FEBDRO Nc1c(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000194746395 548526725 /nfs/dbraw/zinc/52/67/25/548526725.db2.gz JQPYROALLMUKSC-OAHLLOKOSA-N 1 0 354.410 2.429 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194752031 548527789 /nfs/dbraw/zinc/52/77/89/548527789.db2.gz XZOHKPJWNWKESY-OAHLLOKOSA-N 1 0 354.410 2.429 20 5 FEBDRO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000487441103 561369973 /nfs/dbraw/zinc/36/99/73/561369973.db2.gz FJGKGDNIAPNGGI-CQSZACIVSA-N 1 0 355.398 2.089 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000236876039 548786218 /nfs/dbraw/zinc/78/62/18/548786218.db2.gz LPPVVWLZSNPRBK-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000237270016 548814071 /nfs/dbraw/zinc/81/40/71/548814071.db2.gz OSRFLGKOEOSXSH-WCBMZHEXSA-N 1 0 359.329 2.062 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000237613490 548838728 /nfs/dbraw/zinc/83/87/28/548838728.db2.gz JWYAYFYHQOWKBJ-MFKMUULPSA-N 1 0 361.851 2.352 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245441634 548922347 /nfs/dbraw/zinc/92/23/47/548922347.db2.gz VOUIMRSBPQMIER-YJBOKZPZSA-N 1 0 360.458 2.364 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245553330 548945302 /nfs/dbraw/zinc/94/53/02/548945302.db2.gz RGUWDMQMAFEZFM-GDZNZVCISA-N 1 0 365.430 2.413 20 5 FEBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1ccnc1 ZINC000245602195 548956314 /nfs/dbraw/zinc/95/63/14/548956314.db2.gz MOETYOGWRVILBU-FHLIZLRMSA-N 1 0 369.425 2.480 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000246127111 549058549 /nfs/dbraw/zinc/05/85/49/549058549.db2.gz JJHDEDZOXVDWHV-GDBMZVCRSA-N 1 0 367.471 2.405 20 5 FEBDRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000246454254 549136713 /nfs/dbraw/zinc/13/67/13/549136713.db2.gz BZTCFVVIWWLIRN-MJGOQNOKSA-N 1 0 369.421 2.208 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246478347 549141798 /nfs/dbraw/zinc/14/17/98/549141798.db2.gz WOHPZSBDZABNIV-NEPJUHHUSA-N 1 0 373.862 2.496 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246691583 549190175 /nfs/dbraw/zinc/19/01/75/549190175.db2.gz DCFCOTVZLVMVEN-BBRMVZONSA-N 1 0 364.446 2.044 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247199128 549298418 /nfs/dbraw/zinc/29/84/18/549298418.db2.gz WEWOTGNAPFUIQQ-ZFWWWQNUSA-N 1 0 353.444 2.008 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000247318664 549316724 /nfs/dbraw/zinc/31/67/24/549316724.db2.gz INVRBEHLYQWUNK-UONOGXRCSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000247342703 549322673 /nfs/dbraw/zinc/32/26/73/549322673.db2.gz JGLMBQBQNRLIIF-WCQYABFASA-N 1 0 351.403 2.024 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247654897 549368792 /nfs/dbraw/zinc/36/87/92/549368792.db2.gz WYGRROWAOAOVBP-FZMZJTMJSA-N 1 0 373.862 2.353 20 5 FEBDRO O=C1[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000252653419 549675994 /nfs/dbraw/zinc/67/59/94/549675994.db2.gz YUBSJNOUHRJOIL-BJZITVGISA-N 1 0 359.426 2.327 20 5 FEBDRO O=C(CN1CC[NH2+]C[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000261613282 549734996 /nfs/dbraw/zinc/73/49/96/549734996.db2.gz CCXGQYUSBAERJA-KRWDZBQOSA-N 1 0 358.373 2.319 20 5 FEBDRO O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262194756 549797193 /nfs/dbraw/zinc/79/71/93/549797193.db2.gz VDFCQGRVTVWAIB-OAGGEKHMSA-N 1 0 358.442 2.164 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263652062 549913805 /nfs/dbraw/zinc/91/38/05/549913805.db2.gz HHQOCORTMVYWDR-UHFFFAOYSA-N 1 0 373.457 2.437 20 5 FEBDRO CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000490668306 561437036 /nfs/dbraw/zinc/43/70/36/561437036.db2.gz GIRODRIOFQNJBC-UHFFFAOYSA-N 1 0 359.386 2.456 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264080384 549976897 /nfs/dbraw/zinc/97/68/97/549976897.db2.gz ZKYPQJPOZONACD-UHFFFAOYSA-N 1 0 353.444 2.493 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000268528217 550082566 /nfs/dbraw/zinc/08/25/66/550082566.db2.gz CZRPTMNUOOZHPD-CQSZACIVSA-N 1 0 364.446 2.190 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@H]21 ZINC000268831399 550121280 /nfs/dbraw/zinc/12/12/80/550121280.db2.gz MKVMUJTULZBPTE-UKRRQHHQSA-N 1 0 360.414 2.472 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@H]21 ZINC000268831393 550121666 /nfs/dbraw/zinc/12/16/66/550121666.db2.gz MKVMUJTULZBPTE-DZGCQCFKSA-N 1 0 360.414 2.472 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907518 550129830 /nfs/dbraw/zinc/12/98/30/550129830.db2.gz LSCNLTLPQBGXHE-CABCVRRESA-N 1 0 362.430 2.229 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000268971353 550139305 /nfs/dbraw/zinc/13/93/05/550139305.db2.gz MXFOTBAECFWNNI-JKSUJKDBSA-N 1 0 365.455 2.438 20 5 FEBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000269415508 550192746 /nfs/dbraw/zinc/19/27/46/550192746.db2.gz WJTYFWOTJKKYEC-UHFFFAOYSA-N 1 0 366.487 2.287 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000270787561 550306943 /nfs/dbraw/zinc/30/69/43/550306943.db2.gz LJDAPQTXRZVSEE-UHFFFAOYSA-N 1 0 371.441 2.109 20 5 FEBDRO COC(=O)c1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000270986168 550328950 /nfs/dbraw/zinc/32/89/50/550328950.db2.gz JZZPNYKDJTVFAA-LBPRGKRZSA-N 1 0 363.414 2.184 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN(CC)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271189851 550350664 /nfs/dbraw/zinc/35/06/64/550350664.db2.gz XNCVWXUZGGTBJW-CYBMUJFWSA-N 1 0 373.475 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272410109 550445010 /nfs/dbraw/zinc/44/50/10/550445010.db2.gz CBHVFQDPMDSCOA-YPMHNXCESA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000272516481 550454437 /nfs/dbraw/zinc/45/44/37/550454437.db2.gz NGOWPGMRVJAKQO-GFCCVEGCSA-N 1 0 355.460 2.165 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272571131 550458567 /nfs/dbraw/zinc/45/85/67/550458567.db2.gz LGOUUQODUJRDGR-NHYWBVRUSA-N 1 0 352.822 2.484 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC([NH+]2CCCCC2)CC1 ZINC000273077525 550484097 /nfs/dbraw/zinc/48/40/97/550484097.db2.gz WUQKIVGFTWLSBY-KRWDZBQOSA-N 1 0 363.458 2.285 20 5 FEBDRO CC[C@@H]1CN(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000494495758 561470787 /nfs/dbraw/zinc/47/07/87/561470787.db2.gz OHMVKVCCJPQWQY-WMLDXEAASA-N 1 0 364.446 2.012 20 5 FEBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000494542049 561471399 /nfs/dbraw/zinc/47/13/99/561471399.db2.gz AVGOHUSKWCPABQ-CQSZACIVSA-N 1 0 374.363 2.246 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273821752 550512328 /nfs/dbraw/zinc/51/23/28/550512328.db2.gz DAKPMDMYXCZXFS-UHFFFAOYSA-N 1 0 367.421 2.239 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277021702 550622896 /nfs/dbraw/zinc/62/28/96/550622896.db2.gz ANKDJCSZEAGWGN-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277581331 550687371 /nfs/dbraw/zinc/68/73/71/550687371.db2.gz UCNFJJTUPVGLTC-ZDUSSCGKSA-N 1 0 366.418 2.226 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278059487 550744095 /nfs/dbraw/zinc/74/40/95/550744095.db2.gz MVYASPKIMBJYTC-HXUWFJFHSA-N 1 0 353.422 2.136 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278350620 550775787 /nfs/dbraw/zinc/77/57/87/550775787.db2.gz AVKOJJNCXHWGKL-CYBMUJFWSA-N 1 0 371.384 2.304 20 5 FEBDRO C[N@@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278381973 550779268 /nfs/dbraw/zinc/77/92/68/550779268.db2.gz ATNIWQPZOFFNQX-UHFFFAOYSA-N 1 0 360.336 2.461 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278640912 550807187 /nfs/dbraw/zinc/80/71/87/550807187.db2.gz JBDMGXLYDYOICR-BLLLJJGKSA-N 1 0 372.429 2.097 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000278786163 550821876 /nfs/dbraw/zinc/82/18/76/550821876.db2.gz OORCUTUATPOXSP-INWMFGNUSA-N 1 0 351.403 2.014 20 5 FEBDRO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000278786167 550821902 /nfs/dbraw/zinc/82/19/02/550821902.db2.gz OORCUTUATPOXSP-IVMMDQJWSA-N 1 0 351.403 2.014 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279119782 550856047 /nfs/dbraw/zinc/85/60/47/550856047.db2.gz ZOWGDJUDCMMJAH-CQSZACIVSA-N 1 0 357.414 2.148 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279158229 550859919 /nfs/dbraw/zinc/85/99/19/550859919.db2.gz FMCFQUFRFKJJKF-CYBMUJFWSA-N 1 0 372.425 2.401 20 5 FEBDRO O=C1C[C@]2(CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CN1 ZINC000279395776 550885518 /nfs/dbraw/zinc/88/55/18/550885518.db2.gz KOLCWRVILFEDEN-QGZVFWFLSA-N 1 0 358.423 2.430 20 5 FEBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000495471498 561488654 /nfs/dbraw/zinc/48/86/54/561488654.db2.gz YJLVLJNERPWBDK-DJIMGWMZSA-N 1 0 352.431 2.063 20 5 FEBDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC ZINC000281191480 551072492 /nfs/dbraw/zinc/07/24/92/551072492.db2.gz BSYVVUCPERMFFX-LLVKDONJSA-N 1 0 355.366 2.336 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281569575 551114426 /nfs/dbraw/zinc/11/44/26/551114426.db2.gz CMAMCDNVTDSUDW-OXJNMPFZSA-N 1 0 372.421 2.148 20 5 FEBDRO C[NH+]1CCC(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000497620732 561504858 /nfs/dbraw/zinc/50/48/58/561504858.db2.gz HTIOAASPTJUAHJ-UHFFFAOYSA-N 1 0 354.838 2.432 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000498500936 561526128 /nfs/dbraw/zinc/52/61/28/561526128.db2.gz ZQBDZXCLXFULMF-UFGOTCBOSA-N 1 0 368.821 2.080 20 5 FEBDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000284978308 551681644 /nfs/dbraw/zinc/68/16/44/551681644.db2.gz LZVSVYFWVRUQLK-UHFFFAOYSA-N 1 0 363.805 2.366 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000498722218 561532711 /nfs/dbraw/zinc/53/27/11/561532711.db2.gz WVLQKDVPKJLOOR-ZDUSSCGKSA-N 1 0 367.471 2.389 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285190344 551718317 /nfs/dbraw/zinc/71/83/17/551718317.db2.gz CIVOREYVOIUYFN-JSGCOSHPSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285328725 551739021 /nfs/dbraw/zinc/73/90/21/551739021.db2.gz NROGRPKDOWGCFK-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417454 551753022 /nfs/dbraw/zinc/75/30/22/551753022.db2.gz BRNMXFJRMWULDT-ARFHVFGLSA-N 1 0 352.431 2.350 20 5 FEBDRO O=C(CN1CCC[C@](O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000285688332 551795323 /nfs/dbraw/zinc/79/53/23/551795323.db2.gz VHUAUUPPHJLLJR-CQSZACIVSA-N 1 0 361.320 2.313 20 5 FEBDRO CCC[NH+]1CCC(N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000286198603 551860177 /nfs/dbraw/zinc/86/01/77/551860177.db2.gz KCVVUEVAWASTPV-UHFFFAOYSA-N 1 0 350.419 2.395 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1cc[nH]n1 ZINC000286270712 551867747 /nfs/dbraw/zinc/86/77/47/551867747.db2.gz UBIARZSNJSBACV-HNNXBMFYSA-N 1 0 359.386 2.492 20 5 FEBDRO COc1cc(N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000286318762 551873675 /nfs/dbraw/zinc/87/36/75/551873675.db2.gz JBQBARAAWWXBOD-STQMWFEESA-N 1 0 353.394 2.432 20 5 FEBDRO C[N@@H+]1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000286621556 551907205 /nfs/dbraw/zinc/90/72/05/551907205.db2.gz YUIAKJCBUYAVMM-UHFFFAOYSA-N 1 0 350.448 2.037 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287203626 551975876 /nfs/dbraw/zinc/97/58/76/551975876.db2.gz OWBVMGPSCJCXHW-BBRMVZONSA-N 1 0 362.430 2.372 20 5 FEBDRO CCOc1cc(C(=O)NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000499476351 561551887 /nfs/dbraw/zinc/55/18/87/561551887.db2.gz HGYMVSZXGHAFHW-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000288360190 552140278 /nfs/dbraw/zinc/14/02/78/552140278.db2.gz KORMROJYSOSPLV-CMPLNLGQSA-N 1 0 361.427 2.298 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000288543780 552172305 /nfs/dbraw/zinc/17/23/05/552172305.db2.gz AMVXIQZDWCOBOD-KRWDZBQOSA-N 1 0 362.386 2.336 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000288823523 552219248 /nfs/dbraw/zinc/21/92/48/552219248.db2.gz IJERFZIRCGTCTO-IRXDYDNUSA-N 1 0 373.457 2.415 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289355493 552306680 /nfs/dbraw/zinc/30/66/80/552306680.db2.gz YMKCPMOEKSNDKD-HNNXBMFYSA-N 1 0 360.458 2.012 20 5 FEBDRO C[C@H](O)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289465742 552326215 /nfs/dbraw/zinc/32/62/15/552326215.db2.gz IPLYIISCJFELHG-VIFPVBQESA-N 1 0 364.183 2.450 20 5 FEBDRO C[C@@H](O)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289549530 552339240 /nfs/dbraw/zinc/33/92/40/552339240.db2.gz QBTYCNTVJKEUHB-MRVPVSSYSA-N 1 0 350.156 2.060 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000289893942 552395683 /nfs/dbraw/zinc/39/56/83/552395683.db2.gz TYLFVOZDGFLLBY-OLZOCXBDSA-N 1 0 350.419 2.076 20 5 FEBDRO Cc1c(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000290101907 552427936 /nfs/dbraw/zinc/42/79/36/552427936.db2.gz JZJMXXHLFUBGGA-CYBMUJFWSA-N 1 0 362.386 2.273 20 5 FEBDRO C[C@@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291191507 552598090 /nfs/dbraw/zinc/59/80/90/552598090.db2.gz STVRBJSFVYINJQ-DOMZBBRYSA-N 1 0 355.398 2.164 20 5 FEBDRO C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292718142 552752413 /nfs/dbraw/zinc/75/24/13/552752413.db2.gz FOCOJGZFCWMILF-HNNXBMFYSA-N 1 0 373.862 2.355 20 5 FEBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(CO)cc2)CC1 ZINC000293110133 552789767 /nfs/dbraw/zinc/78/97/67/552789767.db2.gz LPGONUOJVDVHAR-UHFFFAOYSA-N 1 0 355.394 2.045 20 5 FEBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293676668 552846215 /nfs/dbraw/zinc/84/62/15/552846215.db2.gz RCRJMABOQHEALO-CYBMUJFWSA-N 1 0 364.423 2.295 20 5 FEBDRO COc1cc(S(=O)(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293755539 552853350 /nfs/dbraw/zinc/85/33/50/552853350.db2.gz JHMKDTVRDDOKTA-UHFFFAOYSA-N 1 0 371.459 2.148 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000293803620 552857581 /nfs/dbraw/zinc/85/75/81/552857581.db2.gz NPFDJWRNMNABFO-UHFFFAOYSA-N 1 0 371.459 2.148 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294032015 552876790 /nfs/dbraw/zinc/87/67/90/552876790.db2.gz KCNMQZUWBUUCDU-GFCCVEGCSA-N 1 0 363.443 2.472 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294539187 552914108 /nfs/dbraw/zinc/91/41/08/552914108.db2.gz MRSJGMPJBUHXIW-GFCCVEGCSA-N 1 0 355.398 2.199 20 5 FEBDRO Cc1c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000294759900 552932287 /nfs/dbraw/zinc/93/22/87/552932287.db2.gz DWLPNLIQOOQCEU-LBPRGKRZSA-N 1 0 350.375 2.382 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC000295231995 552973144 /nfs/dbraw/zinc/97/31/44/552973144.db2.gz BSRCVOQFRFSXDY-CQSZACIVSA-N 1 0 369.425 2.337 20 5 FEBDRO COc1cc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000295263164 552978316 /nfs/dbraw/zinc/97/83/16/552978316.db2.gz GGVYFSKDQNZFSY-GFCCVEGCSA-N 1 0 363.414 2.168 20 5 FEBDRO Cc1nn([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000295380253 552996391 /nfs/dbraw/zinc/99/63/91/552996391.db2.gz QCMXKANPWORSPM-HNNXBMFYSA-N 1 0 371.441 2.442 20 5 FEBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000502416812 561617964 /nfs/dbraw/zinc/61/79/64/561617964.db2.gz QHLQTYXRGRVVHN-GFCCVEGCSA-N 1 0 367.427 2.434 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098099 553104374 /nfs/dbraw/zinc/10/43/74/553104374.db2.gz HTNHMOHJNZOZDY-HZPDHXFCSA-N 1 0 363.414 2.479 20 5 FEBDRO CCn1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000296109717 553106283 /nfs/dbraw/zinc/10/62/83/553106283.db2.gz QJFGKURRUYGBBK-LBPRGKRZSA-N 1 0 361.402 2.499 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296326651 553141912 /nfs/dbraw/zinc/14/19/12/553141912.db2.gz QMTZAHXVRBYLID-JCURWCKSSA-N 1 0 363.414 2.335 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000502619232 561622260 /nfs/dbraw/zinc/62/22/60/561622260.db2.gz CGHIKKMYCCHHHP-AVGNSLFASA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1cc(F)c(NC(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000296843929 553219151 /nfs/dbraw/zinc/21/91/51/553219151.db2.gz UFGNKDZLFODDJD-NEPJUHHUSA-N 1 0 354.382 2.273 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297733685 553331897 /nfs/dbraw/zinc/33/18/97/553331897.db2.gz CBLFOCOYPZNOHX-HNNXBMFYSA-N 1 0 362.430 2.222 20 5 FEBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297775997 553337446 /nfs/dbraw/zinc/33/74/46/553337446.db2.gz GKTGOOYTMQPEMB-CHWSQXEVSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000297950499 553361658 /nfs/dbraw/zinc/36/16/58/553361658.db2.gz SSLYISDQUCKNTO-UHFFFAOYSA-N 1 0 362.430 2.142 20 5 FEBDRO CC1=CC[N@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000503269442 561638529 /nfs/dbraw/zinc/63/85/29/561638529.db2.gz ZELMFPHOKBFCOE-UHFFFAOYSA-N 1 0 355.398 2.162 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000298117206 553386330 /nfs/dbraw/zinc/38/63/30/553386330.db2.gz MQPAJMKPCDCHBP-UHFFFAOYSA-N 1 0 362.430 2.221 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)c1cccc(Br)c1 ZINC000298410942 553422105 /nfs/dbraw/zinc/42/21/05/553422105.db2.gz PCZKZSOJOFJPRI-ZDUSSCGKSA-N 1 0 369.219 2.219 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000298502625 553433317 /nfs/dbraw/zinc/43/33/17/553433317.db2.gz ZMUCTCHAETVNJN-LBPRGKRZSA-N 1 0 363.414 2.216 20 5 FEBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000298596730 553446599 /nfs/dbraw/zinc/44/65/99/553446599.db2.gz SAZBKPGJCBMLSQ-YJBOKZPZSA-N 1 0 365.430 2.079 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000298610112 553448661 /nfs/dbraw/zinc/44/86/61/553448661.db2.gz MCZLIONEOZIEDG-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113068 553516950 /nfs/dbraw/zinc/51/69/50/553516950.db2.gz WUUYXYVDDODTFL-SJORKVTESA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000299296940 553543922 /nfs/dbraw/zinc/54/39/22/553543922.db2.gz MRBNZYOSDBUDQF-ZBFHGGJFSA-N 1 0 374.441 2.235 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299435558 553562800 /nfs/dbraw/zinc/56/28/00/553562800.db2.gz XXJNNPQZEHKKPY-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000299446037 553563908 /nfs/dbraw/zinc/56/39/08/553563908.db2.gz YQRAISKGNCPDOZ-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299582189 553584478 /nfs/dbraw/zinc/58/44/78/553584478.db2.gz YWDPJIPQVIAMPO-HZPDHXFCSA-N 1 0 360.458 2.225 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299604026 553587672 /nfs/dbraw/zinc/58/76/72/553587672.db2.gz IQGZDCGKOVHXCN-UHFFFAOYSA-N 1 0 362.430 2.176 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572232 553662198 /nfs/dbraw/zinc/66/21/98/553662198.db2.gz LETMUGXUWSEPBU-CXAGYDPISA-N 1 0 369.425 2.411 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301803554 553681163 /nfs/dbraw/zinc/68/11/63/553681163.db2.gz UXTRTFPZFQHFHA-CYBMUJFWSA-N 1 0 354.401 2.479 20 5 FEBDRO CC(=O)c1ccc(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000301810626 553681532 /nfs/dbraw/zinc/68/15/32/553681532.db2.gz XFXJWTVCCNHBAY-QGZVFWFLSA-N 1 0 360.458 2.404 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(NC3CC[NH+](CC4(O)CCCCC4)CC3)nn21 ZINC000302014552 553698057 /nfs/dbraw/zinc/69/80/57/553698057.db2.gz BQMVXNONHMMCER-UHFFFAOYSA-N 1 0 374.445 2.209 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059570 553700976 /nfs/dbraw/zinc/70/09/76/553700976.db2.gz BCPPOONAHBZHFK-UPJWGTAASA-N 1 0 370.475 2.021 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302141650 553706402 /nfs/dbraw/zinc/70/64/02/553706402.db2.gz PCVWNEIVRIPVLV-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO Cc1cc(NCC(C)(C)NS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302162071 553707614 /nfs/dbraw/zinc/70/76/14/553707614.db2.gz KCBCPQGHBMPNJB-UHFFFAOYSA-N 1 0 352.416 2.191 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505294079 561669306 /nfs/dbraw/zinc/66/93/06/561669306.db2.gz QKCFYFIQCACCJN-UHFFFAOYSA-N 1 0 364.446 2.419 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000505316323 561669497 /nfs/dbraw/zinc/66/94/97/561669497.db2.gz JDZHLMNEYCTSJN-UHFFFAOYSA-N 1 0 364.446 2.419 20 5 FEBDRO COc1cc[nH+]c(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)c1 ZINC000302904776 553741216 /nfs/dbraw/zinc/74/12/16/553741216.db2.gz VGPHYWKIAINXSD-UHFFFAOYSA-N 1 0 355.398 2.293 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000330665129 554153039 /nfs/dbraw/zinc/15/30/39/554153039.db2.gz VFBXDKVMUZGPGL-UONOGXRCSA-N 1 0 357.863 2.295 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330932017 554190570 /nfs/dbraw/zinc/19/05/70/554190570.db2.gz WPKABYKQSJMBBZ-ZDUSSCGKSA-N 1 0 370.247 2.452 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000331099936 554212572 /nfs/dbraw/zinc/21/25/72/554212572.db2.gz OAPZKCZASILAAD-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331877363 554336914 /nfs/dbraw/zinc/33/69/14/554336914.db2.gz HWWAUELJMBXNTI-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO O=C1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H]2CCCCN12 ZINC000509398497 561797601 /nfs/dbraw/zinc/79/76/01/561797601.db2.gz ANBGEJPGHCSWAM-CHWSQXEVSA-N 1 0 355.341 2.439 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000332013174 554363380 /nfs/dbraw/zinc/36/33/80/554363380.db2.gz PMRKIGYUJSSYSB-GWCFXTLKSA-N 1 0 355.341 2.362 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000332316742 554423822 /nfs/dbraw/zinc/42/38/22/554423822.db2.gz YRBWYCZAVOSLRG-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000361277558 554913748 /nfs/dbraw/zinc/91/37/48/554913748.db2.gz CDKJAVGMUVOCDT-ODUKCIPISA-N 1 0 359.426 2.318 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361581161 554925515 /nfs/dbraw/zinc/92/55/15/554925515.db2.gz HTEAACCBCOBVPE-MRXNPFEDSA-N 1 0 369.425 2.481 20 5 FEBDRO CCc1nc(CN2C[C@@H]3CN(c4ccc([N+](=O)[O-])c(C)c4)C[C@@H]3C2)no1 ZINC000361768758 554933800 /nfs/dbraw/zinc/93/38/00/554933800.db2.gz QQGHCNJNGNJIIH-OKILXGFUSA-N 1 0 357.414 2.417 20 5 FEBDRO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853152 554993466 /nfs/dbraw/zinc/99/34/66/554993466.db2.gz UBYVAHVOHCSTQF-CVEARBPZSA-N 1 0 358.442 2.118 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362863657 554994215 /nfs/dbraw/zinc/99/42/15/554994215.db2.gz VXAACCWDEPNJBP-BPUTZDHNSA-N 1 0 362.430 2.127 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2ccnn2C)C1 ZINC000363095582 555029194 /nfs/dbraw/zinc/02/91/94/555029194.db2.gz KPHVUIFATZATJO-AWEZNQCLSA-N 1 0 357.414 2.455 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363257807 555065895 /nfs/dbraw/zinc/06/58/95/555065895.db2.gz BAFDXXXRLWUIHS-YSVLISHTSA-N 1 0 365.455 2.008 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363259325 555066088 /nfs/dbraw/zinc/06/60/88/555066088.db2.gz NCHXNLKKUPHLNY-DZKIICNBSA-N 1 0 365.455 2.008 20 5 FEBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414025 555100019 /nfs/dbraw/zinc/10/00/19/555100019.db2.gz JGVNAQGTPCEILX-BPQIPLTHSA-N 1 0 359.426 2.377 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1c1ccc(F)cc1 ZINC000363745794 555177323 /nfs/dbraw/zinc/17/73/23/555177323.db2.gz PVUASLGEKNXKJV-HUUCEWRRSA-N 1 0 369.356 2.177 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000363799478 555188624 /nfs/dbraw/zinc/18/86/24/555188624.db2.gz ZAKYRYHSNGEAQF-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO Nc1c(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000364204392 555269276 /nfs/dbraw/zinc/26/92/76/555269276.db2.gz KLBQSBHBZGAXDB-KGLIPLIRSA-N 1 0 362.336 2.022 20 5 FEBDRO [NH3+][C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1 ZINC000364204259 555269307 /nfs/dbraw/zinc/26/93/07/555269307.db2.gz ZBZPWOOLASPENL-CABCVRRESA-N 1 0 359.357 2.066 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000512402579 561903562 /nfs/dbraw/zinc/90/35/62/561903562.db2.gz CUSVYHHTDOXJJO-UHFFFAOYSA-N 1 0 355.394 2.316 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]1c1ncc[nH]1 ZINC000364720108 555384802 /nfs/dbraw/zinc/38/48/02/555384802.db2.gz BTNPQIQXVTYBGO-ZDUSSCGKSA-N 1 0 350.400 2.461 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000364743351 555391667 /nfs/dbraw/zinc/39/16/67/555391667.db2.gz QBJYTMYGULOYLJ-IRXDYDNUSA-N 1 0 360.414 2.086 20 5 FEBDRO C[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000512658890 561911712 /nfs/dbraw/zinc/91/17/12/561911712.db2.gz ATNOINRZRPOIAP-HZSPNIEDSA-N 1 0 355.460 2.287 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1cccs1 ZINC000364965460 555451909 /nfs/dbraw/zinc/45/19/09/555451909.db2.gz UBDFUXHIWAKBKA-HZMBPMFUSA-N 1 0 361.427 2.056 20 5 FEBDRO CN1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365142114 555494062 /nfs/dbraw/zinc/49/40/62/555494062.db2.gz PBDZYNDCJYVLOV-HNNXBMFYSA-N 1 0 361.446 2.086 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365204508 555510620 /nfs/dbraw/zinc/51/06/20/555510620.db2.gz RPMIMOCNVRSPLY-LNLFQRSKSA-N 1 0 373.384 2.329 20 5 FEBDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512983049 561921730 /nfs/dbraw/zinc/92/17/30/561921730.db2.gz LESBTDNRZIFGQD-ZDUSSCGKSA-N 1 0 361.851 2.152 20 5 FEBDRO O=C(C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000365272636 555528750 /nfs/dbraw/zinc/52/87/50/555528750.db2.gz XRGSQFSLCVXWGH-AUUYWEPGSA-N 1 0 355.394 2.419 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000365340195 555548457 /nfs/dbraw/zinc/54/84/57/555548457.db2.gz NRWBVGDRAPOGAG-AWEZNQCLSA-N 1 0 366.849 2.100 20 5 FEBDRO Nc1nccc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366011325 555726745 /nfs/dbraw/zinc/72/67/45/555726745.db2.gz UAOXXTFOBPTBGM-CYBMUJFWSA-N 1 0 370.413 2.175 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000366068312 555742171 /nfs/dbraw/zinc/74/21/71/555742171.db2.gz PJFHMEMOXJHBGX-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000366192921 555776993 /nfs/dbraw/zinc/77/69/93/555776993.db2.gz PZILIIDNZSQYDD-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000366197524 555778398 /nfs/dbraw/zinc/77/83/98/555778398.db2.gz SROHAPHJRSFITM-ZDUSSCGKSA-N 1 0 365.455 2.300 20 5 FEBDRO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000366459846 555850356 /nfs/dbraw/zinc/85/03/56/555850356.db2.gz HJDQSECBXDHQJY-KBXCAEBGSA-N 1 0 358.442 2.265 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366570076 555878761 /nfs/dbraw/zinc/87/87/61/555878761.db2.gz PKYYINXBQAKTCT-CYBMUJFWSA-N 1 0 368.231 2.158 20 5 FEBDRO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366744281 555923396 /nfs/dbraw/zinc/92/33/96/555923396.db2.gz ICZDEBIWNLVIQA-KFWWJZLASA-N 1 0 363.462 2.321 20 5 FEBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000366958154 555981826 /nfs/dbraw/zinc/98/18/26/555981826.db2.gz AACWJKFVFQPFFZ-RYUDHWBXSA-N 1 0 359.785 2.176 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367437474 556048483 /nfs/dbraw/zinc/04/84/83/556048483.db2.gz WNMUGOGPAWJRGI-RDTXWAMCSA-N 1 0 360.458 2.260 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CC[NH+](C)CC1 ZINC000367454128 556054498 /nfs/dbraw/zinc/05/44/98/556054498.db2.gz LXRQPQKLNFPLBX-WAVCKPEOSA-N 1 0 372.469 2.235 20 5 FEBDRO C[NH+](C)CCNS(=O)(=O)c1ccc(NCCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000515078331 561995503 /nfs/dbraw/zinc/99/55/03/561995503.db2.gz RFZSPEDRSLXBND-UHFFFAOYSA-N 1 0 372.491 2.283 20 5 FEBDRO Cn1ccnc1[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000515166682 561998880 /nfs/dbraw/zinc/99/88/80/561998880.db2.gz ZSCKUZORMDLIEM-CJNGLKHVSA-N 1 0 373.413 2.167 20 5 FEBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395864 556296220 /nfs/dbraw/zinc/29/62/20/556296220.db2.gz WUCWUEZSBWRIGE-RISCZKNCSA-N 1 0 351.378 2.233 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000368472158 556319674 /nfs/dbraw/zinc/31/96/74/556319674.db2.gz ZBVVLVHSGOGMGA-CLCXKQKWSA-N 1 0 364.409 2.377 20 5 FEBDRO Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000515570610 562015630 /nfs/dbraw/zinc/01/56/30/562015630.db2.gz QTMOFHLYKZSTAB-LUXYFRNMSA-N 1 0 374.445 2.376 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000369172274 556525020 /nfs/dbraw/zinc/52/50/20/556525020.db2.gz AHYFAOXWJGIQPZ-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370005496 556755573 /nfs/dbraw/zinc/75/55/73/556755573.db2.gz GBNLJIIZIGUVQC-ZIAGYGMSSA-N 1 0 357.414 2.220 20 5 FEBDRO COCCC[N@@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370168283 556800482 /nfs/dbraw/zinc/80/04/82/556800482.db2.gz BVHGHRWPKKKTER-UHFFFAOYSA-N 1 0 351.447 2.408 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370421093 556868217 /nfs/dbraw/zinc/86/82/17/556868217.db2.gz CMSPYQXXKUHSJJ-KRWDZBQOSA-N 1 0 360.458 2.144 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000370505778 556893541 /nfs/dbraw/zinc/89/35/41/556893541.db2.gz YLKFUMHUQRJAPB-INIZCTEOSA-N 1 0 355.394 2.493 20 5 FEBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000516858640 562061058 /nfs/dbraw/zinc/06/10/58/562061058.db2.gz RJDVDQABBGPHLE-OAHLLOKOSA-N 1 0 357.414 2.348 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000371083582 557069349 /nfs/dbraw/zinc/06/93/49/557069349.db2.gz CQWWGETXCCICAF-MEDUHNTESA-N 1 0 366.805 2.058 20 5 FEBDRO Cc1ccc(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000371420344 557181675 /nfs/dbraw/zinc/18/16/75/557181675.db2.gz WFDCRWKBINQBKQ-UHFFFAOYSA-N 1 0 369.425 2.109 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000518023961 562102864 /nfs/dbraw/zinc/10/28/64/562102864.db2.gz YAMANWOCSMQQJZ-CQSZACIVSA-N 1 0 362.430 2.231 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000371813382 557300626 /nfs/dbraw/zinc/30/06/26/557300626.db2.gz CDGINEQOPRWZRM-UHFFFAOYSA-N 1 0 369.421 2.319 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000518756475 562117708 /nfs/dbraw/zinc/11/77/08/562117708.db2.gz NKASZXQCBTVXDR-LYOVBCGYSA-N 1 0 351.403 2.118 20 5 FEBDRO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518957481 562121735 /nfs/dbraw/zinc/12/17/35/562121735.db2.gz HTRKORSJPDZUFQ-KRWDZBQOSA-N 1 0 355.398 2.089 20 5 FEBDRO COc1cc(OCC(=O)NC[C@H]2CCCn3cc(C)nc32)ccc1[N+](=O)[O-] ZINC000372251409 557421485 /nfs/dbraw/zinc/42/14/85/557421485.db2.gz JMUWZWLGHUQKKH-CYBMUJFWSA-N 1 0 374.397 2.181 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372296553 557432670 /nfs/dbraw/zinc/43/26/70/557432670.db2.gz RJZZALRXNCJYBN-SJLPKXTDSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000372328990 557441426 /nfs/dbraw/zinc/44/14/26/557441426.db2.gz DZWGGPKGNIHSFH-CQSZACIVSA-N 1 0 361.358 2.415 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000372368673 557452026 /nfs/dbraw/zinc/45/20/26/557452026.db2.gz VZLGAFKBPBKQDF-CRAIPNDOSA-N 1 0 360.458 2.001 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3nccc(C(F)(F)F)n3)CC2)n1 ZINC000372613665 557521129 /nfs/dbraw/zinc/52/11/29/557521129.db2.gz PCYWQWUTCNWFEB-UHFFFAOYSA-N 1 0 370.335 2.480 20 5 FEBDRO C[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519695616 562140319 /nfs/dbraw/zinc/14/03/19/562140319.db2.gz FDQGUPOQFXHZOP-HNNXBMFYSA-N 1 0 361.442 2.269 20 5 FEBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000372869893 557579330 /nfs/dbraw/zinc/57/93/30/557579330.db2.gz KUACXVXTPGWNSJ-XAYKYTGQSA-N 1 0 357.414 2.199 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000372925984 557589538 /nfs/dbraw/zinc/58/95/38/557589538.db2.gz CMRPXGYYGDHIFQ-FKGLVLAHSA-N 1 0 355.797 2.253 20 5 FEBDRO CN1C[C@H]([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000519759063 562142828 /nfs/dbraw/zinc/14/28/28/562142828.db2.gz MWPHEMJOJBBJRD-OAHLLOKOSA-N 1 0 358.398 2.345 20 5 FEBDRO C[C@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975381 557601386 /nfs/dbraw/zinc/60/13/86/557601386.db2.gz MNDJMADTSWCNLE-GDBMZVCRSA-N 1 0 350.415 2.226 20 5 FEBDRO O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000373039481 557614938 /nfs/dbraw/zinc/61/49/38/557614938.db2.gz GMAMMXHBRAYFGJ-UCLAIMLFSA-N 1 0 372.469 2.242 20 5 FEBDRO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373240997 557656824 /nfs/dbraw/zinc/65/68/24/557656824.db2.gz IZIJWUOEMNHRKJ-INIZCTEOSA-N 1 0 360.414 2.177 20 5 FEBDRO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298144 557667984 /nfs/dbraw/zinc/66/79/84/557667984.db2.gz FWZRYOQPRZLZOD-CQSZACIVSA-N 1 0 369.425 2.406 20 5 FEBDRO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568370 557719674 /nfs/dbraw/zinc/71/96/74/557719674.db2.gz QJSSATWRKODLDW-SJLPKXTDSA-N 1 0 374.441 2.485 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374182581 557839138 /nfs/dbraw/zinc/83/91/38/557839138.db2.gz JOMURLJUVINZIX-ZDUSSCGKSA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000374322202 557865550 /nfs/dbraw/zinc/86/55/50/557865550.db2.gz CERHSMVOMGXQIP-UHFFFAOYSA-N 1 0 369.425 2.481 20 5 FEBDRO C[C@]1(C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)NC(=O)NC1=O ZINC000374709157 557919578 /nfs/dbraw/zinc/91/95/78/557919578.db2.gz GIOYHPUIJPTZGA-MRXNPFEDSA-N 1 0 366.805 2.058 20 5 FEBDRO C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883175 557945635 /nfs/dbraw/zinc/94/56/35/557945635.db2.gz RLPBFJVDSGYPBP-QFBILLFUSA-N 1 0 373.457 2.013 20 5 FEBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C1CC[NH+](C)CC1 ZINC000374914867 557950614 /nfs/dbraw/zinc/95/06/14/557950614.db2.gz OAPBZGVSURBYAZ-CQSZACIVSA-N 1 0 350.438 2.334 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015805 557964365 /nfs/dbraw/zinc/96/43/65/557964365.db2.gz DRSFMHBTUPANFD-NHYWBVRUSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375038732 557968123 /nfs/dbraw/zinc/96/81/23/557968123.db2.gz LVOPSONJDKXPAF-ABAIWWIYSA-N 1 0 352.822 2.213 20 5 FEBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](n2cncn2)C1 ZINC000375326552 558009743 /nfs/dbraw/zinc/00/97/43/558009743.db2.gz DYYSWDDJQDCSMY-ZYHUDNBSSA-N 1 0 364.793 2.114 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000375617616 558057665 /nfs/dbraw/zinc/05/76/65/558057665.db2.gz JLJBDYZRXADZSV-WCQYABFASA-N 1 0 373.862 2.496 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000521692348 562182335 /nfs/dbraw/zinc/18/23/35/562182335.db2.gz UNAZNSOUVISKRV-INIZCTEOSA-N 1 0 367.471 2.406 20 5 FEBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000376692841 558209506 /nfs/dbraw/zinc/20/95/06/558209506.db2.gz BZIKSVHUNXNMOA-QGZVFWFLSA-N 1 0 351.472 2.423 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000376746651 558216361 /nfs/dbraw/zinc/21/63/61/558216361.db2.gz CYLYGQAGSXXMPV-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000376754357 558217327 /nfs/dbraw/zinc/21/73/27/558217327.db2.gz GWGPLCAPKFMKEE-OAHLLOKOSA-N 1 0 373.862 2.321 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](NCc1ccccc1)c1ccco1 ZINC000521988633 562188174 /nfs/dbraw/zinc/18/81/74/562188174.db2.gz MGCGUGNXWONDRK-AWEZNQCLSA-N 1 0 369.381 2.182 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535186 562199497 /nfs/dbraw/zinc/19/94/97/562199497.db2.gz VBLJIABGXCLCQW-CHWSQXEVSA-N 1 0 351.451 2.177 20 5 FEBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377763841 558415159 /nfs/dbraw/zinc/41/51/59/558415159.db2.gz QJCBRMGTTHHKLJ-CHWSQXEVSA-N 1 0 365.434 2.017 20 5 FEBDRO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000378100131 558480972 /nfs/dbraw/zinc/48/09/72/558480972.db2.gz KYMLDSWTOLKIMU-DVBCCOPCSA-N 1 0 372.469 2.235 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+]([C@@H]4CCSC4)CC3)cc2N1 ZINC000378107836 558483001 /nfs/dbraw/zinc/48/30/01/558483001.db2.gz GOSFFXUZWXPDHE-CYBMUJFWSA-N 1 0 362.455 2.107 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C3(CO)CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000523841167 562220709 /nfs/dbraw/zinc/22/07/09/562220709.db2.gz PYIPHNVZPHSQIG-UHFFFAOYSA-N 1 0 362.382 2.495 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000408059537 558641898 /nfs/dbraw/zinc/64/18/98/558641898.db2.gz QKJXXEQCYMNTKH-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408063828 558642651 /nfs/dbraw/zinc/64/26/51/558642651.db2.gz XCXVKLSFGRVBCR-ZIAGYGMSSA-N 1 0 373.862 2.462 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183023 558654858 /nfs/dbraw/zinc/65/48/58/558654858.db2.gz OUYAGVXAVZMZCE-PBHICJAKSA-N 1 0 358.442 2.043 20 5 FEBDRO COc1ccc(NC(=O)CC[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411620820 558930824 /nfs/dbraw/zinc/93/08/24/558930824.db2.gz ZBGXIGTVVPBCSY-RYUDHWBXSA-N 1 0 351.403 2.166 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000411627667 558931801 /nfs/dbraw/zinc/93/18/01/558931801.db2.gz YWPFNVWESTZDMR-MQMHXKEQSA-N 1 0 351.403 2.167 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411889548 558983613 /nfs/dbraw/zinc/98/36/13/558983613.db2.gz CNGWIZHBMZREDQ-GMBSWORKSA-N 1 0 358.394 2.237 20 5 FEBDRO NC(=O)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000411980443 558999091 /nfs/dbraw/zinc/99/90/91/558999091.db2.gz NMBFVHDJZIBGPQ-ZWKOTPCHSA-N 1 0 355.394 2.175 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412059231 559008269 /nfs/dbraw/zinc/00/82/69/559008269.db2.gz WTYDXBSLWGOIEG-HNNXBMFYSA-N 1 0 374.441 2.400 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)Nc2cc(C[NH+](C)C)ccn2)c1F ZINC000412155652 559017469 /nfs/dbraw/zinc/01/74/69/559017469.db2.gz DRYIFDGWUONWKE-UHFFFAOYSA-N 1 0 362.361 2.380 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1F ZINC000412169206 559018101 /nfs/dbraw/zinc/01/81/01/559018101.db2.gz IATVDDRDXQVMBS-MNOVXSKESA-N 1 0 351.378 2.026 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000412232169 559021574 /nfs/dbraw/zinc/02/15/74/559021574.db2.gz NLVVHPIUEWELSQ-VXGBXAGGSA-N 1 0 353.394 2.226 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000412232165 559021591 /nfs/dbraw/zinc/02/15/91/559021591.db2.gz NLVVHPIUEWELSQ-RYUDHWBXSA-N 1 0 353.394 2.226 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414941944 559196166 /nfs/dbraw/zinc/19/61/66/559196166.db2.gz DADYAWNECRWKKP-OAHLLOKOSA-N 1 0 356.329 2.414 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)F ZINC000414950359 559196599 /nfs/dbraw/zinc/19/65/99/559196599.db2.gz ONHHWLHAODDWHN-ZETCQYMHSA-N 1 0 354.260 2.300 20 5 FEBDRO C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414959654 559197435 /nfs/dbraw/zinc/19/74/35/559197435.db2.gz XMGRUVYQTBIFKW-ZDUSSCGKSA-N 1 0 370.409 2.439 20 5 FEBDRO O=[N+]([O-])c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(Cl)c1 ZINC000414994699 559199465 /nfs/dbraw/zinc/19/94/65/559199465.db2.gz VUKDXXUCSMVPPZ-ZDUSSCGKSA-N 1 0 366.771 2.174 20 5 FEBDRO COc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000415033081 559201746 /nfs/dbraw/zinc/20/17/46/559201746.db2.gz IJHCFRVUKFYRPX-IGOJGBNBSA-N 1 0 369.421 2.490 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415422695 559234084 /nfs/dbraw/zinc/23/40/84/559234084.db2.gz FAUZGIWCCZRMGI-INIZCTEOSA-N 1 0 362.430 2.120 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000415478414 559241638 /nfs/dbraw/zinc/24/16/38/559241638.db2.gz BEHFGRJQBQUTQN-GFCCVEGCSA-N 1 0 370.409 2.432 20 5 FEBDRO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606394 559254678 /nfs/dbraw/zinc/25/46/78/559254678.db2.gz YVQVCBSSCPBHSY-YPMHNXCESA-N 1 0 364.402 2.329 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415838042 559276966 /nfs/dbraw/zinc/27/69/66/559276966.db2.gz LDWPOLXTYZDMNH-INIZCTEOSA-N 1 0 370.409 2.220 20 5 FEBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000415970222 559286075 /nfs/dbraw/zinc/28/60/75/559286075.db2.gz ZAYJVASJXOHHAI-CQSZACIVSA-N 1 0 355.398 2.170 20 5 FEBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416405507 559310509 /nfs/dbraw/zinc/31/05/09/559310509.db2.gz BXTXNIUKNXTFBC-SECBINFHSA-N 1 0 369.365 2.232 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410096 559310947 /nfs/dbraw/zinc/31/09/47/559310947.db2.gz WKYAWFDGLOXUNI-ZIAGYGMSSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417394101 559360630 /nfs/dbraw/zinc/36/06/30/559360630.db2.gz VFDZZEWCMIOOBX-YPMHNXCESA-N 1 0 356.373 2.241 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000417994486 559385638 /nfs/dbraw/zinc/38/56/38/559385638.db2.gz REQSWQRGFLUBBD-LBPRGKRZSA-N 1 0 362.764 2.087 20 5 FEBDRO [NH3+]CC1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000418093501 559389845 /nfs/dbraw/zinc/38/98/45/559389845.db2.gz SRWHZGBWOZIQEX-UHFFFAOYSA-N 1 0 360.336 2.494 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418098183 559389964 /nfs/dbraw/zinc/38/99/64/559389964.db2.gz ZJJLHPYEINAYGF-TVQRCGJNSA-N 1 0 360.336 2.411 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CCC[NH2+]C1 ZINC000418096400 559390074 /nfs/dbraw/zinc/39/00/74/559390074.db2.gz XBBDLMOSJONSBG-JTQLQIEISA-N 1 0 360.336 2.412 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000418612771 559407902 /nfs/dbraw/zinc/40/79/02/559407902.db2.gz VYJXZPNWXFIZNR-KGLIPLIRSA-N 1 0 362.430 2.288 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418681952 559411123 /nfs/dbraw/zinc/41/11/23/559411123.db2.gz HLUVNTSKXIQGDP-DLBZAZTESA-N 1 0 354.410 2.492 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420377600 559483921 /nfs/dbraw/zinc/48/39/21/559483921.db2.gz PURPPACJXAOGHD-UGSOOPFHSA-N 1 0 362.430 2.006 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420457810 559488464 /nfs/dbraw/zinc/48/84/64/559488464.db2.gz IGCHOXVRVPGCKK-GDBMZVCRSA-N 1 0 367.471 2.310 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000420470575 559489288 /nfs/dbraw/zinc/48/92/88/559489288.db2.gz XCNIRPFVACSKDE-MRXNPFEDSA-N 1 0 363.439 2.444 20 5 FEBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(CN2CCOCC2)cc1 ZINC000420588938 559493194 /nfs/dbraw/zinc/49/31/94/559493194.db2.gz QVPQQNOIECQZPB-UHFFFAOYSA-N 1 0 370.409 2.138 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CCC([NH+](C)C)CC1 ZINC000420750619 559502241 /nfs/dbraw/zinc/50/22/41/559502241.db2.gz UTCLVIJVFXHDIY-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420998874 559518384 /nfs/dbraw/zinc/51/83/84/559518384.db2.gz ULCCZRPZWPSCAK-AWEZNQCLSA-N 1 0 363.414 2.311 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011794 559519287 /nfs/dbraw/zinc/51/92/87/559519287.db2.gz HMKJGZIIIRTVTD-KBPBESRZSA-N 1 0 365.430 2.415 20 5 FEBDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019010 559520044 /nfs/dbraw/zinc/52/00/44/559520044.db2.gz NAJIDJHPUPUWIS-KBPBESRZSA-N 1 0 365.430 2.056 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421288100 559535988 /nfs/dbraw/zinc/53/59/88/559535988.db2.gz KTJSZXNHUOMPDS-UHFFFAOYSA-N 1 0 362.430 2.085 20 5 FEBDRO COc1ccc(-c2ccc(C[N@H+](C[C@@H](O)CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000421414649 559541843 /nfs/dbraw/zinc/54/18/43/559541843.db2.gz ZVRVSALMOJMWSW-CYBMUJFWSA-N 1 0 364.398 2.427 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000422013580 559560790 /nfs/dbraw/zinc/56/07/90/559560790.db2.gz XLPJYKNGEDJGBB-UHFFFAOYSA-N 1 0 366.487 2.289 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1C ZINC000422552835 559594604 /nfs/dbraw/zinc/59/46/04/559594604.db2.gz IIODRIZUVXRKHR-SCRDCRAPSA-N 1 0 355.460 2.206 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422556090 559594831 /nfs/dbraw/zinc/59/48/31/559594831.db2.gz RWLNKUVRKSJLEZ-OBJOEFQTSA-N 1 0 355.460 2.151 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)C1CC1 ZINC000422858644 559608712 /nfs/dbraw/zinc/60/87/12/559608712.db2.gz IMTWYKMLTFXFDG-OAHLLOKOSA-N 1 0 357.360 2.427 20 5 FEBDRO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000424004172 559650291 /nfs/dbraw/zinc/65/02/91/559650291.db2.gz RZWJMZFCRHISIW-GOSISDBHSA-N 1 0 354.410 2.204 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424007091 559650517 /nfs/dbraw/zinc/65/05/17/559650517.db2.gz URTRBZUGWASIRM-LPHOPBHVSA-N 1 0 361.442 2.191 20 5 FEBDRO CN(CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000424035484 559652083 /nfs/dbraw/zinc/65/20/83/559652083.db2.gz CSCINJCFKVJRJT-GOSISDBHSA-N 1 0 360.458 2.268 20 5 FEBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000424043438 559652382 /nfs/dbraw/zinc/65/23/82/559652382.db2.gz QPAKEYISRMYOQI-INIZCTEOSA-N 1 0 357.414 2.321 20 5 FEBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000424043441 559652399 /nfs/dbraw/zinc/65/23/99/559652399.db2.gz QPAKEYISRMYOQI-MRXNPFEDSA-N 1 0 357.414 2.321 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C[NH3+] ZINC000424070762 559653799 /nfs/dbraw/zinc/65/37/99/559653799.db2.gz JWCDXZFCPYZKND-MCIONIFRSA-N 1 0 357.414 2.226 20 5 FEBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000424309601 559661289 /nfs/dbraw/zinc/66/12/89/559661289.db2.gz AVDBQUDKYQFHSH-VXGBXAGGSA-N 1 0 351.428 2.203 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000425479550 559704573 /nfs/dbraw/zinc/70/45/73/559704573.db2.gz PXIYJSWYJQFLCU-DGCLKSJQSA-N 1 0 359.220 2.234 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)n1 ZINC000427399251 559754736 /nfs/dbraw/zinc/75/47/36/559754736.db2.gz NXBHKALTOFMZED-UONOGXRCSA-N 1 0 351.451 2.442 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428253009 559772356 /nfs/dbraw/zinc/77/23/56/559772356.db2.gz NTIFBFXSSMNQTN-AWEZNQCLSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428555043 559778195 /nfs/dbraw/zinc/77/81/95/559778195.db2.gz WJAQREWAVVJUHH-INIZCTEOSA-N 1 0 371.393 2.422 20 5 FEBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026753 559789009 /nfs/dbraw/zinc/78/90/09/559789009.db2.gz AATDBSVGTXXMFX-OHQAAIJDSA-N 1 0 372.469 2.362 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429395021 559797764 /nfs/dbraw/zinc/79/77/64/559797764.db2.gz ATOFHLFWUJKTQU-RDJZCZTQSA-N 1 0 363.414 2.077 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429396834 559797834 /nfs/dbraw/zinc/79/78/34/559797834.db2.gz CYOJURPAURBHGA-RDJZCZTQSA-N 1 0 363.414 2.443 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000430591778 559823959 /nfs/dbraw/zinc/82/39/59/559823959.db2.gz FWWGXYBOEKUJCJ-OCCSQVGLSA-N 1 0 352.435 2.236 20 5 FEBDRO C[NH2+]CC(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430696286 559826525 /nfs/dbraw/zinc/82/65/25/559826525.db2.gz PYFNEIUXWGWCIF-UHFFFAOYSA-N 1 0 374.466 2.187 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000430834145 559828955 /nfs/dbraw/zinc/82/89/55/559828955.db2.gz WEDBMJFQCQTBPZ-GOEBONIOSA-N 1 0 351.451 2.198 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431026233 559832529 /nfs/dbraw/zinc/83/25/29/559832529.db2.gz RIMOXTKIYTYMSC-CYBMUJFWSA-N 1 0 362.430 2.006 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433061221 559870854 /nfs/dbraw/zinc/87/08/54/559870854.db2.gz OKDGDFCVYXHTFP-KBXCAEBGSA-N 1 0 357.410 2.457 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435382338 559921760 /nfs/dbraw/zinc/92/17/60/559921760.db2.gz YXYDQYFXMMGILA-CYZMBNFOSA-N 1 0 371.384 2.416 20 5 FEBDRO COc1cc(CN2CCC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435384412 559922015 /nfs/dbraw/zinc/92/20/15/559922015.db2.gz MRMGYOGWOHLAMX-UHFFFAOYSA-N 1 0 363.336 2.340 20 5 FEBDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440501398 560012753 /nfs/dbraw/zinc/01/27/53/560012753.db2.gz DRIFAMPCXQCBHU-FQEVSTJZSA-N 1 0 369.421 2.270 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000440823427 560019066 /nfs/dbraw/zinc/01/90/66/560019066.db2.gz VLRASYBKMKEEAJ-FXAWDEMLSA-N 1 0 372.421 2.148 20 5 FEBDRO O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201016 560026079 /nfs/dbraw/zinc/02/60/79/560026079.db2.gz DCJXMMFMINYOHJ-IIDMSEBBSA-N 1 0 359.426 2.449 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204905 560026236 /nfs/dbraw/zinc/02/62/36/560026236.db2.gz UMVXPCMTPPGLKV-JKSUJKDBSA-N 1 0 359.426 2.232 20 5 FEBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442557814 560052789 /nfs/dbraw/zinc/05/27/89/560052789.db2.gz QZUYWBFUAQWSIU-UHFFFAOYSA-N 1 0 362.430 2.256 20 5 FEBDRO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443626416 560088800 /nfs/dbraw/zinc/08/88/00/560088800.db2.gz PZIZAUGKKPMHPP-TZMCWYRMSA-N 1 0 350.419 2.085 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785874 560092814 /nfs/dbraw/zinc/09/28/14/560092814.db2.gz YHSFWSJBGQOOMR-ZIAGYGMSSA-N 1 0 355.460 2.277 20 5 FEBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443787579 560092864 /nfs/dbraw/zinc/09/28/64/560092864.db2.gz JJGSHGGSMRGTFB-INIZCTEOSA-N 1 0 367.471 2.088 20 5 FEBDRO CC(C)(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)n1cc([N+](=O)[O-])cn1 ZINC000447441310 560162452 /nfs/dbraw/zinc/16/24/52/560162452.db2.gz MWLXCBWTTPYFFP-QGZVFWFLSA-N 1 0 367.409 2.496 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOC[C@H]2CCCO2)n1 ZINC000447515162 560163660 /nfs/dbraw/zinc/16/36/60/560163660.db2.gz BCKMCFIALQGYEY-OWCLPIDISA-N 1 0 352.435 2.450 20 5 FEBDRO Cc1cc([C@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000447578513 560164855 /nfs/dbraw/zinc/16/48/55/560164855.db2.gz FXUVGOOYCVUFEP-LBPRGKRZSA-N 1 0 367.427 2.434 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)n1 ZINC000447732448 560168081 /nfs/dbraw/zinc/16/80/81/560168081.db2.gz WGBSLGSIIVZZNW-ZDUSSCGKSA-N 1 0 359.386 2.449 20 5 FEBDRO C[NH+](C)CC(C)(C)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447805142 560169548 /nfs/dbraw/zinc/16/95/48/560169548.db2.gz HTJDNXAXXYLODP-UHFFFAOYSA-N 1 0 350.463 2.427 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000448936946 560207839 /nfs/dbraw/zinc/20/78/39/560207839.db2.gz OJRFVZWSCYIQRX-INIZCTEOSA-N 1 0 369.425 2.481 20 5 FEBDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449089047 560215276 /nfs/dbraw/zinc/21/52/76/560215276.db2.gz CSDZXNVNTRPAJT-ZDUSSCGKSA-N 1 0 363.439 2.224 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449752351 560238905 /nfs/dbraw/zinc/23/89/05/560238905.db2.gz CBVBQHCHZYWLGN-UKRRQHHQSA-N 1 0 352.387 2.194 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450331479 560258951 /nfs/dbraw/zinc/25/89/51/560258951.db2.gz VWEAMEVNMDNWBR-UHFFFAOYSA-N 1 0 371.441 2.498 20 5 FEBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000450487598 560263759 /nfs/dbraw/zinc/26/37/59/560263759.db2.gz NIQZQRAXIOAGAH-CQSZACIVSA-N 1 0 374.441 2.486 20 5 FEBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450617504 560268139 /nfs/dbraw/zinc/26/81/39/560268139.db2.gz RDBTZDZSCOYJDN-KRWDZBQOSA-N 1 0 371.441 2.041 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309428 560299403 /nfs/dbraw/zinc/29/94/03/560299403.db2.gz WPCXAZDWJAFOID-ZMSDIMECSA-N 1 0 350.415 2.355 20 5 FEBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451475613 560309179 /nfs/dbraw/zinc/30/91/79/560309179.db2.gz CLWSAJFIXHVAFF-IRXDYDNUSA-N 1 0 359.426 2.421 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451475783 560309199 /nfs/dbraw/zinc/30/91/99/560309199.db2.gz DELBVUMHRZAPGS-IXKJSCDLSA-N 1 0 350.415 2.128 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451499584 560310727 /nfs/dbraw/zinc/31/07/27/560310727.db2.gz MCCVPBUGMLYZTC-UHNFBRDESA-N 1 0 351.403 2.191 20 5 FEBDRO O=c1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c2ccnn21 ZINC000451543463 560313633 /nfs/dbraw/zinc/31/36/33/560313633.db2.gz BVXOFUBLZMSWLE-CQSZACIVSA-N 1 0 353.382 2.310 20 5 FEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451595672 560316588 /nfs/dbraw/zinc/31/65/88/560316588.db2.gz DTFWAURAGDXPRS-KFWWJZLASA-N 1 0 366.414 2.046 20 5 FEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000451602573 560316866 /nfs/dbraw/zinc/31/68/66/560316866.db2.gz XFIITTHIRJSLHB-CVEARBPZSA-N 1 0 363.414 2.269 20 5 FEBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000451602835 560316883 /nfs/dbraw/zinc/31/68/83/560316883.db2.gz WDAWCUGILKQBSM-LPHOPBHVSA-N 1 0 363.458 2.363 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452355161 560359857 /nfs/dbraw/zinc/35/98/57/560359857.db2.gz XBDCYQMGNAWPCO-UKRRQHHQSA-N 1 0 367.471 2.038 20 5 FEBDRO CNc1nc(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000454623859 560451676 /nfs/dbraw/zinc/45/16/76/560451676.db2.gz SAODDGNZTZODTL-CYBMUJFWSA-N 1 0 369.425 2.208 20 5 FEBDRO CCOc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000456316129 560515086 /nfs/dbraw/zinc/51/50/86/560515086.db2.gz FKIQXEXUXPTVOQ-YHWZYXNKSA-N 1 0 363.414 2.357 20 5 FEBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457058091 560546282 /nfs/dbraw/zinc/54/62/82/560546282.db2.gz VPMSCIGLBILATJ-UHFFFAOYSA-N 1 0 358.398 2.453 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[NH+](C2CCCCC2)C1 ZINC000457753472 560585831 /nfs/dbraw/zinc/58/58/31/560585831.db2.gz FGQXDSJPBDEASP-UHFFFAOYSA-N 1 0 357.414 2.352 20 5 FEBDRO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000458887517 560654291 /nfs/dbraw/zinc/65/42/91/560654291.db2.gz JHEZPGVTODFWDI-GOEBONIOSA-N 1 0 364.446 2.408 20 5 FEBDRO CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459591722 560696245 /nfs/dbraw/zinc/69/62/45/560696245.db2.gz LEPPAXXNHKLPSM-QGZVFWFLSA-N 1 0 362.430 2.226 20 5 FEBDRO O=C1[C@H]([N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656448 560700518 /nfs/dbraw/zinc/70/05/18/560700518.db2.gz DXGJWKZQNVZBEO-BRWVUGGUSA-N 1 0 357.410 2.201 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744232 560705612 /nfs/dbraw/zinc/70/56/12/560705612.db2.gz DQMGJICKDVOLEC-KNXALSJPSA-N 1 0 363.414 2.478 20 5 FEBDRO NC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC3CC(C2)CC1C3 ZINC000459780785 560707923 /nfs/dbraw/zinc/70/79/23/560707923.db2.gz NGSZYIDHHHEYTB-UHFFFAOYSA-N 1 0 359.426 2.243 20 5 FEBDRO CCOc1cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020995 560901640 /nfs/dbraw/zinc/90/16/40/560901640.db2.gz DAIHEBCVCZFTDS-FZMZJTMJSA-N 1 0 363.414 2.215 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000467134509 560904514 /nfs/dbraw/zinc/90/45/14/560904514.db2.gz XJZSQEOYGGYPIS-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000467149197 560904965 /nfs/dbraw/zinc/90/49/65/560904965.db2.gz RYBTZRVBVIJBBR-AWEZNQCLSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724297 560915993 /nfs/dbraw/zinc/91/59/93/560915993.db2.gz RWHCHRDSYYAAOE-RHSMWYFYSA-N 1 0 372.469 2.410 20 5 FEBDRO CC1CC[NH+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000468435924 560930014 /nfs/dbraw/zinc/93/00/14/560930014.db2.gz OLYWLAMRVMMMKP-UHFFFAOYSA-N 1 0 362.430 2.099 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000468617176 560934132 /nfs/dbraw/zinc/93/41/32/560934132.db2.gz FQRMYKWEUQVEBO-GXDHUFHOSA-N 1 0 367.471 2.259 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000470151734 560975612 /nfs/dbraw/zinc/97/56/12/560975612.db2.gz JUGIKMHTZRTNNN-GFCCVEGCSA-N 1 0 354.382 2.356 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000470173732 560976045 /nfs/dbraw/zinc/97/60/45/560976045.db2.gz NFEFGKZBVVJADP-XAVZPLJISA-N 1 0 372.469 2.237 20 5 FEBDRO CC(C)(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000471296255 561002084 /nfs/dbraw/zinc/00/20/84/561002084.db2.gz FYNPFEQOCVOPPD-MRXNPFEDSA-N 1 0 371.441 2.165 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000471563487 561007346 /nfs/dbraw/zinc/00/73/46/561007346.db2.gz PCSNDMODQSMGTM-CQSZACIVSA-N 1 0 353.394 2.307 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802010 561012069 /nfs/dbraw/zinc/01/20/69/561012069.db2.gz YWIUUFWTKZTAIU-CVEARBPZSA-N 1 0 371.441 2.439 20 5 FEBDRO COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000472237468 561021580 /nfs/dbraw/zinc/02/15/80/561021580.db2.gz DHEVUEKCSLHQTF-HOCLYGCPSA-N 1 0 350.419 2.235 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC000472627456 561031354 /nfs/dbraw/zinc/03/13/54/561031354.db2.gz FZCUBDRLPPGVEP-RDJZCZTQSA-N 1 0 351.403 2.073 20 5 FEBDRO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000473908966 561060410 /nfs/dbraw/zinc/06/04/10/561060410.db2.gz HPFKHBNWGFIZPI-MRXNPFEDSA-N 1 0 355.460 2.384 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722719 561103254 /nfs/dbraw/zinc/10/32/54/561103254.db2.gz STDDJWULRFRNRM-HUUCEWRRSA-N 1 0 364.398 2.005 20 5 FEBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000530618036 562417978 /nfs/dbraw/zinc/41/79/78/562417978.db2.gz XAJFESDESOXKMK-UHFFFAOYSA-N 1 0 368.459 2.065 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000531768411 562456088 /nfs/dbraw/zinc/45/60/88/562456088.db2.gz WLIJTZAIUQOJGV-KGLIPLIRSA-N 1 0 361.398 2.346 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000532734683 562486974 /nfs/dbraw/zinc/48/69/74/562486974.db2.gz JTPPPRFJFJWKHO-AWEZNQCLSA-N 1 0 372.425 2.465 20 5 FEBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315574 562555810 /nfs/dbraw/zinc/55/58/10/562555810.db2.gz YGVUHRHGQJVTEY-CYBMUJFWSA-N 1 0 354.370 2.368 20 5 FEBDRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537092413 562585350 /nfs/dbraw/zinc/58/53/50/562585350.db2.gz WNWDLOWLQFGWQO-AWEZNQCLSA-N 1 0 364.446 2.408 20 5 FEBDRO CC(=O)NC1CCC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541314889 562608772 /nfs/dbraw/zinc/60/87/72/562608772.db2.gz PQQVGPAZUDJCSJ-UHFFFAOYSA-N 1 0 362.430 2.221 20 5 FEBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[NH+]1CCCCC1 ZINC000541523967 562614306 /nfs/dbraw/zinc/61/43/06/562614306.db2.gz LBGCYODVCYYHRG-CYBMUJFWSA-N 1 0 363.414 2.360 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000541907840 562622927 /nfs/dbraw/zinc/62/29/27/562622927.db2.gz NZUWENWMOYMVTL-CQSZACIVSA-N 1 0 363.805 2.490 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000545457385 562627561 /nfs/dbraw/zinc/62/75/61/562627561.db2.gz DEMGJGZVSXTEIR-UHOFOFEASA-N 1 0 351.403 2.096 20 5 FEBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000568558058 568051494 /nfs/dbraw/zinc/05/14/94/568051494.db2.gz MXMOTJQMGBUOOG-QEJZJMRPSA-N 1 0 358.398 2.473 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000569112079 568278037 /nfs/dbraw/zinc/27/80/37/568278037.db2.gz MQWRSQPKLDJGKO-NOLJZWGESA-N 1 0 350.806 2.341 20 5 FEBDRO Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000569227199 568315865 /nfs/dbraw/zinc/31/58/65/568315865.db2.gz YQUVAZDSKAOULG-SFHVURJKSA-N 1 0 354.410 2.488 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569774662 568423644 /nfs/dbraw/zinc/42/36/44/568423644.db2.gz UIOUKXMBCSCLDQ-UHFFFAOYSA-N 1 0 364.471 2.423 20 5 FEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000570928519 568710945 /nfs/dbraw/zinc/71/09/45/568710945.db2.gz LOSPLLNKXAEOOU-MRXNPFEDSA-N 1 0 360.458 2.412 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000556924208 674428278 /nfs/dbraw/zinc/42/82/78/674428278.db2.gz IGUKKIWPVIXSLG-KBPBESRZSA-N 1 0 355.460 2.368 20 5 FEBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736452162 598498982 /nfs/dbraw/zinc/49/89/82/598498982.db2.gz AMRQNNWXOYMCNJ-UHFFFAOYSA-N 1 0 374.449 2.118 20 5 FEBDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1-c1nn[nH]n1 ZINC000826203125 607568741 /nfs/dbraw/zinc/56/87/41/607568741.db2.gz ZNMWBPSEUWHLRK-UHFFFAOYSA-N 1 0 354.370 2.382 20 5 FEBDRO [NH3+]CCN(Cc1cnc(C2OCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809736060 674507732 /nfs/dbraw/zinc/50/77/32/674507732.db2.gz CZARASQZNUBPTQ-UHFFFAOYSA-N 1 0 350.400 2.062 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000558788737 674516154 /nfs/dbraw/zinc/51/61/54/674516154.db2.gz BBTUPKVKZKLQGK-AWEZNQCLSA-N 1 0 363.439 2.442 20 5 FEBDRO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000820280718 606709215 /nfs/dbraw/zinc/70/92/15/606709215.db2.gz NEZGTFDFOGMVAA-LBPRGKRZSA-N 1 0 368.401 2.102 20 5 FEBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000823629892 607037919 /nfs/dbraw/zinc/03/79/19/607037919.db2.gz KYALZNVTRLFNLN-UHFFFAOYSA-N 1 0 357.418 2.230 20 5 FEBDRO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000821581354 607162353 /nfs/dbraw/zinc/16/23/53/607162353.db2.gz JGFYVAQIIQNNEX-CYBMUJFWSA-N 1 0 372.364 2.024 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000561627475 674684902 /nfs/dbraw/zinc/68/49/02/674684902.db2.gz RDQRTBXCOMWFNW-CYBMUJFWSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000561750025 674695568 /nfs/dbraw/zinc/69/55/68/674695568.db2.gz NEFMEYHKOALFHT-GJZGRUSLSA-N 1 0 369.487 2.221 20 5 FEBDRO COc1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000562975819 674829456 /nfs/dbraw/zinc/82/94/56/674829456.db2.gz YLRNCAHPOLKJFS-OAHLLOKOSA-N 1 0 359.329 2.062 20 5 FEBDRO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000563127974 674848319 /nfs/dbraw/zinc/84/83/19/674848319.db2.gz YLGRELJIGFTDDE-YUMQZZPRSA-N 1 0 355.338 2.018 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCC[NH3+])CC1CCCC1 ZINC000563129317 674848838 /nfs/dbraw/zinc/84/88/38/674848838.db2.gz NETGDFHCUSGCLE-UHFFFAOYSA-N 1 0 371.459 2.133 20 5 FEBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000815018453 674897884 /nfs/dbraw/zinc/89/78/84/674897884.db2.gz QBSFRIFGFXYWGN-RKDXNWHRSA-N 1 0 365.814 2.148 20 5 FEBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000563535350 674904409 /nfs/dbraw/zinc/90/44/09/674904409.db2.gz SKOUJTCBKINBRB-UHFFFAOYSA-N 1 0 369.365 2.409 20 5 FEBDRO COC(=O)c1cc(NC(=O)N(C)CCC[NH+](C)C)c(C)c([N+](=O)[O-])c1 ZINC000563583442 674912011 /nfs/dbraw/zinc/91/20/11/674912011.db2.gz VHALNZNRHYQXHN-UHFFFAOYSA-N 1 0 352.391 2.105 20 5 FEBDRO Cc1ccc(Br)cc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564870721 675070545 /nfs/dbraw/zinc/07/05/45/675070545.db2.gz BNOZBPOITUSUAQ-CQSZACIVSA-N 1 0 369.219 2.013 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000072753542 670497789 /nfs/dbraw/zinc/49/77/89/670497789.db2.gz TVUHMMHJWPCRFA-UHFFFAOYSA-N 1 0 350.375 2.417 20 5 FEBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000571626943 670902725 /nfs/dbraw/zinc/90/27/25/670902725.db2.gz MUQQGIRZHDUTJQ-XGUBFFRZSA-N 1 0 370.475 2.220 20 5 FEBDRO O=C(CC[NH2+]CCNC(=O)c1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000565828571 675154323 /nfs/dbraw/zinc/15/43/23/675154323.db2.gz WUJFMLIPUXAFNP-UHFFFAOYSA-N 1 0 362.411 2.005 20 5 FEBDRO COc1cc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000573000711 671069853 /nfs/dbraw/zinc/06/98/53/671069853.db2.gz OZUUGJDLNKWEJF-CMPLNLGQSA-N 1 0 357.357 2.246 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000573682025 671151252 /nfs/dbraw/zinc/15/12/52/671151252.db2.gz KMAHRRUWNPEXSU-ZBFHGGJFSA-N 1 0 365.455 2.285 20 5 FEBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000574936987 671287483 /nfs/dbraw/zinc/28/74/83/671287483.db2.gz PVHIWORZKCGGGF-INIZCTEOSA-N 1 0 351.447 2.189 20 5 FEBDRO C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000574941514 671287691 /nfs/dbraw/zinc/28/76/91/671287691.db2.gz BNRYDMWKMDHLOD-HNNXBMFYSA-N 1 0 350.463 2.040 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000575043335 671294794 /nfs/dbraw/zinc/29/47/94/671294794.db2.gz VKWPSNKRZHFUSX-QGZVFWFLSA-N 1 0 365.455 2.440 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269184 675916275 /nfs/dbraw/zinc/91/62/75/675916275.db2.gz MRAHZVQRRPHLGE-KGLIPLIRSA-N 1 0 367.471 2.302 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609353498 675920256 /nfs/dbraw/zinc/92/02/56/675920256.db2.gz SHEXTMMLHBQHQB-CQSZACIVSA-N 1 0 353.444 2.152 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000578009290 671634215 /nfs/dbraw/zinc/63/42/15/671634215.db2.gz NWDMYPIZXWJZKB-GJZGRUSLSA-N 1 0 353.444 2.062 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000579705831 671754825 /nfs/dbraw/zinc/75/48/25/671754825.db2.gz QMNZOWJJQPUJQF-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO CS[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000580209942 671790510 /nfs/dbraw/zinc/79/05/10/671790510.db2.gz SEAKJKSHVPUGET-HOTGVXAUSA-N 1 0 366.487 2.209 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119591156 671903096 /nfs/dbraw/zinc/90/30/96/671903096.db2.gz XPRUTKQNVHXVBA-VXGBXAGGSA-N 1 0 361.489 2.303 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cs1 ZINC000120023210 671914531 /nfs/dbraw/zinc/91/45/31/671914531.db2.gz IMCINYHXVWNGJB-UHFFFAOYSA-N 1 0 359.473 2.295 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000610135258 675956167 /nfs/dbraw/zinc/95/61/67/675956167.db2.gz NXGHOGJUBHNIIG-QWHCGFSZSA-N 1 0 371.459 2.097 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000121745289 671956337 /nfs/dbraw/zinc/95/63/37/671956337.db2.gz SZDUESJOUUTTLR-GFCCVEGCSA-N 1 0 355.822 2.317 20 5 FEBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261446 675961728 /nfs/dbraw/zinc/96/17/28/675961728.db2.gz GEVUZSWAHRXVBB-MCIONIFRSA-N 1 0 368.459 2.016 20 5 FEBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863079 672486720 /nfs/dbraw/zinc/48/67/20/672486720.db2.gz OWAJLWLANPWZAZ-UONOGXRCSA-N 1 0 361.423 2.091 20 5 FEBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204937 676024532 /nfs/dbraw/zinc/02/45/32/676024532.db2.gz BUCLDBPVDICVHY-QWHCGFSZSA-N 1 0 351.403 2.289 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000590749415 672609682 /nfs/dbraw/zinc/60/96/82/672609682.db2.gz FJPQDYVNKMVTPE-QGPMSJSTSA-N 1 0 350.415 2.226 20 5 FEBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591439699 672680916 /nfs/dbraw/zinc/68/09/16/672680916.db2.gz XXEFYBRHJMFCMO-ONGXEEELSA-N 1 0 373.194 2.388 20 5 FEBDRO CN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1(C[NH3+])CCC1 ZINC000591684983 672701614 /nfs/dbraw/zinc/70/16/14/672701614.db2.gz XJYMIGGXOQBWTH-UHFFFAOYSA-N 1 0 361.320 2.489 20 5 FEBDRO CC[C@@H]1CCCCN1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740879 672707112 /nfs/dbraw/zinc/70/71/12/672707112.db2.gz BRLKKXPBRYROOK-NVXWUHKLSA-N 1 0 351.447 2.189 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189370 672769591 /nfs/dbraw/zinc/76/95/91/672769591.db2.gz SWYHWLRHSINTRA-ZBFHGGJFSA-N 1 0 350.415 2.368 20 5 FEBDRO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592242913 672776124 /nfs/dbraw/zinc/77/61/24/672776124.db2.gz AOMMCTDIABUYLC-BXKDBHETSA-N 1 0 354.204 2.181 20 5 FEBDRO CN(CCN1CC[NH2+]CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000592428493 672801020 /nfs/dbraw/zinc/80/10/20/672801020.db2.gz SCWHXKBYMKQDQJ-UHFFFAOYSA-N 1 0 361.471 2.055 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000592544325 672813388 /nfs/dbraw/zinc/81/33/88/672813388.db2.gz BUDOYCXBEJBJSW-YPMHNXCESA-N 1 0 351.403 2.202 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H](C)C(=O)OC)C2CC2)c1 ZINC000593008182 672863326 /nfs/dbraw/zinc/86/33/26/672863326.db2.gz QIHSVNONUJAKSE-NSHDSACASA-N 1 0 350.371 2.155 20 5 FEBDRO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187986 672888355 /nfs/dbraw/zinc/88/83/55/672888355.db2.gz SMBCXZWSPBVEAX-GRYCIOLGSA-N 1 0 351.403 2.165 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261608605 672899980 /nfs/dbraw/zinc/89/99/80/672899980.db2.gz ASCPITFRPYVZSZ-KOLCDFICSA-N 1 0 361.851 2.162 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCCC1CC[NH2+]CC1 ZINC000593709136 672981583 /nfs/dbraw/zinc/98/15/83/672981583.db2.gz WCZZDPOLXPQEPG-UHFFFAOYSA-N 1 0 354.838 2.480 20 5 FEBDRO COC1CC[NH+](CCNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000612483984 676084114 /nfs/dbraw/zinc/08/41/14/676084114.db2.gz PHPNODSQBHXWIK-LBPRGKRZSA-N 1 0 353.394 2.064 20 5 FEBDRO [NH3+]CC1(CCNC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000593914670 673007807 /nfs/dbraw/zinc/00/78/07/673007807.db2.gz MVBMVBJQUVVJTA-UHFFFAOYSA-N 1 0 361.320 2.395 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCC1CC[NH2+]CC1 ZINC000593920124 673008423 /nfs/dbraw/zinc/00/84/23/673008423.db2.gz XZFCBODSBWSEKI-UHFFFAOYSA-N 1 0 370.247 2.406 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(c2)COC3)cc1 ZINC000612592318 676089803 /nfs/dbraw/zinc/08/98/03/676089803.db2.gz YVLSCXHTBSRCFY-UHFFFAOYSA-N 1 0 362.407 2.189 20 5 FEBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594043870 673024833 /nfs/dbraw/zinc/02/48/33/673024833.db2.gz PBBFPQPGPVEEQK-UKRRQHHQSA-N 1 0 351.403 2.479 20 5 FEBDRO COCC1(C2CCC2)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000594716327 673121744 /nfs/dbraw/zinc/12/17/44/673121744.db2.gz PBEVMUMANXMVCA-OAHLLOKOSA-N 1 0 350.415 2.083 20 5 FEBDRO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793081 673144936 /nfs/dbraw/zinc/14/49/36/673144936.db2.gz UOGGYYSFXOXNKQ-LLVKDONJSA-N 1 0 361.489 2.363 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594799807 673147263 /nfs/dbraw/zinc/14/72/63/673147263.db2.gz RXCIJFVYWRHWKZ-CYBMUJFWSA-N 1 0 355.460 2.363 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595116341 673196237 /nfs/dbraw/zinc/19/62/37/673196237.db2.gz PYNLKWRNEXXWIO-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](CC)C1 ZINC000595131799 673198650 /nfs/dbraw/zinc/19/86/50/673198650.db2.gz OYMDBVQUPQNIOM-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000595258679 673214773 /nfs/dbraw/zinc/21/47/73/673214773.db2.gz QPVVGIYGBNNZNB-IUODEOHRSA-N 1 0 351.451 2.164 20 5 FEBDRO [NH3+]CC12CC(C1)CN2C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595273500 673215944 /nfs/dbraw/zinc/21/59/44/673215944.db2.gz GTKKOVSHFFECTG-UHFFFAOYSA-N 1 0 358.320 2.246 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000595411718 673246147 /nfs/dbraw/zinc/24/61/47/673246147.db2.gz SBHFDEMESWHXGE-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000595482527 673256743 /nfs/dbraw/zinc/25/67/43/673256743.db2.gz PIDBQYOHYDXNEP-KBPBESRZSA-N 1 0 363.336 2.461 20 5 FEBDRO COc1cc(C[NH2+][C@H](CO)[C@@H]2CCC[C@H](OC)C2)c([N+](=O)[O-])cc1F ZINC000595636418 673277075 /nfs/dbraw/zinc/27/70/75/673277075.db2.gz YWLQQASJROLMEJ-OSAQELSMSA-N 1 0 356.394 2.398 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786489 673290832 /nfs/dbraw/zinc/29/08/32/673290832.db2.gz QKDLRIPDNWFOQA-VXGBXAGGSA-N 1 0 350.375 2.496 20 5 FEBDRO C[C@@]1(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]C1 ZINC000595991422 673345955 /nfs/dbraw/zinc/34/59/55/673345955.db2.gz IYFSTIAQHXERRO-CQSZACIVSA-N 1 0 360.336 2.284 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCOCCF)c1 ZINC000596057011 673354468 /nfs/dbraw/zinc/35/44/68/673354468.db2.gz FNSSYIPGHIAFIP-UHFFFAOYSA-N 1 0 368.146 2.275 20 5 FEBDRO CCC(CC)[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596069639 673355905 /nfs/dbraw/zinc/35/59/05/673355905.db2.gz HIQFRZBCBUEIAU-CQSZACIVSA-N 1 0 358.464 2.021 20 5 FEBDRO CC[NH+]1CCN(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000596078991 673356702 /nfs/dbraw/zinc/35/67/02/673356702.db2.gz YSSVMVUNDNPDDA-UHFFFAOYSA-N 1 0 361.471 2.768 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2csc(NCCC[NH+]3CCC(O)CC3)n2)cc1 ZINC000596085041 673356953 /nfs/dbraw/zinc/35/69/53/673356953.db2.gz GQZZMZMEKZUZBB-UHFFFAOYSA-N 1 0 362.455 2.977 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596259340 673372458 /nfs/dbraw/zinc/37/24/58/673372458.db2.gz QVGKGNZIBOVYTH-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000596361871 673379464 /nfs/dbraw/zinc/37/94/64/673379464.db2.gz KSDAJRCMDMANOB-NSHDSACASA-N 1 0 374.283 2.436 20 5 FEBDRO COC(=O)/C=C/c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000732804718 673383695 /nfs/dbraw/zinc/38/36/95/673383695.db2.gz CSQKCJWWPZHIAN-HWKANZROSA-N 1 0 351.428 2.242 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597096909 673447311 /nfs/dbraw/zinc/44/73/11/673447311.db2.gz LFBRDPBTQUGUQB-NSHDSACASA-N 1 0 373.841 2.045 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597105821 673448722 /nfs/dbraw/zinc/44/87/22/673448722.db2.gz YBEJVICCPDABIL-NSHDSACASA-N 1 0 373.841 2.309 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000597535257 673485125 /nfs/dbraw/zinc/48/51/25/673485125.db2.gz UTFLXGAIQGFACV-ZIAGYGMSSA-N 1 0 367.471 2.436 20 5 FEBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000597678574 673498483 /nfs/dbraw/zinc/49/84/83/673498483.db2.gz LQTNKQRZRVGJQR-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1 ZINC000541783845 673556353 /nfs/dbraw/zinc/55/63/53/673556353.db2.gz QCJIWDFNATZJGN-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343371 673561551 /nfs/dbraw/zinc/56/15/51/673561551.db2.gz WHVXTYWIZZZHLX-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608641 673589783 /nfs/dbraw/zinc/58/97/83/673589783.db2.gz OIFCJYBLUPXLJZ-HUUCEWRRSA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000598610407 673590144 /nfs/dbraw/zinc/59/01/44/673590144.db2.gz BDRPPIQIVTTXQY-UKRRQHHQSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000598714970 673602609 /nfs/dbraw/zinc/60/26/09/673602609.db2.gz LDOICTAXAQMHKB-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000599072178 673631380 /nfs/dbraw/zinc/63/13/80/673631380.db2.gz DQFVMWFTJXUQJV-BPLDGKMQSA-N 1 0 355.460 2.414 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000543208303 673632727 /nfs/dbraw/zinc/63/27/27/673632727.db2.gz SJBJYCRBKXHCEI-HOCLYGCPSA-N 1 0 369.487 2.173 20 5 FEBDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000599101860 673633256 /nfs/dbraw/zinc/63/32/56/673633256.db2.gz JBPNVSRCTLDDQZ-UHFFFAOYSA-N 1 0 365.386 2.334 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000740841185 673656815 /nfs/dbraw/zinc/65/68/15/673656815.db2.gz NAWFCLSEFDDABY-YPMHNXCESA-N 1 0 350.375 2.448 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000599626577 673699098 /nfs/dbraw/zinc/69/90/98/673699098.db2.gz RYCNZJUOGHLYOY-XMQPUEPBSA-N 1 0 351.403 2.332 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC000544386253 673709280 /nfs/dbraw/zinc/70/92/80/673709280.db2.gz KENSERZJHUNJNE-HOTGVXAUSA-N 1 0 352.456 2.473 20 5 FEBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000599999559 673732913 /nfs/dbraw/zinc/73/29/13/673732913.db2.gz FLYNRFDPFZKZAC-ATCWAGBWSA-N 1 0 353.806 2.036 20 5 FEBDRO Cc1sc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600007006 673733659 /nfs/dbraw/zinc/73/36/59/673733659.db2.gz KDWNNMUMGUCVEE-UHFFFAOYSA-N 1 0 353.444 2.292 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601192450 673832163 /nfs/dbraw/zinc/83/21/63/673832163.db2.gz WECSGPNVFWKBIF-JTQLQIEISA-N 1 0 366.388 2.031 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601271946 673836900 /nfs/dbraw/zinc/83/69/00/673836900.db2.gz ZTNMBGRDAAULIN-CYBMUJFWSA-N 1 0 353.394 2.307 20 5 FEBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000601335251 673844037 /nfs/dbraw/zinc/84/40/37/673844037.db2.gz SBDCKVZRFFMGCK-NHYWBVRUSA-N 1 0 352.822 2.261 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])s1 ZINC000601341571 673845188 /nfs/dbraw/zinc/84/51/88/673845188.db2.gz GJKONPBMZJBQAI-OLZOCXBDSA-N 1 0 373.500 2.365 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000601437885 673862473 /nfs/dbraw/zinc/86/24/73/673862473.db2.gz WOKRHNYNWQMYOZ-UONOGXRCSA-N 1 0 353.419 2.386 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601496585 673870387 /nfs/dbraw/zinc/87/03/87/673870387.db2.gz GNZQOBNGOATJBB-UHFFFAOYSA-N 1 0 359.473 2.295 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601501487 673871826 /nfs/dbraw/zinc/87/18/26/673871826.db2.gz AUSZQIHUMPRZAY-UHFFFAOYSA-N 1 0 359.423 2.229 20 5 FEBDRO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601958225 673900194 /nfs/dbraw/zinc/90/01/94/673900194.db2.gz YVECMMWRMGHGCV-QGZVFWFLSA-N 1 0 363.801 2.047 20 5 FEBDRO COc1cc(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000602169837 673902852 /nfs/dbraw/zinc/90/28/52/673902852.db2.gz HWLHFIUBCGGXNG-LSDHHAIUSA-N 1 0 351.403 2.071 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000602509684 673906884 /nfs/dbraw/zinc/90/68/84/673906884.db2.gz HPZCCTAOBJSUEB-CZUORRHYSA-N 1 0 351.378 2.092 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602531781 673907390 /nfs/dbraw/zinc/90/73/90/673907390.db2.gz JXKQJTKWPLVOBA-CYBMUJFWSA-N 1 0 368.231 2.301 20 5 FEBDRO COC[C@](C)(CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602572745 673908369 /nfs/dbraw/zinc/90/83/69/673908369.db2.gz LZSWCXUBUYNBGV-NSHDSACASA-N 1 0 353.238 2.296 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)CC1 ZINC000603384720 673927926 /nfs/dbraw/zinc/92/79/26/673927926.db2.gz SHMAQMOKNJUORN-UHFFFAOYSA-N 1 0 373.862 2.355 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000566801517 675243889 /nfs/dbraw/zinc/24/38/89/675243889.db2.gz UIQNHFIPBGONAK-SWLSCSKDSA-N 1 0 360.380 2.424 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000567582521 675303882 /nfs/dbraw/zinc/30/38/82/675303882.db2.gz NFVIFXNLYVYWIV-MLGOLLRUSA-N 1 0 352.341 2.098 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)n1 ZINC000567671956 675311061 /nfs/dbraw/zinc/31/10/61/675311061.db2.gz XHCDGZUSDYDCNV-ZDUSSCGKSA-N 1 0 363.805 2.251 20 5 FEBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000820595500 675372689 /nfs/dbraw/zinc/37/26/89/675372689.db2.gz MVIHZAHWYAZRHB-GXSJLCMTSA-N 1 0 363.386 2.120 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000822182096 675472294 /nfs/dbraw/zinc/47/22/94/675472294.db2.gz FHOILMYPWPYHPY-UHFFFAOYSA-N 1 0 354.382 2.154 20 5 FEBDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000822829553 675509717 /nfs/dbraw/zinc/50/97/17/675509717.db2.gz YGPQFQPYGHIZQS-UHFFFAOYSA-N 1 0 350.419 2.351 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(N2CC[NH2+]CC2)no1 ZINC000823315938 675544283 /nfs/dbraw/zinc/54/42/83/675544283.db2.gz RDHFFIDVBDDZRT-SECBINFHSA-N 1 0 353.766 2.181 20 5 FEBDRO O=C1CC[C@@H]([NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CCN1 ZINC000825147190 675638762 /nfs/dbraw/zinc/63/87/62/675638762.db2.gz CSZBEHDNTUEDRV-CQSZACIVSA-N 1 0 366.849 2.035 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825644193 675662215 /nfs/dbraw/zinc/66/22/15/675662215.db2.gz XRDAGTDIALJUQE-NEPJUHHUSA-N 1 0 353.806 2.150 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825797237 675669435 /nfs/dbraw/zinc/66/94/35/675669435.db2.gz SJNBQYHJDTTZKI-SNVBAGLBSA-N 1 0 371.235 2.357 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826928292 675715991 /nfs/dbraw/zinc/71/59/91/675715991.db2.gz FASUOTUIFTUYEQ-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1SC ZINC000827318246 675747717 /nfs/dbraw/zinc/74/77/17/675747717.db2.gz FSRJJYVXJOZLIU-DGCLKSJQSA-N 1 0 365.455 2.492 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603659078 675800683 /nfs/dbraw/zinc/80/06/83/675800683.db2.gz YGJFSHZQLDEHQP-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000603662536 675800720 /nfs/dbraw/zinc/80/07/20/675800720.db2.gz MFMAAVNGTLGJFN-GFCCVEGCSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930043 675802064 /nfs/dbraw/zinc/80/20/64/675802064.db2.gz GQNFGQNKVYPEEG-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930367 675802124 /nfs/dbraw/zinc/80/21/24/675802124.db2.gz RUVGEDFLVSKCDU-CYBMUJFWSA-N 1 0 370.475 2.166 20 5 FEBDRO Cc1cc(N2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000829352379 675877009 /nfs/dbraw/zinc/87/70/09/675877009.db2.gz ITHFWIRWLKWRPY-ZDUSSCGKSA-N 1 0 366.849 2.347 20 5 FEBDRO CCN(CCC[NH+](CC)CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619499158 676381930 /nfs/dbraw/zinc/38/19/30/676381930.db2.gz CVIGUPCATPJXFN-UHFFFAOYSA-N 1 0 373.475 2.346 20 5 FEBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000619566071 676385148 /nfs/dbraw/zinc/38/51/48/676385148.db2.gz ZQYOKJLCMJESLS-KRWDZBQOSA-N 1 0 363.439 2.338 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2=O ZINC000830448809 677040447 /nfs/dbraw/zinc/04/04/47/677040447.db2.gz UBPZDYSVLLDGLI-ZBEGNZNMSA-N 1 0 366.805 2.188 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839535507 680760174 /nfs/dbraw/zinc/76/01/74/680760174.db2.gz IKSYYHARSHBPLH-LLVKDONJSA-N 1 0 368.821 2.176 20 5 FEBDRO C[C@H]1OCC[C@H]1N(CCO)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589468 680764209 /nfs/dbraw/zinc/76/42/09/680764209.db2.gz MBWLVRONOVMPIH-ZYHUDNBSSA-N 1 0 359.220 2.329 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)C[NH+]2CCCC2)C(F)(F)F)c1F ZINC000839653309 680769164 /nfs/dbraw/zinc/76/91/64/680769164.db2.gz VVIHICGVALFGGA-IINYFYTJSA-N 1 0 365.327 2.384 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911875595 685276257 /nfs/dbraw/zinc/27/62/57/685276257.db2.gz QUGPHMICLFQVJJ-UHFFFAOYSA-N 1 0 353.444 2.287 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818766 680048235 /nfs/dbraw/zinc/04/82/35/680048235.db2.gz PIASYIYYBWSTCT-UHFFFAOYSA-N 1 0 353.423 2.171 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990437 680093628 /nfs/dbraw/zinc/09/36/28/680093628.db2.gz VWQKMXWWGZIDRN-GFCCVEGCSA-N 1 0 366.849 2.147 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000832765383 680174345 /nfs/dbraw/zinc/17/43/45/680174345.db2.gz WURPCGXCRFNYOE-LBPRGKRZSA-N 1 0 359.423 2.146 20 5 FEBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2Cl)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983652332 680318007 /nfs/dbraw/zinc/31/80/07/680318007.db2.gz BCPBFWCPQPWHCI-XIDUGBJDSA-N 1 0 355.797 2.129 20 5 FEBDRO CC(C)(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC000996440871 680332518 /nfs/dbraw/zinc/33/25/18/680332518.db2.gz NTNJSJHPPCIWCM-ZIAGYGMSSA-N 1 0 366.487 2.186 20 5 FEBDRO Cc1nc(C)c(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001029964719 680394213 /nfs/dbraw/zinc/39/42/13/680394213.db2.gz VVXAWGLPYBIEQW-HUUCEWRRSA-N 1 0 366.487 2.096 20 5 FEBDRO Cc1nc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001029964606 680394482 /nfs/dbraw/zinc/39/44/82/680394482.db2.gz QRZHGRAJOOJBQX-GDBMZVCRSA-N 1 0 366.487 2.096 20 5 FEBDRO C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000836124831 680424320 /nfs/dbraw/zinc/42/43/20/680424320.db2.gz GSXBNBKUEDSBRY-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO C[N@H+](Cc1cccc(F)c1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432210 680447809 /nfs/dbraw/zinc/44/78/09/680447809.db2.gz XIOJCPOASXGCBP-UKRRQHHQSA-N 1 0 353.369 2.053 20 5 FEBDRO O=C(NCC1CC[NH+](CCc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001399193 680459802 /nfs/dbraw/zinc/45/98/02/680459802.db2.gz JLHXHXAZTMPFKN-IAGOWNOFSA-N 1 0 365.861 2.376 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000836736931 680505271 /nfs/dbraw/zinc/50/52/71/680505271.db2.gz HCLQHCQDIZZYMT-UHFFFAOYSA-N 1 0 367.833 2.493 20 5 FEBDRO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001005382241 680573482 /nfs/dbraw/zinc/57/34/82/680573482.db2.gz OQXNJSGUYMCHFZ-HZPDHXFCSA-N 1 0 351.472 2.453 20 5 FEBDRO Cc1c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000838142482 680675591 /nfs/dbraw/zinc/67/55/91/680675591.db2.gz NSOFZWIUGBCZSD-GFCCVEGCSA-N 1 0 350.375 2.273 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842509841 680951394 /nfs/dbraw/zinc/95/13/94/680951394.db2.gz JBPKILAIZBGWSL-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000842509892 680951470 /nfs/dbraw/zinc/95/14/70/680951470.db2.gz KKPIDBZOVLRUEO-UHFFFAOYSA-N 1 0 366.849 2.194 20 5 FEBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768722615 680956167 /nfs/dbraw/zinc/95/61/67/680956167.db2.gz ZCSATCBQHOJCSQ-ZDUSSCGKSA-N 1 0 353.806 2.231 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]21 ZINC000843367182 680999972 /nfs/dbraw/zinc/99/99/72/680999972.db2.gz AUUHOHZOHLZHQA-CYZMBNFOSA-N 1 0 352.822 2.246 20 5 FEBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843470672 681005316 /nfs/dbraw/zinc/00/53/16/681005316.db2.gz XLBNQYWRRXODHD-VIFPVBQESA-N 1 0 360.183 2.368 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CCO2 ZINC000844097036 681038439 /nfs/dbraw/zinc/03/84/39/681038439.db2.gz OOZJNROIMMUAHR-UHFFFAOYSA-N 1 0 353.806 2.185 20 5 FEBDRO CC(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000845817954 681154563 /nfs/dbraw/zinc/15/45/63/681154563.db2.gz MOLQEMQULGQCMY-OAHLLOKOSA-N 1 0 370.475 2.025 20 5 FEBDRO CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846017043 681173749 /nfs/dbraw/zinc/17/37/49/681173749.db2.gz AKNJBGVMRTWZHG-UHFFFAOYSA-N 1 0 370.837 2.281 20 5 FEBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000775061636 681271880 /nfs/dbraw/zinc/27/18/80/681271880.db2.gz ZVODQFVXVDYECX-UHFFFAOYSA-N 1 0 350.375 2.382 20 5 FEBDRO O=C1NCC[C@@H]1CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895138 681304366 /nfs/dbraw/zinc/30/43/66/681304366.db2.gz LUMRFTMSERCETO-SNVBAGLBSA-N 1 0 368.231 2.242 20 5 FEBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCC[NH+]1CCC(O)CC1 ZINC000933134261 681368022 /nfs/dbraw/zinc/36/80/22/681368022.db2.gz NXWGISRULXXRQT-UHFFFAOYSA-N 1 0 369.849 2.144 20 5 FEBDRO O=C(C[NH2+][C@]12C[C@H]1COC21CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000933392893 681403336 /nfs/dbraw/zinc/40/33/36/681403336.db2.gz PZFCLHZHBFPRTI-MGPLVRAMSA-N 1 0 351.790 2.488 20 5 FEBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933678176 681450152 /nfs/dbraw/zinc/45/01/52/681450152.db2.gz YOERLUVHUACELG-WBVHZDCISA-N 1 0 350.415 2.491 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000848024271 681463498 /nfs/dbraw/zinc/46/34/98/681463498.db2.gz GFGCQKSZWNVJBF-LBPRGKRZSA-N 1 0 357.838 2.379 20 5 FEBDRO C[NH+](C)CC1CCC(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000778392939 681607295 /nfs/dbraw/zinc/60/72/95/681607295.db2.gz WGOPLPYPHXTFID-UHFFFAOYSA-N 1 0 363.443 2.450 20 5 FEBDRO COc1cc(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)c([N+](=O)[O-])cc1F ZINC000913277200 685474950 /nfs/dbraw/zinc/47/49/50/685474950.db2.gz RPHOFNIUABNEDK-IRXDYDNUSA-N 1 0 351.378 2.156 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCC2SCCS2)cc1[N+](=O)[O-] ZINC000850407230 681899291 /nfs/dbraw/zinc/89/92/91/681899291.db2.gz VUTKEIWGLCXABB-UHFFFAOYSA-N 1 0 372.468 2.432 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781627186 681954222 /nfs/dbraw/zinc/95/42/22/681954222.db2.gz PWVIGEJDISNUJV-LBPRGKRZSA-N 1 0 352.391 2.282 20 5 FEBDRO CC1([NH2+]Cc2csc(C3CC3)n2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107321 682030036 /nfs/dbraw/zinc/03/00/36/682030036.db2.gz IHEDNOMCEICBKN-ZIAGYGMSSA-N 1 0 364.471 2.156 20 5 FEBDRO C[C@@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1CCC[NH3+] ZINC000851645278 682100680 /nfs/dbraw/zinc/10/06/80/682100680.db2.gz BVSHOLVVKQTCJY-IUODEOHRSA-N 1 0 353.394 2.479 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000851898269 682181658 /nfs/dbraw/zinc/18/16/58/682181658.db2.gz UBAFPOCPZNAAME-NSHDSACASA-N 1 0 361.851 2.175 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000917366194 685531610 /nfs/dbraw/zinc/53/16/10/685531610.db2.gz GJUHHOGPRGJYEK-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000917597545 685533214 /nfs/dbraw/zinc/53/32/14/685533214.db2.gz MSIADFIFEXYRBB-CYBMUJFWSA-N 1 0 352.460 2.052 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000918352050 685538677 /nfs/dbraw/zinc/53/86/77/685538677.db2.gz RMMWLRCXELWLEU-HUUCEWRRSA-N 1 0 373.862 2.211 20 5 FEBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000852584645 682304858 /nfs/dbraw/zinc/30/48/58/682304858.db2.gz PJKTVMJCRTXPRT-QCZZGDTMSA-N 1 0 353.806 2.468 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)c1 ZINC000853131695 682380659 /nfs/dbraw/zinc/38/06/59/682380659.db2.gz LQMUZYFRRZBRRH-GJZGRUSLSA-N 1 0 356.300 2.369 20 5 FEBDRO COc1ccc(OS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000788579664 682540548 /nfs/dbraw/zinc/54/05/48/682540548.db2.gz GPBWTFBQUSBSMJ-UHFFFAOYSA-N 1 0 366.395 2.433 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855286671 682653816 /nfs/dbraw/zinc/65/38/16/682653816.db2.gz VFEJESBGALCXHV-LLVKDONJSA-N 1 0 352.410 2.403 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791306828 682733537 /nfs/dbraw/zinc/73/35/37/682733537.db2.gz UPITUFAJUZFHLE-UHFFFAOYSA-N 1 0 352.410 2.214 20 5 FEBDRO CC(C)[NH+]1CCN(CCCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000791883355 682773012 /nfs/dbraw/zinc/77/30/12/682773012.db2.gz HWGRZPRFSGMHKP-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO C[C@H]([NH3+])CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000857107879 682854092 /nfs/dbraw/zinc/85/40/92/682854092.db2.gz LDKYNXQBZJNLEO-VIFPVBQESA-N 1 0 371.235 2.162 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857236156 682867779 /nfs/dbraw/zinc/86/77/79/682867779.db2.gz XUPOKGXNYQJLFH-YGRLFVJLSA-N 1 0 359.835 2.059 20 5 FEBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1COCC2 ZINC000793347222 682883707 /nfs/dbraw/zinc/88/37/07/682883707.db2.gz RDWIGGDWRCBPHO-BLLLJJGKSA-N 1 0 354.790 2.260 20 5 FEBDRO O=C(N1CCC2(C1)CC[NH2+]CC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857767786 682911017 /nfs/dbraw/zinc/91/10/17/682911017.db2.gz HPVVWELZKBYWOC-UHFFFAOYSA-N 1 0 355.341 2.169 20 5 FEBDRO CCc1[nH]nc(C(=O)OCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000795614277 683073199 /nfs/dbraw/zinc/07/31/99/683073199.db2.gz UZMYJNNZJSXJHP-UHFFFAOYSA-N 1 0 350.350 2.308 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795698264 683082183 /nfs/dbraw/zinc/08/21/83/683082183.db2.gz DCNJFCVMEBXTER-GHMZBOCLSA-N 1 0 358.240 2.070 20 5 FEBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000797414614 683248469 /nfs/dbraw/zinc/24/84/69/683248469.db2.gz ONWKDTQLUPRUHR-HNNXBMFYSA-N 1 0 350.400 2.287 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000920315978 683333996 /nfs/dbraw/zinc/33/39/96/683333996.db2.gz SQSLLMADESHHCF-QWRGUYRKSA-N 1 0 359.835 2.153 20 5 FEBDRO CCO[C@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000921336518 683430027 /nfs/dbraw/zinc/43/00/27/683430027.db2.gz OUTJTJPPNXPWGE-UKRRQHHQSA-N 1 0 352.435 2.230 20 5 FEBDRO C[C@H]([NH3+])CN(C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000861549982 683434207 /nfs/dbraw/zinc/43/42/07/683434207.db2.gz VSKGVZKZJXUBDQ-VIFPVBQESA-N 1 0 363.340 2.014 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928434155 683449880 /nfs/dbraw/zinc/44/98/80/683449880.db2.gz HMBSHPOGLRQQGT-ZANVPECISA-N 1 0 356.220 2.488 20 5 FEBDRO C[C@@H]1[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000928456112 683455656 /nfs/dbraw/zinc/45/56/56/683455656.db2.gz NTEWBRURSPVMHZ-BXKDBHETSA-N 1 0 361.320 2.358 20 5 FEBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1C[C@@H](C)O[C@@H](C)C1 ZINC000862142368 683536279 /nfs/dbraw/zinc/53/62/79/683536279.db2.gz YVKCXWAWTNRKJY-SDDRHHMPSA-N 1 0 355.822 2.476 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000930883803 683796568 /nfs/dbraw/zinc/79/65/68/683796568.db2.gz IRCKPVROOLFUET-JSGCOSHPSA-N 1 0 366.443 2.305 20 5 FEBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865858883 684037339 /nfs/dbraw/zinc/03/73/39/684037339.db2.gz LNMXUEBBFRKCTI-LBPRGKRZSA-N 1 0 370.247 2.310 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866205566 684082909 /nfs/dbraw/zinc/08/29/09/684082909.db2.gz MTCQGMDWLXZYJF-NHYWBVRUSA-N 1 0 351.378 2.441 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000866338753 684093000 /nfs/dbraw/zinc/09/30/00/684093000.db2.gz XHSVYBRVCSMHNF-IAGOWNOFSA-N 1 0 368.455 2.306 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000866820332 684160767 /nfs/dbraw/zinc/16/07/67/684160767.db2.gz QBHTWWRANCJMIP-PWSUYJOCSA-N 1 0 359.835 2.011 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923734768 684342337 /nfs/dbraw/zinc/34/23/37/684342337.db2.gz PHQWHQPRXNGTTD-INIZCTEOSA-N 1 0 353.444 2.064 20 5 FEBDRO C[NH+](C)C1(C)CCC(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000871357573 684807765 /nfs/dbraw/zinc/80/77/65/684807765.db2.gz OUNVLMRWHZXPTE-UHFFFAOYSA-N 1 0 353.394 2.492 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000872028960 684916372 /nfs/dbraw/zinc/91/63/72/684916372.db2.gz ODTIISUIEQLAIS-NWDGAFQWSA-N 1 0 373.500 2.391 20 5 FEBDRO COCCC(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872049217 684916938 /nfs/dbraw/zinc/91/69/38/684916938.db2.gz QKTGLPMPMVTIRY-GFCCVEGCSA-N 1 0 353.394 2.412 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000872091446 684918919 /nfs/dbraw/zinc/91/89/19/684918919.db2.gz HQSKASZDUCSSGK-MEDUHNTESA-N 1 0 367.427 2.189 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]12COC(=O)N1CCOC2 ZINC000872091445 684918995 /nfs/dbraw/zinc/91/89/95/684918995.db2.gz HQSKASZDUCSSGK-BZNIZROVSA-N 1 0 367.427 2.189 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000872248951 684932087 /nfs/dbraw/zinc/93/20/87/684932087.db2.gz YFUBMBSWCMKXHZ-VIFPVBQESA-N 1 0 350.322 2.022 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000873100738 685071112 /nfs/dbraw/zinc/07/11/12/685071112.db2.gz CSPSIEPKZFQABO-PBHICJAKSA-N 1 0 368.455 2.038 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877358119 686362027 /nfs/dbraw/zinc/36/20/27/686362027.db2.gz BCQTUJNUMXADQD-HTQZYQBOSA-N 1 0 351.712 2.457 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(F)(F)F ZINC000877368510 686366510 /nfs/dbraw/zinc/36/65/10/686366510.db2.gz UVVXFAMNCJOMAD-XCBNKYQSSA-N 1 0 351.712 2.457 20 5 FEBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877389536 686370472 /nfs/dbraw/zinc/37/04/72/686370472.db2.gz NCVWFJNSVPFBMT-JSGCOSHPSA-N 1 0 354.204 2.372 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000878169905 686534246 /nfs/dbraw/zinc/53/42/46/686534246.db2.gz WYVSZLVGWXPIEF-ZDUSSCGKSA-N 1 0 353.423 2.041 20 5 FEBDRO CC(C)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000879599752 686867001 /nfs/dbraw/zinc/86/70/01/686867001.db2.gz AGQVSMDDJTVYBH-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881472987 687136711 /nfs/dbraw/zinc/13/67/11/687136711.db2.gz XEZBSKGFPRSZTE-HNNXBMFYSA-N 1 0 351.378 2.107 20 5 FEBDRO O=[N+]([O-])c1c(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)nc2sccn21 ZINC000882725035 687457096 /nfs/dbraw/zinc/45/70/96/687457096.db2.gz JEAFWFUPJNBIML-GFCCVEGCSA-N 1 0 351.432 2.041 20 5 FEBDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883225760 687591047 /nfs/dbraw/zinc/59/10/47/687591047.db2.gz MMNLKFIMNIZQPU-JTQLQIEISA-N 1 0 373.251 2.497 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959451 687975841 /nfs/dbraw/zinc/97/58/41/687975841.db2.gz LOYQMUSWMYNXTR-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959453 687975907 /nfs/dbraw/zinc/97/59/07/687975907.db2.gz LOYQMUSWMYNXTR-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000886899238 688335920 /nfs/dbraw/zinc/33/59/20/688335920.db2.gz FQTONVDMFAZGHE-MRXNPFEDSA-N 1 0 353.444 2.058 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCC([NH2+]CCO)CC1 ZINC000893024076 689283356 /nfs/dbraw/zinc/28/33/56/689283356.db2.gz XFASLLKBSNNXJB-UHFFFAOYSA-N 1 0 350.806 2.347 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO[C@@H]3CCCCO3)CC2)cn1 ZINC000894792879 689597648 /nfs/dbraw/zinc/59/76/48/689597648.db2.gz FDUAEWXAMJQLQS-QGZVFWFLSA-N 1 0 350.419 2.091 20 5 FEBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000898482522 690189894 /nfs/dbraw/zinc/18/98/94/690189894.db2.gz XYHKINKDKJUQED-YPMHNXCESA-N 1 0 352.387 2.433 20 5 FEBDRO [NH3+]CCCCc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640884 690542023 /nfs/dbraw/zinc/54/20/23/690542023.db2.gz FULQNUUSMHSJGU-UHFFFAOYSA-N 1 0 354.208 2.279 20 5 FEBDRO C[NH+]1CCC2(CCN2C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000903034278 690836269 /nfs/dbraw/zinc/83/62/69/690836269.db2.gz QNOSZDZQQQLNEB-UHFFFAOYSA-N 1 0 355.341 2.263 20 5 FEBDRO COc1cc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc([N+](=O)[O-])c1 ZINC000903190141 690864199 /nfs/dbraw/zinc/86/41/99/690864199.db2.gz PBRBHXRKGJMKPP-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO COc1cc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc([N+](=O)[O-])c1 ZINC000903190142 690864238 /nfs/dbraw/zinc/86/42/38/690864238.db2.gz PBRBHXRKGJMKPP-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO CO[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCS(=O)(=O)C1 ZINC000903364074 690886393 /nfs/dbraw/zinc/88/63/93/690886393.db2.gz UAWKYAVMIBNVDN-SJORKVTESA-N 1 0 368.455 2.156 20 5 FEBDRO O=C(CCN[C@@H]1CC[NH2+]C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000903483695 690898446 /nfs/dbraw/zinc/89/84/46/690898446.db2.gz KGNDOYWRFJYBBC-OAHLLOKOSA-N 1 0 350.394 2.327 20 5 FEBDRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000903485277 690898878 /nfs/dbraw/zinc/89/88/78/690898878.db2.gz LKITYYSFFKNPOZ-CQSZACIVSA-N 1 0 352.822 2.451 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000905477288 691123804 /nfs/dbraw/zinc/12/38/04/691123804.db2.gz DKOXNOYCANUMFQ-WBVHZDCISA-N 1 0 350.415 2.273 20 5 FEBDRO CCC[N@H+](CC)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906881347 691335565 /nfs/dbraw/zinc/33/55/65/691335565.db2.gz TWNWQBGKZNSHDQ-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000908588894 691702429 /nfs/dbraw/zinc/70/24/29/691702429.db2.gz LCJXLNXYUCPZTB-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001164729953 720506020 /nfs/dbraw/zinc/50/60/20/720506020.db2.gz KZAFJGPIGCZEJM-NSHDSACASA-N 1 0 350.810 2.038 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164770864 721292932 /nfs/dbraw/zinc/29/29/32/721292932.db2.gz WZTNHBZSYQTOHB-UHFFFAOYSA-N 1 0 360.414 2.089 20 5 FEBDRO O=[N+]([O-])c1cccc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984077 722105660 /nfs/dbraw/zinc/10/56/60/722105660.db2.gz RRDHSUWDEIFYLA-IRXDYDNUSA-N 1 0 369.425 2.112 20 5 FEBDRO CC(C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCN(C)CC1 ZINC000486428298 887893134 /nfs/dbraw/zinc/89/31/34/887893134.db2.gz BZXCEOZIZTWAOZ-MRXNPFEDSA-N 1 0 374.445 2.329 20 5 FEBDRO CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1(C)C ZINC000515642272 888967459 /nfs/dbraw/zinc/96/74/59/888967459.db2.gz CDLPRQAMXYUJPM-RDTXWAMCSA-N 1 0 373.413 2.456 20 5 FEBDRO CNc1nccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000517583596 539372657 /nfs/dbraw/zinc/37/26/57/539372657.db2.gz LZPLESKDYLJWPE-UHFFFAOYSA-N 1 0 361.446 2.416 20 5 FEBDRO COC(=O)c1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc([N+](=O)[O-])c1 ZINC000015387644 539617470 /nfs/dbraw/zinc/61/74/70/539617470.db2.gz CZJPAPHNBMRVEK-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO CNC(=O)c1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029931543 539869400 /nfs/dbraw/zinc/86/94/00/539869400.db2.gz HEAYDDSMWOLRDL-UHFFFAOYSA-N 1 0 370.409 2.415 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000032441197 539939138 /nfs/dbraw/zinc/93/91/38/539939138.db2.gz BQJYOAWZSXPVAQ-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000041886394 540038218 /nfs/dbraw/zinc/03/82/18/540038218.db2.gz OZJWXSHTRDNTMU-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000043269608 540094654 /nfs/dbraw/zinc/09/46/54/540094654.db2.gz AXFJTVIXACWDRA-UHFFFAOYSA-N 1 0 361.402 2.151 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000047145405 540292696 /nfs/dbraw/zinc/29/26/96/540292696.db2.gz KADCQILHTPEFES-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000047905339 540333442 /nfs/dbraw/zinc/33/34/42/540333442.db2.gz NGVXVBDVIGOKRV-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1cc(C(=O)NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000047922794 540334453 /nfs/dbraw/zinc/33/44/53/540334453.db2.gz MGWKLCOSWKIUGK-GFCCVEGCSA-N 1 0 373.356 2.275 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)c1ccsc1 ZINC000048249123 540353808 /nfs/dbraw/zinc/35/38/08/540353808.db2.gz VNXVGFAKHPWEOO-ZDUSSCGKSA-N 1 0 352.391 2.410 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000050801882 540414288 /nfs/dbraw/zinc/41/42/88/540414288.db2.gz ILARDUXOXLLLCS-QPJJXVBHSA-N 1 0 372.469 2.283 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000052160302 540456448 /nfs/dbraw/zinc/45/64/48/540456448.db2.gz JLFAEZDMHACJOD-UHFFFAOYSA-N 1 0 352.391 2.448 20 5 FEBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000056528075 540732465 /nfs/dbraw/zinc/73/24/65/540732465.db2.gz FVORATCFVKOJRJ-UHFFFAOYSA-N 1 0 350.375 2.416 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057166539 540774306 /nfs/dbraw/zinc/77/43/06/540774306.db2.gz GSPQMRYJWSNOEC-UHFFFAOYSA-N 1 0 370.409 2.149 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC1 ZINC000057702320 540809312 /nfs/dbraw/zinc/80/93/12/540809312.db2.gz JDCAANZHENSNLX-LBPRGKRZSA-N 1 0 357.414 2.208 20 5 FEBDRO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@@H+]1CCC[C@H](C)C1 ZINC000060645035 541120046 /nfs/dbraw/zinc/12/00/46/541120046.db2.gz WUQPLTCCWYUYSF-STQMWFEESA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1C ZINC000064598138 541212224 /nfs/dbraw/zinc/21/22/24/541212224.db2.gz LYEHHYBAZJWTSL-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000064333669 541201321 /nfs/dbraw/zinc/20/13/21/541201321.db2.gz YJTSPZLWLCPVGI-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000065769808 541260141 /nfs/dbraw/zinc/26/01/41/541260141.db2.gz YMMYEGSLYIFDRI-UHFFFAOYSA-N 1 0 371.441 2.484 20 5 FEBDRO Cc1cc(C)cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000065977885 541276297 /nfs/dbraw/zinc/27/62/97/541276297.db2.gz LMZQTMFFLWWBDM-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C[NH+]1CCCCC1 ZINC000066627538 541349614 /nfs/dbraw/zinc/34/96/14/541349614.db2.gz GCLBETQKWFZACU-ZDUSSCGKSA-N 1 0 363.414 2.218 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000067045102 541410374 /nfs/dbraw/zinc/41/03/74/541410374.db2.gz UFIFPAWUILKMEK-AWEZNQCLSA-N 1 0 367.471 2.389 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@@H+]1CCC[C@H](C)C1 ZINC000067137259 541422733 /nfs/dbraw/zinc/42/27/33/541422733.db2.gz OAQHGEYTMLERQO-KBPBESRZSA-N 1 0 372.429 2.026 20 5 FEBDRO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+]1CCC(C)CC1 ZINC000067272020 541438849 /nfs/dbraw/zinc/43/88/49/541438849.db2.gz ARZROGWUBVLZGS-CYBMUJFWSA-N 1 0 363.414 2.216 20 5 FEBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000067398125 541457164 /nfs/dbraw/zinc/45/71/64/541457164.db2.gz JHUZDOPUHBNHOM-STQMWFEESA-N 1 0 362.430 2.078 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067483445 541469968 /nfs/dbraw/zinc/46/99/68/541469968.db2.gz PFAZHNCZMNDZPN-UHFFFAOYSA-N 1 0 360.418 2.027 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000067614367 541489989 /nfs/dbraw/zinc/48/99/89/541489989.db2.gz MGZGHOQCBJDRIZ-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1OC ZINC000067634434 541493334 /nfs/dbraw/zinc/49/33/34/541493334.db2.gz IZJPGQQPNNXZLO-CYBMUJFWSA-N 1 0 365.430 2.462 20 5 FEBDRO CC[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000068101431 541548961 /nfs/dbraw/zinc/54/89/61/541548961.db2.gz GMJCJGUSYQGPAQ-QGZVFWFLSA-N 1 0 371.441 2.135 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000068449799 541593493 /nfs/dbraw/zinc/59/34/93/541593493.db2.gz XZIRXSLRTWNVGJ-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO COc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000069126476 541661381 /nfs/dbraw/zinc/66/13/81/541661381.db2.gz MELZBFXDXFOHPB-UHFFFAOYSA-N 1 0 365.430 2.408 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000069138633 541661904 /nfs/dbraw/zinc/66/19/04/541661904.db2.gz XLTGUWVBBPRQQD-ZDUSSCGKSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070892007 541748816 /nfs/dbraw/zinc/74/88/16/541748816.db2.gz MVVGUWMNEYCEFZ-CYBMUJFWSA-N 1 0 363.414 2.360 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000072716228 541855908 /nfs/dbraw/zinc/85/59/08/541855908.db2.gz JWMBBZNQPSAGKN-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075766946 542202811 /nfs/dbraw/zinc/20/28/11/542202811.db2.gz XDUMSNRJFBRXRR-YPMHNXCESA-N 1 0 353.448 2.173 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000075716839 542200454 /nfs/dbraw/zinc/20/04/54/542200454.db2.gz FOKQFDQJJKEANI-OAHLLOKOSA-N 1 0 366.368 2.310 20 5 FEBDRO CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743359 542201268 /nfs/dbraw/zinc/20/12/68/542201268.db2.gz RMHBWDFNZSYOEO-KRWDZBQOSA-N 1 0 350.394 2.246 20 5 FEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000077315925 542365663 /nfs/dbraw/zinc/36/56/63/542365663.db2.gz SCAQSSKWKGXVMB-KRWDZBQOSA-N 1 0 358.442 2.044 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078506424 542464415 /nfs/dbraw/zinc/46/44/15/542464415.db2.gz LZXIRPLYDPHUMH-INIZCTEOSA-N 1 0 354.410 2.404 20 5 FEBDRO C[C@H](O)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512952 542465793 /nfs/dbraw/zinc/46/57/93/542465793.db2.gz LFOZKYDUEQWZHS-YOEHRIQHSA-N 1 0 352.431 2.350 20 5 FEBDRO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000079197892 542506645 /nfs/dbraw/zinc/50/66/45/542506645.db2.gz UTQMDNJISSWONE-OAHLLOKOSA-N 1 0 356.444 2.263 20 5 FEBDRO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000072011650 221396335 /nfs/dbraw/zinc/39/63/35/221396335.db2.gz AUQHYPRAFHJUTC-UHFFFAOYSA-N 1 0 372.381 2.137 20 5 FEBDRO COCCC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000079443951 542518385 /nfs/dbraw/zinc/51/83/85/542518385.db2.gz IOYFGHNHORGRBC-UHFFFAOYSA-N 1 0 365.430 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424311 542697426 /nfs/dbraw/zinc/69/74/26/542697426.db2.gz QMHOUXSOGIBQQG-UHFFFAOYSA-N 1 0 358.402 2.230 20 5 FEBDRO COC(=O)c1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc(C)c1[N+](=O)[O-] ZINC000089603242 542766867 /nfs/dbraw/zinc/76/68/67/542766867.db2.gz OFTARPAEVOGZMO-HNNXBMFYSA-N 1 0 363.414 2.355 20 5 FEBDRO C[N@H+](CCN1CCOCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092974737 542899133 /nfs/dbraw/zinc/89/91/33/542899133.db2.gz YGSVOBLMQOWKSQ-UHFFFAOYSA-N 1 0 358.236 2.121 20 5 FEBDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093311104 542925603 /nfs/dbraw/zinc/92/56/03/542925603.db2.gz WSEDZILTYGJMES-CQSZACIVSA-N 1 0 357.410 2.467 20 5 FEBDRO CC(C)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093821187 542942152 /nfs/dbraw/zinc/94/21/52/542942152.db2.gz UASFBJYLBTXVMX-GOSISDBHSA-N 1 0 374.485 2.457 20 5 FEBDRO Cc1nn(C)c(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000098098118 543020510 /nfs/dbraw/zinc/02/05/10/543020510.db2.gz URYYYDQJUWAEEF-UHFFFAOYSA-N 1 0 371.441 2.203 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000102489987 543072177 /nfs/dbraw/zinc/07/21/77/543072177.db2.gz CIHSKIFIGBSJHX-ACJLOTCBSA-N 1 0 365.478 2.425 20 5 FEBDRO Nc1c(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000107628302 543274272 /nfs/dbraw/zinc/27/42/72/543274272.db2.gz JZCPBZQQDPPDPZ-CYBMUJFWSA-N 1 0 350.394 2.407 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000107892140 543280971 /nfs/dbraw/zinc/28/09/71/543280971.db2.gz IDJHKJMRUOUHHP-ZDUSSCGKSA-N 1 0 357.414 2.067 20 5 FEBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111274374 543391245 /nfs/dbraw/zinc/39/12/45/543391245.db2.gz GERTYSQYRNOALR-GXTWGEPZSA-N 1 0 351.403 2.431 20 5 FEBDRO C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000112275566 543437969 /nfs/dbraw/zinc/43/79/69/543437969.db2.gz OCTVICVASJPDSW-AWEZNQCLSA-N 1 0 369.425 2.233 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000113899471 543497792 /nfs/dbraw/zinc/49/77/92/543497792.db2.gz HGMHVINUMXMYCJ-ZFWWWQNUSA-N 1 0 363.462 2.363 20 5 FEBDRO COc1ccc(C(=O)NCc2ccccc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000122894172 543730228 /nfs/dbraw/zinc/73/02/28/543730228.db2.gz KLFNFHOGOXZUMT-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128177280 544036957 /nfs/dbraw/zinc/03/69/57/544036957.db2.gz KUUTURZGMNCBLS-CYBMUJFWSA-N 1 0 374.319 2.183 20 5 FEBDRO Cc1nccn1CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129898124 544131495 /nfs/dbraw/zinc/13/14/95/544131495.db2.gz UYXXHCWALPHEFW-UHFFFAOYSA-N 1 0 369.381 2.151 20 5 FEBDRO Cc1ccc(N2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000131289018 544184021 /nfs/dbraw/zinc/18/40/21/544184021.db2.gz JIMOKJDOXOPCOB-UHFFFAOYSA-N 1 0 356.426 2.277 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000134056246 544292501 /nfs/dbraw/zinc/29/25/01/544292501.db2.gz OOECSBMQLUCKKB-GFCCVEGCSA-N 1 0 359.423 2.053 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000134539602 544312406 /nfs/dbraw/zinc/31/24/06/544312406.db2.gz NBCBDIUOMIRILM-TXEJJXNPSA-N 1 0 355.822 2.477 20 5 FEBDRO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000135426892 544346751 /nfs/dbraw/zinc/34/67/51/544346751.db2.gz BILVFKAGUFZFGW-UHFFFAOYSA-N 1 0 361.442 2.484 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000135546403 544351753 /nfs/dbraw/zinc/35/17/53/544351753.db2.gz MUTINTPVOPPCAI-HNNXBMFYSA-N 1 0 359.382 2.075 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137064296 544383724 /nfs/dbraw/zinc/38/37/24/544383724.db2.gz UKXJIZGLVCDXAM-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000152002831 544605159 /nfs/dbraw/zinc/60/51/59/544605159.db2.gz SVICMKBHBMZUPK-AWEZNQCLSA-N 1 0 355.460 2.136 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152297761 544635427 /nfs/dbraw/zinc/63/54/27/544635427.db2.gz SEMBTHSSKKTHNG-LBPRGKRZSA-N 1 0 351.403 2.167 20 5 FEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895419 544708617 /nfs/dbraw/zinc/70/86/17/544708617.db2.gz VRKSLJPYTDVALW-IRXDYDNUSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1C ZINC000152916788 544711015 /nfs/dbraw/zinc/71/10/15/544711015.db2.gz OLRRIKOLSCPOKV-ZBFHGGJFSA-N 1 0 367.471 2.316 20 5 FEBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153981393 544849006 /nfs/dbraw/zinc/84/90/06/544849006.db2.gz ZEKPSWUBNLHITJ-GOEBONIOSA-N 1 0 359.426 2.449 20 5 FEBDRO Cc1noc(C)c1CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154498890 544913440 /nfs/dbraw/zinc/91/34/40/544913440.db2.gz SQLQSGXJPSHNHA-GOSISDBHSA-N 1 0 360.414 2.051 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000154563021 544921886 /nfs/dbraw/zinc/92/18/86/544921886.db2.gz UIUMYCIOPYUWJV-IBGZPJMESA-N 1 0 357.410 2.152 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000553675783 674278720 /nfs/dbraw/zinc/27/87/20/674278720.db2.gz VFJGWWRHMCNNDC-OLZOCXBDSA-N 1 0 353.444 2.061 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000180652346 327695797 /nfs/dbraw/zinc/69/57/97/327695797.db2.gz ZLCXXVWRIBDQKJ-UHFFFAOYSA-N 1 0 364.471 2.268 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000181458042 327731741 /nfs/dbraw/zinc/73/17/41/327731741.db2.gz LWZJNIVVMRKOEF-CQSZACIVSA-N 1 0 361.398 2.414 20 5 FEBDRO C[C@](CO)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181904890 327752005 /nfs/dbraw/zinc/75/20/05/327752005.db2.gz QDVQLWLZOJAOPB-MAUKXSAKSA-N 1 0 352.431 2.255 20 5 FEBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000182021735 327757411 /nfs/dbraw/zinc/75/74/11/327757411.db2.gz ZJQTVGIYYOCFBQ-BLLLJJGKSA-N 1 0 362.430 2.336 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182674696 327784312 /nfs/dbraw/zinc/78/43/12/327784312.db2.gz OFHGHBYTUDPRIY-UHFFFAOYSA-N 1 0 368.821 2.179 20 5 FEBDRO Cc1cc(C(=O)NCC(=O)Nc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000183091953 327801203 /nfs/dbraw/zinc/80/12/03/327801203.db2.gz ZUIJGURVGUKZLA-UHFFFAOYSA-N 1 0 370.409 2.333 20 5 FEBDRO [NH3+][C@H]1CC[C@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000186921670 327990584 /nfs/dbraw/zinc/99/05/84/327990584.db2.gz YVSVUROITOPWMG-XHSDSOJGSA-N 1 0 358.442 2.007 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000189110873 328129162 /nfs/dbraw/zinc/12/91/62/328129162.db2.gz ZXBIBNGBWKCEQD-INIZCTEOSA-N 1 0 357.476 2.381 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000190053849 328184907 /nfs/dbraw/zinc/18/49/07/328184907.db2.gz CDJONVKUIIBKBA-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000190930684 328240837 /nfs/dbraw/zinc/24/08/37/328240837.db2.gz NXHIBTLRVNLFBV-UHFFFAOYSA-N 1 0 358.402 2.283 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)n1 ZINC000191531434 328269914 /nfs/dbraw/zinc/26/99/14/328269914.db2.gz FKWSFKZMBXRAAW-AWEZNQCLSA-N 1 0 351.451 2.298 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000191530722 328270018 /nfs/dbraw/zinc/27/00/18/328270018.db2.gz URBDYMNKCVLVGK-UHFFFAOYSA-N 1 0 371.441 2.248 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000191842769 328284391 /nfs/dbraw/zinc/28/43/91/328284391.db2.gz KHLAHZDDTLOVGH-UKRRQHHQSA-N 1 0 357.414 2.204 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)n1 ZINC000191870300 328286033 /nfs/dbraw/zinc/28/60/33/328286033.db2.gz NLTNPNKEXKIRDU-ZDUSSCGKSA-N 1 0 372.429 2.162 20 5 FEBDRO COc1ccnc(NC2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000192868897 328344183 /nfs/dbraw/zinc/34/41/83/328344183.db2.gz RYEDTZFVUKXIFT-MRXNPFEDSA-N 1 0 373.413 2.003 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000193283384 328366872 /nfs/dbraw/zinc/36/68/72/328366872.db2.gz BSXDWJOEAOFMLM-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000045549917 324580837 /nfs/dbraw/zinc/58/08/37/324580837.db2.gz YKJUOPFISNCCQR-UHFFFAOYSA-N 1 0 363.462 2.158 20 5 FEBDRO Cc1cc(NCCN2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000234346072 328488450 /nfs/dbraw/zinc/48/84/50/328488450.db2.gz JBIJUTARAJZVGE-UHFFFAOYSA-N 1 0 357.252 2.325 20 5 FEBDRO CC[C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000236942372 328498864 /nfs/dbraw/zinc/49/88/64/328498864.db2.gz SQRGTHZRJXQPFZ-ZIAGYGMSSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000237248556 328509823 /nfs/dbraw/zinc/50/98/23/328509823.db2.gz ZLPNHWBJZJGXKE-INIZCTEOSA-N 1 0 355.460 2.326 20 5 FEBDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000077667518 325003975 /nfs/dbraw/zinc/00/39/75/325003975.db2.gz JOCNKHAGUONGIU-NSHDSACASA-N 1 0 350.375 2.273 20 5 FEBDRO C[NH2+]CCN(C)C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000237353487 328513388 /nfs/dbraw/zinc/51/33/88/328513388.db2.gz ZNXJCJLRHAHUSI-CYBMUJFWSA-N 1 0 357.414 2.454 20 5 FEBDRO C[C@@]([NH3+])(C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000237364040 328513910 /nfs/dbraw/zinc/51/39/10/328513910.db2.gz LXSLHZRSMYWWKU-IBGZPJMESA-N 1 0 354.410 2.118 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080125852 325118286 /nfs/dbraw/zinc/11/82/86/325118286.db2.gz KPNUWBJZFYMIJV-INIZCTEOSA-N 1 0 364.446 2.240 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000081332586 325169850 /nfs/dbraw/zinc/16/98/50/325169850.db2.gz CBPSXFRDUSYVND-CQSZACIVSA-N 1 0 365.430 2.173 20 5 FEBDRO O=C(CC[NH+]1CCC(O)(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000089969544 325346888 /nfs/dbraw/zinc/34/68/88/325346888.db2.gz SOOVMNSCSQWXLT-UHFFFAOYSA-N 1 0 361.320 2.313 20 5 FEBDRO CS(=O)(=O)CC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000090182947 325356038 /nfs/dbraw/zinc/35/60/38/325356038.db2.gz PVFNBUPBGBRRCU-OAHLLOKOSA-N 1 0 352.456 2.330 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000107600090 325630835 /nfs/dbraw/zinc/63/08/35/325630835.db2.gz CFSSTJAKAKAXLC-QGZVFWFLSA-N 1 0 369.425 2.481 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107707989 325633883 /nfs/dbraw/zinc/63/38/83/325633883.db2.gz CWKCQEICCJHIEO-ZDUSSCGKSA-N 1 0 371.434 2.373 20 5 FEBDRO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000116348541 326008768 /nfs/dbraw/zinc/00/87/68/326008768.db2.gz KIPWJYLTJBSQTA-DOTOQJQBSA-N 1 0 371.441 2.475 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000116399659 326011179 /nfs/dbraw/zinc/01/11/79/326011179.db2.gz HEOLQLOZLFJUHF-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO Cc1nn(CCC(=O)NCCC[NH+]2CCC(C)CC2)c(C)c1[N+](=O)[O-] ZINC000116651964 326028554 /nfs/dbraw/zinc/02/85/54/326028554.db2.gz OOOWBDMEMXEHSX-UHFFFAOYSA-N 1 0 351.451 2.036 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117767927 326070330 /nfs/dbraw/zinc/07/03/30/326070330.db2.gz VIOBEBZTALHCOF-UHFFFAOYSA-N 1 0 355.822 2.018 20 5 FEBDRO CCC(CC)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000118098494 326081094 /nfs/dbraw/zinc/08/10/94/326081094.db2.gz OOADEHQQUIUCSZ-HNNXBMFYSA-N 1 0 350.419 2.016 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000120616820 326273010 /nfs/dbraw/zinc/27/30/10/326273010.db2.gz CSDYSGUWPSCBDQ-OCCSQVGLSA-N 1 0 362.430 2.091 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000120815268 326290202 /nfs/dbraw/zinc/29/02/02/326290202.db2.gz ABJYSTKXIOAJOW-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1C ZINC000120958317 326302398 /nfs/dbraw/zinc/30/23/98/326302398.db2.gz QQLAARPZYWRJPB-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121087806 326312307 /nfs/dbraw/zinc/31/23/07/326312307.db2.gz SRHRDORYWPLEHI-DYVFJYSZSA-N 1 0 357.414 2.193 20 5 FEBDRO C[NH+](C)CCC1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000121607148 326351455 /nfs/dbraw/zinc/35/14/55/326351455.db2.gz UCJJXWXMPFWRCM-UHFFFAOYSA-N 1 0 360.458 2.148 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000122170613 326386435 /nfs/dbraw/zinc/38/64/35/326386435.db2.gz XHKABQBELVZLOY-GDBMZVCRSA-N 1 0 374.441 2.093 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124835438 326460979 /nfs/dbraw/zinc/46/09/79/326460979.db2.gz NSPPFZGCSXWWBA-LBPRGKRZSA-N 1 0 361.489 2.317 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000126862084 326496443 /nfs/dbraw/zinc/49/64/43/326496443.db2.gz XIGSUKOFKCCKDG-OAHLLOKOSA-N 1 0 369.425 2.338 20 5 FEBDRO Cc1nn(CCC(=O)NC2CCC(C[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000129898484 326548134 /nfs/dbraw/zinc/54/81/34/326548134.db2.gz GMUIUYDEQAXMPL-UHFFFAOYSA-N 1 0 351.451 2.035 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000132868386 326599136 /nfs/dbraw/zinc/59/91/36/326599136.db2.gz HPYADTASOJRRNQ-ZIAGYGMSSA-N 1 0 365.478 2.363 20 5 FEBDRO C[NH+](C)[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000151429142 326682284 /nfs/dbraw/zinc/68/22/84/326682284.db2.gz NMZIFMIKTSGDOG-LBPRGKRZSA-N 1 0 356.220 2.062 20 5 FEBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000152895538 326718935 /nfs/dbraw/zinc/71/89/35/326718935.db2.gz VRKSLJPYTDVALW-IAGOWNOFSA-N 1 0 350.415 2.226 20 5 FEBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000153419158 326732402 /nfs/dbraw/zinc/73/24/02/326732402.db2.gz UKDAYYJJKAGFAD-LJQANCHMSA-N 1 0 372.425 2.381 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000154189132 326753467 /nfs/dbraw/zinc/75/34/67/326753467.db2.gz VSGZZBMFMFHDSW-INIZCTEOSA-N 1 0 367.471 2.375 20 5 FEBDRO C[NH+](C)C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000155262371 326782842 /nfs/dbraw/zinc/78/28/42/326782842.db2.gz MDFCQDFALPLNTQ-MRXNPFEDSA-N 1 0 360.414 2.055 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158350454 326892885 /nfs/dbraw/zinc/89/28/85/326892885.db2.gz SXBHJOSKSMEULK-AWEZNQCLSA-N 1 0 354.204 2.183 20 5 FEBDRO Cc1c(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000161821998 327010105 /nfs/dbraw/zinc/01/01/05/327010105.db2.gz SSZLPPIQKBHBAU-UHFFFAOYSA-N 1 0 361.442 2.017 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162388235 327024390 /nfs/dbraw/zinc/02/43/90/327024390.db2.gz SKUDAIAVNBNHDX-IBGZPJMESA-N 1 0 371.441 2.271 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164232277 327067102 /nfs/dbraw/zinc/06/71/02/327067102.db2.gz VABKQZMTMSFPDJ-GXTWGEPZSA-N 1 0 362.386 2.368 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000170953981 327109786 /nfs/dbraw/zinc/10/97/86/327109786.db2.gz HHCKESHOBXLYFJ-LBPRGKRZSA-N 1 0 362.455 2.175 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171570113 327146006 /nfs/dbraw/zinc/14/60/06/327146006.db2.gz UYLDFFHVVNMBOQ-UHFFFAOYSA-N 1 0 351.428 2.460 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000171803934 327162480 /nfs/dbraw/zinc/16/24/80/327162480.db2.gz XKILSXQRFQXXKY-UHFFFAOYSA-N 1 0 372.429 2.275 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000172168628 327185145 /nfs/dbraw/zinc/18/51/45/327185145.db2.gz SNCCSXOVKLKMLZ-LBPRGKRZSA-N 1 0 351.403 2.026 20 5 FEBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000172550544 327207833 /nfs/dbraw/zinc/20/78/33/327207833.db2.gz BBCQEWPWDXYMIJ-SNVBAGLBSA-N 1 0 356.220 2.381 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172648039 327213248 /nfs/dbraw/zinc/21/32/48/327213248.db2.gz OEHLBMJEBNBEJP-UHFFFAOYSA-N 1 0 360.414 2.010 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000173023962 327231028 /nfs/dbraw/zinc/23/10/28/327231028.db2.gz YIWXOEILHMGCRU-SNVBAGLBSA-N 1 0 359.835 2.011 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173045370 327232238 /nfs/dbraw/zinc/23/22/38/327232238.db2.gz LUHUEZHOGXYTCS-CRAIPNDOSA-N 1 0 363.458 2.391 20 5 FEBDRO Cc1cccc(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000173290028 327247413 /nfs/dbraw/zinc/24/74/13/327247413.db2.gz DQXCJZTWYJJOFW-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO CC[NH+]1CCC(CCNS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000173513819 327262821 /nfs/dbraw/zinc/26/28/21/327262821.db2.gz USBDMXSVXLLUHT-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173572344 327267773 /nfs/dbraw/zinc/26/77/73/327267773.db2.gz PCFRCCKWKCCJJT-MRXNPFEDSA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173632681 327272508 /nfs/dbraw/zinc/27/25/08/327272508.db2.gz FDEMJSJLMVHDAM-HNNXBMFYSA-N 1 0 367.471 2.400 20 5 FEBDRO COc1ccc(NC(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000173644015 327273214 /nfs/dbraw/zinc/27/32/14/327273214.db2.gz IBDRGUQDDNAHPD-CQSZACIVSA-N 1 0 364.446 2.348 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000173703541 327278245 /nfs/dbraw/zinc/27/82/45/327278245.db2.gz FWARDMTTWOWZKJ-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000174024186 327302475 /nfs/dbraw/zinc/30/24/75/327302475.db2.gz FMEJQVZCMCADKF-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174176430 327310980 /nfs/dbraw/zinc/31/09/80/327310980.db2.gz VGMQZTJUANMOEJ-MRXNPFEDSA-N 1 0 357.414 2.337 20 5 FEBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1CCOc1ccccc1 ZINC000174467526 327328490 /nfs/dbraw/zinc/32/84/90/327328490.db2.gz ZVWLGSWGEPODJM-MRXNPFEDSA-N 1 0 355.394 2.364 20 5 FEBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1CCOc1ccccc1 ZINC000174467535 327328714 /nfs/dbraw/zinc/32/87/14/327328714.db2.gz ZVWLGSWGEPODJM-INIZCTEOSA-N 1 0 355.394 2.364 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000174477924 327329462 /nfs/dbraw/zinc/32/94/62/327329462.db2.gz PSNBCUVDQXSVOF-CQSZACIVSA-N 1 0 357.414 2.194 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000175034407 327369416 /nfs/dbraw/zinc/36/94/16/327369416.db2.gz JPTKEIWYNHMEHL-UONOGXRCSA-N 1 0 363.414 2.067 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000175272171 327383811 /nfs/dbraw/zinc/38/38/11/327383811.db2.gz JJJUPJPBRLOUFI-DZGCQCFKSA-N 1 0 370.409 2.478 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176939147 327486243 /nfs/dbraw/zinc/48/62/43/327486243.db2.gz HDFUYQYBVTZVCG-UHFFFAOYSA-N 1 0 353.444 2.280 20 5 FEBDRO [NH3+]C1(c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])s3)n2)CCC1 ZINC000261694839 328812284 /nfs/dbraw/zinc/81/22/84/328812284.db2.gz HUBUEFJXFCHBQE-SECBINFHSA-N 1 0 363.399 2.355 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262186530 328849580 /nfs/dbraw/zinc/84/95/80/328849580.db2.gz BXJJDDDTMMQOFP-INIZCTEOSA-N 1 0 361.423 2.069 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000264369841 329015438 /nfs/dbraw/zinc/01/54/38/329015438.db2.gz CMSQYGAPWBTMEH-QZEKMECESA-N 1 0 372.469 2.237 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000264543462 329034373 /nfs/dbraw/zinc/03/43/73/329034373.db2.gz BFMRDCOPFZJTBY-OAHLLOKOSA-N 1 0 353.444 2.234 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264635311 329043119 /nfs/dbraw/zinc/04/31/19/329043119.db2.gz UWWXYLPTPAOFLJ-CYBMUJFWSA-N 1 0 373.862 2.497 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCS(=O)(=O)C3)cs2)c1 ZINC000264987448 329080981 /nfs/dbraw/zinc/08/09/81/329080981.db2.gz WGKHAFWCXPCBQP-NSHDSACASA-N 1 0 367.452 2.243 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099277 329090905 /nfs/dbraw/zinc/09/09/05/329090905.db2.gz XEBJZEZVQDSSPV-UONOGXRCSA-N 1 0 361.446 2.180 20 5 FEBDRO COc1cc(C(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265923141 329173125 /nfs/dbraw/zinc/17/31/25/329173125.db2.gz CLPXPENJKGJRBC-UHFFFAOYSA-N 1 0 351.403 2.216 20 5 FEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000266014316 329181812 /nfs/dbraw/zinc/18/18/12/329181812.db2.gz QMCCYTKBBYQRSC-IRXDYDNUSA-N 1 0 350.415 2.355 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266816506 329262612 /nfs/dbraw/zinc/26/26/12/329262612.db2.gz XCBOQOMLZYEJBR-OAHLLOKOSA-N 1 0 364.446 2.477 20 5 FEBDRO CC[C@H](C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000266825896 329263419 /nfs/dbraw/zinc/26/34/19/329263419.db2.gz LNFHBZCFDPKIQD-CQSZACIVSA-N 1 0 367.446 2.391 20 5 FEBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267063012 329287795 /nfs/dbraw/zinc/28/77/95/329287795.db2.gz JCQDMKPGHXKPEC-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000267498333 329333368 /nfs/dbraw/zinc/33/33/68/329333368.db2.gz RVCJINFFEZLVFY-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CCOC(=O)c1cc(N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000268223747 329398503 /nfs/dbraw/zinc/39/85/03/329398503.db2.gz SSVASCSJJKGZNT-UHFFFAOYSA-N 1 0 363.414 2.073 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000269109352 329486626 /nfs/dbraw/zinc/48/66/26/329486626.db2.gz AIMQMWIJAMAYPG-SJORKVTESA-N 1 0 362.430 2.403 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)CC1 ZINC000270057765 329571322 /nfs/dbraw/zinc/57/13/22/329571322.db2.gz DPWOQVXYPQNDTD-CYBMUJFWSA-N 1 0 362.386 2.307 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000272305382 329768632 /nfs/dbraw/zinc/76/86/32/329768632.db2.gz RAMVXZMGEHUFOB-YUMQZZPRSA-N 1 0 360.183 2.306 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1OC ZINC000272509712 329786925 /nfs/dbraw/zinc/78/69/25/329786925.db2.gz GABGMZCEXQIZJQ-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000272920380 329823466 /nfs/dbraw/zinc/82/34/66/329823466.db2.gz ITAJNPILWDTQSG-UHFFFAOYSA-N 1 0 364.423 2.475 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000273499187 329869595 /nfs/dbraw/zinc/86/95/95/329869595.db2.gz YHSMZCOHBFPDIA-JMJZKYOTSA-N 1 0 371.340 2.014 20 5 FEBDRO O=[N+]([O-])c1cnn(Cc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000273720096 329886070 /nfs/dbraw/zinc/88/60/70/329886070.db2.gz MGKWAZCOQHLJNI-UHFFFAOYSA-N 1 0 354.370 2.485 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCOCCOCCOC ZINC000274467865 329951902 /nfs/dbraw/zinc/95/19/02/329951902.db2.gz YQHCVQSIVCAONA-UHFFFAOYSA-N 1 0 356.419 2.153 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1OC ZINC000275173891 330018398 /nfs/dbraw/zinc/01/83/98/330018398.db2.gz BYUOGDKHAYXQHG-CORIIIEPSA-N 1 0 351.403 2.478 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCO)C3CCOCC3)o2)c1 ZINC000275580749 330066058 /nfs/dbraw/zinc/06/60/58/330066058.db2.gz PUUNTGVYTKZVQA-UHFFFAOYSA-N 1 0 361.398 2.266 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)CO)o2)c(Br)c1 ZINC000276006403 330110699 /nfs/dbraw/zinc/11/06/99/330110699.db2.gz ASGBIHOGRRMXOG-SNVBAGLBSA-N 1 0 371.187 2.060 20 5 FEBDRO C[NH+](C)CCc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000276288509 330137421 /nfs/dbraw/zinc/13/74/21/330137421.db2.gz SVGSCFCLGSGKPQ-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000276453364 330153668 /nfs/dbraw/zinc/15/36/68/330153668.db2.gz MWRMLZOXYFXIDR-UHFFFAOYSA-N 1 0 350.375 2.451 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000276612179 330169856 /nfs/dbraw/zinc/16/98/56/330169856.db2.gz PPBKQYSELMNJFT-UHFFFAOYSA-N 1 0 355.822 2.397 20 5 FEBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331791748 330201532 /nfs/dbraw/zinc/20/15/32/330201532.db2.gz KHMMLVSZAXLGQG-ZDUSSCGKSA-N 1 0 366.393 2.310 20 5 FEBDRO CCc1ccc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000367052263 330211676 /nfs/dbraw/zinc/21/16/76/330211676.db2.gz JKFHLWPDPWSNIP-YJBOKZPZSA-N 1 0 374.485 2.255 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367074160 330213749 /nfs/dbraw/zinc/21/37/49/330213749.db2.gz NWWZVYWQRLMGAW-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448625025 330279433 /nfs/dbraw/zinc/27/94/33/330279433.db2.gz KVTVPAQZIJKVKR-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO CCCN(CC)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000555142443 674349544 /nfs/dbraw/zinc/34/95/44/674349544.db2.gz JKNQRHRESZVMRM-UHFFFAOYSA-N 1 0 372.491 2.061 20 5 FEBDRO CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c[nH+]ccc21 ZINC000176976818 517947563 /nfs/dbraw/zinc/94/75/63/517947563.db2.gz FRWKKQKBMVNIIO-UHFFFAOYSA-N 1 0 368.802 2.288 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156712763 545651429 /nfs/dbraw/zinc/65/14/29/545651429.db2.gz UQSYGRRKDNGSOF-OAHLLOKOSA-N 1 0 362.430 2.032 20 5 FEBDRO CCOCCO[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157718073 545773739 /nfs/dbraw/zinc/77/37/39/545773739.db2.gz YMDBCPZHVRKLDG-INIZCTEOSA-N 1 0 351.403 2.051 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477955682 561157003 /nfs/dbraw/zinc/15/70/03/561157003.db2.gz OGBKTUBRYYILPV-UHFFFAOYSA-N 1 0 369.425 2.386 20 5 FEBDRO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000158662676 545881499 /nfs/dbraw/zinc/88/14/99/545881499.db2.gz BZTCFVVIWWLIRN-PKOBYXMFSA-N 1 0 369.421 2.208 20 5 FEBDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159386733 545949141 /nfs/dbraw/zinc/94/91/41/545949141.db2.gz UZBUDPOECWFCEM-BVBGJJFLSA-N 1 0 367.471 2.402 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827282 545984177 /nfs/dbraw/zinc/98/41/77/545984177.db2.gz PQUWCRPRGYSSIF-IAGOWNOFSA-N 1 0 362.474 2.343 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000160161026 546013299 /nfs/dbraw/zinc/01/32/99/546013299.db2.gz XDNKBXRFKDWIOQ-GFCCVEGCSA-N 1 0 359.473 2.295 20 5 FEBDRO Cc1sc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000160413562 546038731 /nfs/dbraw/zinc/03/87/31/546038731.db2.gz MARKFXUYIQOGHK-HIFRSBDPSA-N 1 0 367.471 2.462 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161337240 546121126 /nfs/dbraw/zinc/12/11/26/546121126.db2.gz PJLKSRGEXJKGLD-CYBMUJFWSA-N 1 0 355.398 2.065 20 5 FEBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000162734953 546141230 /nfs/dbraw/zinc/14/12/30/546141230.db2.gz PMCAVUOVOJCLJO-UWVGGRQHSA-N 1 0 372.219 2.310 20 5 FEBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172234674 546243026 /nfs/dbraw/zinc/24/30/26/546243026.db2.gz XJZOMTLKFKUSRF-AWEZNQCLSA-N 1 0 357.414 2.194 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000480066368 561202352 /nfs/dbraw/zinc/20/23/52/561202352.db2.gz DWEUUIABGYIGIY-UHFFFAOYSA-N 1 0 364.494 2.114 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000176212953 546419836 /nfs/dbraw/zinc/41/98/36/546419836.db2.gz STCSYJWPTWEEDQ-UHFFFAOYSA-N 1 0 353.423 2.123 20 5 FEBDRO COC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(F)c1 ZINC000176238996 546422999 /nfs/dbraw/zinc/42/29/99/546422999.db2.gz KXGYYJXUBNEZQJ-UHFFFAOYSA-N 1 0 368.340 2.135 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176288126 546427855 /nfs/dbraw/zinc/42/78/55/546427855.db2.gz ZBTPHQSQRUFHGA-MRXNPFEDSA-N 1 0 357.414 2.076 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511148 561210868 /nfs/dbraw/zinc/21/08/68/561210868.db2.gz LSPWBQOIIKCXST-AWEZNQCLSA-N 1 0 357.414 2.454 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000480689507 561214485 /nfs/dbraw/zinc/21/44/85/561214485.db2.gz NIFUIDMNVMBQQQ-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000177313946 546592932 /nfs/dbraw/zinc/59/29/32/546592932.db2.gz MEWGNEJIERNNTL-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000481000798 561222580 /nfs/dbraw/zinc/22/25/80/561222580.db2.gz CFGPXMDSQJXVKP-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)c1C ZINC000481034910 561223470 /nfs/dbraw/zinc/22/34/70/561223470.db2.gz JWQOPDVMZDLMEE-UHFFFAOYSA-N 1 0 350.400 2.473 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1[N+](=O)[O-] ZINC000178688950 546833000 /nfs/dbraw/zinc/83/30/00/546833000.db2.gz GKVOORZCMZVIQK-ZFWWWQNUSA-N 1 0 357.414 2.483 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000178730347 546840041 /nfs/dbraw/zinc/84/00/41/546840041.db2.gz DEYNORYCFAAXEN-LBPRGKRZSA-N 1 0 354.370 2.430 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179554939 546977335 /nfs/dbraw/zinc/97/73/35/546977335.db2.gz IPHAOFUDQOUZEX-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO CN(CC[C@H]1CCCC[N@@H+]1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180032065 547041468 /nfs/dbraw/zinc/04/14/68/547041468.db2.gz CBLIWEDRLNMEKY-MRXNPFEDSA-N 1 0 369.487 2.273 20 5 FEBDRO COC(=O)C1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180398028 547100150 /nfs/dbraw/zinc/10/01/50/547100150.db2.gz CACMFQPTVFOPGI-QWHCGFSZSA-N 1 0 363.414 2.046 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000180498187 547118943 /nfs/dbraw/zinc/11/89/43/547118943.db2.gz VMNYDCGCRMHVBD-INIZCTEOSA-N 1 0 355.398 2.139 20 5 FEBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000180829561 547187144 /nfs/dbraw/zinc/18/71/44/547187144.db2.gz PKVOLCXKMYAOTI-GFCCVEGCSA-N 1 0 369.468 2.455 20 5 FEBDRO C[C@H](CO)[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000483137538 561268511 /nfs/dbraw/zinc/26/85/11/561268511.db2.gz LRLZZAYURCLQNV-CYBMUJFWSA-N 1 0 363.414 2.376 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181563122 547336569 /nfs/dbraw/zinc/33/65/69/547336569.db2.gz ADVRVYSONJXMKR-GFCCVEGCSA-N 1 0 373.356 2.037 20 5 FEBDRO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181786017 547380530 /nfs/dbraw/zinc/38/05/30/547380530.db2.gz WVMPZUCXELTPAF-CQSZACIVSA-N 1 0 370.471 2.384 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000181902124 547401097 /nfs/dbraw/zinc/40/10/97/547401097.db2.gz NDEOJHFJWBRTTG-KRWDZBQOSA-N 1 0 363.458 2.285 20 5 FEBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182299603 547469599 /nfs/dbraw/zinc/46/95/99/547469599.db2.gz ZKMBZPBKWPWOAR-BBRMVZONSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000182523202 547507280 /nfs/dbraw/zinc/50/72/80/547507280.db2.gz QOJFKSGTGGPNRX-CQSZACIVSA-N 1 0 373.457 2.435 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182822677 547558005 /nfs/dbraw/zinc/55/80/05/547558005.db2.gz VBLOREBDECSFHG-NSHDSACASA-N 1 0 358.324 2.344 20 5 FEBDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000183398822 547650931 /nfs/dbraw/zinc/65/09/31/547650931.db2.gz UWZFWHZUWMWREG-IBGZPJMESA-N 1 0 369.421 2.400 20 5 FEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000183430768 547657775 /nfs/dbraw/zinc/65/77/75/547657775.db2.gz ULINSMIWMZIYAP-ZDUSSCGKSA-N 1 0 372.219 2.310 20 5 FEBDRO COC(=O)c1cn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)nn1 ZINC000183719820 547706721 /nfs/dbraw/zinc/70/67/21/547706721.db2.gz DNRZVABLCQJPPL-UHFFFAOYSA-N 1 0 359.386 2.118 20 5 FEBDRO CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1Cc1ccccc1 ZINC000183756657 547713871 /nfs/dbraw/zinc/71/38/71/547713871.db2.gz DWAWMMGRTBIFFI-SFHVURJKSA-N 1 0 370.453 2.353 20 5 FEBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184306418 547804474 /nfs/dbraw/zinc/80/44/74/547804474.db2.gz CEPOQBQHCSBRFT-LBPRGKRZSA-N 1 0 354.838 2.004 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000185062757 547926366 /nfs/dbraw/zinc/92/63/66/547926366.db2.gz RBOLTYLEYXDFHO-NWDGAFQWSA-N 1 0 359.423 2.193 20 5 FEBDRO C[NH+](C)CC1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000185097689 547932961 /nfs/dbraw/zinc/93/29/61/547932961.db2.gz AYUCKELAZLTUDC-UHFFFAOYSA-N 1 0 369.487 2.179 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000185779134 548034618 /nfs/dbraw/zinc/03/46/18/548034618.db2.gz JFTOMLBCHVBBFY-CQSZACIVSA-N 1 0 363.439 2.394 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000193948037 548412139 /nfs/dbraw/zinc/41/21/39/548412139.db2.gz HMMDPCAURPWWCH-ZDUSSCGKSA-N 1 0 350.419 2.277 20 5 FEBDRO C[C@@H](C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000194279266 548459115 /nfs/dbraw/zinc/45/91/15/548459115.db2.gz MZRFMVLYQMRMOV-AWEZNQCLSA-N 1 0 363.439 2.266 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194752045 548527776 /nfs/dbraw/zinc/52/77/76/548527776.db2.gz XZOHKPJWNWKESY-HNNXBMFYSA-N 1 0 354.410 2.429 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876077 561358751 /nfs/dbraw/zinc/35/87/51/561358751.db2.gz BLKBPLFXSIHDLR-MFKMUULPSA-N 1 0 364.402 2.294 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000237199304 548807227 /nfs/dbraw/zinc/80/72/27/548807227.db2.gz GMZKEGQEZPSHSO-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237265507 548813639 /nfs/dbraw/zinc/81/36/39/548813639.db2.gz WPYQESRUNKMVSR-ZDUSSCGKSA-N 1 0 351.403 2.249 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237533492 548832188 /nfs/dbraw/zinc/83/21/88/548832188.db2.gz WVKGGJIXQXHKPX-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245525104 548939893 /nfs/dbraw/zinc/93/98/93/548939893.db2.gz OCXZLMFHEOWCFV-XQQFMLRXSA-N 1 0 363.414 2.420 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095701 561383411 /nfs/dbraw/zinc/38/34/11/561383411.db2.gz RSQVTSVLPJXBIN-DYVFJYSZSA-N 1 0 364.446 2.202 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000246114263 549055105 /nfs/dbraw/zinc/05/51/05/549055105.db2.gz INVPGAXPUYAYOQ-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246130448 549058804 /nfs/dbraw/zinc/05/88/04/549058804.db2.gz JPPYPIXQADAPGZ-CMPLNLGQSA-N 1 0 361.851 2.209 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758539 561396261 /nfs/dbraw/zinc/39/62/61/561396261.db2.gz JLGFESKDUYYNCY-WDEREUQCSA-N 1 0 360.357 2.450 20 5 FEBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C2CC2)c1 ZINC000246741648 549201650 /nfs/dbraw/zinc/20/16/50/549201650.db2.gz PDWUADNYYCOCRT-ZWKOTPCHSA-N 1 0 350.415 2.116 20 5 FEBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000246821180 549220798 /nfs/dbraw/zinc/22/07/98/549220798.db2.gz XFPVNKURQBJLEX-PKOBYXMFSA-N 1 0 358.442 2.422 20 5 FEBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247016851 549265624 /nfs/dbraw/zinc/26/56/24/549265624.db2.gz QFVROIGVUOQNTJ-JKSUJKDBSA-N 1 0 363.462 2.294 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000247210805 549300000 /nfs/dbraw/zinc/30/00/00/549300000.db2.gz WYANPQNHHCETDT-WCQYABFASA-N 1 0 373.862 2.353 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000247300954 549314348 /nfs/dbraw/zinc/31/43/48/549314348.db2.gz OYCGNFITTNSCCM-KBXCAEBGSA-N 1 0 369.425 2.337 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000247312904 549314953 /nfs/dbraw/zinc/31/49/53/549314953.db2.gz FVTOGSXVWDDAIH-GDBMZVCRSA-N 1 0 367.471 2.316 20 5 FEBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000247687143 549371630 /nfs/dbraw/zinc/37/16/30/549371630.db2.gz SGAHHYFCFUHKHK-KYJSFNMBSA-N 1 0 360.414 2.114 20 5 FEBDRO CN(CC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000248440290 549437267 /nfs/dbraw/zinc/43/72/67/549437267.db2.gz CZBCYYMXTSJHJL-QGZVFWFLSA-N 1 0 359.426 2.403 20 5 FEBDRO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1C[C@H](C)O ZINC000248564744 549458677 /nfs/dbraw/zinc/45/86/77/549458677.db2.gz IFXKUSFJFXEFID-DZGCQCFKSA-N 1 0 350.419 2.212 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1SC ZINC000248567560 549459503 /nfs/dbraw/zinc/45/95/03/549459503.db2.gz CAZZXQNGENWTIU-ZMLRMANQSA-N 1 0 351.428 2.135 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCO[C@@H]1C ZINC000489442789 561411526 /nfs/dbraw/zinc/41/15/26/561411526.db2.gz WOTWPFQGDSRCBA-RHSMWYFYSA-N 1 0 365.430 2.358 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCO[C@H]1C ZINC000489442794 561411529 /nfs/dbraw/zinc/41/15/29/561411529.db2.gz WOTWPFQGDSRCBA-YOEHRIQHSA-N 1 0 365.430 2.358 20 5 FEBDRO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000489508983 561413146 /nfs/dbraw/zinc/41/31/46/561413146.db2.gz KMNQJXNAQOGCBV-HIFRSBDPSA-N 1 0 354.403 2.108 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249687219 549615181 /nfs/dbraw/zinc/61/51/81/549615181.db2.gz KHVPQOLCVJYTIY-PBHICJAKSA-N 1 0 364.446 2.312 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261802014 549756934 /nfs/dbraw/zinc/75/69/34/549756934.db2.gz QXYSYGRLUYDTNT-CVEARBPZSA-N 1 0 354.410 2.208 20 5 FEBDRO CCc1ccc([C@H]2C[NH2+]CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000261889129 549767212 /nfs/dbraw/zinc/76/72/12/549767212.db2.gz ZLAJELPQBCTSSW-LJQANCHMSA-N 1 0 368.437 2.403 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000262059761 549784569 /nfs/dbraw/zinc/78/45/69/549784569.db2.gz RPRNRJJOKLWTIR-HNNXBMFYSA-N 1 0 359.329 2.016 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000262157944 549794177 /nfs/dbraw/zinc/79/41/77/549794177.db2.gz GPAOUQGVNHABBM-HNNXBMFYSA-N 1 0 351.403 2.120 20 5 FEBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000262568202 549829161 /nfs/dbraw/zinc/82/91/61/549829161.db2.gz AHZDOCWBOHUGBG-JTQLQIEISA-N 1 0 361.320 2.217 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000264175550 549988155 /nfs/dbraw/zinc/98/81/55/549988155.db2.gz JBUAKNONYHTOME-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO COc1cc(CN2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491091870 561442831 /nfs/dbraw/zinc/44/28/31/561442831.db2.gz QOUZZIYCVSSGAV-NSHDSACASA-N 1 0 359.373 2.383 20 5 FEBDRO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268616033 550094304 /nfs/dbraw/zinc/09/43/04/550094304.db2.gz ZLOJRQOIIPBLHI-GOSISDBHSA-N 1 0 368.437 2.400 20 5 FEBDRO CC(=O)NC1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000268833520 550121648 /nfs/dbraw/zinc/12/16/48/550121648.db2.gz KSWSQUCIVYREPM-GRTSSRMGSA-N 1 0 362.430 2.349 20 5 FEBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000270487552 550276997 /nfs/dbraw/zinc/27/69/97/550276997.db2.gz UBQVVJRSUSAGJT-YJBOKZPZSA-N 1 0 363.414 2.269 20 5 FEBDRO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270730824 550301345 /nfs/dbraw/zinc/30/13/45/550301345.db2.gz YKKGWLMJYDSPOO-QGZVFWFLSA-N 1 0 363.458 2.226 20 5 FEBDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000270794340 550307526 /nfs/dbraw/zinc/30/75/26/550307526.db2.gz KQGNHRYKUOCXJK-LBPRGKRZSA-N 1 0 359.386 2.291 20 5 FEBDRO C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000494039913 561461225 /nfs/dbraw/zinc/46/12/25/561461225.db2.gz VZWHJVJZYUAASD-SWLSCSKDSA-N 1 0 356.382 2.088 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271143789 550345194 /nfs/dbraw/zinc/34/51/94/550345194.db2.gz OWTYOHBBEXGQNT-TZMCWYRMSA-N 1 0 371.459 2.068 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]CCCN(CC)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271189855 550350859 /nfs/dbraw/zinc/35/08/59/550350859.db2.gz XNCVWXUZGGTBJW-ZDUSSCGKSA-N 1 0 373.475 2.316 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271336252 550366492 /nfs/dbraw/zinc/36/64/92/550366492.db2.gz FJGSWUGQOMRLMN-OAHLLOKOSA-N 1 0 367.409 2.271 20 5 FEBDRO CS[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271609755 550389479 /nfs/dbraw/zinc/38/94/79/550389479.db2.gz KBQZAPHZYMHEAB-MNOVXSKESA-N 1 0 361.265 2.234 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272401343 550443881 /nfs/dbraw/zinc/44/38/81/550443881.db2.gz VHFUJDJCVHJAAM-LLVKDONJSA-N 1 0 363.443 2.403 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CCCN2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405600 550444794 /nfs/dbraw/zinc/44/47/94/550444794.db2.gz KIAQMUCFCXFZCP-GFCCVEGCSA-N 1 0 359.373 2.431 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1OC ZINC000272627939 550461499 /nfs/dbraw/zinc/46/14/99/550461499.db2.gz BCGSYFDWAKAYBZ-GFCCVEGCSA-N 1 0 363.414 2.382 20 5 FEBDRO C[NH+](C)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)c1ccsc1 ZINC000272874880 550474955 /nfs/dbraw/zinc/47/49/55/550474955.db2.gz FCCPGKKMIHUIJF-CYBMUJFWSA-N 1 0 370.456 2.019 20 5 FEBDRO COCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273308423 550494210 /nfs/dbraw/zinc/49/42/10/550494210.db2.gz TUXICYZIBCTGOZ-UONOGXRCSA-N 1 0 350.371 2.295 20 5 FEBDRO C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000273378652 550496333 /nfs/dbraw/zinc/49/63/33/550496333.db2.gz ANNYBBCRCALNQY-CQSZACIVSA-N 1 0 364.446 2.144 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]12 ZINC000273500836 550500582 /nfs/dbraw/zinc/50/05/82/550500582.db2.gz YOGNCUDJFRKCKL-PPKCKEKNSA-N 1 0 372.194 2.306 20 5 FEBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274511323 550541316 /nfs/dbraw/zinc/54/13/16/550541316.db2.gz XJVDWTGKRXUZBY-OAHLLOKOSA-N 1 0 362.474 2.015 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000276642605 550580898 /nfs/dbraw/zinc/58/08/98/550580898.db2.gz VDVOGCSQHGFDDT-UHFFFAOYSA-N 1 0 368.865 2.266 20 5 FEBDRO COc1cc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000276921321 550611460 /nfs/dbraw/zinc/61/14/60/550611460.db2.gz YUALKWSHLXZRNA-DZGCQCFKSA-N 1 0 353.444 2.029 20 5 FEBDRO Cc1noc(C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c2ccccc2)n1 ZINC000277161838 550638506 /nfs/dbraw/zinc/63/85/06/550638506.db2.gz KFNPTMQBZWICLC-MRXNPFEDSA-N 1 0 369.381 2.022 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000277242229 550646965 /nfs/dbraw/zinc/64/69/65/550646965.db2.gz JFEAOGLGJOWQER-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000494847549 561477551 /nfs/dbraw/zinc/47/75/51/561477551.db2.gz JXMQQJOHGNOZTE-UHFFFAOYSA-N 1 0 373.450 2.416 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277631077 550694264 /nfs/dbraw/zinc/69/42/64/550694264.db2.gz DGVAGWVQTGYUQA-LBPRGKRZSA-N 1 0 360.418 2.002 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000278142868 550754184 /nfs/dbraw/zinc/75/41/84/550754184.db2.gz AGZQNWZPWNHCHW-VXGBXAGGSA-N 1 0 360.418 2.095 20 5 FEBDRO CS[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000278314463 550771905 /nfs/dbraw/zinc/77/19/05/550771905.db2.gz HKBNUDNABJBVTG-MNOVXSKESA-N 1 0 350.366 2.490 20 5 FEBDRO COc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000278486575 550791620 /nfs/dbraw/zinc/79/16/20/550791620.db2.gz GBDLHQQUKPJOCO-UHFFFAOYSA-N 1 0 363.414 2.216 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000279197698 550864168 /nfs/dbraw/zinc/86/41/68/550864168.db2.gz MGGYOWAKHCVQEI-UHFFFAOYSA-N 1 0 352.410 2.403 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000279542571 550901533 /nfs/dbraw/zinc/90/15/33/550901533.db2.gz WZDZFTXQHCFRGD-UHFFFAOYSA-N 1 0 350.394 2.407 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)[C@@H]3CCOC3)cs2)c1 ZINC000280298790 550978201 /nfs/dbraw/zinc/97/82/01/550978201.db2.gz NGUVAKWTKWGMDN-KGLIPLIRSA-N 1 0 363.439 2.453 20 5 FEBDRO CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000281399754 551092393 /nfs/dbraw/zinc/09/23/93/551092393.db2.gz IVMLLLMRPQNXRT-UHFFFAOYSA-N 1 0 368.821 2.131 20 5 FEBDRO CCOC(=O)c1cc(NCCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281564773 551114165 /nfs/dbraw/zinc/11/41/65/551114165.db2.gz DJFZOIQAXCJNTE-UHFFFAOYSA-N 1 0 364.446 2.209 20 5 FEBDRO CN(C(=O)C[NH2+][C@@]1(CO)CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000281711547 551133638 /nfs/dbraw/zinc/13/36/38/551133638.db2.gz OOFAOUXVJVUMDW-HXUWFJFHSA-N 1 0 369.421 2.371 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000281732645 551136776 /nfs/dbraw/zinc/13/67/76/551136776.db2.gz XQCXTXIRADTCRZ-KRWDZBQOSA-N 1 0 367.471 2.226 20 5 FEBDRO CCn1ccnc1[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000281889459 551153319 /nfs/dbraw/zinc/15/33/19/551153319.db2.gz STDVAYSDRLLBSD-CQSZACIVSA-N 1 0 360.418 2.460 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC12CCOCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000282036511 551172524 /nfs/dbraw/zinc/17/25/24/551172524.db2.gz LFEJRONWMSIZSD-QGZVFWFLSA-N 1 0 359.426 2.423 20 5 FEBDRO CN(CC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390049 561500045 /nfs/dbraw/zinc/50/00/45/561500045.db2.gz YNRPBGKBNVZBDU-IAGOWNOFSA-N 1 0 368.437 2.245 20 5 FEBDRO Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)c1 ZINC000282359593 551217280 /nfs/dbraw/zinc/21/72/80/551217280.db2.gz XIDGFKWVQHRCHT-MOPGFXCFSA-N 1 0 354.410 2.267 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465684 551233161 /nfs/dbraw/zinc/23/31/61/551233161.db2.gz NIZSYUVDOHATOL-IEAZIUSSSA-N 1 0 364.398 2.157 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000282569392 551247371 /nfs/dbraw/zinc/24/73/71/551247371.db2.gz AEZQQRPWKPMVDY-UHFFFAOYSA-N 1 0 373.388 2.106 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000282966424 551290982 /nfs/dbraw/zinc/29/09/82/551290982.db2.gz ONVDBBCVJYMVDK-GFCCVEGCSA-N 1 0 351.794 2.014 20 5 FEBDRO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283177908 551324226 /nfs/dbraw/zinc/32/42/26/551324226.db2.gz ZOSHDXXJIPMRGA-UHFFFAOYSA-N 1 0 373.457 2.148 20 5 FEBDRO CN1CCO[C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000283950541 551455857 /nfs/dbraw/zinc/45/58/57/551455857.db2.gz AOKXOEKFDOIOCC-DLBZAZTESA-N 1 0 372.425 2.197 20 5 FEBDRO [NH3+][C@H](CC(F)F)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498204382 561518373 /nfs/dbraw/zinc/51/83/73/561518373.db2.gz HRHBHWHWYFUZMK-MRVPVSSYSA-N 1 0 370.278 2.124 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000498555134 561528133 /nfs/dbraw/zinc/52/81/33/561528133.db2.gz OSKFNUBORPVNSX-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@@H+]1CC[C@@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000284836869 551646886 /nfs/dbraw/zinc/64/68/86/551646886.db2.gz NFCODTQVTLHHQM-SJORKVTESA-N 1 0 358.398 2.155 20 5 FEBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000284840000 551647472 /nfs/dbraw/zinc/64/74/72/551647472.db2.gz KZJYFXYNOSOGMK-SWLSCSKDSA-N 1 0 361.450 2.119 20 5 FEBDRO O=C(C[NH+]1CCC2(CCOCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000284883281 551658003 /nfs/dbraw/zinc/65/80/03/551658003.db2.gz VXIMFWXDPOKVRM-UHFFFAOYSA-N 1 0 359.426 2.377 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285159334 551712961 /nfs/dbraw/zinc/71/29/61/551712961.db2.gz AJUKJNUPRVIDDN-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285347103 551741832 /nfs/dbraw/zinc/74/18/32/551741832.db2.gz PGPYIBBMSJZKOW-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000285473550 551762021 /nfs/dbraw/zinc/76/20/21/551762021.db2.gz OAPGDXBDGZJVCF-FCGDIQPGSA-N 1 0 356.426 2.420 20 5 FEBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285529754 551770494 /nfs/dbraw/zinc/77/04/94/551770494.db2.gz HGRXHRDGKQQZNY-KBPBESRZSA-N 1 0 355.460 2.259 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285789315 551811031 /nfs/dbraw/zinc/81/10/31/551811031.db2.gz ZHUMLMRQERDYDI-YIONKMFJSA-N 1 0 367.471 2.457 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000286247896 551865515 /nfs/dbraw/zinc/86/55/15/551865515.db2.gz SBCFOVFFTXUEFA-TZMCWYRMSA-N 1 0 351.403 2.073 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000286738570 551920800 /nfs/dbraw/zinc/92/08/00/551920800.db2.gz OJBQXNHTWXJXOV-TZMCWYRMSA-N 1 0 371.434 2.290 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286828949 551930455 /nfs/dbraw/zinc/93/04/55/551930455.db2.gz LBSCHTHQRQIJPC-CZUORRHYSA-N 1 0 362.430 2.101 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000287219943 551977884 /nfs/dbraw/zinc/97/78/84/551977884.db2.gz QFCRIOUFYYJUDZ-SWLSCSKDSA-N 1 0 351.378 2.198 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000288380329 552143755 /nfs/dbraw/zinc/14/37/55/552143755.db2.gz VICXAFKKJMASNM-RHSMWYFYSA-N 1 0 371.441 2.269 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000499897258 561560928 /nfs/dbraw/zinc/56/09/28/561560928.db2.gz QHQAXHSFJQOREL-AWEZNQCLSA-N 1 0 360.414 2.259 20 5 FEBDRO CN(C(=O)c1ccc([N+](=O)[O-])n1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000500036780 561564686 /nfs/dbraw/zinc/56/46/86/561564686.db2.gz ILJYUFLBKKGMHR-UHFFFAOYSA-N 1 0 371.441 2.107 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525664 552492666 /nfs/dbraw/zinc/49/26/66/552492666.db2.gz GSNOWMIZXNCYNQ-ZIAGYGMSSA-N 1 0 361.446 2.180 20 5 FEBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290735375 552528552 /nfs/dbraw/zinc/52/85/52/552528552.db2.gz GLQNHHNHIMVSCF-UHFFFAOYSA-N 1 0 371.441 2.437 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000292958981 552774997 /nfs/dbraw/zinc/77/49/97/552774997.db2.gz FNSZXMNGDOZCTD-KRWDZBQOSA-N 1 0 365.430 2.319 20 5 FEBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000292978158 552776846 /nfs/dbraw/zinc/77/68/46/552776846.db2.gz HCCPELUOXAKFAZ-RDJZCZTQSA-N 1 0 352.431 2.111 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000293696761 552847974 /nfs/dbraw/zinc/84/79/74/552847974.db2.gz MECBZJCLZJUFFW-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO COc1cc(OCC(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293962840 552871239 /nfs/dbraw/zinc/87/12/39/552871239.db2.gz PXYPNQKZKONVJW-UHFFFAOYSA-N 1 0 365.430 2.365 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000294024225 552876313 /nfs/dbraw/zinc/87/63/13/552876313.db2.gz ZNSRXHITDHAKMX-JKSUJKDBSA-N 1 0 358.398 2.011 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000294884182 552941290 /nfs/dbraw/zinc/94/12/90/552941290.db2.gz QIWFISJAJDJTMU-LBPRGKRZSA-N 1 0 351.403 2.264 20 5 FEBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295149340 552963752 /nfs/dbraw/zinc/96/37/52/552963752.db2.gz PLGRSQOYIMSTDU-INIZCTEOSA-N 1 0 365.430 2.031 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000295294415 552982761 /nfs/dbraw/zinc/98/27/61/552982761.db2.gz JQSWDLNYNHVAEH-AGUYFDCRSA-N 1 0 353.444 2.115 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@@H+](C2CC2)C1 ZINC000295367260 552994852 /nfs/dbraw/zinc/99/48/52/552994852.db2.gz ONOPFUBMLMNXRQ-LBPRGKRZSA-N 1 0 364.421 2.356 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000295420732 553003983 /nfs/dbraw/zinc/00/39/83/553003983.db2.gz UZSZYIOKRHHLDM-YOGCLGLASA-N 1 0 373.862 2.460 20 5 FEBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295482911 553014404 /nfs/dbraw/zinc/01/44/04/553014404.db2.gz ODTHMIJJWIKPJG-ZIAGYGMSSA-N 1 0 367.471 2.038 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000295784163 553058672 /nfs/dbraw/zinc/05/86/72/553058672.db2.gz JLYKUOUVHNKENF-GFCCVEGCSA-N 1 0 351.378 2.300 20 5 FEBDRO Nc1ncccc1C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000295875666 553070485 /nfs/dbraw/zinc/07/04/85/553070485.db2.gz ZKAICIGQAFARGS-UHFFFAOYSA-N 1 0 367.413 2.161 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296380879 553150803 /nfs/dbraw/zinc/15/08/03/553150803.db2.gz TUDIZUQLQFTVJD-JCURWCKSSA-N 1 0 363.414 2.335 20 5 FEBDRO Cc1cc(F)c(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000296557870 553179205 /nfs/dbraw/zinc/17/92/05/553179205.db2.gz NMHLPBFNRUIJOG-GFCCVEGCSA-N 1 0 368.409 2.073 20 5 FEBDRO CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000296608836 553186868 /nfs/dbraw/zinc/18/68/68/553186868.db2.gz SBLQWFROMIFRIQ-OAHLLOKOSA-N 1 0 351.403 2.320 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000297771207 553336557 /nfs/dbraw/zinc/33/65/57/553336557.db2.gz GACHNOOSRSFOIG-UHFFFAOYSA-N 1 0 362.430 2.224 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298056409 553378286 /nfs/dbraw/zinc/37/82/86/553378286.db2.gz IIPLAEDLCCRMCS-JTQLQIEISA-N 1 0 356.810 2.033 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000298065173 553379443 /nfs/dbraw/zinc/37/94/43/553379443.db2.gz JCWYGHPMSATLDC-INIZCTEOSA-N 1 0 374.441 2.319 20 5 FEBDRO C[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+](C2CC2)C1 ZINC000298218580 553399507 /nfs/dbraw/zinc/39/95/07/553399507.db2.gz HBQLFCQKDYVXSQ-LBPRGKRZSA-N 1 0 372.429 2.097 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503527212 561643751 /nfs/dbraw/zinc/64/37/51/561643751.db2.gz WXBUQVYBJQQMFF-ZYHUDNBSSA-N 1 0 359.329 2.292 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000298656952 553455388 /nfs/dbraw/zinc/45/53/88/553455388.db2.gz XUXRVERAPLWSTK-JOCQHMNTSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000299374866 553554814 /nfs/dbraw/zinc/55/48/14/553554814.db2.gz SDMUGGUBLRVRAJ-KBPBESRZSA-N 1 0 362.430 2.139 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299484323 553569936 /nfs/dbraw/zinc/56/99/36/553569936.db2.gz ZQVJYGFYQZVTOR-CYBMUJFWSA-N 1 0 350.419 2.078 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000299505262 553572952 /nfs/dbraw/zinc/57/29/52/553572952.db2.gz BVERXEXAOPFLQS-OLZOCXBDSA-N 1 0 351.403 2.167 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000299729709 553608733 /nfs/dbraw/zinc/60/87/33/553608733.db2.gz WLSUFUIENZJADC-OCCSQVGLSA-N 1 0 351.403 2.167 20 5 FEBDRO C[NH+](C)CCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000301055771 553617648 /nfs/dbraw/zinc/61/76/48/553617648.db2.gz IAMMELAQWUBVNL-UHFFFAOYSA-N 1 0 364.427 2.369 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000301351987 553644411 /nfs/dbraw/zinc/64/44/11/553644411.db2.gz MXHYDJALZGGYCR-CQSZACIVSA-N 1 0 366.437 2.349 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690821 553672418 /nfs/dbraw/zinc/67/24/18/553672418.db2.gz NOLXVKSOXMQJCR-NSHDSACASA-N 1 0 359.224 2.275 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301803555 553680891 /nfs/dbraw/zinc/68/08/91/553680891.db2.gz UXTRTFPZFQHFHA-ZDUSSCGKSA-N 1 0 354.401 2.479 20 5 FEBDRO CCc1cc(N2CC[N@H+](CCO)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302452645 553717248 /nfs/dbraw/zinc/71/72/48/553717248.db2.gz SNANYPRMKBOIGT-CQSZACIVSA-N 1 0 371.441 2.117 20 5 FEBDRO Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302506778 553719098 /nfs/dbraw/zinc/71/90/98/553719098.db2.gz DZLYZLBKELCKTC-UHFFFAOYSA-N 1 0 371.441 2.253 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000326641400 553782671 /nfs/dbraw/zinc/78/26/71/553782671.db2.gz UMTLQUWLHQREEM-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO CN(C)S(=O)(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000327953473 553792271 /nfs/dbraw/zinc/79/22/71/553792271.db2.gz SYWATEQZTBKBLO-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[NH+](C)C)cc1 ZINC000506029754 561687560 /nfs/dbraw/zinc/68/75/60/561687560.db2.gz DLQHSDRHZFJCFR-INIZCTEOSA-N 1 0 357.414 2.366 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000331099935 554212769 /nfs/dbraw/zinc/21/27/69/554212769.db2.gz OAPZKCZASILAAD-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331954525 554351753 /nfs/dbraw/zinc/35/17/53/554351753.db2.gz TURKYNMQALGJDW-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000332076798 554374999 /nfs/dbraw/zinc/37/49/99/554374999.db2.gz GMUZMSHJIKDFLT-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000510541696 561838218 /nfs/dbraw/zinc/83/82/18/561838218.db2.gz TVCRGQUHQZHJBQ-KDOFPFPSSA-N 1 0 359.430 2.297 20 5 FEBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000510555704 561838575 /nfs/dbraw/zinc/83/85/75/561838575.db2.gz WJOXSYOOLNCGPC-BLLLJJGKSA-N 1 0 358.398 2.425 20 5 FEBDRO Cn1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511022499 561854089 /nfs/dbraw/zinc/85/40/89/561854089.db2.gz QAPRGIGPCRSAAG-UHFFFAOYSA-N 1 0 371.441 2.409 20 5 FEBDRO O=[N+]([O-])c1cc(-c2noc(C34CCC[NH+]3CCC4)n2)ccc1-n1cncn1 ZINC000351272402 554848956 /nfs/dbraw/zinc/84/89/56/554848956.db2.gz NWOUGSZBXWVBDC-UHFFFAOYSA-N 1 0 367.369 2.310 20 5 FEBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000360324616 554871075 /nfs/dbraw/zinc/87/10/75/554871075.db2.gz WVXKPWWRUZFJEW-HOCLYGCPSA-N 1 0 360.414 2.214 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425427 561868860 /nfs/dbraw/zinc/86/88/60/561868860.db2.gz LYBOXVXKLCKFOQ-DZGCQCFKSA-N 1 0 357.414 2.202 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000360828546 554891558 /nfs/dbraw/zinc/89/15/58/554891558.db2.gz JBNVMTCAPXRCIC-UHFFFAOYSA-N 1 0 372.425 2.327 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000361012266 554900097 /nfs/dbraw/zinc/90/00/97/554900097.db2.gz MINIMPVRXVIFAS-NCNPBXTDSA-N 1 0 363.414 2.025 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362022770 554944931 /nfs/dbraw/zinc/94/49/31/554944931.db2.gz MSFKEDDPYMYREX-BXUZGUMPSA-N 1 0 373.862 2.271 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(N3CCOCC3)CCCOC2)ccc1Cl ZINC000362216865 554956204 /nfs/dbraw/zinc/95/62/04/554956204.db2.gz GVGNCIYBRLCIGO-QGZVFWFLSA-N 1 0 369.849 2.219 20 5 FEBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362253543 554958300 /nfs/dbraw/zinc/95/83/00/554958300.db2.gz FGVWAXBDMDTYNG-QGZVFWFLSA-N 1 0 350.438 2.334 20 5 FEBDRO CC(C)NC(=O)CN1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000362961836 555003046 /nfs/dbraw/zinc/00/30/46/555003046.db2.gz LLFDOSKGGVLQOK-UHFFFAOYSA-N 1 0 371.441 2.180 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363042830 555017084 /nfs/dbraw/zinc/01/70/84/555017084.db2.gz QCKSTRGQMRVYMV-AWEZNQCLSA-N 1 0 360.414 2.280 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000363122490 555035432 /nfs/dbraw/zinc/03/54/32/555035432.db2.gz OXWUJWSEBWXQEF-HNNXBMFYSA-N 1 0 362.430 2.102 20 5 FEBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000363145916 555040000 /nfs/dbraw/zinc/04/00/00/555040000.db2.gz UDNRWCIUBGZKMV-TZMCWYRMSA-N 1 0 366.487 2.063 20 5 FEBDRO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280870 555070295 /nfs/dbraw/zinc/07/02/95/555070295.db2.gz SKLGODHVPJTRLL-CQSZACIVSA-N 1 0 357.414 2.227 20 5 FEBDRO O=C(NC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1)c1ccc[nH]1 ZINC000363379659 555090067 /nfs/dbraw/zinc/09/00/67/555090067.db2.gz USBPXAOHQDEGHT-UHFFFAOYSA-N 1 0 358.398 2.196 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000363732847 555174708 /nfs/dbraw/zinc/17/47/08/555174708.db2.gz DEHRGDDBHWNBPK-JKSUJKDBSA-N 1 0 359.357 2.309 20 5 FEBDRO COc1cc(CN2CCC[N@@H+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000364078629 555245937 /nfs/dbraw/zinc/24/59/37/555245937.db2.gz HXJZXKIIZYFYFE-UHFFFAOYSA-N 1 0 367.421 2.429 20 5 FEBDRO C[C@H]1C[NH+](CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229616 555274529 /nfs/dbraw/zinc/27/45/29/555274529.db2.gz NSYODBQLBYBQIH-GJZGRUSLSA-N 1 0 365.478 2.040 20 5 FEBDRO CCc1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000364319674 555290383 /nfs/dbraw/zinc/29/03/83/555290383.db2.gz MHONTWGRDVOTBW-KRWDZBQOSA-N 1 0 360.458 2.009 20 5 FEBDRO Cc1c([C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])cnn1C ZINC000364646624 555361731 /nfs/dbraw/zinc/36/17/31/555361731.db2.gz MZQREUNQLKNRND-GDBMZVCRSA-N 1 0 360.414 2.214 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000512481720 561907044 /nfs/dbraw/zinc/90/70/44/561907044.db2.gz XKGHPTBBIMCOLY-UHFFFAOYSA-N 1 0 364.446 2.350 20 5 FEBDRO C[NH+](C)CCN1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364740166 555390671 /nfs/dbraw/zinc/39/06/71/555390671.db2.gz BSEUNUXQZSVJPS-UHFFFAOYSA-N 1 0 358.389 2.270 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512798644 561915924 /nfs/dbraw/zinc/91/59/24/561915924.db2.gz XYQDCSUNFPUPPF-LLVKDONJSA-N 1 0 373.356 2.493 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000365082273 555480981 /nfs/dbraw/zinc/48/09/81/555480981.db2.gz JQCICRUBYDFAMT-CHWSQXEVSA-N 1 0 373.413 2.040 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187257 555505808 /nfs/dbraw/zinc/50/58/08/555505808.db2.gz RGOINJBKBULRAH-VXGBXAGGSA-N 1 0 354.794 2.233 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000513007920 561922386 /nfs/dbraw/zinc/92/23/86/561922386.db2.gz YNOXCGWQPXGYKI-OOXMNIKJSA-N 1 0 367.471 2.402 20 5 FEBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000513026663 561922934 /nfs/dbraw/zinc/92/29/34/561922934.db2.gz DXJZUBXNUXODQD-UYWPIULCSA-N 1 0 359.348 2.461 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365333647 555545702 /nfs/dbraw/zinc/54/57/02/555545702.db2.gz YKWPLCSBYHXXJI-YGRLFVJLSA-N 1 0 368.231 2.110 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365356877 555552447 /nfs/dbraw/zinc/55/24/47/555552447.db2.gz MHCDXZFFPJBENZ-MAUKXSAKSA-N 1 0 361.445 2.365 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000365549703 555605855 /nfs/dbraw/zinc/60/58/55/555605855.db2.gz HROWPYNWBLUJER-BPUTZDHNSA-N 1 0 365.455 2.008 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555974 555607982 /nfs/dbraw/zinc/60/79/82/555607982.db2.gz WWXUNODSELMVBR-RCBQFDQVSA-N 1 0 374.397 2.368 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000365652149 555632798 /nfs/dbraw/zinc/63/27/98/555632798.db2.gz YWNKDHBUKSAIGG-MRXNPFEDSA-N 1 0 360.458 2.003 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513419578 561937643 /nfs/dbraw/zinc/93/76/43/561937643.db2.gz IPCKIWKSKLZIIU-ZFWWWQNUSA-N 1 0 357.414 2.443 20 5 FEBDRO C[NH+]1CCC(n2ccc(=NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[nH]2)CC1 ZINC000365842942 555681069 /nfs/dbraw/zinc/68/10/69/555681069.db2.gz CMWQRXPLBVRXCP-QPJJXVBHSA-N 1 0 355.398 2.710 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1SC ZINC000366555344 555874787 /nfs/dbraw/zinc/87/47/87/555874787.db2.gz MPHODHUNLQAPDV-CQSZACIVSA-N 1 0 351.428 2.197 20 5 FEBDRO Cc1cc(OCC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366584793 555883137 /nfs/dbraw/zinc/88/31/37/555883137.db2.gz SYUGYPJNVBWWJN-LESCRADOSA-N 1 0 359.426 2.225 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)co2)cc1 ZINC000366898185 555963589 /nfs/dbraw/zinc/96/35/89/555963589.db2.gz ZZSITKUQSYBVHL-MSOLQXFVSA-N 1 0 372.425 2.281 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000367593825 556092439 /nfs/dbraw/zinc/09/24/39/556092439.db2.gz MTPRGYRWONIDON-QZTJIDSGSA-N 1 0 369.421 2.408 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000367594810 556092518 /nfs/dbraw/zinc/09/25/18/556092518.db2.gz SZTAHRHKYIZYCY-DOTOQJQBSA-N 1 0 370.409 2.061 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ncccc2C1 ZINC000367860516 556157657 /nfs/dbraw/zinc/15/76/57/556157657.db2.gz UUVGMSNHIXMUPA-UHFFFAOYSA-N 1 0 356.382 2.385 20 5 FEBDRO CC(C)Oc1nc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000515074207 561995392 /nfs/dbraw/zinc/99/53/92/561995392.db2.gz VILNXPWTCXHYTI-CQSZACIVSA-N 1 0 364.446 2.467 20 5 FEBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368101603 556219233 /nfs/dbraw/zinc/21/92/33/556219233.db2.gz ZVHVAOVONIXBRU-NVBFEUDRSA-N 1 0 351.353 2.429 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000515115439 561996891 /nfs/dbraw/zinc/99/68/91/561996891.db2.gz MKJLCZZVFKQCQE-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO Cn1ccnc1[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000515166684 561998862 /nfs/dbraw/zinc/99/88/62/561998862.db2.gz ZSCKUZORMDLIEM-XJKSGUPXSA-N 1 0 373.413 2.167 20 5 FEBDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)nn1 ZINC000368346978 556283431 /nfs/dbraw/zinc/28/34/31/556283431.db2.gz IMICEYAICIJACV-OAHLLOKOSA-N 1 0 359.386 2.118 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000515209191 562000622 /nfs/dbraw/zinc/00/06/22/562000622.db2.gz UTZPNVBVKWTICI-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368998 556289808 /nfs/dbraw/zinc/28/98/08/556289808.db2.gz GJPYICXUZZMAAF-CZUORRHYSA-N 1 0 370.409 2.397 20 5 FEBDRO COc1ccc(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000368814393 556420900 /nfs/dbraw/zinc/42/09/00/556420900.db2.gz RQTWBSRBHBHJIX-CYBMUJFWSA-N 1 0 363.414 2.433 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC12CCSCC2 ZINC000515638156 562017860 /nfs/dbraw/zinc/01/78/60/562017860.db2.gz TXOAJNWHIVAJLY-ZIAGYGMSSA-N 1 0 352.456 2.457 20 5 FEBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958970 556459716 /nfs/dbraw/zinc/45/97/16/556459716.db2.gz PUCMFVCPHSBJTH-OWQGQXMQSA-N 1 0 369.425 2.081 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000515736657 562020779 /nfs/dbraw/zinc/02/07/79/562020779.db2.gz OQDQQRGGBCZHIS-KGLIPLIRSA-N 1 0 355.460 2.444 20 5 FEBDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000369052041 556490228 /nfs/dbraw/zinc/49/02/28/556490228.db2.gz RRRGALBEAUFVJI-CQSZACIVSA-N 1 0 371.441 2.282 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369069121 556496423 /nfs/dbraw/zinc/49/64/23/556496423.db2.gz YNUGSHBSLORNTA-OAHLLOKOSA-N 1 0 374.441 2.222 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369172499 556524616 /nfs/dbraw/zinc/52/46/16/556524616.db2.gz BCONSJFOLYFDSI-UHFFFAOYSA-N 1 0 367.471 2.232 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374243 556584005 /nfs/dbraw/zinc/58/40/05/556584005.db2.gz IIBCEHMCFMIEHX-KDOFPFPSSA-N 1 0 363.414 2.112 20 5 FEBDRO O=C1[C@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000369582489 556638183 /nfs/dbraw/zinc/63/81/83/556638183.db2.gz BNIJZFKZIOSGAQ-QZTJIDSGSA-N 1 0 358.442 2.260 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000370083595 556776499 /nfs/dbraw/zinc/77/64/99/556776499.db2.gz RLDPLKQSQSHMBF-HZPDHXFCSA-N 1 0 360.458 2.001 20 5 FEBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000516679345 562054135 /nfs/dbraw/zinc/05/41/35/562054135.db2.gz QIJATOFKKHVSTR-UKRRQHHQSA-N 1 0 365.455 2.289 20 5 FEBDRO COC(=O)[C@H]1C[C@H](OC)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000370349427 556847029 /nfs/dbraw/zinc/84/70/29/556847029.db2.gz QIWJGXBCEJUAGO-HZPDHXFCSA-N 1 0 352.387 2.016 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000370632348 556925964 /nfs/dbraw/zinc/92/59/64/556925964.db2.gz ZRKBUJSNTZFVGO-HUUCEWRRSA-N 1 0 373.862 2.449 20 5 FEBDRO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@@H+]2C)cn1 ZINC000370904076 557009585 /nfs/dbraw/zinc/00/95/85/557009585.db2.gz HITNXGTWHUTWOT-DYVFJYSZSA-N 1 0 357.414 2.141 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915701 557013955 /nfs/dbraw/zinc/01/39/55/557013955.db2.gz DCFXDMZCGSLTNN-KSSFIOAISA-N 1 0 371.441 2.450 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000371052483 557059105 /nfs/dbraw/zinc/05/91/05/557059105.db2.gz ILFAGLKDPXQEMM-COXVUDFISA-N 1 0 368.393 2.070 20 5 FEBDRO COCc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517616856 562093959 /nfs/dbraw/zinc/09/39/59/562093959.db2.gz PLSQEQBFLJYHAH-UHFFFAOYSA-N 1 0 364.423 2.305 20 5 FEBDRO COc1ccc(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000518378551 562110054 /nfs/dbraw/zinc/11/00/54/562110054.db2.gz YQEAEWOUPJVDNT-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000371899905 557324058 /nfs/dbraw/zinc/32/40/58/557324058.db2.gz SJLKNCIPODGAMV-UHFFFAOYSA-N 1 0 369.425 2.229 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000371911711 557326694 /nfs/dbraw/zinc/32/66/94/557326694.db2.gz OZWRCJWFWWCMEB-HOTGVXAUSA-N 1 0 362.430 2.356 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372157253 557394867 /nfs/dbraw/zinc/39/48/67/557394867.db2.gz RKIIKPKCQNPLNN-BFHYXJOUSA-N 1 0 363.414 2.289 20 5 FEBDRO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286407 557430393 /nfs/dbraw/zinc/43/03/93/557430393.db2.gz ANZXENKUPKBPQE-AEFFLSMTSA-N 1 0 374.441 2.485 20 5 FEBDRO C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372353856 557448662 /nfs/dbraw/zinc/44/86/62/557448662.db2.gz BCXCKQPCZKBTBA-VQIMIIECSA-N 1 0 374.485 2.012 20 5 FEBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000372543533 557498664 /nfs/dbraw/zinc/49/86/64/557498664.db2.gz FAAGCDCHHFTNLC-BTTYYORXSA-N 1 0 365.434 2.311 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000373781416 557757830 /nfs/dbraw/zinc/75/78/30/557757830.db2.gz HTICYCYPIVUIGS-GOSISDBHSA-N 1 0 362.474 2.205 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000373781417 557757933 /nfs/dbraw/zinc/75/79/33/557757933.db2.gz HTICYCYPIVUIGS-SFHVURJKSA-N 1 0 362.474 2.205 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CCO1 ZINC000373832996 557769118 /nfs/dbraw/zinc/76/91/18/557769118.db2.gz XHBIWOYNBOPVHR-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CCO1 ZINC000373832998 557769308 /nfs/dbraw/zinc/76/93/08/557769308.db2.gz XHBIWOYNBOPVHR-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO COc1ccc(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000520769781 562163302 /nfs/dbraw/zinc/16/33/02/562163302.db2.gz JFRALQYUSSXELK-UHFFFAOYSA-N 1 0 365.430 2.223 20 5 FEBDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)n1 ZINC000374529458 557895791 /nfs/dbraw/zinc/89/57/91/557895791.db2.gz JBVLPQDQJVDKFM-CYBMUJFWSA-N 1 0 361.402 2.302 20 5 FEBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000374598495 557904915 /nfs/dbraw/zinc/90/49/15/557904915.db2.gz ZGRFQVULWLIWAL-VCTAVGKDSA-N 1 0 356.382 2.048 20 5 FEBDRO Cc1cccc(OC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n1 ZINC000374657859 557912771 /nfs/dbraw/zinc/91/27/71/557912771.db2.gz ACQTUABSDUFBPA-UHFFFAOYSA-N 1 0 358.398 2.003 20 5 FEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374906013 557948996 /nfs/dbraw/zinc/94/89/96/557948996.db2.gz BLPWOBDBDUYRHX-WMLDXEAASA-N 1 0 350.438 2.192 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000374907946 557949281 /nfs/dbraw/zinc/94/92/81/557949281.db2.gz DFWANLANCNUEBB-RDJZCZTQSA-N 1 0 358.373 2.313 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000375047467 557969335 /nfs/dbraw/zinc/96/93/35/557969335.db2.gz DIXWBSLIXUWMIN-GOEBONIOSA-N 1 0 370.409 2.061 20 5 FEBDRO COc1ccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000375260332 558000099 /nfs/dbraw/zinc/00/00/99/558000099.db2.gz MCNWUXMBNMKYSB-UHFFFAOYSA-N 1 0 357.414 2.494 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375616551 558057761 /nfs/dbraw/zinc/05/77/61/558057761.db2.gz CFRXNKVMGCLCCW-SFHVURJKSA-N 1 0 363.414 2.113 20 5 FEBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375928012 558101016 /nfs/dbraw/zinc/10/10/16/558101016.db2.gz PHGDTAGDJSBIDR-KRWDZBQOSA-N 1 0 357.414 2.019 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000375931309 558101844 /nfs/dbraw/zinc/10/18/44/558101844.db2.gz KQCMJLOBDORJBN-UONOGXRCSA-N 1 0 365.455 2.047 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376345284 558160804 /nfs/dbraw/zinc/16/08/04/558160804.db2.gz ZQQSBPJLORJOQB-KBPBESRZSA-N 1 0 353.444 2.151 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000521689770 562182252 /nfs/dbraw/zinc/18/22/52/562182252.db2.gz HKVJDTDIYOKIOW-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO COc1ccc(S(=O)(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000521688843 562182342 /nfs/dbraw/zinc/18/23/42/562182342.db2.gz DWCIHYNJUIMLDB-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000377168177 558280300 /nfs/dbraw/zinc/28/03/00/558280300.db2.gz JPKCRNMXXGKTRW-JQFCIGGWSA-N 1 0 374.441 2.350 20 5 FEBDRO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512637 558354910 /nfs/dbraw/zinc/35/49/10/558354910.db2.gz OKZCEMHJMZAPDH-ZWXLGZMVSA-N 1 0 361.398 2.056 20 5 FEBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C(C)(C)C ZINC000522517202 562199389 /nfs/dbraw/zinc/19/93/89/562199389.db2.gz RMHBOBOCUGBLHF-HNNXBMFYSA-N 1 0 365.430 2.462 20 5 FEBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415535 /nfs/dbraw/zinc/41/55/35/558415535.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 1 0 355.442 2.245 20 5 FEBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862799 558437222 /nfs/dbraw/zinc/43/72/22/558437222.db2.gz ZEDZJFPIJLSEGV-QWRGUYRKSA-N 1 0 354.794 2.233 20 5 FEBDRO COc1cc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000378086383 558477326 /nfs/dbraw/zinc/47/73/26/558477326.db2.gz JLZPDDQYGCAQNT-AWEZNQCLSA-N 1 0 366.437 2.206 20 5 FEBDRO CCc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000378227594 558506462 /nfs/dbraw/zinc/50/64/62/558506462.db2.gz ORUGAUHOGPDHLF-LZLYRXPVSA-N 1 0 361.442 2.481 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1c1ncc[nH]1 ZINC000378522646 558574576 /nfs/dbraw/zinc/57/45/76/558574576.db2.gz YANOAFLZWAWLNV-HNNXBMFYSA-N 1 0 352.354 2.481 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000397275865 558624327 /nfs/dbraw/zinc/62/43/27/558624327.db2.gz PTHIWNDZLJWXJA-GMTAPVOTSA-N 1 0 361.851 2.242 20 5 FEBDRO CCc1nn(C)c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000397502903 558624502 /nfs/dbraw/zinc/62/45/02/558624502.db2.gz BGHNRFSNVGQHRB-UHFFFAOYSA-N 1 0 373.457 2.330 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000524394046 562227834 /nfs/dbraw/zinc/22/78/34/562227834.db2.gz YDULSCSIXLGKKT-UHFFFAOYSA-N 1 0 350.419 2.229 20 5 FEBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000409711007 558715631 /nfs/dbraw/zinc/71/56/31/558715631.db2.gz JFUDCZJJAQPBFT-CYBMUJFWSA-N 1 0 355.822 2.071 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524720340 562233114 /nfs/dbraw/zinc/23/31/14/562233114.db2.gz LIDSKZHNRLNUON-SNVBAGLBSA-N 1 0 373.356 2.276 20 5 FEBDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524775498 562234441 /nfs/dbraw/zinc/23/44/41/562234441.db2.gz YZQLFNOZFIZERV-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000410853788 558817171 /nfs/dbraw/zinc/81/71/71/558817171.db2.gz KNPPOXSRNSXCCE-KBPBESRZSA-N 1 0 357.414 2.335 20 5 FEBDRO COc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501283 562249429 /nfs/dbraw/zinc/24/94/29/562249429.db2.gz VQIBJVAKBQNQTK-GXTWGEPZSA-N 1 0 363.414 2.311 20 5 FEBDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411559576 558917482 /nfs/dbraw/zinc/91/74/82/558917482.db2.gz IOCHNUACVRHLGQ-LBPRGKRZSA-N 1 0 350.419 2.158 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411620818 558930571 /nfs/dbraw/zinc/93/05/71/558930571.db2.gz ZBGXIGTVVPBCSY-CLLJXQQHSA-N 1 0 351.403 2.166 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000411659162 558937707 /nfs/dbraw/zinc/93/77/07/558937707.db2.gz YDQXWQVSHCUYLC-CZUORRHYSA-N 1 0 351.403 2.049 20 5 FEBDRO O=C(CC[N@@H+](CCCO)Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411661107 558938006 /nfs/dbraw/zinc/93/80/06/558938006.db2.gz LTMOYIIPOAXXEP-UHFFFAOYSA-N 1 0 358.398 2.203 20 5 FEBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776840 558960572 /nfs/dbraw/zinc/96/05/72/558960572.db2.gz YFAITWJXSRKYFA-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411907960 558986167 /nfs/dbraw/zinc/98/61/67/558986167.db2.gz CNQGTINLFIMATI-SCTDSRPQSA-N 1 0 358.394 2.142 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000411968988 558997074 /nfs/dbraw/zinc/99/70/74/558997074.db2.gz PHFNFLBIFASFOS-LJQANCHMSA-N 1 0 373.384 2.372 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000411970430 558997429 /nfs/dbraw/zinc/99/74/29/558997429.db2.gz FPHAAEOQXRCECB-CABCVRRESA-N 1 0 373.384 2.443 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975083 558998252 /nfs/dbraw/zinc/99/82/52/558998252.db2.gz UWSPGPNKGYHGLU-GTNSWQLSSA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412029279 559004101 /nfs/dbraw/zinc/00/41/01/559004101.db2.gz YBPMEXASVCWQFJ-LBPRGKRZSA-N 1 0 351.403 2.479 20 5 FEBDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412036673 559004926 /nfs/dbraw/zinc/00/49/26/559004926.db2.gz HGJNIOQJFVIIFF-ZDUSSCGKSA-N 1 0 358.402 2.148 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1F ZINC000413443162 559108305 /nfs/dbraw/zinc/10/83/05/559108305.db2.gz RHVLOUBBHWFYQR-GFCCVEGCSA-N 1 0 355.410 2.378 20 5 FEBDRO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000413633511 559121600 /nfs/dbraw/zinc/12/16/00/559121600.db2.gz FDFVAOBEZFGDIN-CEXWTWQISA-N 1 0 373.453 2.412 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000413709430 559126190 /nfs/dbraw/zinc/12/61/90/559126190.db2.gz GAAYMZNRZIGBCI-GFCCVEGCSA-N 1 0 353.394 2.274 20 5 FEBDRO COc1cc(CNC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414849171 559190695 /nfs/dbraw/zinc/19/06/95/559190695.db2.gz QYCBSCHORLPVAN-LLVKDONJSA-N 1 0 363.336 2.386 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415606331 559254689 /nfs/dbraw/zinc/25/46/89/559254689.db2.gz YOGKRTPXJXXVHZ-ZWNOBZJWSA-N 1 0 364.402 2.138 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000417044791 559345566 /nfs/dbraw/zinc/34/55/66/559345566.db2.gz QOHMLZYBGVTKKX-KBPBESRZSA-N 1 0 350.419 2.130 20 5 FEBDRO C[C@H](NC(=O)N1CCC(OCCC[NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417143772 559349846 /nfs/dbraw/zinc/34/98/46/559349846.db2.gz VCNAFTXDNKHLGB-ZDUSSCGKSA-N 1 0 350.419 2.195 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417168450 559350991 /nfs/dbraw/zinc/35/09/91/559350991.db2.gz ATTGROBYLAHYIG-KRWDZBQOSA-N 1 0 370.409 2.290 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000417181528 559351851 /nfs/dbraw/zinc/35/18/51/559351851.db2.gz HZQPPKXQMRUCPH-JKSUJKDBSA-N 1 0 370.409 2.158 20 5 FEBDRO CS(=O)(=O)N1CC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304427 559356653 /nfs/dbraw/zinc/35/66/53/559356653.db2.gz CDGSPDPVUSSVCZ-DYVFJYSZSA-N 1 0 367.471 2.233 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000417710142 559373553 /nfs/dbraw/zinc/37/35/53/559373553.db2.gz BUBWOOMMGPXKKT-GOSISDBHSA-N 1 0 361.446 2.100 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417719582 559373846 /nfs/dbraw/zinc/37/38/46/559373846.db2.gz QLVRSSXUIUMKRG-LSDHHAIUSA-N 1 0 363.462 2.393 20 5 FEBDRO CO[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000417718199 559373893 /nfs/dbraw/zinc/37/38/93/559373893.db2.gz NXUZJYUMNNZKQS-IAGOWNOFSA-N 1 0 364.446 2.065 20 5 FEBDRO [NH3+]C[C@H](NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000418085241 559389666 /nfs/dbraw/zinc/38/96/66/559389666.db2.gz URSSBPSFMIQJPF-HNNXBMFYSA-N 1 0 360.418 2.178 20 5 FEBDRO [NH3+][C@@H](CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000418405171 559400448 /nfs/dbraw/zinc/40/04/48/559400448.db2.gz AYNWHCYGBFSJON-INIZCTEOSA-N 1 0 356.382 2.199 20 5 FEBDRO COCC1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000418627878 559408570 /nfs/dbraw/zinc/40/85/70/559408570.db2.gz BRMRNQMGUBTBDD-UHFFFAOYSA-N 1 0 364.446 2.145 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000418773999 559415377 /nfs/dbraw/zinc/41/53/77/559415377.db2.gz CPTIYEHMSHPZSR-OLZOCXBDSA-N 1 0 370.409 2.108 20 5 FEBDRO C[NH+](C)C1(CNc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC1 ZINC000419011546 559425366 /nfs/dbraw/zinc/42/53/66/559425366.db2.gz SNSQXPIPMWBLKM-UHFFFAOYSA-N 1 0 363.805 2.300 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000419997941 559468288 /nfs/dbraw/zinc/46/82/88/559468288.db2.gz MECCOPHQVSEWMH-OAQYLSRUSA-N 1 0 367.449 2.114 20 5 FEBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420012309 559468763 /nfs/dbraw/zinc/46/87/63/559468763.db2.gz IYLPZJPFSVLLRN-CQSZACIVSA-N 1 0 363.336 2.046 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420366914 559483401 /nfs/dbraw/zinc/48/34/01/559483401.db2.gz VFJCBWHXAHSZNA-HNNXBMFYSA-N 1 0 350.419 2.039 20 5 FEBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420382991 559484278 /nfs/dbraw/zinc/48/42/78/559484278.db2.gz AVMBKDLPHYWLRO-IVMMDQJWSA-N 1 0 372.400 2.488 20 5 FEBDRO C[C@H](CCC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420446832 559487730 /nfs/dbraw/zinc/48/77/30/559487730.db2.gz UJYMKZAZMKKWLI-MRVPVSSYSA-N 1 0 355.338 2.019 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC000420475528 559489582 /nfs/dbraw/zinc/48/95/82/559489582.db2.gz MPZVQFLEFDTWQO-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO COC1([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000421037158 559521156 /nfs/dbraw/zinc/52/11/56/559521156.db2.gz RLYDAYUHGRPJKW-NSHDSACASA-N 1 0 371.821 2.360 20 5 FEBDRO CCCN1C[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421350526 559539924 /nfs/dbraw/zinc/53/99/24/559539924.db2.gz LBMLMILSMYGRNF-KGLIPLIRSA-N 1 0 362.430 2.160 20 5 FEBDRO CC[NH+]1CCC(N2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422004309 559560019 /nfs/dbraw/zinc/56/00/19/559560019.db2.gz GACUEQWRYVQATO-UHFFFAOYSA-N 1 0 374.485 2.156 20 5 FEBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423449586 559629373 /nfs/dbraw/zinc/62/93/73/559629373.db2.gz GJVHSVYFYWMELP-SCTDSRPQSA-N 1 0 360.458 2.282 20 5 FEBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000423578467 559632933 /nfs/dbraw/zinc/63/29/33/559632933.db2.gz UQKJUMQTGVPKSO-SNVBAGLBSA-N 1 0 357.360 2.299 20 5 FEBDRO COc1cc(C(=O)N2CCNC[C@H]2c2cccnc2)cc([N+](=O)[O-])c1C ZINC000423616300 559634002 /nfs/dbraw/zinc/63/40/02/559634002.db2.gz RRGRYENPSZBJHH-INIZCTEOSA-N 1 0 356.382 2.094 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000423651411 559635124 /nfs/dbraw/zinc/63/51/24/559635124.db2.gz VTEJCWPQACYWME-LRDDRELGSA-N 1 0 357.414 2.018 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000423943544 559647531 /nfs/dbraw/zinc/64/75/31/559647531.db2.gz RDMVFUUTEXWTJW-NSHDSACASA-N 1 0 373.356 2.452 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](C[NH3+])C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000423960956 559648010 /nfs/dbraw/zinc/64/80/10/559648010.db2.gz YXSZIAOAOLWJLP-KRWDZBQOSA-N 1 0 371.441 2.266 20 5 FEBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC000423960766 559648114 /nfs/dbraw/zinc/64/81/14/559648114.db2.gz CSEJEVRTUOHEMP-JKSUJKDBSA-N 1 0 355.394 2.397 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423960209 559648125 /nfs/dbraw/zinc/64/81/25/559648125.db2.gz CLHNWIYDFNFGCG-KBXCAEBGSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423969791 559648386 /nfs/dbraw/zinc/64/83/86/559648386.db2.gz JEYQIELPISCXRE-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C[NH3+] ZINC000423999222 559650118 /nfs/dbraw/zinc/65/01/18/559650118.db2.gz AZTWIAMGMCJMEB-CMPLNLGQSA-N 1 0 370.247 2.343 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425498538 559705843 /nfs/dbraw/zinc/70/58/43/559705843.db2.gz GQMCEFPCKXYXAK-HNNXBMFYSA-N 1 0 358.402 2.160 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427378085 559754427 /nfs/dbraw/zinc/75/44/27/559754427.db2.gz ADKHZMQCXYWLFK-ZBFHGGJFSA-N 1 0 371.441 2.452 20 5 FEBDRO CC(C)(NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429271499 559794467 /nfs/dbraw/zinc/79/44/67/559794467.db2.gz LETGPIYKZGYEJJ-UHFFFAOYSA-N 1 0 360.458 2.163 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC000429314257 559795647 /nfs/dbraw/zinc/79/56/47/559795647.db2.gz YOZDEEBOTBLQIZ-ZDUSSCGKSA-N 1 0 371.393 2.395 20 5 FEBDRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429397188 559797794 /nfs/dbraw/zinc/79/77/94/559797794.db2.gz FBBHRAJXMVLYOW-RCBQFDQVSA-N 1 0 363.414 2.441 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000429568471 559801786 /nfs/dbraw/zinc/80/17/86/559801786.db2.gz OIVJMRSKJMNVHK-BXUZGUMPSA-N 1 0 372.381 2.451 20 5 FEBDRO COC(=O)C[C@](C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000429682081 559803889 /nfs/dbraw/zinc/80/38/89/559803889.db2.gz MNFRLZWDROTQEC-SFHVURJKSA-N 1 0 359.382 2.437 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000429760169 559805068 /nfs/dbraw/zinc/80/50/68/559805068.db2.gz MNDIUXOLDYZSPW-SGMGOOAPSA-N 1 0 351.403 2.071 20 5 FEBDRO O=C(CNc1ncc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000431507668 559840462 /nfs/dbraw/zinc/84/04/62/559840462.db2.gz OFGDIMDTKJPUOL-UHFFFAOYSA-N 1 0 355.826 2.047 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180030 559853508 /nfs/dbraw/zinc/85/35/08/559853508.db2.gz TXRJDOXHQGUFOZ-ZFWWWQNUSA-N 1 0 372.425 2.320 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000432462393 559859333 /nfs/dbraw/zinc/85/93/33/559859333.db2.gz SKDPPKOHBKUPRN-HOCLYGCPSA-N 1 0 370.409 2.265 20 5 FEBDRO COc1cc(CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000435380935 559921950 /nfs/dbraw/zinc/92/19/50/559921950.db2.gz QPVNQMIQNJREQS-NSHDSACASA-N 1 0 363.336 2.468 20 5 FEBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000436262692 559938624 /nfs/dbraw/zinc/93/86/24/559938624.db2.gz RBQNYRXEKNEIKB-BRWVUGGUSA-N 1 0 354.451 2.116 20 5 FEBDRO CC[NH+]1CCN(CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437488333 559965081 /nfs/dbraw/zinc/96/50/81/559965081.db2.gz CSBUYESHRRAVHO-UHFFFAOYSA-N 1 0 360.458 2.113 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000440403546 560010389 /nfs/dbraw/zinc/01/03/89/560010389.db2.gz FIXZNQXUDSBQBP-XCBNKYQSSA-N 1 0 368.242 2.259 20 5 FEBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000440418056 560010732 /nfs/dbraw/zinc/01/07/32/560010732.db2.gz FTJQEIHDEMYAPH-MRVPVSSYSA-N 1 0 368.242 2.132 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000440823430 560019009 /nfs/dbraw/zinc/01/90/09/560019009.db2.gz VLRASYBKMKEEAJ-XLIONFOSSA-N 1 0 372.421 2.148 20 5 FEBDRO C[C@@H](Nc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-])c1ccccn1 ZINC000441626161 560036520 /nfs/dbraw/zinc/03/65/20/560036520.db2.gz XCRUZACBWFVMOR-QWHCGFSZSA-N 1 0 357.414 2.488 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000444604788 560116587 /nfs/dbraw/zinc/11/65/87/560116587.db2.gz BORHRXYUJTUUCD-UHFFFAOYSA-N 1 0 365.430 2.464 20 5 FEBDRO COc1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCOCC2)cc1F ZINC000444802876 560121255 /nfs/dbraw/zinc/12/12/55/560121255.db2.gz FCHKZDQQSSCNKC-UHFFFAOYSA-N 1 0 364.377 2.235 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445140353 560129655 /nfs/dbraw/zinc/12/96/55/560129655.db2.gz SHJTVCAUXUMWGL-ZIAGYGMSSA-N 1 0 370.409 2.430 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445140351 560129694 /nfs/dbraw/zinc/12/96/94/560129694.db2.gz SHJTVCAUXUMWGL-UONOGXRCSA-N 1 0 370.409 2.430 20 5 FEBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(OCCO)cc2)n1 ZINC000447572702 560164691 /nfs/dbraw/zinc/16/46/91/560164691.db2.gz DCWOEIJGFHUEJL-SJORKVTESA-N 1 0 360.414 2.436 20 5 FEBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447812717 560169786 /nfs/dbraw/zinc/16/97/86/560169786.db2.gz SIXWYJHMPVVZMP-HNNXBMFYSA-N 1 0 370.475 2.035 20 5 FEBDRO O=C(NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448594376 560191885 /nfs/dbraw/zinc/19/18/85/560191885.db2.gz AKDRFMKOTNEHBC-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000448957558 560208716 /nfs/dbraw/zinc/20/87/16/560208716.db2.gz WJVPVPZWNQOLNS-KRWDZBQOSA-N 1 0 355.398 2.151 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(c2ccnn2C)C1=O ZINC000449279924 560223435 /nfs/dbraw/zinc/22/34/35/560223435.db2.gz UPCZRQGBEVUQAW-DZGCQCFKSA-N 1 0 357.414 2.045 20 5 FEBDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449443738 560230325 /nfs/dbraw/zinc/23/03/25/560230325.db2.gz VJGWYQGZEHAGCC-NUEKZKHPSA-N 1 0 369.487 2.223 20 5 FEBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449461090 560231214 /nfs/dbraw/zinc/23/12/14/560231214.db2.gz SHGJXKVMRYJOQB-UAGQMJEPSA-N 1 0 360.414 2.059 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493644 560231797 /nfs/dbraw/zinc/23/17/97/560231797.db2.gz FHCWCCFEZFNBHG-SWLSCSKDSA-N 1 0 352.387 2.003 20 5 FEBDRO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493640 560231980 /nfs/dbraw/zinc/23/19/80/560231980.db2.gz FHCWCCFEZFNBHG-DOMZBBRYSA-N 1 0 352.387 2.003 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(F)F ZINC000449612403 560234795 /nfs/dbraw/zinc/23/47/95/560234795.db2.gz LZSWZMCOQCEPSG-CQSZACIVSA-N 1 0 359.376 2.253 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449698537 560237258 /nfs/dbraw/zinc/23/72/58/560237258.db2.gz NYCLKVPRBVWGJF-OAHLLOKOSA-N 1 0 367.471 2.341 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449737206 560238588 /nfs/dbraw/zinc/23/85/88/560238588.db2.gz YLNNMMWOICMIEM-COPLHBTASA-N 1 0 353.806 2.226 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccn(CC(F)(F)F)n3)C2)nc1 ZINC000450573866 560266641 /nfs/dbraw/zinc/26/66/41/560266641.db2.gz YHBLSHHACAWWMD-LLVKDONJSA-N 1 0 370.335 2.435 20 5 FEBDRO CCN(C)C(=O)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000451308668 560299475 /nfs/dbraw/zinc/29/94/75/560299475.db2.gz DFCRTHORKUSDLP-KRWDZBQOSA-N 1 0 364.446 2.324 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@@H+]1C ZINC000451381125 560303557 /nfs/dbraw/zinc/30/35/57/560303557.db2.gz YZCOOIIDJLMRRO-QGZVFWFLSA-N 1 0 357.414 2.397 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c([N+](=O)[O-])c1 ZINC000451489026 560310013 /nfs/dbraw/zinc/31/00/13/560310013.db2.gz JWNXWJZOOYIBOA-VUCTXSBTSA-N 1 0 361.398 2.089 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451558280 560314502 /nfs/dbraw/zinc/31/45/02/560314502.db2.gz FTSWKENTORRKCG-DOMZBBRYSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)cc1C ZINC000452081970 560350028 /nfs/dbraw/zinc/35/00/28/560350028.db2.gz JLUSYXYSTJPFTD-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452136834 560353417 /nfs/dbraw/zinc/35/34/17/560353417.db2.gz YVJHRKOBLMFXLY-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452356742 560359955 /nfs/dbraw/zinc/35/99/55/560359955.db2.gz DERAJSOHLYRKNF-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839438 560375803 /nfs/dbraw/zinc/37/58/03/560375803.db2.gz GHCKTAGJKJWPMC-NVXWUHKLSA-N 1 0 361.442 2.269 20 5 FEBDRO COc1ccc(CNC(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000454302864 560438631 /nfs/dbraw/zinc/43/86/31/560438631.db2.gz OTUUWJPJJCMCLU-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455395668 560480645 /nfs/dbraw/zinc/48/06/45/560480645.db2.gz BRSUHZSMTGIIML-VIFPVBQESA-N 1 0 357.208 2.431 20 5 FEBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456055698 560505721 /nfs/dbraw/zinc/50/57/21/560505721.db2.gz TVXGZIKUWWYWMO-HIFRSBDPSA-N 1 0 369.425 2.424 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457049073 560545660 /nfs/dbraw/zinc/54/56/60/560545660.db2.gz FNLGWHWKLIMPHE-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000457927635 560594631 /nfs/dbraw/zinc/59/46/31/560594631.db2.gz MLNZVKLFXBGEKK-CYBMUJFWSA-N 1 0 350.419 2.135 20 5 FEBDRO Cn1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000458176579 560606940 /nfs/dbraw/zinc/60/69/40/560606940.db2.gz UKXIZBWNYWXSLS-AWEZNQCLSA-N 1 0 371.441 2.457 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458707257 560642420 /nfs/dbraw/zinc/64/24/20/560642420.db2.gz OTXVHOCDGQFTKE-UHFFFAOYSA-N 1 0 362.434 2.391 20 5 FEBDRO COCCNC(=O)C1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000459756301 560706443 /nfs/dbraw/zinc/70/64/43/560706443.db2.gz NYVJQQYWXQQFMB-UHFFFAOYSA-N 1 0 359.382 2.240 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000461095187 560761324 /nfs/dbraw/zinc/76/13/24/560761324.db2.gz BUZAGJDPTJIAHH-GUYCJALGSA-N 1 0 365.430 2.079 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000461903876 560787205 /nfs/dbraw/zinc/78/72/05/560787205.db2.gz VULPKEOJDZPQNC-GXTWGEPZSA-N 1 0 373.862 2.223 20 5 FEBDRO C[C@@H]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000463741916 560822790 /nfs/dbraw/zinc/82/27/90/560822790.db2.gz QOIJOQJWUHIWGA-HZSPNIEDSA-N 1 0 355.460 2.287 20 5 FEBDRO COc1ccc(CSCC(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000466568745 560890169 /nfs/dbraw/zinc/89/01/69/560890169.db2.gz WSKBCFXGMWMOHF-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819983 560896551 /nfs/dbraw/zinc/89/65/51/560896551.db2.gz VGXSBAAZCQKKKE-MLGOLLRUSA-N 1 0 369.425 2.454 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000467072576 560902839 /nfs/dbraw/zinc/90/28/39/560902839.db2.gz BQNLHEJMNZJMSJ-JQWIXIFHSA-N 1 0 361.489 2.458 20 5 FEBDRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000470083330 560973902 /nfs/dbraw/zinc/97/39/02/560973902.db2.gz VEOJBBFMCISBKV-AWEZNQCLSA-N 1 0 365.430 2.224 20 5 FEBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000472423826 561026134 /nfs/dbraw/zinc/02/61/34/561026134.db2.gz FLOUURLSHMVLEA-UHFFFAOYSA-N 1 0 355.822 2.213 20 5 FEBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000475432521 561097047 /nfs/dbraw/zinc/09/70/47/561097047.db2.gz RXGPUEKQZKTPCK-HIFRSBDPSA-N 1 0 362.430 2.160 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000475753410 561104460 /nfs/dbraw/zinc/10/44/60/561104460.db2.gz XWBNEPJUVPAGPH-AEFFLSMTSA-N 1 0 350.415 2.227 20 5 FEBDRO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000530491110 562413462 /nfs/dbraw/zinc/41/34/62/562413462.db2.gz DVORUFBOEQXAAW-INIZCTEOSA-N 1 0 355.460 2.384 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000530916996 562428593 /nfs/dbraw/zinc/42/85/93/562428593.db2.gz VZGOBSMPTIIFSU-UKRRQHHQSA-N 1 0 350.419 2.146 20 5 FEBDRO CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000532134328 562468119 /nfs/dbraw/zinc/46/81/19/562468119.db2.gz FYDAFTKQPSTFGA-UHFFFAOYSA-N 1 0 369.425 2.380 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CCO)CC1 ZINC000532958865 562493877 /nfs/dbraw/zinc/49/38/77/562493877.db2.gz WFKHDCKNLJGBQP-UHFFFAOYSA-N 1 0 351.403 2.026 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982623 562494695 /nfs/dbraw/zinc/49/46/95/562494695.db2.gz YDSVAXCQXBPIIM-MRXNPFEDSA-N 1 0 374.441 2.319 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000533469331 562509975 /nfs/dbraw/zinc/50/99/75/562509975.db2.gz UOPYCOFWARGUPN-PBHICJAKSA-N 1 0 364.446 2.345 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000541282493 562607872 /nfs/dbraw/zinc/60/78/72/562607872.db2.gz QODJWMUUZOVWOY-HRCADAONSA-N 1 0 350.415 2.083 20 5 FEBDRO COc1ccc(OCC[N@H+](C)C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000541314602 562608846 /nfs/dbraw/zinc/60/88/46/562608846.db2.gz GVBUPNPZWSPYEZ-UHFFFAOYSA-N 1 0 365.430 2.361 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N3CC[NH+](C)CC3)nc2)n1 ZINC000541935403 562623845 /nfs/dbraw/zinc/62/38/45/562623845.db2.gz VJHFCTXJCVKLSI-UHFFFAOYSA-N 1 0 356.430 2.366 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000568077120 567845825 /nfs/dbraw/zinc/84/58/25/567845825.db2.gz DWJFBIWOVHUNPP-MRXNPFEDSA-N 1 0 364.373 2.410 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CF)CCOCC3)CC2)cn1 ZINC000602676496 568009048 /nfs/dbraw/zinc/00/90/48/568009048.db2.gz QWVBQPFGJQSKGT-UHFFFAOYSA-N 1 0 352.410 2.315 20 5 FEBDRO COCC[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCOC1 ZINC000569542787 568406706 /nfs/dbraw/zinc/40/67/06/568406706.db2.gz JQEWZLIOSLXSTM-KRWDZBQOSA-N 1 0 351.403 2.017 20 5 FEBDRO COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000569846754 568427728 /nfs/dbraw/zinc/42/77/28/568427728.db2.gz NIQVSFBYTUEJBO-UHFFFAOYSA-N 1 0 364.423 2.209 20 5 FEBDRO Cc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1Br ZINC000570273450 568471446 /nfs/dbraw/zinc/47/14/46/568471446.db2.gz MKNJPRNKASZNJW-CYBMUJFWSA-N 1 0 369.219 2.013 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000570442567 568476646 /nfs/dbraw/zinc/47/66/46/568476646.db2.gz GGKVAHZLBUQNAB-CYBMUJFWSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000556920867 674427953 /nfs/dbraw/zinc/42/79/53/674427953.db2.gz PNPSDNDFPYTEOE-HIFRSBDPSA-N 1 0 355.460 2.368 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557569340 674454384 /nfs/dbraw/zinc/45/43/84/674454384.db2.gz GZGIREYANASATE-ZDUSSCGKSA-N 1 0 350.419 2.761 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000557347177 674446247 /nfs/dbraw/zinc/44/62/47/674446247.db2.gz FTGPHHIRUXSHDE-CVEARBPZSA-N 1 0 367.471 2.452 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000808193196 674446286 /nfs/dbraw/zinc/44/62/86/674446286.db2.gz SRNBMTRIALQDII-CMPLNLGQSA-N 1 0 358.240 2.070 20 5 FEBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825850694 607448567 /nfs/dbraw/zinc/44/85/67/607448567.db2.gz QNRJVOFLNQTJIW-MRXNPFEDSA-N 1 0 353.386 2.490 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc(C3OCCO3)s2)cc1 ZINC000809615079 674500987 /nfs/dbraw/zinc/50/09/87/674500987.db2.gz ZKHFDFKIBVAWCX-UHFFFAOYSA-N 1 0 351.384 2.265 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809809821 674511256 /nfs/dbraw/zinc/51/12/56/674511256.db2.gz AUAIETPFAAOXMN-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+](C)C1CC1 ZINC000809814390 674511643 /nfs/dbraw/zinc/51/16/43/674511643.db2.gz KADQMELTTJNLFZ-MRVPVSSYSA-N 1 0 365.814 2.148 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000810091391 674531155 /nfs/dbraw/zinc/53/11/55/674531155.db2.gz SJMDHGWDRCRRNL-SECBINFHSA-N 1 0 367.830 2.394 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000686 606226284 /nfs/dbraw/zinc/22/62/84/606226284.db2.gz HXBDWLBUNZGEHF-KBPBESRZSA-N 1 0 357.418 2.228 20 5 FEBDRO Cc1sccc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000559249035 674533400 /nfs/dbraw/zinc/53/34/00/674533400.db2.gz BJRZRTCPXNSVPS-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC1CC[NH+](CC2CCCC2)CC1 ZINC000823620808 606703934 /nfs/dbraw/zinc/70/39/34/606703934.db2.gz QNUBWOOSSAYXGW-UHFFFAOYSA-N 1 0 372.433 2.236 20 5 FEBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000810463610 674545718 /nfs/dbraw/zinc/54/57/18/674545718.db2.gz CFMJHCZDRVSDHQ-SNVBAGLBSA-N 1 0 356.810 2.032 20 5 FEBDRO C[C@H]1CCC[N@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820709317 607168678 /nfs/dbraw/zinc/16/86/78/607168678.db2.gz HGUBJNJJWOCCLO-LBPRGKRZSA-N 1 0 360.422 2.094 20 5 FEBDRO O=C(NCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccn[nH]1 ZINC000811488970 674608393 /nfs/dbraw/zinc/60/83/93/674608393.db2.gz RZFUHXVRFZIEBI-UHFFFAOYSA-N 1 0 358.185 2.144 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)Nc1ncc([N+](=O)[O-])cc1Br ZINC000561693097 674691148 /nfs/dbraw/zinc/69/11/48/674691148.db2.gz SPMYBCICLSJAGC-SNVBAGLBSA-N 1 0 361.240 2.257 20 5 FEBDRO CNC(=O)c1ccc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000562237091 674731718 /nfs/dbraw/zinc/73/17/18/674731718.db2.gz SERFCZWRDRRLSX-UHFFFAOYSA-N 1 0 352.460 2.194 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024818 674900733 /nfs/dbraw/zinc/90/07/33/674900733.db2.gz NNLPXXVIQXWERK-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000563529266 674903363 /nfs/dbraw/zinc/90/33/63/674903363.db2.gz WXUCLESCGVBMAJ-CQSZACIVSA-N 1 0 350.346 2.272 20 5 FEBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000563626266 674919405 /nfs/dbraw/zinc/91/94/05/674919405.db2.gz XKBXESGCRIEJES-SECBINFHSA-N 1 0 369.365 2.409 20 5 FEBDRO CSC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000563705085 674930028 /nfs/dbraw/zinc/93/00/28/674930028.db2.gz DCXFMTYOWSYHGN-UHFFFAOYSA-N 1 0 353.444 2.425 20 5 FEBDRO COc1cc(C(=O)N[C@@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000564835312 675066275 /nfs/dbraw/zinc/06/62/75/675066275.db2.gz FUAZDJOKQAONLY-HNNXBMFYSA-N 1 0 361.345 2.308 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000564970307 675083270 /nfs/dbraw/zinc/08/32/70/675083270.db2.gz GOKUOEXEUQHJGR-HNNXBMFYSA-N 1 0 373.862 2.321 20 5 FEBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000064310094 670422548 /nfs/dbraw/zinc/42/25/48/670422548.db2.gz IJEAGMWCMZHXNQ-UHFFFAOYSA-N 1 0 350.375 2.449 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000068443399 670470853 /nfs/dbraw/zinc/47/08/53/670470853.db2.gz XEVMVJYIXROOSC-UHFFFAOYSA-N 1 0 350.375 2.497 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1SC ZINC000570835640 670776011 /nfs/dbraw/zinc/77/60/11/670776011.db2.gz PKUHDJQDNVTHPX-IQMDTDKHSA-N 1 0 353.444 2.442 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000572497331 671009748 /nfs/dbraw/zinc/00/97/48/671009748.db2.gz LDBBUEFWOSVMLQ-UHFFFAOYSA-N 1 0 373.862 2.449 20 5 FEBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000573207722 671095154 /nfs/dbraw/zinc/09/51/54/671095154.db2.gz ILJDYXZFNIOSRL-CQSZACIVSA-N 1 0 367.471 2.437 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000574383633 671233505 /nfs/dbraw/zinc/23/35/05/671233505.db2.gz AAMYBKDWCUMEET-MRXNPFEDSA-N 1 0 350.419 2.180 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000575058985 671295808 /nfs/dbraw/zinc/29/58/08/671295808.db2.gz AXIGAWLNOAAJFC-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000576345649 671362260 /nfs/dbraw/zinc/36/22/60/671362260.db2.gz MOSRUYCBFCNWAC-IUODEOHRSA-N 1 0 362.407 2.480 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000576515089 671373996 /nfs/dbraw/zinc/37/39/96/671373996.db2.gz LAKDZDAEUUKZJZ-QGZVFWFLSA-N 1 0 365.455 2.440 20 5 FEBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)c(F)c1N1CCOCC1 ZINC000576598582 671381120 /nfs/dbraw/zinc/38/11/20/671381120.db2.gz RINUJLFSXGFGLV-UHFFFAOYSA-N 1 0 350.394 2.244 20 5 FEBDRO CC1(C)CC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000577022871 671411315 /nfs/dbraw/zinc/41/13/15/671411315.db2.gz YWWQHCKZORCPAJ-UHFFFAOYSA-N 1 0 369.487 2.267 20 5 FEBDRO CN(CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)S(C)(=O)=O ZINC000608836325 675905319 /nfs/dbraw/zinc/90/53/19/675905319.db2.gz IZELFMHHSMQHAH-UHFFFAOYSA-N 1 0 367.427 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1C ZINC000609352915 675919885 /nfs/dbraw/zinc/91/98/85/675919885.db2.gz IDJBVVRWDKJUSK-HNNXBMFYSA-N 1 0 367.471 2.461 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccccc2F)cc1 ZINC000577675830 671612680 /nfs/dbraw/zinc/61/26/80/671612680.db2.gz HSSYJEBJIJZPOR-UHFFFAOYSA-N 1 0 352.387 2.340 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476781 675923293 /nfs/dbraw/zinc/92/32/93/675923293.db2.gz RBZCVALAXXLCLF-XQQFMLRXSA-N 1 0 351.451 2.367 20 5 FEBDRO CC[NH+]1CCC(CCNc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000579456040 671736852 /nfs/dbraw/zinc/73/68/52/671736852.db2.gz UZJXCBFLPRZTNC-UHFFFAOYSA-N 1 0 350.419 2.619 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000580542310 671816447 /nfs/dbraw/zinc/81/64/47/671816447.db2.gz QMUCSGGTDNWPGM-ZDUSSCGKSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000580902075 671844765 /nfs/dbraw/zinc/84/47/65/671844765.db2.gz GJYWJFSOPIMPQF-LBPRGKRZSA-N 1 0 355.460 2.139 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000610135398 675956196 /nfs/dbraw/zinc/95/61/96/675956196.db2.gz RCWVQNIBOYHXMA-ZIAGYGMSSA-N 1 0 355.460 2.397 20 5 FEBDRO Cn1ccnc1[C@@H]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000582085691 671966482 /nfs/dbraw/zinc/96/64/82/671966482.db2.gz SFQPIRWWZHPEMH-SNVBAGLBSA-N 1 0 350.325 2.165 20 5 FEBDRO CCC[C@H](C)[C@H](CO)[NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000582670095 672023943 /nfs/dbraw/zinc/02/39/43/672023943.db2.gz MUDAZXKUBSWIHE-JSGCOSHPSA-N 1 0 351.403 2.280 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)C1 ZINC000583083145 672062001 /nfs/dbraw/zinc/06/20/01/672062001.db2.gz ZOVHBRILITVYDA-MLGOLLRUSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639279 672124967 /nfs/dbraw/zinc/12/49/67/672124967.db2.gz AIXAUCRMMOSJGJ-OLZOCXBDSA-N 1 0 353.423 2.169 20 5 FEBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000583874386 672134770 /nfs/dbraw/zinc/13/47/70/672134770.db2.gz SCTZYMFNVMJTDY-UHFFFAOYSA-N 1 0 363.336 2.264 20 5 FEBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139388658 672146523 /nfs/dbraw/zinc/14/65/23/672146523.db2.gz KRBKNDSDQFCDJO-ZDUSSCGKSA-N 1 0 355.822 2.431 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1 ZINC000584287178 672173332 /nfs/dbraw/zinc/17/33/32/672173332.db2.gz WLFNFCROXKOHBF-AWEZNQCLSA-N 1 0 368.455 2.307 20 5 FEBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000610720366 675991502 /nfs/dbraw/zinc/99/15/02/675991502.db2.gz HLQMCJTVKOMEKE-AWEZNQCLSA-N 1 0 350.419 2.147 20 5 FEBDRO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000159094120 672277497 /nfs/dbraw/zinc/27/74/97/672277497.db2.gz HLITXDIDASFDAM-UHFFFAOYSA-N 1 0 356.220 2.429 20 5 FEBDRO C[NH+](C)[C@@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175084187 672365322 /nfs/dbraw/zinc/36/53/22/672365322.db2.gz VYYCLOWYLLRZEM-NWDGAFQWSA-N 1 0 361.851 2.399 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000176076448 672372815 /nfs/dbraw/zinc/37/28/15/672372815.db2.gz MZMDXJHGDGTQFP-CYBMUJFWSA-N 1 0 350.375 2.368 20 5 FEBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000176902062 672377814 /nfs/dbraw/zinc/37/78/14/672377814.db2.gz HKKDHQJXECAZBC-CQSZACIVSA-N 1 0 353.394 2.129 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000587983937 672443401 /nfs/dbraw/zinc/44/34/01/672443401.db2.gz UEHASCWCYAWNTP-BXUZGUMPSA-N 1 0 350.419 2.251 20 5 FEBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204932 676024512 /nfs/dbraw/zinc/02/45/12/676024512.db2.gz BUCLDBPVDICVHY-CHWSQXEVSA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1ccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000589191214 672512589 /nfs/dbraw/zinc/51/25/89/672512589.db2.gz XUOFOTWISMBTSC-UHFFFAOYSA-N 1 0 363.439 2.272 20 5 FEBDRO C[NH+](C)C1CC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000590355531 672574848 /nfs/dbraw/zinc/57/48/48/672574848.db2.gz BMUMJOVUMJHTBR-UHFFFAOYSA-N 1 0 361.320 2.358 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562492 672589743 /nfs/dbraw/zinc/58/97/43/672589743.db2.gz LYRXXSPLDLMLFG-CABCVRRESA-N 1 0 353.806 2.183 20 5 FEBDRO O=[N+]([O-])c1cc(I)ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591439698 672681089 /nfs/dbraw/zinc/68/10/89/672681089.db2.gz XXEFYBRHJMFCMO-MWLCHTKSSA-N 1 0 373.194 2.388 20 5 FEBDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591736058 672706599 /nfs/dbraw/zinc/70/65/99/672706599.db2.gz HQNZUZHSGZJBGT-GASCZTMLSA-N 1 0 369.487 2.221 20 5 FEBDRO CCc1cnc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000591746369 672707589 /nfs/dbraw/zinc/70/75/89/672707589.db2.gz HMCGTMVIIKVUOA-LBPRGKRZSA-N 1 0 351.428 2.186 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC(OC(F)F)CC1 ZINC000591770405 672709814 /nfs/dbraw/zinc/70/98/14/672709814.db2.gz CDBRUWKAIKXQLU-CPCZMJQVSA-N 1 0 360.357 2.475 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000194214195 672752608 /nfs/dbraw/zinc/75/26/08/672752608.db2.gz GPIMMKGEOJBCAF-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000194346712 672757163 /nfs/dbraw/zinc/75/71/63/672757163.db2.gz ZCBGECBOMSRHHF-STQMWFEESA-N 1 0 373.450 2.380 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000194727712 672766688 /nfs/dbraw/zinc/76/66/88/672766688.db2.gz ORPUXEFOKNYBLY-LBPRGKRZSA-N 1 0 359.423 2.133 20 5 FEBDRO C[C@H]1CC2(C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182715 672767949 /nfs/dbraw/zinc/76/79/49/672767949.db2.gz QGCRLLFZNWMLQW-GOEBONIOSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]1CC2(C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182717 672768231 /nfs/dbraw/zinc/76/82/31/672768231.db2.gz QGCRLLFZNWMLQW-ZBFHGGJFSA-N 1 0 350.415 2.226 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)c1C ZINC000592378070 672794498 /nfs/dbraw/zinc/79/44/98/672794498.db2.gz CBLXTTRTLINMJV-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592387409 672796110 /nfs/dbraw/zinc/79/61/10/672796110.db2.gz ZITVPOKWMYKAAW-JTQLQIEISA-N 1 0 367.349 2.034 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H]1SC ZINC000592528852 672811266 /nfs/dbraw/zinc/81/12/66/672811266.db2.gz MEZDHJKICSPBSH-YUELXQCFSA-N 1 0 354.428 2.380 20 5 FEBDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262119063 672909296 /nfs/dbraw/zinc/90/92/96/672909296.db2.gz WDELHRAIHLLQEQ-AWEZNQCLSA-N 1 0 356.220 2.097 20 5 FEBDRO C[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730566 672983978 /nfs/dbraw/zinc/98/39/78/672983978.db2.gz LDROQKMRDCCOMS-CMPLNLGQSA-N 1 0 361.851 2.386 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593911095 673007438 /nfs/dbraw/zinc/00/74/38/673007438.db2.gz CXWJXYMRQNQURR-OBJOEFQTSA-N 1 0 353.444 2.323 20 5 FEBDRO COc1ccc(CSCC(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593919477 673008183 /nfs/dbraw/zinc/00/81/83/673008183.db2.gz STXZHYZPLPOVNU-UHFFFAOYSA-N 1 0 367.471 2.343 20 5 FEBDRO CCC(C)(C)[NH+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000594020979 673021857 /nfs/dbraw/zinc/02/18/57/673021857.db2.gz OPRJQFRGKLVARF-HNNXBMFYSA-N 1 0 351.447 2.141 20 5 FEBDRO Cc1c(Br)cccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594570225 673098946 /nfs/dbraw/zinc/09/89/46/673098946.db2.gz GKKADAUIFAIECR-CYBMUJFWSA-N 1 0 369.219 2.013 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594575971 673101242 /nfs/dbraw/zinc/10/12/42/673101242.db2.gz WFOVOCSPELVYQO-HUUCEWRRSA-N 1 0 350.415 2.416 20 5 FEBDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ncccc1[N+](=O)[O-])CC(C)C ZINC000594761257 673132887 /nfs/dbraw/zinc/13/28/87/673132887.db2.gz UYHAFNGLPXZWHY-CYBMUJFWSA-N 1 0 358.464 2.025 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594788941 673142881 /nfs/dbraw/zinc/14/28/81/673142881.db2.gz IJCBLZJQJPDNPG-AWEZNQCLSA-N 1 0 355.460 2.135 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000595025676 673187120 /nfs/dbraw/zinc/18/71/20/673187120.db2.gz JYUIWQJVFDGFIF-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000595025677 673187212 /nfs/dbraw/zinc/18/72/12/673187212.db2.gz JYUIWQJVFDGFIF-LBPRGKRZSA-N 1 0 356.444 2.469 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000595112959 673195282 /nfs/dbraw/zinc/19/52/82/673195282.db2.gz HDUVMQFIDZZKID-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595113967 673195657 /nfs/dbraw/zinc/19/56/57/673195657.db2.gz RCNMJCJUMANUAY-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000595115944 673195817 /nfs/dbraw/zinc/19/58/17/673195817.db2.gz OCYGISZTSSJDTR-MRXNPFEDSA-N 1 0 367.471 2.136 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1C ZINC000595346990 673229253 /nfs/dbraw/zinc/22/92/53/673229253.db2.gz ZYINIHQHRDPOFC-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1Br ZINC000730807022 673291449 /nfs/dbraw/zinc/29/14/49/673291449.db2.gz MFOXTROJARDSNV-LLVKDONJSA-N 1 0 358.240 2.072 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596078671 673356716 /nfs/dbraw/zinc/35/67/16/673356716.db2.gz XSLXLJKTRWPSQA-CHWSQXEVSA-N 1 0 370.475 2.022 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596097827 673358223 /nfs/dbraw/zinc/35/82/23/673358223.db2.gz GVHWVSFWTTZGSO-CQSZACIVSA-N 1 0 370.475 2.309 20 5 FEBDRO CCOc1cc(NC(=O)N[C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])cc1OCC ZINC000596122048 673361070 /nfs/dbraw/zinc/36/10/70/673361070.db2.gz RHODKVNGTDSGBX-MRXNPFEDSA-N 1 0 352.391 2.266 20 5 FEBDRO COc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596143067 673362797 /nfs/dbraw/zinc/36/27/97/673362797.db2.gz XGMIPMUGEAKJKL-LBPRGKRZSA-N 1 0 355.822 2.415 20 5 FEBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000596165641 673364612 /nfs/dbraw/zinc/36/46/12/673364612.db2.gz MCVUUMYNLPEPDX-HIFRSBDPSA-N 1 0 354.838 2.245 20 5 FEBDRO CC(C)[NH2+]C1(CO)CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000596250582 673371704 /nfs/dbraw/zinc/37/17/04/673371704.db2.gz GIJOGACEKVXFTO-UHFFFAOYSA-N 1 0 352.435 2.106 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597100206 673447770 /nfs/dbraw/zinc/44/77/70/673447770.db2.gz GPMFHBSUUZPTJV-NOZJJQNGSA-N 1 0 353.810 2.388 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000541647492 673554585 /nfs/dbraw/zinc/55/45/85/673554585.db2.gz RSOGLPYGSSAAOK-OLZOCXBDSA-N 1 0 351.403 2.337 20 5 FEBDRO CSc1cccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598541185 673580775 /nfs/dbraw/zinc/58/07/75/673580775.db2.gz UGQUUNIXSDCLKY-ZDUSSCGKSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000598584100 673586586 /nfs/dbraw/zinc/58/65/86/673586586.db2.gz BTOYFVNPHDWHKH-AWEZNQCLSA-N 1 0 361.423 2.290 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1[N+](=O)[O-] ZINC000598714968 673602648 /nfs/dbraw/zinc/60/26/48/673602648.db2.gz LDOICTAXAQMHKB-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(C)c1[N+](=O)[O-] ZINC000598715955 673602938 /nfs/dbraw/zinc/60/29/38/673602938.db2.gz WAZUJDFTHQEZPJ-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000598998390 673627448 /nfs/dbraw/zinc/62/74/48/673627448.db2.gz GNWOUMLRVJNDSW-JJHQXXDFSA-N 1 0 352.387 2.048 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000543673815 673660621 /nfs/dbraw/zinc/66/06/21/673660621.db2.gz CKAWZXDZKWEBEF-OAHLLOKOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000922643424 683760080 /nfs/dbraw/zinc/76/00/80/683760080.db2.gz YDQHAYNXICRMGR-PRHODGIISA-N 1 0 362.167 2.324 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464221 673678724 /nfs/dbraw/zinc/67/87/24/673678724.db2.gz KKPLJDSXRAIINL-INIZCTEOSA-N 1 0 367.471 2.074 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000599626575 673699197 /nfs/dbraw/zinc/69/91/97/673699197.db2.gz RYCNZJUOGHLYOY-VZAVHYRXSA-N 1 0 351.403 2.332 20 5 FEBDRO CC[C@@H]1C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544598004 673719739 /nfs/dbraw/zinc/71/97/39/673719739.db2.gz UBRVPVYHXXPNNZ-UKRRQHHQSA-N 1 0 356.444 2.163 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)CCC[NH+]2CCCC2)c1C ZINC000544598661 673719824 /nfs/dbraw/zinc/71/98/24/673719824.db2.gz HPORSNGSJFWING-UHFFFAOYSA-N 1 0 355.460 2.318 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000600007080 673733641 /nfs/dbraw/zinc/73/36/41/673733641.db2.gz PEMVXADZVYHCPL-UHFFFAOYSA-N 1 0 351.378 2.061 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743393317 673758286 /nfs/dbraw/zinc/75/82/86/673758286.db2.gz NIGKRYRJUDTGJY-LLVKDONJSA-N 1 0 360.256 2.175 20 5 FEBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601039303 673821348 /nfs/dbraw/zinc/82/13/48/673821348.db2.gz IONAJQSPSRDIFU-UHFFFAOYSA-N 1 0 351.378 2.109 20 5 FEBDRO CC1([NH+]2CCCC2)CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000601216872 673833599 /nfs/dbraw/zinc/83/35/99/673833599.db2.gz XTYZIOWQQVUUFP-UHFFFAOYSA-N 1 0 367.471 2.453 20 5 FEBDRO CC[NH+]1CCC(N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000601298198 673839480 /nfs/dbraw/zinc/83/94/80/673839480.db2.gz KEQKNNGIYRTNPM-UHFFFAOYSA-N 1 0 359.423 2.147 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601351446 673846538 /nfs/dbraw/zinc/84/65/38/673846538.db2.gz HIWPTWFLFNWLJR-PWSUYJOCSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000601354476 673846934 /nfs/dbraw/zinc/84/69/34/673846934.db2.gz PGZDQRILYWUKHK-CYBMUJFWSA-N 1 0 371.434 2.149 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601420559 673859812 /nfs/dbraw/zinc/85/98/12/673859812.db2.gz VJFKOQNDLLRJSE-LLVKDONJSA-N 1 0 373.500 2.460 20 5 FEBDRO CC(C)C(=O)NCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602502680 673907120 /nfs/dbraw/zinc/90/71/20/673907120.db2.gz HVQYNLXAVLEKGT-UHFFFAOYSA-N 1 0 350.238 2.281 20 5 FEBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1(C)C ZINC000602174810 673902900 /nfs/dbraw/zinc/90/29/00/673902900.db2.gz UUHIBPXWNUKHLC-CABCVRRESA-N 1 0 367.471 2.138 20 5 FEBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1(C)C ZINC000602174813 673903197 /nfs/dbraw/zinc/90/31/97/673903197.db2.gz UUHIBPXWNUKHLC-LSDHHAIUSA-N 1 0 367.471 2.138 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000602491461 673906929 /nfs/dbraw/zinc/90/69/29/673906929.db2.gz HMXFUSUFFOMRQR-GXSJLCMTSA-N 1 0 354.204 2.181 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000602511801 673906966 /nfs/dbraw/zinc/90/69/66/673906966.db2.gz RHWVMRJSVRVCHX-DOMZBBRYSA-N 1 0 351.378 2.092 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1c(Br)cccc1[N+](=O)[O-])C(F)(F)F ZINC000602497925 673907129 /nfs/dbraw/zinc/90/71/29/673907129.db2.gz YBAGFPDYQYGVEJ-MRVPVSSYSA-N 1 0 370.125 2.367 20 5 FEBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528007 673907252 /nfs/dbraw/zinc/90/72/52/673907252.db2.gz AHMAVMWNDPGRCC-QMTHXVAHSA-N 1 0 353.806 2.416 20 5 FEBDRO C[C@H]1CC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000602555262 673907893 /nfs/dbraw/zinc/90/78/93/673907893.db2.gz PTPPUXMNMQYISJ-VHSXEESVSA-N 1 0 361.320 2.406 20 5 FEBDRO CCOC(=O)[C@]1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCOC1 ZINC000602742888 673910592 /nfs/dbraw/zinc/91/05/92/673910592.db2.gz UMQFMEZPTFYGJV-KRWDZBQOSA-N 1 0 352.387 2.053 20 5 FEBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000602950529 673914194 /nfs/dbraw/zinc/91/41/94/673914194.db2.gz FRIOZLBFLYPBIV-UHFFFAOYSA-N 1 0 363.443 2.377 20 5 FEBDRO CNc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000548188488 673931687 /nfs/dbraw/zinc/93/16/87/673931687.db2.gz HQUSRRHGOJFWHU-JKSUJKDBSA-N 1 0 364.471 2.288 20 5 FEBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000548453580 673959974 /nfs/dbraw/zinc/95/99/74/673959974.db2.gz UONZFYDOXDESCY-HNNXBMFYSA-N 1 0 351.451 2.131 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548496602 673963167 /nfs/dbraw/zinc/96/31/67/673963167.db2.gz YYMGNMCDWFRBEI-CYBMUJFWSA-N 1 0 351.794 2.014 20 5 FEBDRO CNc1ccc(S(=O)(=O)N(C)CCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000818618205 675228841 /nfs/dbraw/zinc/22/88/41/675228841.db2.gz PERWALYHRHVRDN-UHFFFAOYSA-N 1 0 358.464 2.166 20 5 FEBDRO Cc1c(C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000819259330 675274809 /nfs/dbraw/zinc/27/48/09/675274809.db2.gz HBOBQYFFSCBEMJ-CQSZACIVSA-N 1 0 353.419 2.269 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ncccc2Cl)c1 ZINC000567689562 675312903 /nfs/dbraw/zinc/31/29/03/675312903.db2.gz MKPLZDACSXJUPP-CYBMUJFWSA-N 1 0 367.789 2.052 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000567862015 675330120 /nfs/dbraw/zinc/33/01/20/675330120.db2.gz FFYIKBHHMBJQMU-LSDHHAIUSA-N 1 0 367.471 2.222 20 5 FEBDRO CO[C@H](CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(F)(F)F ZINC000615732055 676225554 /nfs/dbraw/zinc/22/55/54/676225554.db2.gz QRCMTKIUXPZRDF-CYBMUJFWSA-N 1 0 350.293 2.423 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000822497562 675488617 /nfs/dbraw/zinc/48/86/17/675488617.db2.gz FPNBEZPZUROAEL-UHFFFAOYSA-N 1 0 352.391 2.046 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)CC1 ZINC000823204564 675536222 /nfs/dbraw/zinc/53/62/22/675536222.db2.gz HSXQUKKUNXANML-UHFFFAOYSA-N 1 0 368.821 2.374 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000824400755 675600128 /nfs/dbraw/zinc/60/01/28/675600128.db2.gz DGSIRHBYWYNFGZ-AWEZNQCLSA-N 1 0 350.463 2.213 20 5 FEBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[NH+]1CCCCC1 ZINC000825505911 675656489 /nfs/dbraw/zinc/65/64/89/675656489.db2.gz ZLKSNIBUNWZYET-LBPRGKRZSA-N 1 0 352.410 2.404 20 5 FEBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@@H+]1C ZINC000827491063 675760353 /nfs/dbraw/zinc/76/03/53/675760353.db2.gz KXNVODPWIJQJJU-GFCCVEGCSA-N 1 0 371.235 2.165 20 5 FEBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000827837521 675782493 /nfs/dbraw/zinc/78/24/93/675782493.db2.gz XMCOQBIFGCYKCO-LBPRGKRZSA-N 1 0 369.849 2.142 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2CCCO)cc1Cl ZINC000828423535 675818952 /nfs/dbraw/zinc/81/89/52/675818952.db2.gz WWJQTOLTDACHMI-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO C[C@](O)(CO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000619464268 676377907 /nfs/dbraw/zinc/37/79/07/676377907.db2.gz JRBXWWNPZNQZAG-QGZVFWFLSA-N 1 0 350.346 2.359 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C1CC1 ZINC000760811745 680701807 /nfs/dbraw/zinc/70/18/07/680701807.db2.gz FPYQGZAFIGHRPN-GFCCVEGCSA-N 1 0 356.220 2.427 20 5 FEBDRO C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)[N@H+]1CCO ZINC000840134303 680801262 /nfs/dbraw/zinc/80/12/62/680801262.db2.gz MOBFQXCYYNFXPH-TXEJJXNPSA-N 1 0 366.443 2.216 20 5 FEBDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000831217665 679949115 /nfs/dbraw/zinc/94/91/15/679949115.db2.gz FWSXMKLROQKCDW-DXCKQFNASA-N 1 0 367.833 2.397 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818730 680047551 /nfs/dbraw/zinc/04/75/51/680047551.db2.gz OIAQETHJDXUJCK-UHFFFAOYSA-N 1 0 353.423 2.171 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000832742498 680171657 /nfs/dbraw/zinc/17/16/57/680171657.db2.gz ITWSXECZJWKGBJ-LBPRGKRZSA-N 1 0 368.821 2.129 20 5 FEBDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072662 680221929 /nfs/dbraw/zinc/22/19/29/680221929.db2.gz JFXTXDIMCIEULZ-STQMWFEESA-N 1 0 353.423 2.026 20 5 FEBDRO CC(C)(C)c1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983658105 680318660 /nfs/dbraw/zinc/31/86/60/680318660.db2.gz PXIOKGQCJBCHJJ-FDYHWXHSSA-N 1 0 366.487 2.090 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000997769435 680365738 /nfs/dbraw/zinc/36/57/38/680365738.db2.gz OBRDVDZJDBCVEO-CHWSQXEVSA-N 1 0 357.863 2.395 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)C(F)F ZINC000841160289 680866720 /nfs/dbraw/zinc/86/67/20/680866720.db2.gz BTHVQOYQUMIKNQ-MRVPVSSYSA-N 1 0 367.150 2.461 20 5 FEBDRO O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841161162 680866876 /nfs/dbraw/zinc/86/68/76/680866876.db2.gz KPLNKJXRCVBNEW-DTORHVGOSA-N 1 0 355.192 2.040 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842482643 680949990 /nfs/dbraw/zinc/94/99/90/680949990.db2.gz UDBWYTSXWFDFID-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712160 680955864 /nfs/dbraw/zinc/95/58/64/680955864.db2.gz KDUZPUXGWUFQLD-CYBMUJFWSA-N 1 0 366.849 2.147 20 5 FEBDRO CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842722423 680962081 /nfs/dbraw/zinc/96/20/81/680962081.db2.gz GNVLSGRMYMJQDG-MRXNPFEDSA-N 1 0 366.443 2.185 20 5 FEBDRO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000768864769 680962256 /nfs/dbraw/zinc/96/22/56/680962256.db2.gz BBRTZDKOIVTCJP-GFCCVEGCSA-N 1 0 359.473 2.009 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc([N+](=O)[O-])c1F ZINC000842781449 680965945 /nfs/dbraw/zinc/96/59/45/680965945.db2.gz DTYZLNYXMCVFFU-UHFFFAOYSA-N 1 0 371.434 2.197 20 5 FEBDRO Cc1cccc([C@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000843090254 680986998 /nfs/dbraw/zinc/98/69/98/680986998.db2.gz VUNMYGKEVFTRCT-QGZVFWFLSA-N 1 0 364.423 2.000 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000769708355 680992325 /nfs/dbraw/zinc/99/23/25/680992325.db2.gz TXJNNRZRRBZYLC-UHFFFAOYSA-N 1 0 350.375 2.355 20 5 FEBDRO COc1cc(Cc2noc(CCC(C)(C)[NH3+])n2)c([N+](=O)[O-])c(OC)c1 ZINC000843226346 680993303 /nfs/dbraw/zinc/99/33/03/680993303.db2.gz ZSUAVSLFKYNFLO-UHFFFAOYSA-N 1 0 350.375 2.256 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000771067081 681040092 /nfs/dbraw/zinc/04/00/92/681040092.db2.gz OUGWZABISHZVEK-CYBMUJFWSA-N 1 0 353.394 2.434 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000845741592 681150008 /nfs/dbraw/zinc/15/00/08/681150008.db2.gz UBOULGYYWIPJPG-NSHDSACASA-N 1 0 350.371 2.396 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000775578148 681316215 /nfs/dbraw/zinc/31/62/15/681316215.db2.gz SLIOVVIDDCJTBN-SJKOYZFVSA-N 1 0 364.423 2.383 20 5 FEBDRO CCC[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000776595877 681412957 /nfs/dbraw/zinc/41/29/57/681412957.db2.gz BSWDXXPRUQOQHE-ZWKOTPCHSA-N 1 0 351.447 2.061 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000777983444 681552531 /nfs/dbraw/zinc/55/25/31/681552531.db2.gz WAEPFCNYHZBXPO-UHFFFAOYSA-N 1 0 353.329 2.083 20 5 FEBDRO CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647581 681735044 /nfs/dbraw/zinc/73/50/44/681735044.db2.gz AKKDZWHYWNEZCK-CQSZACIVSA-N 1 0 356.810 2.356 20 5 FEBDRO CC(C)N1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000779647579 681735163 /nfs/dbraw/zinc/73/51/63/681735163.db2.gz AKKDZWHYWNEZCK-AWEZNQCLSA-N 1 0 356.810 2.356 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC000849461748 681747481 /nfs/dbraw/zinc/74/74/81/681747481.db2.gz ZDQMWVWDCOVLBV-NSHDSACASA-N 1 0 359.473 2.342 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781567703 681949136 /nfs/dbraw/zinc/94/91/36/681949136.db2.gz QKZGXPIWDPSPIE-CQSZACIVSA-N 1 0 350.375 2.036 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000781601897 681951983 /nfs/dbraw/zinc/95/19/83/681951983.db2.gz VWGZTLIKSBXEKT-UHFFFAOYSA-N 1 0 350.375 2.036 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1cc([N+](=O)[O-])ccc1OC ZINC000917594664 685533238 /nfs/dbraw/zinc/53/32/38/685533238.db2.gz VBBCLTJIOCFALG-CQSZACIVSA-N 1 0 352.460 2.052 20 5 FEBDRO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000917760706 685534532 /nfs/dbraw/zinc/53/45/32/685534532.db2.gz ITQQZQUFYHZADL-NSHDSACASA-N 1 0 361.851 2.401 20 5 FEBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000785383794 682292100 /nfs/dbraw/zinc/29/21/00/682292100.db2.gz DJBGCZFMRMTLQP-GFCCVEGCSA-N 1 0 368.821 2.176 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc([N+](=O)[O-])c1F ZINC000918360001 685538774 /nfs/dbraw/zinc/53/87/74/685538774.db2.gz PDJBRMYMDJTQQD-HZPDHXFCSA-N 1 0 371.434 2.005 20 5 FEBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3ccc(F)c(F)c3)CC2)n1 ZINC000785867091 682332906 /nfs/dbraw/zinc/33/29/06/682332906.db2.gz QAMGVTBONTXNPA-OAHLLOKOSA-N 1 0 352.341 2.440 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000852762395 682338701 /nfs/dbraw/zinc/33/87/01/682338701.db2.gz MGLRQEVMKGLPBZ-HQJQHLMTSA-N 1 0 368.743 2.397 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000853676716 682455031 /nfs/dbraw/zinc/45/50/31/682455031.db2.gz GLDKRCLXXMLFJE-UHFFFAOYSA-N 1 0 353.394 2.073 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1OS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000790008726 682645972 /nfs/dbraw/zinc/64/59/72/682645972.db2.gz LQFLPUJUYQLVOT-UHFFFAOYSA-N 1 0 366.395 2.433 20 5 FEBDRO CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000791129022 682724236 /nfs/dbraw/zinc/72/42/36/682724236.db2.gz IIQFTVAMXITXAW-HNNXBMFYSA-N 1 0 355.797 2.482 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856478582 682787419 /nfs/dbraw/zinc/78/74/19/682787419.db2.gz CYWLCGVOLIJEMM-LBPRGKRZSA-N 1 0 350.394 2.168 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000858614839 682985497 /nfs/dbraw/zinc/98/54/97/682985497.db2.gz DTHLXUAUMHMOSG-GFCCVEGCSA-N 1 0 361.851 2.175 20 5 FEBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337703 683086470 /nfs/dbraw/zinc/08/64/70/683086470.db2.gz NVTHNTZHYNOQGX-GFCCVEGCSA-N 1 0 366.849 2.147 20 5 FEBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164839 683135564 /nfs/dbraw/zinc/13/55/64/683135564.db2.gz ZKFDEXCIRPWQPM-CVEARBPZSA-N 1 0 351.403 2.229 20 5 FEBDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000797528820 683257010 /nfs/dbraw/zinc/25/70/10/683257010.db2.gz XIVNWGCAVPXLGI-LTCOOKNTSA-N 1 0 350.415 2.287 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000797832384 683278507 /nfs/dbraw/zinc/27/85/07/683278507.db2.gz XRIFPLISWPXJLF-LBPRGKRZSA-N 1 0 359.423 2.193 20 5 FEBDRO CN(C)c1cc[nH+]c(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000927701891 683294744 /nfs/dbraw/zinc/29/47/44/683294744.db2.gz HOWUWYCUHLXJBL-UHFFFAOYSA-N 1 0 350.325 2.464 20 5 FEBDRO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093615 683382536 /nfs/dbraw/zinc/38/25/36/683382536.db2.gz DITRSSMMFDLOJY-GDBMZVCRSA-N 1 0 360.439 2.386 20 5 FEBDRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000921311690 683418225 /nfs/dbraw/zinc/41/82/25/683418225.db2.gz ZFBFASPGTOAEOE-WBMJQRKESA-N 1 0 352.460 2.392 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CCC1(C)C ZINC000866699216 684136281 /nfs/dbraw/zinc/13/62/81/684136281.db2.gz JKUQLOLIBDKUSM-UHFFFAOYSA-N 1 0 350.419 2.006 20 5 FEBDRO O=C(CN1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000866715308 684138400 /nfs/dbraw/zinc/13/84/00/684138400.db2.gz AQZGWJXOEPMWFW-SMDDNHRTSA-N 1 0 352.822 2.261 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000866863668 684170084 /nfs/dbraw/zinc/17/00/84/684170084.db2.gz RWQRKONUMXBTIT-JSGCOSHPSA-N 1 0 373.450 2.393 20 5 FEBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308594 684243972 /nfs/dbraw/zinc/24/39/72/684243972.db2.gz KTYMABSTNUIMLH-LDYMZIIASA-N 1 0 365.814 2.100 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000867438268 684280087 /nfs/dbraw/zinc/28/00/87/684280087.db2.gz BIYJVVDRSWIDLM-UHFFFAOYSA-N 1 0 368.242 2.274 20 5 FEBDRO CCOc1ccc(NC(=O)CN2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000923443776 684281885 /nfs/dbraw/zinc/28/18/85/684281885.db2.gz RGEPTFPBTMOMRU-FRRDWIJNSA-N 1 0 350.419 2.003 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923445143 684281971 /nfs/dbraw/zinc/28/19/71/684281971.db2.gz UECMAJDZEAHPGM-FRRDWIJNSA-N 1 0 350.419 2.003 20 5 FEBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731345 684338633 /nfs/dbraw/zinc/33/86/33/684338633.db2.gz AUYVGCFMMACCPC-PRHODGIISA-N 1 0 364.299 2.341 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923732988 684341798 /nfs/dbraw/zinc/34/17/98/684341798.db2.gz ZKOIFZOPBWAGIR-AWEZNQCLSA-N 1 0 359.835 2.155 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000868009935 684438878 /nfs/dbraw/zinc/43/88/78/684438878.db2.gz FNBFTZXEDRYYFF-LBPRGKRZSA-N 1 0 367.471 2.341 20 5 FEBDRO COCCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000868044568 684443545 /nfs/dbraw/zinc/44/35/45/684443545.db2.gz KNCHIBQDVHSLAV-UHFFFAOYSA-N 1 0 355.822 2.066 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000925147019 684529144 /nfs/dbraw/zinc/52/91/44/684529144.db2.gz ZAMNLEQALXBOIP-HOCLYGCPSA-N 1 0 364.471 2.316 20 5 FEBDRO CC[C@H](C[NH+](C)C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000870552389 684729700 /nfs/dbraw/zinc/72/97/00/684729700.db2.gz VMYYWMYAYVQBLB-NEPJUHHUSA-N 1 0 369.443 2.144 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]12COC(=O)N1CCOC2 ZINC000872091443 684918859 /nfs/dbraw/zinc/91/88/59/684918859.db2.gz HQSKASZDUCSSGK-BDJLRTHQSA-N 1 0 367.427 2.189 20 5 FEBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F)C1CC[NH2+]CC1 ZINC000872784021 685015505 /nfs/dbraw/zinc/01/55/05/685015505.db2.gz WZYSDQRIOJALCC-GFCCVEGCSA-N 1 0 352.410 2.371 20 5 FEBDRO COCCN(CC1CC[NH+](C)CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000876166080 686143097 /nfs/dbraw/zinc/14/30/97/686143097.db2.gz KYVMBUXHHJIMOL-UHFFFAOYSA-N 1 0 353.394 2.164 20 5 FEBDRO Cn1cc(C[N@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000876613997 686228520 /nfs/dbraw/zinc/22/85/20/686228520.db2.gz HONLAKNVIXQPNP-UHFFFAOYSA-N 1 0 353.423 2.160 20 5 FEBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877113468 686327372 /nfs/dbraw/zinc/32/73/72/686327372.db2.gz LRFYBPAYFLPAQU-ZDUSSCGKSA-N 1 0 367.833 2.479 20 5 FEBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280205 686347872 /nfs/dbraw/zinc/34/78/72/686347872.db2.gz UOIITBZGBOCMSM-MNOVXSKESA-N 1 0 372.194 2.463 20 5 FEBDRO O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000877389535 686370555 /nfs/dbraw/zinc/37/05/55/686370555.db2.gz NCVWFJNSVPFBMT-GXTWGEPZSA-N 1 0 354.204 2.372 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000879574992 686860463 /nfs/dbraw/zinc/86/04/63/686860463.db2.gz HSEQODXHHGJAQV-BXUZGUMPSA-N 1 0 352.822 2.213 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575949 686861785 /nfs/dbraw/zinc/86/17/85/686861785.db2.gz PCTPZLBCJBIURA-RISCZKNCSA-N 1 0 352.822 2.213 20 5 FEBDRO C[NH+]1CCC(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000881863967 687238213 /nfs/dbraw/zinc/23/82/13/687238213.db2.gz JXJRNEMEKRHRKR-UHFFFAOYSA-N 1 0 356.220 2.315 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000882237565 687331865 /nfs/dbraw/zinc/33/18/65/687331865.db2.gz NNCXWEGGTVQNMP-YOGCLGLASA-N 1 0 373.862 2.460 20 5 FEBDRO C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883178185 687582783 /nfs/dbraw/zinc/58/27/83/687582783.db2.gz QORPSMNIXUDGPB-GFCCVEGCSA-N 1 0 371.235 2.251 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)n1 ZINC000883361580 687613695 /nfs/dbraw/zinc/61/36/95/687613695.db2.gz HCJSUDMWULHERE-IVZWLZJFSA-N 1 0 372.294 2.423 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]CCC12CCC2 ZINC000883478749 687643343 /nfs/dbraw/zinc/64/33/43/687643343.db2.gz XKTKYIPFJHNYJD-UHFFFAOYSA-N 1 0 359.835 2.155 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000885459208 688078372 /nfs/dbraw/zinc/07/83/72/688078372.db2.gz CWNFRIDUVBIMDF-NEPJUHHUSA-N 1 0 359.473 2.212 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC000886200665 688212990 /nfs/dbraw/zinc/21/29/90/688212990.db2.gz WHJIUFPIORZDQJ-CABZTGNLSA-N 1 0 360.151 2.078 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@]2(C)C1 ZINC000887929448 688521509 /nfs/dbraw/zinc/52/15/09/688521509.db2.gz XEWJOTQPRBULDX-HWPZZCPQSA-N 1 0 355.341 2.220 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000888288071 688578242 /nfs/dbraw/zinc/57/82/42/688578242.db2.gz AUJQJCUYRQLDQU-GFCCVEGCSA-N 1 0 369.853 2.314 20 5 FEBDRO C[C@H](O)C[NH+]1CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892316731 689179170 /nfs/dbraw/zinc/17/91/70/689179170.db2.gz WAKDOCFZHQLLHL-NSHDSACASA-N 1 0 350.806 2.299 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000893021299 689282271 /nfs/dbraw/zinc/28/22/71/689282271.db2.gz BHAZJQWRVKIESO-HIFRSBDPSA-N 1 0 351.451 2.211 20 5 FEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCC([NH2+]CCO)CC1 ZINC000893022739 689282424 /nfs/dbraw/zinc/28/24/24/689282424.db2.gz NNKUEFUVOQTISE-UHFFFAOYSA-N 1 0 350.806 2.347 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCN(c2c3cccc(Cl)c3ncc2[N+](=O)[O-])C1 ZINC000895010157 689639560 /nfs/dbraw/zinc/63/95/60/689639560.db2.gz LXBZZTUQHJCQSV-MRXNPFEDSA-N 1 0 350.806 2.299 20 5 FEBDRO CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000895101160 689661244 /nfs/dbraw/zinc/66/12/44/689661244.db2.gz ZYCHVZPDIKXNBN-HNNXBMFYSA-N 1 0 355.460 2.165 20 5 FEBDRO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000895246116 689683165 /nfs/dbraw/zinc/68/31/65/689683165.db2.gz LMTYKZVICHFYTN-IINYFYTJSA-N 1 0 357.252 2.404 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCC4(CCOCC4)CO3)C2)c1 ZINC000895535663 689731859 /nfs/dbraw/zinc/73/18/59/689731859.db2.gz CCCWZNBHWDKDAS-XUJLQICISA-N 1 0 350.419 2.060 20 5 FEBDRO CO[C@H](C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000895611164 689743942 /nfs/dbraw/zinc/74/39/42/689743942.db2.gz SAUODJNHIRLUBL-SMDDNHRTSA-N 1 0 359.220 2.498 20 5 FEBDRO COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000895708093 689757546 /nfs/dbraw/zinc/75/75/46/689757546.db2.gz PBDAJMCAUDIFSM-KRWDZBQOSA-N 1 0 362.407 2.433 20 5 FEBDRO CO[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCSC1 ZINC000896572852 689898267 /nfs/dbraw/zinc/89/82/67/689898267.db2.gz IZDHTXKHNUBNER-MRXNPFEDSA-N 1 0 352.460 2.070 20 5 FEBDRO CCO[C@H](CNCc1cc(Br)c([N+](=O)[O-])s1)C[NH+](C)C ZINC000896876371 689942707 /nfs/dbraw/zinc/94/27/07/689942707.db2.gz DUNYSQWQTKELLD-SECBINFHSA-N 1 0 366.281 2.475 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@H]1CCCN2CCO ZINC000897220083 689990280 /nfs/dbraw/zinc/99/02/80/689990280.db2.gz SCUZHTNCSMRRFN-QWHCGFSZSA-N 1 0 370.247 2.393 20 5 FEBDRO C[NH+](C)CCc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640739 690541857 /nfs/dbraw/zinc/54/18/57/690541857.db2.gz AVIWURICVARNHO-UHFFFAOYSA-N 1 0 354.208 2.101 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC3(CCOCC3)CO2)cc1 ZINC000905425266 691117373 /nfs/dbraw/zinc/11/73/73/691117373.db2.gz OXNNNOCIONFWDI-IRXDYDNUSA-N 1 0 350.415 2.194 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@@H]12)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000905853088 691183088 /nfs/dbraw/zinc/18/30/88/691183088.db2.gz PBXLLIYFAATQDU-BJJXKVORSA-N 1 0 364.471 2.091 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063913 691384505 /nfs/dbraw/zinc/38/45/05/691384505.db2.gz DRHBWOYJGXTVNI-GXFFZTMASA-N 1 0 352.822 2.387 20 5 FEBDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813582 720089119 /nfs/dbraw/zinc/08/91/19/720089119.db2.gz TYCSHDPPJKJERR-LPHOPBHVSA-N 1 0 360.458 2.483 20 5 FEBDRO Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868324 721048283 /nfs/dbraw/zinc/04/82/83/721048283.db2.gz NTSWVYCIQFWWAO-DLBZAZTESA-N 1 0 369.425 2.173 20 5 FEBDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932469 721858260 /nfs/dbraw/zinc/85/82/60/721858260.db2.gz XZSQQONGHBSNNC-ZWKOTPCHSA-N 1 0 355.442 2.358 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486981570 888547309 /nfs/dbraw/zinc/54/73/09/888547309.db2.gz OJAHGTBIGBPMBI-CYBMUJFWSA-N 1 0 360.418 2.083 20 5 FEBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccnc(NC)c1[N+](=O)[O-])c1ccco1 ZINC000519834787 889258025 /nfs/dbraw/zinc/25/80/25/889258025.db2.gz UYXMBEMSOICVLV-AAEUAGOBSA-N 1 0 361.402 2.484 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000549252455 674028789 /nfs/dbraw/zinc/02/87/89/674028789.db2.gz QYPKRINQUHRABC-YIONKMFJSA-N 1 0 351.451 2.198 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800542029 674061387 /nfs/dbraw/zinc/06/13/87/674061387.db2.gz YTUZSRYSFLKDMH-YPMHNXCESA-N 1 0 361.851 2.056 20 5 FEBDRO C[N@H+](CCOc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025697696 539766849 /nfs/dbraw/zinc/76/68/49/539766849.db2.gz QBRUMGJCDXDFOU-OAHLLOKOSA-N 1 0 364.373 2.484 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000027146605 539801421 /nfs/dbraw/zinc/80/14/21/539801421.db2.gz ICDVBHPWNXBODA-OAHLLOKOSA-N 1 0 367.471 2.160 20 5 FEBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000549974361 674076263 /nfs/dbraw/zinc/07/62/63/674076263.db2.gz ILVNKMWLJNNGEC-VIFPVBQESA-N 1 0 364.183 2.402 20 5 FEBDRO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000028689943 539834856 /nfs/dbraw/zinc/83/48/56/539834856.db2.gz LRQIMBPVDVEANX-LJQANCHMSA-N 1 0 371.437 2.465 20 5 FEBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCCC1 ZINC000076267186 542251566 /nfs/dbraw/zinc/25/15/66/542251566.db2.gz PDISJXFBQKJDPM-ZDUSSCGKSA-N 1 0 358.402 2.225 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000031465419 539908099 /nfs/dbraw/zinc/90/80/99/539908099.db2.gz UCWYMGXAVOENOB-UHFFFAOYSA-N 1 0 356.382 2.139 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000041423565 540020238 /nfs/dbraw/zinc/02/02/38/540020238.db2.gz CXRLAJFGXHWDGV-UHFFFAOYSA-N 1 0 364.471 2.390 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041423010 540020557 /nfs/dbraw/zinc/02/05/57/540020557.db2.gz ISOJARDZAOEGAZ-ZDUSSCGKSA-N 1 0 355.460 2.160 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000043122004 540090056 /nfs/dbraw/zinc/09/00/56/540090056.db2.gz NQZCOQHRNINAIQ-CHWSQXEVSA-N 1 0 366.418 2.224 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044533240 540129466 /nfs/dbraw/zinc/12/94/66/540129466.db2.gz OTOWUGXZAGZXKO-CQSZACIVSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+](CC)CC)cc1OC ZINC000053268433 540522373 /nfs/dbraw/zinc/52/23/73/540522373.db2.gz JLLLEYYLYKEIPH-UHFFFAOYSA-N 1 0 353.419 2.464 20 5 FEBDRO COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[NH+]2CCCC2)c1 ZINC000054373540 540586959 /nfs/dbraw/zinc/58/69/59/540586959.db2.gz WSKFRSIKUGLXSB-KRWDZBQOSA-N 1 0 358.398 2.498 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000055298089 540645112 /nfs/dbraw/zinc/64/51/12/540645112.db2.gz GNSPBFJEPCARTD-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[N@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000056192034 540711142 /nfs/dbraw/zinc/71/11/42/540711142.db2.gz SPTVGHLFANPAND-UHFFFAOYSA-N 1 0 357.366 2.185 20 5 FEBDRO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000057042745 540764841 /nfs/dbraw/zinc/76/48/41/540764841.db2.gz UDKYRFURCMSDSL-OAHLLOKOSA-N 1 0 363.462 2.428 20 5 FEBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000065601918 541248012 /nfs/dbraw/zinc/24/80/12/541248012.db2.gz HAXIPLPWAOWZGI-ZDUSSCGKSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000065716310 541254728 /nfs/dbraw/zinc/25/47/28/541254728.db2.gz BYWACFSWGOWBBG-UHFFFAOYSA-N 1 0 363.462 2.405 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000066105759 541282438 /nfs/dbraw/zinc/28/24/38/541282438.db2.gz DKKDWFWLGZRCLE-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000067191354 541430565 /nfs/dbraw/zinc/43/05/65/541430565.db2.gz WBIFFAJALZNIKO-CYBMUJFWSA-N 1 0 361.398 2.066 20 5 FEBDRO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068240000 541567034 /nfs/dbraw/zinc/56/70/34/541567034.db2.gz AAZDGNCORZNSKA-CYBMUJFWSA-N 1 0 367.402 2.068 20 5 FEBDRO CCCC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068903190 541639566 /nfs/dbraw/zinc/63/95/66/541639566.db2.gz DPIZHGASYQLAOX-UHFFFAOYSA-N 1 0 359.423 2.277 20 5 FEBDRO O=C(CN1CCC[C@H]1C[NH+]1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000069033471 541650536 /nfs/dbraw/zinc/65/05/36/541650536.db2.gz CVMFMWVVCAGKBX-SFHVURJKSA-N 1 0 372.469 2.434 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440999 541686993 /nfs/dbraw/zinc/68/69/93/541686993.db2.gz HAJZRTUIZQUOKK-HNNXBMFYSA-N 1 0 364.446 2.393 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069423893 541685659 /nfs/dbraw/zinc/68/56/59/541685659.db2.gz BREWBIMWCBAEOT-HUUCEWRRSA-N 1 0 364.446 2.393 20 5 FEBDRO COc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c([N+](=O)[O-])cc1OC ZINC000071039610 541760183 /nfs/dbraw/zinc/76/01/83/541760183.db2.gz KCUODJFJGDGIFV-UHFFFAOYSA-N 1 0 369.337 2.445 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000074137192 542042426 /nfs/dbraw/zinc/04/24/26/542042426.db2.gz WRTXSMOCNNLGPZ-GFCCVEGCSA-N 1 0 353.419 2.318 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000075346590 542171664 /nfs/dbraw/zinc/17/16/64/542171664.db2.gz WCMIQDDBYRDVDL-CYBMUJFWSA-N 1 0 350.375 2.368 20 5 FEBDRO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000075768079 542202948 /nfs/dbraw/zinc/20/29/48/542202948.db2.gz NAOCYMSDVUHLMT-GVDBMIGSSA-N 1 0 366.462 2.212 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000075741040 542201634 /nfs/dbraw/zinc/20/16/34/542201634.db2.gz FJTZZGWLGCANGG-XJKSGUPXSA-N 1 0 352.341 2.268 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000075964890 542218787 /nfs/dbraw/zinc/21/87/87/542218787.db2.gz GFFCAUZNHIVTLR-ZBFHGGJFSA-N 1 0 362.455 2.266 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000078455110 542462228 /nfs/dbraw/zinc/46/22/28/542462228.db2.gz LHPZHXGQKCZNSI-OAHLLOKOSA-N 1 0 357.414 2.337 20 5 FEBDRO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000551594685 674153252 /nfs/dbraw/zinc/15/32/52/674153252.db2.gz UQNUDUIBYUVQRE-OAHLLOKOSA-N 1 0 351.447 2.189 20 5 FEBDRO Cc1cc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ncc1[N+](=O)[O-] ZINC000080605621 542597190 /nfs/dbraw/zinc/59/71/90/542597190.db2.gz LYCVKINXVQYGJQ-OAHLLOKOSA-N 1 0 356.430 2.316 20 5 FEBDRO CC(C)(C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000081038207 542626336 /nfs/dbraw/zinc/62/63/36/542626336.db2.gz YRFJUSQTCQZINV-UHFFFAOYSA-N 1 0 361.442 2.196 20 5 FEBDRO Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962115 542778126 /nfs/dbraw/zinc/77/81/26/542778126.db2.gz HDLYIASZLDHPHI-MSOLQXFVSA-N 1 0 369.421 2.268 20 5 FEBDRO Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962117 542778485 /nfs/dbraw/zinc/77/84/85/542778485.db2.gz HDLYIASZLDHPHI-QZTJIDSGSA-N 1 0 369.421 2.268 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092100340 542846028 /nfs/dbraw/zinc/84/60/28/542846028.db2.gz FZSLPYSGEXTXFA-HNNXBMFYSA-N 1 0 371.441 2.296 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092642210 542876527 /nfs/dbraw/zinc/87/65/27/542876527.db2.gz QCTHOXPYDRUZOF-ZDUSSCGKSA-N 1 0 357.414 2.142 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000092765285 542886280 /nfs/dbraw/zinc/88/62/80/542886280.db2.gz JFHXEIKUBISSHH-INIZCTEOSA-N 1 0 363.458 2.487 20 5 FEBDRO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000104923257 543150447 /nfs/dbraw/zinc/15/04/47/543150447.db2.gz GTIVHYKWIQNUDU-UHFFFAOYSA-N 1 0 369.421 2.482 20 5 FEBDRO CC(=O)N1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000105505584 543174472 /nfs/dbraw/zinc/17/44/72/543174472.db2.gz LTVSNEMRIQQOQP-UHFFFAOYSA-N 1 0 371.441 2.343 20 5 FEBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000106086458 543193002 /nfs/dbraw/zinc/19/30/02/543193002.db2.gz ISQNBSAFQNPOEL-INIZCTEOSA-N 1 0 357.414 2.364 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000106380387 543226747 /nfs/dbraw/zinc/22/67/47/543226747.db2.gz LBNMCKFQBSXJNH-CQSZACIVSA-N 1 0 357.357 2.149 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891733 543252864 /nfs/dbraw/zinc/25/28/64/543252864.db2.gz OYPJUGYCFZZGIJ-CYBMUJFWSA-N 1 0 353.444 2.198 20 5 FEBDRO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108784127 543302505 /nfs/dbraw/zinc/30/25/05/543302505.db2.gz DOKOXVFPTKYJHS-CYBMUJFWSA-N 1 0 369.425 2.209 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000109816750 543340418 /nfs/dbraw/zinc/34/04/18/543340418.db2.gz RMIQTXSJAHAUGQ-AWEZNQCLSA-N 1 0 355.460 2.302 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110389732 543356969 /nfs/dbraw/zinc/35/69/69/543356969.db2.gz JGBVILDZHPJLLJ-ALOPSCKCSA-N 1 0 369.425 2.103 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000110993881 543377769 /nfs/dbraw/zinc/37/77/69/543377769.db2.gz FJULWRLJLUCABG-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111415414 543401004 /nfs/dbraw/zinc/40/10/04/543401004.db2.gz KJBNXOVKOTVGPL-UHFFFAOYSA-N 1 0 369.853 2.349 20 5 FEBDRO CCC[NH+]1CCC(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000111590347 543407958 /nfs/dbraw/zinc/40/79/58/543407958.db2.gz QHXDBQLELZWHNT-UHFFFAOYSA-N 1 0 372.425 2.288 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112922018 543468335 /nfs/dbraw/zinc/46/83/35/543468335.db2.gz CLPAVSMEAGEFQL-ZDUSSCGKSA-N 1 0 368.865 2.252 20 5 FEBDRO COC(=O)c1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000112925150 543469340 /nfs/dbraw/zinc/46/93/40/543469340.db2.gz YDHZKTMQMPAGST-UHFFFAOYSA-N 1 0 363.414 2.185 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000113301308 543482979 /nfs/dbraw/zinc/48/29/79/543482979.db2.gz IOIOXJAYSKXLPW-ZDUSSCGKSA-N 1 0 371.459 2.146 20 5 FEBDRO C[N@H+](CCCO)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115546285 543572526 /nfs/dbraw/zinc/57/25/26/543572526.db2.gz MEZDHGDCODKYDF-UHFFFAOYSA-N 1 0 351.447 2.142 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000115585497 543575969 /nfs/dbraw/zinc/57/59/69/543575969.db2.gz AMHSIMOKVQAGPG-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO CCc1ccc(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000124324218 543814281 /nfs/dbraw/zinc/81/42/81/543814281.db2.gz LBPITIFTWNQDAW-UHFFFAOYSA-N 1 0 372.425 2.423 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000124597875 543831572 /nfs/dbraw/zinc/83/15/72/543831572.db2.gz JKMXJXLLVPDPIB-OAHLLOKOSA-N 1 0 352.398 2.366 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000129850269 544129780 /nfs/dbraw/zinc/12/97/80/544129780.db2.gz NEUCPIIJUNXMLG-NSHDSACASA-N 1 0 359.224 2.011 20 5 FEBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000130046485 544136680 /nfs/dbraw/zinc/13/66/80/544136680.db2.gz XKAVRGIBVYIBPS-UHFFFAOYSA-N 1 0 372.469 2.302 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247500489 549345243 /nfs/dbraw/zinc/34/52/43/549345243.db2.gz UZQVSKWECJMDOV-AAEUAGOBSA-N 1 0 352.822 2.355 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@]2(CO)CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000132261812 544224740 /nfs/dbraw/zinc/22/47/40/544224740.db2.gz ONPLFMMLLASWNC-LJQANCHMSA-N 1 0 358.394 2.406 20 5 FEBDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1[nH]ncc1[N+](=O)[O-])c1ccccc1O2 ZINC000134992016 544330130 /nfs/dbraw/zinc/33/01/30/544330130.db2.gz JFGLKLPEQKZPRP-ZDUSSCGKSA-N 1 0 371.397 2.036 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000135044540 544332186 /nfs/dbraw/zinc/33/21/86/544332186.db2.gz VIDLZFORMYNILK-RDJZCZTQSA-N 1 0 371.441 2.160 20 5 FEBDRO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452916 544347519 /nfs/dbraw/zinc/34/75/19/544347519.db2.gz WIDZTIIFAUBGKF-HOTGVXAUSA-N 1 0 358.398 2.070 20 5 FEBDRO CC[C@@]1(C)C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000135630299 544356891 /nfs/dbraw/zinc/35/68/91/544356891.db2.gz ILGLJAPZRSWLHZ-KRWDZBQOSA-N 1 0 351.403 2.433 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)O1 ZINC000145527805 544434942 /nfs/dbraw/zinc/43/49/42/544434942.db2.gz CVWZAZVWIVRPHT-CHWSQXEVSA-N 1 0 360.414 2.305 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000146785025 544442550 /nfs/dbraw/zinc/44/25/50/544442550.db2.gz KMTFYNDAOWZSFX-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO COc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000151792322 544580676 /nfs/dbraw/zinc/58/06/76/544580676.db2.gz UVPJNXDVCNBCOH-UHFFFAOYSA-N 1 0 371.459 2.002 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153048017 544726783 /nfs/dbraw/zinc/72/67/83/544726783.db2.gz PCRFFJRSWLJBGQ-RWMBFGLXSA-N 1 0 351.403 2.166 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153217475 544747407 /nfs/dbraw/zinc/74/74/07/544747407.db2.gz APRJGWKBSFPJKI-TXEJJXNPSA-N 1 0 353.444 2.045 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153422030 544773716 /nfs/dbraw/zinc/77/37/16/544773716.db2.gz BDFVJCRUMRFARN-KBXCAEBGSA-N 1 0 359.426 2.449 20 5 FEBDRO CN1CC[NH+](CC2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000153618214 544798807 /nfs/dbraw/zinc/79/88/07/544798807.db2.gz VBLMQXIFDRIZCF-UHFFFAOYSA-N 1 0 353.854 2.107 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000553275844 674250087 /nfs/dbraw/zinc/25/00/87/674250087.db2.gz VYPOOBCCKIKMNG-NSHDSACASA-N 1 0 350.448 2.037 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000179220871 327631921 /nfs/dbraw/zinc/63/19/21/327631921.db2.gz LRKIFWVYNVOHKO-CYBMUJFWSA-N 1 0 367.471 2.357 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000186224084 327952816 /nfs/dbraw/zinc/95/28/16/327952816.db2.gz QNOVQMIJFRZHLM-UHFFFAOYSA-N 1 0 372.429 2.236 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188255428 328076136 /nfs/dbraw/zinc/07/61/36/328076136.db2.gz GEMLHEYZHJJRFQ-UHFFFAOYSA-N 1 0 359.423 2.230 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188919234 328117973 /nfs/dbraw/zinc/11/79/73/328117973.db2.gz WITOYCHQKFMGAI-ZDUSSCGKSA-N 1 0 366.487 2.073 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189143667 328131216 /nfs/dbraw/zinc/13/12/16/328131216.db2.gz LMMXWGGMJCWEMY-UONOGXRCSA-N 1 0 355.460 2.135 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOCC(F)(F)C(F)F)C2)nc1 ZINC000189677609 328161470 /nfs/dbraw/zinc/16/14/70/328161470.db2.gz YRWPVSZLOTZNLA-SNVBAGLBSA-N 1 0 366.315 2.393 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893409 328174376 /nfs/dbraw/zinc/17/43/76/328174376.db2.gz IBGIPABDNUJMSL-CYBMUJFWSA-N 1 0 355.460 2.166 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000190174599 328192586 /nfs/dbraw/zinc/19/25/86/328192586.db2.gz CLLNTXRZCCYSNE-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190647792 328221963 /nfs/dbraw/zinc/22/19/63/328221963.db2.gz VNDAZSLXVKRUJN-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000191716839 328278460 /nfs/dbraw/zinc/27/84/60/328278460.db2.gz JKBXCQJYYFNZIW-INIZCTEOSA-N 1 0 371.441 2.452 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1C ZINC000191928339 328289075 /nfs/dbraw/zinc/28/90/75/328289075.db2.gz XLVUHWCUVXVSOK-UHFFFAOYSA-N 1 0 363.439 2.361 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193790179 328395317 /nfs/dbraw/zinc/39/53/17/328395317.db2.gz AXPBRKHWFRRBQP-QGZVFWFLSA-N 1 0 371.441 2.128 20 5 FEBDRO CC1CCN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000195221835 328462803 /nfs/dbraw/zinc/46/28/03/328462803.db2.gz AOFNELLYBAKFFD-IYBDPMFKSA-N 1 0 358.442 2.123 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000007187806 324354910 /nfs/dbraw/zinc/35/49/10/324354910.db2.gz CNHHFQNEDIUSSX-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])cc1OC ZINC000236885212 328497266 /nfs/dbraw/zinc/49/72/66/328497266.db2.gz PXPSEWRBFFZLGW-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237612583 328522129 /nfs/dbraw/zinc/52/21/29/328522129.db2.gz NMAWQDWKCLQSMF-LLVKDONJSA-N 1 0 361.851 2.225 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237726144 328526486 /nfs/dbraw/zinc/52/64/86/328526486.db2.gz HZCURLDLDZMILM-UHFFFAOYSA-N 1 0 373.862 2.401 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000088793813 325302692 /nfs/dbraw/zinc/30/26/92/325302692.db2.gz HWFPMQTXHRTIHV-UHFFFAOYSA-N 1 0 359.429 2.002 20 5 FEBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000090551638 325362722 /nfs/dbraw/zinc/36/27/22/325362722.db2.gz VUAIWEGUZSXFDD-KRWDZBQOSA-N 1 0 356.426 2.357 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000237987443 328536861 /nfs/dbraw/zinc/53/68/61/328536861.db2.gz VYWZTFLFYTWYHJ-UHFFFAOYSA-N 1 0 374.422 2.144 20 5 FEBDRO CC(C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000102331336 325490682 /nfs/dbraw/zinc/49/06/82/325490682.db2.gz FCELBAAVFOSYGI-INIZCTEOSA-N 1 0 365.478 2.399 20 5 FEBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104413440 325538640 /nfs/dbraw/zinc/53/86/40/325538640.db2.gz ISFYRGMPEMURSM-MRXNPFEDSA-N 1 0 357.414 2.337 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NCCC2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000110025682 325682067 /nfs/dbraw/zinc/68/20/67/325682067.db2.gz BVOQAYNXOSSVGS-UHFFFAOYSA-N 1 0 363.414 2.233 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](CCO)Cc1ccccc1 ZINC000117335513 326057363 /nfs/dbraw/zinc/05/73/63/326057363.db2.gz XHHGGXGSNGKXOV-UHFFFAOYSA-N 1 0 371.393 2.387 20 5 FEBDRO COCCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000117782705 326070263 /nfs/dbraw/zinc/07/02/63/326070263.db2.gz LQMSEIJMIYCSOX-UHFFFAOYSA-N 1 0 369.849 2.408 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117790592 326070687 /nfs/dbraw/zinc/07/06/87/326070687.db2.gz CNPQNEROZPSQSY-CQSZACIVSA-N 1 0 355.822 2.018 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCN(C2CC2)CC1 ZINC000119263213 326142628 /nfs/dbraw/zinc/14/26/28/326142628.db2.gz KOEWKGYJXXHIKJ-UHFFFAOYSA-N 1 0 354.204 2.278 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000120320165 326249712 /nfs/dbraw/zinc/24/97/12/326249712.db2.gz LZGMHFBLTWURDY-HNNXBMFYSA-N 1 0 364.446 2.426 20 5 FEBDRO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000120679487 326278291 /nfs/dbraw/zinc/27/82/91/326278291.db2.gz GDNDYMGDWZEINT-ZYHUDNBSSA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1cnccc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000121404196 326336107 /nfs/dbraw/zinc/33/61/07/326336107.db2.gz RJBUHJCQUKPTST-UHFFFAOYSA-N 1 0 369.381 2.288 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000121651699 326354762 /nfs/dbraw/zinc/35/47/62/326354762.db2.gz MCSXWDQWZDCQEN-GOOCMWNKSA-N 1 0 374.441 2.282 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000121775284 326366036 /nfs/dbraw/zinc/36/60/36/326366036.db2.gz KDRLHHSKEZBAOL-CYBMUJFWSA-N 1 0 371.397 2.279 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000121832307 326370641 /nfs/dbraw/zinc/37/06/41/326370641.db2.gz VDJHPDNXTNFNJR-ZIAGYGMSSA-N 1 0 362.430 2.139 20 5 FEBDRO CCC[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121998601 326379988 /nfs/dbraw/zinc/37/99/88/326379988.db2.gz OGDSZIINQMENAB-QGZVFWFLSA-N 1 0 351.447 2.406 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134850345 326632356 /nfs/dbraw/zinc/63/23/56/326632356.db2.gz HOPFBXUBQMEUSI-OAHLLOKOSA-N 1 0 355.822 2.431 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151629292 326687167 /nfs/dbraw/zinc/68/71/67/326687167.db2.gz YRDXLTKYSLYXRG-GFCCVEGCSA-N 1 0 373.862 2.355 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000151790262 326691048 /nfs/dbraw/zinc/69/10/48/326691048.db2.gz QSNHLFRTUBQABP-UHFFFAOYSA-N 1 0 355.460 2.302 20 5 FEBDRO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000153409284 326732126 /nfs/dbraw/zinc/73/21/26/326732126.db2.gz GTJDVHDSXRXCQT-OLZOCXBDSA-N 1 0 370.475 2.130 20 5 FEBDRO Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000160156638 326955354 /nfs/dbraw/zinc/95/53/54/326955354.db2.gz ANIAZRNJGVABGM-SJORKVTESA-N 1 0 361.442 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160315598 326961456 /nfs/dbraw/zinc/96/14/56/326961456.db2.gz RFRUIOQZRZWIIQ-ROUUACIJSA-N 1 0 361.442 2.401 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160430883 326965439 /nfs/dbraw/zinc/96/54/39/326965439.db2.gz QAJWOVLBKOWKKI-TXEJJXNPSA-N 1 0 368.231 2.253 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160528512 326968570 /nfs/dbraw/zinc/96/85/70/326968570.db2.gz KJTBGCOZNAFALE-COQIJWMOSA-N 1 0 373.453 2.492 20 5 FEBDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161609918 327004300 /nfs/dbraw/zinc/00/43/00/327004300.db2.gz KXHFURQZUSXFJE-CQSZACIVSA-N 1 0 373.413 2.150 20 5 FEBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H]([NH3+])c1ccccc1 ZINC000169188862 327088211 /nfs/dbraw/zinc/08/82/11/327088211.db2.gz OEAXFBGBXYONFS-YEWWUXTCSA-N 1 0 369.425 2.339 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000171368671 327134975 /nfs/dbraw/zinc/13/49/75/327134975.db2.gz SMZKQHQOIMRJHB-OAHLLOKOSA-N 1 0 359.430 2.475 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)o2)cc1 ZINC000171377345 327135689 /nfs/dbraw/zinc/13/56/89/327135689.db2.gz QYNINAVCVZQZSQ-CYBMUJFWSA-N 1 0 360.370 2.230 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000171454229 327140211 /nfs/dbraw/zinc/14/02/11/327140211.db2.gz BLEMQIIYHBTBNF-ZDUSSCGKSA-N 1 0 362.386 2.430 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171864886 327166623 /nfs/dbraw/zinc/16/66/23/327166623.db2.gz CYWRPPFJCJACMT-UHFFFAOYSA-N 1 0 370.409 2.041 20 5 FEBDRO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000172208076 327187175 /nfs/dbraw/zinc/18/71/75/327187175.db2.gz UZAKYAXGIKEXPK-AWEZNQCLSA-N 1 0 357.414 2.275 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@@H+](C2CC2)CC1 ZINC000172346377 327197097 /nfs/dbraw/zinc/19/70/97/327197097.db2.gz PJAJTTYJIMQKLM-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172802589 327219990 /nfs/dbraw/zinc/21/99/90/327219990.db2.gz HEVXMBLCCNGYQY-CYBMUJFWSA-N 1 0 352.822 2.357 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000173256113 327244292 /nfs/dbraw/zinc/24/42/92/327244292.db2.gz AZRWXCJAUOXMSN-UKRRQHHQSA-N 1 0 355.460 2.254 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173267795 327245406 /nfs/dbraw/zinc/24/54/06/327245406.db2.gz BEYHNCIJTFMTJK-TZMCWYRMSA-N 1 0 355.460 2.260 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000173609584 327270435 /nfs/dbraw/zinc/27/04/35/327270435.db2.gz SXUPROAIXQMPLZ-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO COc1ccccc1CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000173619743 327271440 /nfs/dbraw/zinc/27/14/40/327271440.db2.gz JPPPBZCTYIRYHA-SFHVURJKSA-N 1 0 374.441 2.116 20 5 FEBDRO C[NH+](C)CCn1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000173934205 327295687 /nfs/dbraw/zinc/29/56/87/327295687.db2.gz QTESCRWXCXBBFN-UHFFFAOYSA-N 1 0 374.445 2.497 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174020393 327302030 /nfs/dbraw/zinc/30/20/30/327302030.db2.gz QQLQBPXASCGNPI-NSHDSACASA-N 1 0 361.851 2.211 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000174021639 327302144 /nfs/dbraw/zinc/30/21/44/327302144.db2.gz KOUARBATTAQNFI-CYBMUJFWSA-N 1 0 355.460 2.120 20 5 FEBDRO CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000174027687 327302446 /nfs/dbraw/zinc/30/24/46/327302446.db2.gz FEEFKGJUPBBJKR-LLVKDONJSA-N 1 0 361.851 2.211 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175004375 327367274 /nfs/dbraw/zinc/36/72/74/327367274.db2.gz YVARICPIZZZAMI-LSDHHAIUSA-N 1 0 361.398 2.080 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175393900 327390589 /nfs/dbraw/zinc/39/05/89/327390589.db2.gz QSOYFHYKEJERLU-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248429870 328718010 /nfs/dbraw/zinc/71/80/10/328718010.db2.gz QZQCYQNHMDTJOP-KFWWJZLASA-N 1 0 369.487 2.381 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261768766 328818379 /nfs/dbraw/zinc/81/83/79/328818379.db2.gz WQRYOWFAHDAJDM-AWEZNQCLSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc(C(=O)N(CC[NH3+])CCc2ccccc2)cc([N+](=O)[O-])c1OC ZINC000261823278 328822223 /nfs/dbraw/zinc/82/22/23/328822223.db2.gz YDCIPYUIXSYEHL-UHFFFAOYSA-N 1 0 373.409 2.256 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1[N+](=O)[O-] ZINC000262203623 328850722 /nfs/dbraw/zinc/85/07/22/328850722.db2.gz KRRGPHZZNVWWNT-MRXNPFEDSA-N 1 0 361.423 2.069 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000264583929 329037818 /nfs/dbraw/zinc/03/78/18/329037818.db2.gz WGZDVUSTTFDHSZ-LBPRGKRZSA-N 1 0 350.375 2.191 20 5 FEBDRO CC[NH+](CC)CCCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000264932950 329075905 /nfs/dbraw/zinc/07/59/05/329075905.db2.gz SVDBKPXBBFVVNE-UHFFFAOYSA-N 1 0 353.419 2.464 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265558203 329138704 /nfs/dbraw/zinc/13/87/04/329138704.db2.gz RSRUVJLWFUZVML-ZDUSSCGKSA-N 1 0 353.854 2.250 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266072283 329187462 /nfs/dbraw/zinc/18/74/62/329187462.db2.gz CGBRAWJHOHHTFJ-CQSZACIVSA-N 1 0 365.405 2.447 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266340045 329213060 /nfs/dbraw/zinc/21/30/60/329213060.db2.gz AGVTWAMXNXOSCY-LBPRGKRZSA-N 1 0 351.403 2.026 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566480 329236733 /nfs/dbraw/zinc/23/67/33/329236733.db2.gz RLQDHQZYPFLRAC-UONOGXRCSA-N 1 0 363.414 2.311 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266607487 329241270 /nfs/dbraw/zinc/24/12/70/329241270.db2.gz AIXRVYFTNPPASQ-UHFFFAOYSA-N 1 0 361.442 2.241 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267153505 329297218 /nfs/dbraw/zinc/29/72/18/329297218.db2.gz HSAXJIIWDKXIQZ-OAHLLOKOSA-N 1 0 354.432 2.162 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267229046 329304434 /nfs/dbraw/zinc/30/44/34/329304434.db2.gz WBEIRBQPPHZKAW-INIZCTEOSA-N 1 0 352.460 2.174 20 5 FEBDRO CC[NH+](CC)CCN(CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267343261 329316883 /nfs/dbraw/zinc/31/68/83/329316883.db2.gz CUQNQGFOXCAJGT-UHFFFAOYSA-N 1 0 367.446 2.252 20 5 FEBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000268427425 329418628 /nfs/dbraw/zinc/41/86/28/329418628.db2.gz ZCUASOIWAYYQAD-UHFFFAOYSA-N 1 0 374.363 2.214 20 5 FEBDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268840509 329460638 /nfs/dbraw/zinc/46/06/38/329460638.db2.gz UDSPRIQBAZQUKW-MRXNPFEDSA-N 1 0 369.487 2.177 20 5 FEBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000269159454 329491609 /nfs/dbraw/zinc/49/16/09/329491609.db2.gz KRCQPUVSZOSKHI-UHFFFAOYSA-N 1 0 373.438 2.130 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])nc2)C1 ZINC000269390960 329514626 /nfs/dbraw/zinc/51/46/26/329514626.db2.gz AASSSWCLRHBGCI-AWEZNQCLSA-N 1 0 355.398 2.382 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272142787 329755447 /nfs/dbraw/zinc/75/54/47/329755447.db2.gz DSRXFTQWXSRTSE-SNVBAGLBSA-N 1 0 363.443 2.402 20 5 FEBDRO Cc1nn(C)c(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1[N+](=O)[O-] ZINC000274014369 329908903 /nfs/dbraw/zinc/90/89/03/329908903.db2.gz ZKQVSTXADMNLPT-UHFFFAOYSA-N 1 0 372.385 2.294 20 5 FEBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274591394 329963350 /nfs/dbraw/zinc/96/33/50/329963350.db2.gz JSAMAMLZVPIHIP-GFCCVEGCSA-N 1 0 367.446 2.437 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000284245667 330181895 /nfs/dbraw/zinc/18/18/95/330181895.db2.gz CJXBAOZAUMIBHT-INIZCTEOSA-N 1 0 353.444 2.161 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821024 330208014 /nfs/dbraw/zinc/20/80/14/330208014.db2.gz SLDRKOSWJANOFC-YJBOKZPZSA-N 1 0 371.441 2.160 20 5 FEBDRO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367059169 330212292 /nfs/dbraw/zinc/21/22/92/330212292.db2.gz CCVGQOKRQJLMJV-LRDDRELGSA-N 1 0 354.401 2.335 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000367217312 330231522 /nfs/dbraw/zinc/23/15/22/330231522.db2.gz LVXWBBMKWJGRME-ZTFGCOKTSA-N 1 0 358.442 2.259 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367219918 330231998 /nfs/dbraw/zinc/23/19/98/330231998.db2.gz PCXJTTXUPAOLQQ-HOTGVXAUSA-N 1 0 358.394 2.318 20 5 FEBDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000554051598 674301819 /nfs/dbraw/zinc/30/18/19/674301819.db2.gz ZOZUAMRFQUADNN-GJZGRUSLSA-N 1 0 355.460 2.287 20 5 FEBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156680641 545648084 /nfs/dbraw/zinc/64/80/84/545648084.db2.gz DMXQGUXKIJZCAJ-HNNXBMFYSA-N 1 0 362.430 2.032 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@@H+]1C ZINC000158423004 545859483 /nfs/dbraw/zinc/85/94/83/545859483.db2.gz LEVCSZOABGJFSX-KGLIPLIRSA-N 1 0 357.414 2.335 20 5 FEBDRO O=C(CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1cccnc1 ZINC000478443437 561166944 /nfs/dbraw/zinc/16/69/44/561166944.db2.gz KSNITOJYPFHRKN-UHFFFAOYSA-N 1 0 355.398 2.141 20 5 FEBDRO C[N@H+](CCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159689813 545973633 /nfs/dbraw/zinc/97/36/33/545973633.db2.gz ZYSLYCDYTUYFTL-UHFFFAOYSA-N 1 0 351.790 2.421 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000160514022 546048068 /nfs/dbraw/zinc/04/80/68/546048068.db2.gz GORDHLJBCJGYJH-CABCVRRESA-N 1 0 369.425 2.479 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000478726650 561173756 /nfs/dbraw/zinc/17/37/56/561173756.db2.gz USFVDQUIQVHMJL-CHWSQXEVSA-N 1 0 363.414 2.374 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000160788005 546072234 /nfs/dbraw/zinc/07/22/34/546072234.db2.gz SGZJPLCEQRXRTR-KRWDZBQOSA-N 1 0 369.425 2.062 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000161077522 546098771 /nfs/dbraw/zinc/09/87/71/546098771.db2.gz YLEWUPRQQCHRSC-QWHCGFSZSA-N 1 0 353.444 2.223 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639334 546167831 /nfs/dbraw/zinc/16/78/31/546167831.db2.gz KMMMUIWGZJRRSJ-CQSZACIVSA-N 1 0 362.430 2.248 20 5 FEBDRO CC(C)[N@H+](C)CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176464683 546450084 /nfs/dbraw/zinc/45/00/84/546450084.db2.gz VJBADECNIUYICS-UHFFFAOYSA-N 1 0 364.446 2.488 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1OC ZINC000177205910 546570432 /nfs/dbraw/zinc/57/04/32/546570432.db2.gz DVBYBEWPPVXCAJ-NEPJUHHUSA-N 1 0 363.414 2.357 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481056118 561223876 /nfs/dbraw/zinc/22/38/76/561223876.db2.gz IKVNJJWVTPXUKX-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CC[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178264851 546765710 /nfs/dbraw/zinc/76/57/10/546765710.db2.gz SPYKNCQEFSBTMW-INIZCTEOSA-N 1 0 355.460 2.307 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000481331684 561230901 /nfs/dbraw/zinc/23/09/01/561230901.db2.gz QPIVAPGAPPXNGB-MRXNPFEDSA-N 1 0 351.403 2.289 20 5 FEBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2=O)c1 ZINC000181397896 547307866 /nfs/dbraw/zinc/30/78/66/547307866.db2.gz CBVKOCULLOCWFP-CQSZACIVSA-N 1 0 370.409 2.234 20 5 FEBDRO O=C(CCN1CC[C@H](C[NH+]2CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181714087 547365916 /nfs/dbraw/zinc/36/59/16/547365916.db2.gz QAVYUDKFDYKFDC-CQSZACIVSA-N 1 0 364.421 2.480 20 5 FEBDRO CO[C@]1(C)C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181934895 547408998 /nfs/dbraw/zinc/40/89/98/547408998.db2.gz PJQJEJLIHGQGQX-QANKJYHBSA-N 1 0 352.431 2.470 20 5 FEBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182335711 547475005 /nfs/dbraw/zinc/47/50/05/547475005.db2.gz ZPVVXPPDAMAYKU-RBOXIYTFSA-N 1 0 351.403 2.478 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)cc2)c(C)c1[N+](=O)[O-] ZINC000484048236 561290473 /nfs/dbraw/zinc/29/04/73/561290473.db2.gz VLQDEAJWGRICMI-SJKOYZFVSA-N 1 0 371.441 2.266 20 5 FEBDRO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000183295852 547635427 /nfs/dbraw/zinc/63/54/27/547635427.db2.gz KVCOKEAHOCHMPV-LBPRGKRZSA-N 1 0 359.423 2.277 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000484880122 561307660 /nfs/dbraw/zinc/30/76/60/561307660.db2.gz WZKDAQLBIDVLSG-XHSDSOJGSA-N 1 0 352.431 2.472 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184718158 547869318 /nfs/dbraw/zinc/86/93/18/547869318.db2.gz XVVXRFZTKQOGHM-HNNXBMFYSA-N 1 0 369.487 2.382 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000186099773 548084368 /nfs/dbraw/zinc/08/43/68/548084368.db2.gz WDHLFSNTVKAPGL-GOSISDBHSA-N 1 0 357.410 2.090 20 5 FEBDRO CSc1ccc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186934239 548221972 /nfs/dbraw/zinc/22/19/72/548221972.db2.gz GMIFSQDCUBPWTM-LBPRGKRZSA-N 1 0 367.471 2.234 20 5 FEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000192813132 548373634 /nfs/dbraw/zinc/37/36/34/548373634.db2.gz HXXYOSGPNNAMIS-GFCCVEGCSA-N 1 0 354.370 2.317 20 5 FEBDRO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000193551564 548389589 /nfs/dbraw/zinc/38/95/89/548389589.db2.gz LWPQEDBYKKUVHV-OAHLLOKOSA-N 1 0 350.419 2.382 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486488172 561348793 /nfs/dbraw/zinc/34/87/93/561348793.db2.gz NNUBMDTZFVRLKB-CYBMUJFWSA-N 1 0 373.413 2.334 20 5 FEBDRO Nc1c(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000194746413 548525675 /nfs/dbraw/zinc/52/56/75/548525675.db2.gz JQPYROALLMUKSC-HNNXBMFYSA-N 1 0 354.410 2.429 20 5 FEBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236622979 548768756 /nfs/dbraw/zinc/76/87/56/548768756.db2.gz WMOYYTFEUADBHL-MRXNPFEDSA-N 1 0 359.430 2.441 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000237200527 548807275 /nfs/dbraw/zinc/80/72/75/548807275.db2.gz ZFODVYVCKBZEKD-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1SC ZINC000237252833 548812246 /nfs/dbraw/zinc/81/22/46/548812246.db2.gz ZRSUXCDSKWLRRS-ZACCUICWSA-N 1 0 351.428 2.338 20 5 FEBDRO [NH3+][C@@H]1CCN(C(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000237929798 548864939 /nfs/dbraw/zinc/86/49/39/548864939.db2.gz YWSPQODPQCWLNG-MRVPVSSYSA-N 1 0 370.196 2.261 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000487819232 561376668 /nfs/dbraw/zinc/37/66/68/561376668.db2.gz PMDAWOQOAURSRY-ZDUSSCGKSA-N 1 0 352.822 2.327 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000245601239 548954490 /nfs/dbraw/zinc/95/44/90/548954490.db2.gz VRJWSNUPQXQUFR-JKSUJKDBSA-N 1 0 373.384 2.099 20 5 FEBDRO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000245896822 549013527 /nfs/dbraw/zinc/01/35/27/549013527.db2.gz PIQFIJPDFBUBGT-JKSUJKDBSA-N 1 0 373.384 2.099 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000246085927 549049052 /nfs/dbraw/zinc/04/90/52/549049052.db2.gz GGFXVZRTQNGLRK-IUODEOHRSA-N 1 0 355.460 2.172 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246118453 549056069 /nfs/dbraw/zinc/05/60/69/549056069.db2.gz IWENRHNRMHNGFS-CMPLNLGQSA-N 1 0 361.851 2.209 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246219935 549082001 /nfs/dbraw/zinc/08/20/01/549082001.db2.gz PUSHEBDUYNYXON-GXTWGEPZSA-N 1 0 355.460 2.315 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246460101 549138150 /nfs/dbraw/zinc/13/81/50/549138150.db2.gz JDXYOXVWOWMLEP-SLEUVZQESA-N 1 0 351.403 2.023 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246478368 549141348 /nfs/dbraw/zinc/14/13/48/549141348.db2.gz WOHPZSBDZABNIV-RYUDHWBXSA-N 1 0 373.862 2.496 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246733797 549199181 /nfs/dbraw/zinc/19/91/81/549199181.db2.gz OVVDSQWRNRZLHM-ZNMIVQPWSA-N 1 0 369.487 2.381 20 5 FEBDRO Cc1ccc(NC(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000488984219 561401055 /nfs/dbraw/zinc/40/10/55/561401055.db2.gz PLUJQBNRWXJHHP-UHFFFAOYSA-N 1 0 358.402 2.160 20 5 FEBDRO CCOC(=O)[C@H](CC(C)C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248414366 549433156 /nfs/dbraw/zinc/43/31/56/549433156.db2.gz GVYGBZMQNNNQQL-HIFRSBDPSA-N 1 0 350.419 2.454 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCO[C@@H]1C ZINC000489472062 561412385 /nfs/dbraw/zinc/41/23/85/561412385.db2.gz BVCZWGZEUTYOAJ-PBHICJAKSA-N 1 0 365.430 2.358 20 5 FEBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249065809 549545322 /nfs/dbraw/zinc/54/53/22/549545322.db2.gz KDTRXIGZLUGBJS-SJLPKXTDSA-N 1 0 352.431 2.208 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000249203296 549568404 /nfs/dbraw/zinc/56/84/04/549568404.db2.gz ANLXBUBTRLRTAK-CABCVRRESA-N 1 0 374.441 2.179 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251683964 549651386 /nfs/dbraw/zinc/65/13/86/549651386.db2.gz JCWAGBWQBWIZIU-MLGOLLRUSA-N 1 0 351.403 2.289 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000251849688 549655894 /nfs/dbraw/zinc/65/58/94/549655894.db2.gz NKMFZKKUCSPQEG-MLGOLLRUSA-N 1 0 351.403 2.289 20 5 FEBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262450142 549820645 /nfs/dbraw/zinc/82/06/45/549820645.db2.gz VTMWEZWSXMZLRV-OAHLLOKOSA-N 1 0 360.458 2.012 20 5 FEBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000262569413 549829213 /nfs/dbraw/zinc/82/92/13/549829213.db2.gz GFWCVYDWVZOQQR-ZYHUDNBSSA-N 1 0 370.247 2.486 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000262568203 549829227 /nfs/dbraw/zinc/82/92/27/549829227.db2.gz AHZDOCWBOHUGBG-SNVBAGLBSA-N 1 0 361.320 2.217 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264154459 549985386 /nfs/dbraw/zinc/98/53/86/549985386.db2.gz ZYWQBWYFYIWYSO-UHFFFAOYSA-N 1 0 352.435 2.093 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000491143461 561443296 /nfs/dbraw/zinc/44/32/96/561443296.db2.gz YQZDRRLJLITQIC-KRWDZBQOSA-N 1 0 356.426 2.334 20 5 FEBDRO CC(=O)NC1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000268833521 550121398 /nfs/dbraw/zinc/12/13/98/550121398.db2.gz KSWSQUCIVYREPM-LRVUVFPRSA-N 1 0 362.430 2.349 20 5 FEBDRO CCC[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031765 550146365 /nfs/dbraw/zinc/14/63/65/550146365.db2.gz RXQPKTCQQIPZEA-ZBFHGGJFSA-N 1 0 355.460 2.450 20 5 FEBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000493537553 561456651 /nfs/dbraw/zinc/45/66/51/561456651.db2.gz WDELKDZAYUQQNC-XJKSGUPXSA-N 1 0 370.409 2.074 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1 ZINC000270407400 550269935 /nfs/dbraw/zinc/26/99/35/550269935.db2.gz AKBODNKMVGAJGA-KGLIPLIRSA-N 1 0 355.485 2.434 20 5 FEBDRO CC[NH+]1CCN(c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])c(C)c2)CC1 ZINC000270749276 550303436 /nfs/dbraw/zinc/30/34/36/550303436.db2.gz IDQMZHAXRAVRFZ-UHFFFAOYSA-N 1 0 372.429 2.031 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271149190 550345679 /nfs/dbraw/zinc/34/56/79/550345679.db2.gz XCYPESKFVKZXSU-INIZCTEOSA-N 1 0 367.471 2.027 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000272072540 550420526 /nfs/dbraw/zinc/42/05/26/550420526.db2.gz CIHVLFMVINENCC-UHFFFAOYSA-N 1 0 359.835 2.097 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272287617 550434625 /nfs/dbraw/zinc/43/46/25/550434625.db2.gz UYMDHVZCULTBQV-MFKMUULPSA-N 1 0 361.427 2.156 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000274463533 550538981 /nfs/dbraw/zinc/53/89/81/550538981.db2.gz KGPRSMSETCZYRT-LBPRGKRZSA-N 1 0 358.398 2.451 20 5 FEBDRO CC[NH+]1CCN(c2cccc(NC(=O)c3n[nH]c(C)c3[N+](=O)[O-])c2)CC1 ZINC000274569531 550544210 /nfs/dbraw/zinc/54/42/10/550544210.db2.gz FJBLWRAIARYXNL-UHFFFAOYSA-N 1 0 358.402 2.021 20 5 FEBDRO COc1ccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000276798236 550597106 /nfs/dbraw/zinc/59/71/06/550597106.db2.gz YUERQBMGYQWPCH-UHFFFAOYSA-N 1 0 355.394 2.222 20 5 FEBDRO CCOc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000276965969 550616379 /nfs/dbraw/zinc/61/63/79/550616379.db2.gz WFWBQRQCZMFIQM-UHFFFAOYSA-N 1 0 364.490 2.451 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000277115430 550633834 /nfs/dbraw/zinc/63/38/34/550633834.db2.gz XXPLCEFNYGRVEV-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701415 550703503 /nfs/dbraw/zinc/70/35/03/550703503.db2.gz IBJILPPEYITTIE-AWEZNQCLSA-N 1 0 367.446 2.203 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000277889209 550725774 /nfs/dbraw/zinc/72/57/74/550725774.db2.gz QIWAKUURIINJMO-UHFFFAOYSA-N 1 0 370.409 2.393 20 5 FEBDRO CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000277927806 550730094 /nfs/dbraw/zinc/73/00/94/550730094.db2.gz YMXWCUANFSZZHJ-UHFFFAOYSA-N 1 0 359.386 2.269 20 5 FEBDRO CCc1[nH]nc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1[N+](=O)[O-] ZINC000277987496 550736165 /nfs/dbraw/zinc/73/61/65/550736165.db2.gz MQTNKKIMNQMFHP-UHFFFAOYSA-N 1 0 372.429 2.193 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086363 550747545 /nfs/dbraw/zinc/74/75/45/550747545.db2.gz PQACPZJHHAWQFA-RYUDHWBXSA-N 1 0 360.418 2.143 20 5 FEBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000278376553 550778913 /nfs/dbraw/zinc/77/89/13/550778913.db2.gz LGDRSHCRZYDHFQ-NSHDSACASA-N 1 0 360.336 2.167 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799870 550823531 /nfs/dbraw/zinc/82/35/31/550823531.db2.gz XOQSTOYLTMVSHF-BLLLJJGKSA-N 1 0 372.429 2.097 20 5 FEBDRO CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ncnn1CC(F)F ZINC000279028033 550848103 /nfs/dbraw/zinc/84/81/03/550848103.db2.gz WMGNBWZPRYZWLS-UHFFFAOYSA-N 1 0 355.345 2.352 20 5 FEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000279113270 550855256 /nfs/dbraw/zinc/85/52/56/550855256.db2.gz SWZITRSTBDWLOR-GDBMZVCRSA-N 1 0 351.403 2.015 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279119780 550856114 /nfs/dbraw/zinc/85/61/14/550856114.db2.gz ZOWGDJUDCMMJAH-AWEZNQCLSA-N 1 0 357.414 2.148 20 5 FEBDRO C[C@@H]1C[C@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456385 561488411 /nfs/dbraw/zinc/48/84/11/561488411.db2.gz AJVSFHUEHLRWRW-HIFRSBDPSA-N 1 0 357.414 2.348 20 5 FEBDRO C[C@H](CN1CCOCC1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833411 550933849 /nfs/dbraw/zinc/93/38/49/550933849.db2.gz ZUAQYFTXKHMSGT-CQSZACIVSA-N 1 0 360.414 2.402 20 5 FEBDRO CS[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000495657239 561490057 /nfs/dbraw/zinc/49/00/57/561490057.db2.gz SSVBEMVFRBSPCM-CVEARBPZSA-N 1 0 362.455 2.054 20 5 FEBDRO O=C(NCCN1CC=CCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000280382739 550987783 /nfs/dbraw/zinc/98/77/83/550987783.db2.gz ZZNWQPQZNDMSNO-UHFFFAOYSA-N 1 0 372.194 2.488 20 5 FEBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1 ZINC000280496220 551000461 /nfs/dbraw/zinc/00/04/61/551000461.db2.gz QNJTXWVKEAJHGT-UHFFFAOYSA-N 1 0 350.371 2.427 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000281933644 551159438 /nfs/dbraw/zinc/15/94/38/551159438.db2.gz DMNTWTZKQUCKOE-INIZCTEOSA-N 1 0 363.414 2.481 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465681 551233065 /nfs/dbraw/zinc/23/30/65/551233065.db2.gz NIZSYUVDOHATOL-DXEWXGHRSA-N 1 0 364.398 2.157 20 5 FEBDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506760 551239124 /nfs/dbraw/zinc/23/91/24/551239124.db2.gz ROCLMOAQJKZRIH-YYQUZTFQSA-N 1 0 364.398 2.157 20 5 FEBDRO C[NH+](C)CCOc1cc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000497627295 561505095 /nfs/dbraw/zinc/50/50/95/561505095.db2.gz HZTJJAIBPLZIHX-UHFFFAOYSA-N 1 0 370.369 2.059 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000283112062 551313522 /nfs/dbraw/zinc/31/35/22/551313522.db2.gz MJWMMZRJJFOGIL-RYUDHWBXSA-N 1 0 367.402 2.109 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000497801933 561509162 /nfs/dbraw/zinc/50/91/62/561509162.db2.gz DZUDCVXMJGIVTM-DOTOQJQBSA-N 1 0 365.393 2.299 20 5 FEBDRO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283410921 551361886 /nfs/dbraw/zinc/36/18/86/551361886.db2.gz FJVZEWJOODMZLI-GXTWGEPZSA-N 1 0 353.394 2.097 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498227590 561519391 /nfs/dbraw/zinc/51/93/91/561519391.db2.gz LBQWSPQGOPSQMG-STQMWFEESA-N 1 0 350.419 2.228 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000498398430 561524004 /nfs/dbraw/zinc/52/40/04/561524004.db2.gz DQIJABVNDTVLOS-HUUCEWRRSA-N 1 0 365.478 2.364 20 5 FEBDRO COc1ccc(CSCC(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000498638540 561530744 /nfs/dbraw/zinc/53/07/44/561530744.db2.gz MPTYBRPIKHJNFR-CYBMUJFWSA-N 1 0 353.444 2.047 20 5 FEBDRO C[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285319293 551737167 /nfs/dbraw/zinc/73/71/67/551737167.db2.gz RDMKOXGZWQUQPF-KADIJHKTSA-N 1 0 365.817 2.193 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285456634 551759602 /nfs/dbraw/zinc/75/96/02/551759602.db2.gz YXXFXUVKNMFRAD-STQMWFEESA-N 1 0 371.434 2.290 20 5 FEBDRO CC(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCN(C)CC1 ZINC000286013109 551838448 /nfs/dbraw/zinc/83/84/48/551838448.db2.gz FEWXQYQZJVSGPK-ZDUSSCGKSA-N 1 0 364.475 2.283 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000286228394 551863577 /nfs/dbraw/zinc/86/35/77/551863577.db2.gz HJVCWEKDDZLDGR-UHFFFAOYSA-N 1 0 363.443 2.148 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000286616920 551906709 /nfs/dbraw/zinc/90/67/09/551906709.db2.gz RVEALCTVWJEQCQ-CMPLNLGQSA-N 1 0 363.292 2.496 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954766 551944442 /nfs/dbraw/zinc/94/44/42/551944442.db2.gz HOZLICXRFSCCOM-QWHCGFSZSA-N 1 0 356.444 2.469 20 5 FEBDRO CCC[C@@]1(CO)CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723520 552200962 /nfs/dbraw/zinc/20/09/62/552200962.db2.gz GALNQQRANQOJQV-FZKQIMNGSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000500102474 561566041 /nfs/dbraw/zinc/56/60/41/561566041.db2.gz MZIFSHGXIFOOMQ-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO O=C(CC[N@H+]1CCC[C@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500143482 561566812 /nfs/dbraw/zinc/56/68/12/561566812.db2.gz YTCJUPKVMRIYJG-CQSZACIVSA-N 1 0 361.320 2.313 20 5 FEBDRO CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)COC1 ZINC000289493758 552330745 /nfs/dbraw/zinc/33/07/45/552330745.db2.gz LFPSJLWODIJTGG-UHFFFAOYSA-N 1 0 362.167 2.326 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000290604933 552505582 /nfs/dbraw/zinc/50/55/82/552505582.db2.gz HNTAKJWYWPMAOO-QGZVFWFLSA-N 1 0 361.423 2.409 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000290670154 552516622 /nfs/dbraw/zinc/51/66/22/552516622.db2.gz SKEIVJQFOFTBTE-CYBMUJFWSA-N 1 0 360.418 2.026 20 5 FEBDRO Cc1ccc([C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000290685656 552519517 /nfs/dbraw/zinc/51/95/17/552519517.db2.gz SYCKUUDKHUSBIV-ZDUSSCGKSA-N 1 0 359.386 2.239 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000291232685 552603827 /nfs/dbraw/zinc/60/38/27/552603827.db2.gz ITTFUMLGCAEUHE-JSGCOSHPSA-N 1 0 362.430 2.037 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](CC)CC)cc1OC ZINC000501257638 561593507 /nfs/dbraw/zinc/59/35/07/561593507.db2.gz RYEAYKMULOLPGL-LBPRGKRZSA-N 1 0 353.419 2.462 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000291590312 552640774 /nfs/dbraw/zinc/64/07/74/552640774.db2.gz PWQVGEIKGVRQNT-LBPRGKRZSA-N 1 0 362.434 2.391 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000291891733 552672256 /nfs/dbraw/zinc/67/22/56/552672256.db2.gz ICTLIXRPWHKGKJ-OAHLLOKOSA-N 1 0 357.414 2.350 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291984703 552681711 /nfs/dbraw/zinc/68/17/11/552681711.db2.gz ZJDNHJRMHPMQHH-SWLSCSKDSA-N 1 0 357.414 2.273 20 5 FEBDRO C[C@H]1C[C@@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000501477705 561598240 /nfs/dbraw/zinc/59/82/40/561598240.db2.gz UDEHGCRXQBJVQF-GOEBONIOSA-N 1 0 371.441 2.359 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293501408 552830206 /nfs/dbraw/zinc/83/02/06/552830206.db2.gz SNLQGTVPFVZWHJ-DGCLKSJQSA-N 1 0 353.806 2.228 20 5 FEBDRO C[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C[NH+](C)C ZINC000294349576 552899308 /nfs/dbraw/zinc/89/93/08/552899308.db2.gz UJGDTQNASPKMCT-HNNXBMFYSA-N 1 0 351.450 2.469 20 5 FEBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501778863 561605298 /nfs/dbraw/zinc/60/52/98/561605298.db2.gz WPEISYRFHCLSHM-DLBZAZTESA-N 1 0 370.453 2.351 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294997832 552950020 /nfs/dbraw/zinc/95/00/20/552950020.db2.gz OYQJDEHNTAHIGS-UHFFFAOYSA-N 1 0 363.336 2.312 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295116395 552960370 /nfs/dbraw/zinc/96/03/70/552960370.db2.gz LWNYQDFLIKANKF-GFCCVEGCSA-N 1 0 353.394 2.450 20 5 FEBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000295303091 552984099 /nfs/dbraw/zinc/98/40/99/552984099.db2.gz MLBIPFPSIRZUCS-GXTWGEPZSA-N 1 0 353.423 2.026 20 5 FEBDRO CC(C)(C)c1ncc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000296046427 553095535 /nfs/dbraw/zinc/09/55/35/553095535.db2.gz PFSYFKBEUDYSLK-UHFFFAOYSA-N 1 0 356.430 2.400 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1OCc1ccccc1 ZINC000296087941 553102968 /nfs/dbraw/zinc/10/29/68/553102968.db2.gz HJDJEVVFXOPIAL-KSZLIROESA-N 1 0 374.441 2.126 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296145219 553111908 /nfs/dbraw/zinc/11/19/08/553111908.db2.gz SAHIQPRRSNFVGO-CYBMUJFWSA-N 1 0 365.430 2.415 20 5 FEBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000296158789 553114231 /nfs/dbraw/zinc/11/42/31/553114231.db2.gz YNOPJZDHOWXXSB-UHFFFAOYSA-N 1 0 353.444 2.427 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000296284732 553135262 /nfs/dbraw/zinc/13/52/62/553135262.db2.gz YYNPOGMITXSEBZ-CYBMUJFWSA-N 1 0 352.410 2.479 20 5 FEBDRO Nc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297344636 553281214 /nfs/dbraw/zinc/28/12/14/553281214.db2.gz YQDZWOJLOAQWIR-GOEBONIOSA-N 1 0 358.373 2.273 20 5 FEBDRO Cc1cnccc1NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000297863269 553349220 /nfs/dbraw/zinc/34/92/20/553349220.db2.gz ULQXZXWHVBJXRB-UHFFFAOYSA-N 1 0 369.381 2.288 20 5 FEBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000297861667 553349247 /nfs/dbraw/zinc/34/92/47/553349247.db2.gz IACQJTRUMCDOGD-GDBMZVCRSA-N 1 0 364.446 2.110 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000298164802 553392724 /nfs/dbraw/zinc/39/27/24/553392724.db2.gz PZKPORBDCNYOSE-CQSZACIVSA-N 1 0 362.430 2.078 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000298276694 553407037 /nfs/dbraw/zinc/40/70/37/553407037.db2.gz WXBSPYIBMPLYET-MRXNPFEDSA-N 1 0 362.430 2.078 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000298532078 553436957 /nfs/dbraw/zinc/43/69/57/553436957.db2.gz WMXREGSZQDKGDV-ZDUSSCGKSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000298633936 553452360 /nfs/dbraw/zinc/45/23/60/553452360.db2.gz WCTWTLFABAKGRJ-CYBMUJFWSA-N 1 0 365.430 2.415 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000298815423 553476292 /nfs/dbraw/zinc/47/62/92/553476292.db2.gz AYYBZTCMSFXVLB-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000298876945 553483892 /nfs/dbraw/zinc/48/38/92/553483892.db2.gz QATYTLNOOIDZPG-RBSFLKMASA-N 1 0 364.446 2.454 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000298969709 553496706 /nfs/dbraw/zinc/49/67/06/553496706.db2.gz NWOGMPBFFXXIAA-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000299022577 553504815 /nfs/dbraw/zinc/50/48/15/553504815.db2.gz WSXSPKWKVIMOBM-UHFFFAOYSA-N 1 0 374.441 2.319 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCN(C)CC1 ZINC000299075577 553512136 /nfs/dbraw/zinc/51/21/36/553512136.db2.gz XJCWNZATGQQEFO-QGZVFWFLSA-N 1 0 373.457 2.078 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299188654 553527239 /nfs/dbraw/zinc/52/72/39/553527239.db2.gz CPBCTUSJMWKLNI-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299310058 553545994 /nfs/dbraw/zinc/54/59/94/553545994.db2.gz CJWHLFPWOBTLRQ-UHFFFAOYSA-N 1 0 352.341 2.405 20 5 FEBDRO O=C(c1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000301092006 553621359 /nfs/dbraw/zinc/62/13/59/553621359.db2.gz IJVZPUXHKXTIES-UHFFFAOYSA-N 1 0 358.442 2.363 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009817 553697920 /nfs/dbraw/zinc/69/79/20/553697920.db2.gz VVGPJABDWCNNHL-HIFRSBDPSA-N 1 0 367.413 2.355 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059571 553701158 /nfs/dbraw/zinc/70/11/58/553701158.db2.gz BCPPOONAHBZHFK-XQQFMLRXSA-N 1 0 370.475 2.021 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000324980814 553774275 /nfs/dbraw/zinc/77/42/75/553774275.db2.gz RFDXWQSVQGNYIX-ZIAGYGMSSA-N 1 0 353.444 2.198 20 5 FEBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594341 561734604 /nfs/dbraw/zinc/73/46/04/561734604.db2.gz ABRPZGYPHLPKAD-TZMCWYRMSA-N 1 0 356.382 2.261 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000331832363 554326796 /nfs/dbraw/zinc/32/67/96/554326796.db2.gz ACTJISHCCKLUGZ-ZFWWWQNUSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000331836695 554327467 /nfs/dbraw/zinc/32/74/67/554327467.db2.gz AXAHBXCKYJMTRW-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1C ZINC000331908200 554344727 /nfs/dbraw/zinc/34/47/27/554344727.db2.gz MPYZISQFNIRFLP-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1C ZINC000332089433 554378194 /nfs/dbraw/zinc/37/81/94/554378194.db2.gz UQQJZFJWONSMAO-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000332107841 554381886 /nfs/dbraw/zinc/38/18/86/554381886.db2.gz ZYDHARYODNMEIT-HOCLYGCPSA-N 1 0 365.455 2.255 20 5 FEBDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332206995 554401227 /nfs/dbraw/zinc/40/12/27/554401227.db2.gz FECNJJFHGXSKAY-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CCN1C1CC[NH+](C)CC1 ZINC000332383324 554435765 /nfs/dbraw/zinc/43/57/65/554435765.db2.gz HTTKZOSWXNAUJT-AWEZNQCLSA-N 1 0 350.438 2.334 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592787 554478772 /nfs/dbraw/zinc/47/87/72/554478772.db2.gz NYLYZRINDQYGQD-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000510523271 561837666 /nfs/dbraw/zinc/83/76/66/561837666.db2.gz LLPSPFZUMUCXAA-SCLBCKFNSA-N 1 0 359.430 2.216 20 5 FEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000510541698 561838245 /nfs/dbraw/zinc/83/82/45/561838245.db2.gz TVCRGQUHQZHJBQ-RDTXWAMCSA-N 1 0 359.430 2.297 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000510980379 561852916 /nfs/dbraw/zinc/85/29/16/561852916.db2.gz FGPPXOWAQGWCIY-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO COc1cc[nH+]c(N2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000511205165 561861355 /nfs/dbraw/zinc/86/13/55/561861355.db2.gz XPCSACMHGUAVDO-UHFFFAOYSA-N 1 0 371.397 2.030 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000361297306 554915177 /nfs/dbraw/zinc/91/51/77/554915177.db2.gz DZWMXBRIFZZNOH-OAHLLOKOSA-N 1 0 363.462 2.294 20 5 FEBDRO COCc1nccc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781596 554987934 /nfs/dbraw/zinc/98/79/34/554987934.db2.gz NRCKLMNESUFLSO-QAPCUYQASA-N 1 0 372.425 2.444 20 5 FEBDRO COc1ccccc1C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362901196 554997336 /nfs/dbraw/zinc/99/73/36/554997336.db2.gz JEMHPXZOVVLOSW-CRAIPNDOSA-N 1 0 374.441 2.116 20 5 FEBDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000363263705 555067355 /nfs/dbraw/zinc/06/73/55/555067355.db2.gz AMKBXRQAQQJHTH-PVUWLOKVSA-N 1 0 369.425 2.094 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363558483 555136450 /nfs/dbraw/zinc/13/64/50/555136450.db2.gz SAKFQFUUDMHFTR-CWRNSKLLSA-N 1 0 365.455 2.008 20 5 FEBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cn1 ZINC000363590591 555143156 /nfs/dbraw/zinc/14/31/56/555143156.db2.gz VPASWBQCTKKTMQ-CYBMUJFWSA-N 1 0 368.397 2.443 20 5 FEBDRO Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000363829066 555194670 /nfs/dbraw/zinc/19/46/70/555194670.db2.gz SSBGEYRALAGTEH-CVEARBPZSA-N 1 0 362.430 2.356 20 5 FEBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873343 555203914 /nfs/dbraw/zinc/20/39/14/555203914.db2.gz CIMISDWFAHGHTE-GUYCJALGSA-N 1 0 369.425 2.212 20 5 FEBDRO COCC[C@H]1CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138651 555257097 /nfs/dbraw/zinc/25/70/97/555257097.db2.gz KIWLXWSLAPYLJM-WBVHZDCISA-N 1 0 352.431 2.473 20 5 FEBDRO COc1ccc(OCC[N@@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000364259799 555280058 /nfs/dbraw/zinc/28/00/58/555280058.db2.gz IFKFUQDOQHDCMQ-UHFFFAOYSA-N 1 0 366.414 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556374 555337655 /nfs/dbraw/zinc/33/76/55/555337655.db2.gz JBMBAKZYUVJMFT-PVAVHDDUSA-N 1 0 361.442 2.143 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512806452 561916155 /nfs/dbraw/zinc/91/61/55/561916155.db2.gz WCHZPEJJKFYCIY-LLVKDONJSA-N 1 0 373.356 2.493 20 5 FEBDRO Cn1cc(-c2cc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)on2)cn1 ZINC000365120854 555489963 /nfs/dbraw/zinc/48/99/63/555489963.db2.gz HSQRFXMMUOIPTP-UHFFFAOYSA-N 1 0 357.374 2.017 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365265804 555526831 /nfs/dbraw/zinc/52/68/31/555526831.db2.gz JFFZQHCNFNYONQ-VPWXQRGCSA-N 1 0 372.421 2.220 20 5 FEBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCOCC(F)(F)C(F)F)C2)c1 ZINC000365286291 555532646 /nfs/dbraw/zinc/53/26/46/555532646.db2.gz CTPDEFOOBWUZRT-JTQLQIEISA-N 1 0 354.304 2.345 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000365357459 555552365 /nfs/dbraw/zinc/55/23/65/555552365.db2.gz QCQAXOZZRWVYFQ-ZWNOBZJWSA-N 1 0 368.231 2.490 20 5 FEBDRO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000365482109 555587431 /nfs/dbraw/zinc/58/74/31/555587431.db2.gz KUQHNYWCDINDBF-OAHLLOKOSA-N 1 0 373.413 2.244 20 5 FEBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074747 555743662 /nfs/dbraw/zinc/74/36/62/555743662.db2.gz UGBNMYONQFYFOX-QAPCUYQASA-N 1 0 360.414 2.214 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc([N+](=O)[O-])c1F ZINC000366493326 555859805 /nfs/dbraw/zinc/85/98/05/555859805.db2.gz WDNBCNXZZBHSNR-TZMCWYRMSA-N 1 0 371.434 2.195 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCO[C@H]3CCCCO3)C2)nc1 ZINC000514082740 561960024 /nfs/dbraw/zinc/96/00/24/561960024.db2.gz JJHKVFXSVKODIZ-PBHICJAKSA-N 1 0 350.419 2.409 20 5 FEBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CCOC3=O)CC2)cccc1[N+](=O)[O-] ZINC000366685783 555908515 /nfs/dbraw/zinc/90/85/15/555908515.db2.gz WSXMFVFWCMODNF-UHFFFAOYSA-N 1 0 361.398 2.261 20 5 FEBDRO Cc1c(CC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000366774088 555930425 /nfs/dbraw/zinc/93/04/25/555930425.db2.gz RTLIUGPKDAZBDU-UHFFFAOYSA-N 1 0 361.442 2.159 20 5 FEBDRO Cc1cccc(C(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000366920010 555970057 /nfs/dbraw/zinc/97/00/57/555970057.db2.gz QZZCPKHSXGYUBW-UHFFFAOYSA-N 1 0 361.442 2.478 20 5 FEBDRO CC(=O)c1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437465 556048514 /nfs/dbraw/zinc/04/85/14/556048514.db2.gz WMZJWYIWJSJYHU-KBXCAEBGSA-N 1 0 360.458 2.260 20 5 FEBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000367612710 556096934 /nfs/dbraw/zinc/09/69/34/556096934.db2.gz QLGLPNAPXWODHB-HNNXBMFYSA-N 1 0 357.414 2.031 20 5 FEBDRO CC(C)[NH2+]CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000514877627 561984616 /nfs/dbraw/zinc/98/46/16/561984616.db2.gz XVXXSRALVKMTEU-CQSZACIVSA-N 1 0 351.403 2.092 20 5 FEBDRO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000367793929 556141242 /nfs/dbraw/zinc/14/12/42/556141242.db2.gz PZRQLVFYQYEQFD-JKSUJKDBSA-N 1 0 358.442 2.022 20 5 FEBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662682 556378082 /nfs/dbraw/zinc/37/80/82/556378082.db2.gz JZSYPRCXTNZOPP-ZWKOTPCHSA-N 1 0 374.441 2.399 20 5 FEBDRO CC[C@H]1CCCCN1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467798 562011574 /nfs/dbraw/zinc/01/15/74/562011574.db2.gz OXGDXPYGAJGNAZ-JKSUJKDBSA-N 1 0 351.447 2.189 20 5 FEBDRO COc1ccc(CSCC(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000368808063 556418979 /nfs/dbraw/zinc/41/89/79/556418979.db2.gz VOEMIJHIRSWLAI-BTTYYORXSA-N 1 0 365.455 2.317 20 5 FEBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758125 562021127 /nfs/dbraw/zinc/02/11/27/562021127.db2.gz BMQKLKLNPKQYQD-BETUJISGSA-N 1 0 373.450 2.380 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369062917 556493652 /nfs/dbraw/zinc/49/36/52/556493652.db2.gz IQAHNRGWVFTGFI-HNNXBMFYSA-N 1 0 374.441 2.222 20 5 FEBDRO CN(c1ccc([N+](=O)[O-])cc1F)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000369087672 556501708 /nfs/dbraw/zinc/50/17/08/556501708.db2.gz KXZJDUNIHVSQKD-UHFFFAOYSA-N 1 0 364.421 2.257 20 5 FEBDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000516002015 562027512 /nfs/dbraw/zinc/02/75/12/562027512.db2.gz LPNAJOQTGWMWPE-INIZCTEOSA-N 1 0 357.410 2.263 20 5 FEBDRO Cn1cc([C@H](O)C[C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229929 556542442 /nfs/dbraw/zinc/54/24/42/556542442.db2.gz UJCRFVJGPITGHD-SJLPKXTDSA-N 1 0 360.414 2.295 20 5 FEBDRO Cc1sc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000369279422 556562986 /nfs/dbraw/zinc/56/29/86/556562986.db2.gz LUPJAGWYZHKJTP-LBPRGKRZSA-N 1 0 366.487 2.205 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000369532754 556623225 /nfs/dbraw/zinc/62/32/25/556623225.db2.gz PZWUGJVDBVFKBS-DGCLKSJQSA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@@H](NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000369661522 556662147 /nfs/dbraw/zinc/66/21/47/556662147.db2.gz CAANJVWBQYIMAB-CYBMUJFWSA-N 1 0 372.429 2.941 20 5 FEBDRO Cc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000369772772 556690831 /nfs/dbraw/zinc/69/08/31/556690831.db2.gz MSUIHFJBZDPHDO-IUODEOHRSA-N 1 0 362.386 2.416 20 5 FEBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818463 556703609 /nfs/dbraw/zinc/70/36/09/556703609.db2.gz HBCBTRYYMLDKGO-YJBOKZPZSA-N 1 0 371.441 2.450 20 5 FEBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000516617687 562050786 /nfs/dbraw/zinc/05/07/86/562050786.db2.gz YDWUATRAYNHZDO-AWEZNQCLSA-N 1 0 368.459 2.065 20 5 FEBDRO COc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)c([N+](=O)[O-])cc1OC ZINC000370202903 556809800 /nfs/dbraw/zinc/80/98/00/556809800.db2.gz DBCWPKDJEXRKMB-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000370490689 556888596 /nfs/dbraw/zinc/88/85/96/556888596.db2.gz HXVKHVZQICSFOG-UHFFFAOYSA-N 1 0 371.397 2.079 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370779781 556966289 /nfs/dbraw/zinc/96/62/89/556966289.db2.gz ORIAVIODCSVKHR-HNNXBMFYSA-N 1 0 367.833 2.160 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370840496 556986673 /nfs/dbraw/zinc/98/66/73/556986673.db2.gz VXYUXIHZPJDJOK-QGZVFWFLSA-N 1 0 360.458 2.144 20 5 FEBDRO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371533081 557212538 /nfs/dbraw/zinc/21/25/38/557212538.db2.gz DDBSQRBRMYHZLZ-OBJOEFQTSA-N 1 0 373.438 2.156 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415104 562089668 /nfs/dbraw/zinc/08/96/68/562089668.db2.gz NILMYAQQYAOCFN-OKILXGFUSA-N 1 0 355.460 2.277 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCN(Cc2ccnc(C)n2)C1=O ZINC000371952417 557337332 /nfs/dbraw/zinc/33/73/32/557337332.db2.gz FSOTULKEZQOTEC-SFHVURJKSA-N 1 0 369.425 2.282 20 5 FEBDRO CC[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000372047414 557365862 /nfs/dbraw/zinc/36/58/62/557365862.db2.gz QNIPERXCKYSECA-MJGOQNOKSA-N 1 0 362.474 2.042 20 5 FEBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372107389 557381408 /nfs/dbraw/zinc/38/14/08/557381408.db2.gz IXTSWLUWUVQDBV-IXDOHACOSA-N 1 0 369.425 2.242 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372157256 557394465 /nfs/dbraw/zinc/39/44/65/557394465.db2.gz RKIIKPKCQNPLNN-MJBXVCDLSA-N 1 0 363.414 2.289 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000372368677 557452209 /nfs/dbraw/zinc/45/22/09/557452209.db2.gz VZLGAFKBPBKQDF-MAUKXSAKSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1ccn2c(c1)nnc2C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372553659 557502951 /nfs/dbraw/zinc/50/29/51/557502951.db2.gz NOCLGOORVSCQGF-UHFFFAOYSA-N 1 0 355.402 2.022 20 5 FEBDRO Nc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC000372593554 557514868 /nfs/dbraw/zinc/51/48/68/557514868.db2.gz WPKQSKCLDAHYEJ-HWWDLCQESA-N 1 0 352.394 2.037 20 5 FEBDRO CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH+](Cc2ccncc2)CC1 ZINC000372707642 557543475 /nfs/dbraw/zinc/54/34/75/557543475.db2.gz VFUSFIBCULLRCK-UHFFFAOYSA-N 1 0 369.425 2.190 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000372745760 557553132 /nfs/dbraw/zinc/55/31/32/557553132.db2.gz VNGGFQTZGHYADV-UHFFFAOYSA-N 1 0 369.425 2.009 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000373061762 557619294 /nfs/dbraw/zinc/61/92/94/557619294.db2.gz YCSOQBUQKIUFHZ-LSDHHAIUSA-N 1 0 357.414 2.228 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000373100309 557628390 /nfs/dbraw/zinc/62/83/90/557628390.db2.gz RPZFQZZRGVCUFH-UHFFFAOYSA-N 1 0 369.849 2.220 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374298383 557860858 /nfs/dbraw/zinc/86/08/58/557860858.db2.gz UNRHRELPUMPKIL-MAUKXSAKSA-N 1 0 360.458 2.001 20 5 FEBDRO O=C(C[N@@H+]1CC[C@H](C2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374339709 557868023 /nfs/dbraw/zinc/86/80/23/557868023.db2.gz IAMBWVGLPPHKQN-INIZCTEOSA-N 1 0 359.426 2.232 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000374608950 557906330 /nfs/dbraw/zinc/90/63/30/557906330.db2.gz CXVFDCYMVWBEMM-FPMFFAJLSA-N 1 0 362.386 2.319 20 5 FEBDRO Cc1n[nH]c(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000521158541 562170592 /nfs/dbraw/zinc/17/05/92/562170592.db2.gz ZXZFDQOVLPJOGP-UHFFFAOYSA-N 1 0 373.413 2.031 20 5 FEBDRO CC(C)n1nc2c(cc1=O)CN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000374781466 557930508 /nfs/dbraw/zinc/93/05/08/557930508.db2.gz NUSXKHJHHWMLAV-UHFFFAOYSA-N 1 0 358.398 2.170 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375032740 557967524 /nfs/dbraw/zinc/96/75/24/557967524.db2.gz SVHYDYILPMEYNI-ABAIWWIYSA-N 1 0 352.822 2.213 20 5 FEBDRO COc1cc(CN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121696 557980763 /nfs/dbraw/zinc/98/07/63/557980763.db2.gz UGDNKJIQEGSXOF-HUUCEWRRSA-N 1 0 367.421 2.164 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375291630 558005006 /nfs/dbraw/zinc/00/50/06/558005006.db2.gz IJGWPCROIWUGOS-SFHVURJKSA-N 1 0 363.414 2.435 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCOc2ccccc2F)c1 ZINC000521360179 562174876 /nfs/dbraw/zinc/17/48/76/562174876.db2.gz BZMMCZYMXXKFOU-CQSZACIVSA-N 1 0 350.346 2.142 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375699152 558069400 /nfs/dbraw/zinc/06/94/00/558069400.db2.gz UXIKHBYVXRWAKS-GFCCVEGCSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000375699040 558069477 /nfs/dbraw/zinc/06/94/77/558069477.db2.gz UNYRDASPOUKPFN-UHFFFAOYSA-N 1 0 363.414 2.481 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ccc(F)cc1 ZINC000521674526 562182009 /nfs/dbraw/zinc/18/20/09/562182009.db2.gz LMCZBMRLGIAJBD-CQSZACIVSA-N 1 0 350.346 2.142 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000376468317 558177103 /nfs/dbraw/zinc/17/71/03/558177103.db2.gz JZQASFZADKDXBQ-QAPCUYQASA-N 1 0 350.415 2.370 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000522474226 562199046 /nfs/dbraw/zinc/19/90/46/562199046.db2.gz LELXTAJSBUMFQP-CHWSQXEVSA-N 1 0 351.451 2.035 20 5 FEBDRO Cc1cn2c(n1)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000378252526 558512222 /nfs/dbraw/zinc/51/22/22/558512222.db2.gz OQNYHAINSJBATJ-AWEZNQCLSA-N 1 0 364.427 2.097 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000378318643 558528548 /nfs/dbraw/zinc/52/85/48/558528548.db2.gz XPQMALVRPIYQMM-MJGOQNOKSA-N 1 0 357.410 2.345 20 5 FEBDRO C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000378622217 558595587 /nfs/dbraw/zinc/59/55/87/558595587.db2.gz MYSGWAYBTLVHBC-KRWDZBQOSA-N 1 0 372.425 2.175 20 5 FEBDRO Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000390009098 558610437 /nfs/dbraw/zinc/61/04/37/558610437.db2.gz SFITZYXWCXHNMG-GFCCVEGCSA-N 1 0 369.263 2.150 20 5 FEBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408086234 558645076 /nfs/dbraw/zinc/64/50/76/558645076.db2.gz HJFFDAILOFVIIG-LSDHHAIUSA-N 1 0 360.458 2.362 20 5 FEBDRO O=C(CC[NH+]1CCC(O[C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000410051186 558735029 /nfs/dbraw/zinc/73/50/29/558735029.db2.gz GTLONLBMQVLQCN-OAHLLOKOSA-N 1 0 363.414 2.193 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524869522 562236483 /nfs/dbraw/zinc/23/64/83/562236483.db2.gz LUQSIUPAOHSXPM-STQMWFEESA-N 1 0 371.459 2.097 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000411140294 558843765 /nfs/dbraw/zinc/84/37/65/558843765.db2.gz MSRAPJXTEAUOKJ-AWEZNQCLSA-N 1 0 364.446 2.243 20 5 FEBDRO C[NH+](C)C1(CNC(=O)CNc2ccccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000525609069 562250797 /nfs/dbraw/zinc/25/07/97/562250797.db2.gz AGWZDUDETPXXBI-UHFFFAOYSA-N 1 0 368.437 2.222 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975085 558998398 /nfs/dbraw/zinc/99/83/98/558998398.db2.gz UWSPGPNKGYHGLU-PIGZYNQJSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1nnc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024278 559003426 /nfs/dbraw/zinc/00/34/26/559003426.db2.gz BOVMWVAPFOUOOV-CYBMUJFWSA-N 1 0 358.402 2.148 20 5 FEBDRO CNC(=O)NC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000412057504 559007782 /nfs/dbraw/zinc/00/77/82/559007782.db2.gz XVFWILYVTJMIHQ-UHFFFAOYSA-N 1 0 373.413 2.186 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412100070 559013665 /nfs/dbraw/zinc/01/36/65/559013665.db2.gz XDSXHAUBJFCUMX-OLZOCXBDSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1F ZINC000412130167 559016044 /nfs/dbraw/zinc/01/60/44/559016044.db2.gz TYORXTJNLYIMSX-CQSZACIVSA-N 1 0 353.394 2.084 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1F ZINC000412190404 559019295 /nfs/dbraw/zinc/01/92/95/559019295.db2.gz ZUEMHSXHYJUJNC-ZDUSSCGKSA-N 1 0 367.421 2.379 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000413182072 559086322 /nfs/dbraw/zinc/08/63/22/559086322.db2.gz RSARIGMLWOCFQF-LLVKDONJSA-N 1 0 360.336 2.167 20 5 FEBDRO CC(C)[NH+]1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000413204585 559088320 /nfs/dbraw/zinc/08/83/20/559088320.db2.gz JFSJAGMVYGNEEN-UHFFFAOYSA-N 1 0 351.426 2.124 20 5 FEBDRO CS(=O)(=O)CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000414329651 559156755 /nfs/dbraw/zinc/15/67/55/559156755.db2.gz PBXONEYOALRVAI-UONOGXRCSA-N 1 0 370.475 2.080 20 5 FEBDRO COC(=O)COc1ccc(CN[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414852183 559190700 /nfs/dbraw/zinc/19/07/00/559190700.db2.gz QJYZJGBXYQFXAK-OAHLLOKOSA-N 1 0 365.430 2.144 20 5 FEBDRO C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414961906 559197304 /nfs/dbraw/zinc/19/73/04/559197304.db2.gz ZHTIDMLIESVXJW-CYBMUJFWSA-N 1 0 370.409 2.439 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415431137 559235797 /nfs/dbraw/zinc/23/57/97/559235797.db2.gz DLAWSCGVGLTWCH-SNVBAGLBSA-N 1 0 362.308 2.114 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415825540 559275746 /nfs/dbraw/zinc/27/57/46/559275746.db2.gz ACNRFCYZFZFTMK-MRXNPFEDSA-N 1 0 370.409 2.438 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000415865557 559279782 /nfs/dbraw/zinc/27/97/82/559279782.db2.gz UKXMLGVDRHTRFR-MRXNPFEDSA-N 1 0 374.441 2.078 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCCC1=CC[NH2+]CC1 ZINC000417992666 559385413 /nfs/dbraw/zinc/38/54/13/559385413.db2.gz OXOSTZCMTUEAJA-UHFFFAOYSA-N 1 0 352.822 2.400 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC1=CC[NH2+]CC1 ZINC000418096034 559390073 /nfs/dbraw/zinc/39/00/73/559390073.db2.gz WRNXUCXEVNOPCB-UHFFFAOYSA-N 1 0 358.320 2.333 20 5 FEBDRO [NH3+]C[C@H](NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCCC1 ZINC000418362403 559399176 /nfs/dbraw/zinc/39/91/76/559399176.db2.gz LZMFHKAPKNDSGS-HNNXBMFYSA-N 1 0 364.450 2.045 20 5 FEBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000419997933 559468315 /nfs/dbraw/zinc/46/83/15/559468315.db2.gz MECCOPHQVSEWMH-NRFANRHFSA-N 1 0 367.449 2.114 20 5 FEBDRO [NH3+]CCNC(=O)[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420174763 559475659 /nfs/dbraw/zinc/47/56/59/559475659.db2.gz UBMIPXWNEFTNBG-VIFPVBQESA-N 1 0 361.229 2.193 20 5 FEBDRO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420363152 559483289 /nfs/dbraw/zinc/48/32/89/559483289.db2.gz PAWFZZJKDJPGPN-PMACEKPBSA-N 1 0 355.438 2.490 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420411951 559486483 /nfs/dbraw/zinc/48/64/83/559486483.db2.gz YVJBCSUJYJHYOU-CZUORRHYSA-N 1 0 362.430 2.006 20 5 FEBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000420430393 559487176 /nfs/dbraw/zinc/48/71/76/559487176.db2.gz VRHAEWITBFUCID-UHFFFAOYSA-N 1 0 355.460 2.108 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420457813 559488562 /nfs/dbraw/zinc/48/85/62/559488562.db2.gz IGCHOXVRVPGCKK-GOEBONIOSA-N 1 0 367.471 2.310 20 5 FEBDRO CC[NH+](CC)CCOC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420599821 559493492 /nfs/dbraw/zinc/49/34/92/559493492.db2.gz LMJRNONUXDCUFU-UHFFFAOYSA-N 1 0 364.446 2.021 20 5 FEBDRO COC1([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421397947 559541119 /nfs/dbraw/zinc/54/11/19/559541119.db2.gz FHMQBBVXLDUDOY-UONOGXRCSA-N 1 0 365.430 2.486 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000421403819 559541308 /nfs/dbraw/zinc/54/13/08/559541308.db2.gz YASGPXAHZTWLFH-CWRNSKLLSA-N 1 0 356.430 2.287 20 5 FEBDRO COc1cc(CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000422949682 559612609 /nfs/dbraw/zinc/61/26/09/559612609.db2.gz VUWLADPUSHVZQI-MRXNPFEDSA-N 1 0 365.430 2.049 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423960212 559648100 /nfs/dbraw/zinc/64/81/00/559648100.db2.gz CLHNWIYDFNFGCG-KDOFPFPSSA-N 1 0 369.425 2.385 20 5 FEBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000423995368 559649763 /nfs/dbraw/zinc/64/97/63/559649763.db2.gz JJAYLNXLUATTLV-CYBMUJFWSA-N 1 0 373.434 2.464 20 5 FEBDRO Cc1c(CC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000424007092 559650454 /nfs/dbraw/zinc/65/04/54/559650454.db2.gz URTRBZUGWASIRM-QFBILLFUSA-N 1 0 361.442 2.191 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000424064853 559653241 /nfs/dbraw/zinc/65/32/41/559653241.db2.gz DPXNFEOAZCTEDT-MGPQQGTHSA-N 1 0 357.414 2.226 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)(C)C)CC3)n1 ZINC000425075993 559686348 /nfs/dbraw/zinc/68/63/48/559686348.db2.gz FKICYKMJIARHPP-UHFFFAOYSA-N 1 0 364.431 2.194 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)n1 ZINC000427399249 559754735 /nfs/dbraw/zinc/75/47/35/559754735.db2.gz NXBHKALTOFMZED-KBPBESRZSA-N 1 0 351.451 2.442 20 5 FEBDRO O=C(NCC1=CC[NH2+]CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000427612528 559758778 /nfs/dbraw/zinc/75/87/78/559758778.db2.gz OFRNHDMBZHUMOB-UHFFFAOYSA-N 1 0 359.304 2.185 20 5 FEBDRO C[NH+](C)Cc1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000427974004 559766750 /nfs/dbraw/zinc/76/67/50/559766750.db2.gz QOHNYVRJWRJKPO-UHFFFAOYSA-N 1 0 356.382 2.086 20 5 FEBDRO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000428983637 559787293 /nfs/dbraw/zinc/78/72/93/559787293.db2.gz QPNNXJLTPWCIOC-OCCSQVGLSA-N 1 0 357.414 2.113 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430618583 559825000 /nfs/dbraw/zinc/82/50/00/559825000.db2.gz VKRRLHFWZWWGAP-WFASDCNBSA-N 1 0 350.419 2.134 20 5 FEBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430773060 559827877 /nfs/dbraw/zinc/82/78/77/559827877.db2.gz PUTCVQHZZRENLY-NUEKZKHPSA-N 1 0 361.446 2.300 20 5 FEBDRO CN(CC[NH+]1CCCC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432493825 559859725 /nfs/dbraw/zinc/85/97/25/559859725.db2.gz CCQWDAALQIWBQY-UHFFFAOYSA-N 1 0 358.398 2.076 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433061223 559870687 /nfs/dbraw/zinc/87/06/87/559870687.db2.gz OKDGDFCVYXHTFP-KSSFIOAISA-N 1 0 357.410 2.457 20 5 FEBDRO CCn1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O ZINC000433103474 559871857 /nfs/dbraw/zinc/87/18/57/559871857.db2.gz LFTIDSKFAOTBPZ-ZDUSSCGKSA-N 1 0 358.398 2.283 20 5 FEBDRO CCn1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000433101054 559871876 /nfs/dbraw/zinc/87/18/76/559871876.db2.gz GBVMTUMVKSLWJX-ZDUSSCGKSA-N 1 0 358.398 2.283 20 5 FEBDRO Cc1c(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000433369121 559878923 /nfs/dbraw/zinc/87/89/23/559878923.db2.gz YUJWYEGFLOZCBE-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO COc1cccc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000435817031 559930659 /nfs/dbraw/zinc/93/06/59/559930659.db2.gz GZTOBPROAGUCSB-UHFFFAOYSA-N 1 0 369.421 2.432 20 5 FEBDRO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000439479656 559995079 /nfs/dbraw/zinc/99/50/79/559995079.db2.gz ANTMJAPPXAIMRY-GOSISDBHSA-N 1 0 366.414 2.395 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC000439658686 559998563 /nfs/dbraw/zinc/99/85/63/559998563.db2.gz PEDAHCBQNRWCEB-ZFWWWQNUSA-N 1 0 357.414 2.454 20 5 FEBDRO Cn1cc(C(=O)N2CCC[C@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000442601171 560053257 /nfs/dbraw/zinc/05/32/57/560053257.db2.gz QFGFUEFQVGIOIH-CYBMUJFWSA-N 1 0 357.414 2.196 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000443382522 560082688 /nfs/dbraw/zinc/08/26/88/560082688.db2.gz IOUVUFHGPCEHFO-UKRRQHHQSA-N 1 0 362.430 2.173 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000443977170 560097934 /nfs/dbraw/zinc/09/79/34/560097934.db2.gz HJWZYWPOZHAANP-UHFFFAOYSA-N 1 0 355.460 2.304 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000446051462 560138671 /nfs/dbraw/zinc/13/86/71/560138671.db2.gz IXSMSNUBPDTMRJ-ZDUSSCGKSA-N 1 0 368.865 2.312 20 5 FEBDRO COCC[C@]1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCOC1 ZINC000447397268 560161513 /nfs/dbraw/zinc/16/15/13/560161513.db2.gz NKDBSOCRAUMPCM-KRWDZBQOSA-N 1 0 351.403 2.017 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)NCCc1ccccc1 ZINC000447576100 560164721 /nfs/dbraw/zinc/16/47/21/560164721.db2.gz WKKRXOOESYDTNY-SJORKVTESA-N 1 0 371.441 2.224 20 5 FEBDRO Cc1cc([C@@H](C)[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000447578512 560164906 /nfs/dbraw/zinc/16/49/06/560164906.db2.gz FXUVGOOYCVUFEP-GFCCVEGCSA-N 1 0 367.427 2.434 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CC[NH+](C2CC2)CC1 ZINC000447815994 560169894 /nfs/dbraw/zinc/16/98/94/560169894.db2.gz ILRPQPPDJBXNCN-UHFFFAOYSA-N 1 0 360.458 2.466 20 5 FEBDRO O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000448743651 560197486 /nfs/dbraw/zinc/19/74/86/560197486.db2.gz INWMKCJVQURUFV-UHFFFAOYSA-N 1 0 355.398 2.153 20 5 FEBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccc1OCC(N)=O ZINC000449102296 560215880 /nfs/dbraw/zinc/21/58/80/560215880.db2.gz JNSXCURDXYMICT-ZDUSSCGKSA-N 1 0 373.409 2.188 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCCC12CCC2 ZINC000449145124 560217943 /nfs/dbraw/zinc/21/79/43/560217943.db2.gz WHBMQYHRVQZLSE-HNNXBMFYSA-N 1 0 353.444 2.186 20 5 FEBDRO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000449145935 560217982 /nfs/dbraw/zinc/21/79/82/560217982.db2.gz ZPOBJCGWZULQJR-CQSZACIVSA-N 1 0 355.460 2.432 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ncccc2C)cc1[N+](=O)[O-] ZINC000449496025 560231773 /nfs/dbraw/zinc/23/17/73/560231773.db2.gz PGOYQVUMSLXNJQ-UHFFFAOYSA-N 1 0 359.382 2.182 20 5 FEBDRO COc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449521002 560232629 /nfs/dbraw/zinc/23/26/29/560232629.db2.gz GXZWBYCGHJAHAR-SMDDNHRTSA-N 1 0 371.384 2.383 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000449719711 560238012 /nfs/dbraw/zinc/23/80/12/560238012.db2.gz HLWXBZJBUNTGIH-ZDUSSCGKSA-N 1 0 360.336 2.205 20 5 FEBDRO Cc1nc(N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371276 560260431 /nfs/dbraw/zinc/26/04/31/560260431.db2.gz GBQMPDWMZMVSQK-KBPBESRZSA-N 1 0 363.462 2.409 20 5 FEBDRO Cc1nc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450492079 560263976 /nfs/dbraw/zinc/26/39/76/560263976.db2.gz ZBQGWMKAFMYWNH-OAHLLOKOSA-N 1 0 359.455 2.723 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309425 560299424 /nfs/dbraw/zinc/29/94/24/560299424.db2.gz WPCXAZDWJAFOID-INMHGKMJSA-N 1 0 350.415 2.355 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000451478929 560309346 /nfs/dbraw/zinc/30/93/46/560309346.db2.gz KNXRFOMDKUPWOF-SVGFKBNWSA-N 1 0 350.415 2.128 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCO[C@H]21 ZINC000451480818 560309551 /nfs/dbraw/zinc/30/95/51/560309551.db2.gz RGBSKUMGLHFNGH-BMGDILEWSA-N 1 0 359.426 2.277 20 5 FEBDRO CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548100 560313759 /nfs/dbraw/zinc/31/37/59/560313759.db2.gz MTQXUUNWAHKESR-OAHLLOKOSA-N 1 0 374.441 2.495 20 5 FEBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000451592996 560316417 /nfs/dbraw/zinc/31/64/17/560316417.db2.gz HAUJWCCZWVPTII-VQIMIIECSA-N 1 0 363.458 2.363 20 5 FEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000451593226 560316569 /nfs/dbraw/zinc/31/65/69/560316569.db2.gz SILAHFURRVGMLT-UAGQMJEPSA-N 1 0 366.414 2.046 20 5 FEBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599696 560316682 /nfs/dbraw/zinc/31/66/82/560316682.db2.gz QTKJNGHNNNVTIQ-AEFFLSMTSA-N 1 0 351.447 2.436 20 5 FEBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000451602833 560316878 /nfs/dbraw/zinc/31/68/78/560316878.db2.gz WDAWCUGILKQBSM-APWZRJJASA-N 1 0 363.458 2.363 20 5 FEBDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)C ZINC000451601258 560316928 /nfs/dbraw/zinc/31/69/28/560316928.db2.gz ULJPJDWUKWWMGU-DLBZAZTESA-N 1 0 372.487 2.247 20 5 FEBDRO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@H+]1CCO ZINC000451657618 560320078 /nfs/dbraw/zinc/32/00/78/560320078.db2.gz ZJWPTLJTNXIHOC-OKILXGFUSA-N 1 0 360.414 2.137 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000451850255 560332264 /nfs/dbraw/zinc/33/22/64/560332264.db2.gz WVSCGUHBHQRBNS-CQSZACIVSA-N 1 0 362.430 2.309 20 5 FEBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452008618 560345167 /nfs/dbraw/zinc/34/51/67/560345167.db2.gz BCLMJBDCMNOKFL-GDBMZVCRSA-N 1 0 351.403 2.479 20 5 FEBDRO CC1(C)CCC[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452089221 560350559 /nfs/dbraw/zinc/35/05/59/560350559.db2.gz PIERBHWAHYGTHQ-UHFFFAOYSA-N 1 0 361.851 2.401 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000452105271 560351563 /nfs/dbraw/zinc/35/15/63/560351563.db2.gz NOZCPTVNSNOQKA-AWEZNQCLSA-N 1 0 355.460 2.315 20 5 FEBDRO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+](C2CC2)C1 ZINC000452169362 560354431 /nfs/dbraw/zinc/35/44/31/560354431.db2.gz HRTSTDHIIPMDHG-CQSZACIVSA-N 1 0 369.425 2.337 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452348711 560359062 /nfs/dbraw/zinc/35/90/62/560359062.db2.gz LQIITRITGPGMHQ-AWEZNQCLSA-N 1 0 363.439 2.386 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H](C2CC2)C2CCCC2)cc1 ZINC000453078425 560383004 /nfs/dbraw/zinc/38/30/04/560383004.db2.gz GCCMBHMCEYXXSI-QGZVFWFLSA-N 1 0 367.471 2.432 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)cc1[N+](=O)[O-] ZINC000453273280 560384942 /nfs/dbraw/zinc/38/49/42/560384942.db2.gz VOVSCFCLZKNKDG-GOEBONIOSA-N 1 0 351.447 2.491 20 5 FEBDRO COCCOc1cccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453576770 560389310 /nfs/dbraw/zinc/38/93/10/560389310.db2.gz NHMKHXFQPDNREC-UHFFFAOYSA-N 1 0 372.425 2.337 20 5 FEBDRO COCC[N@H+](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454448142 560444855 /nfs/dbraw/zinc/44/48/55/560444855.db2.gz WIUDTHIGSPOCLF-MRXNPFEDSA-N 1 0 364.446 2.062 20 5 FEBDRO COc1cc(OCC(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456196751 560510511 /nfs/dbraw/zinc/51/05/11/560510511.db2.gz HWSQKKCQNZIGAP-UHFFFAOYSA-N 1 0 353.419 2.219 20 5 FEBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456379722 560518226 /nfs/dbraw/zinc/51/82/26/560518226.db2.gz NCLZYLKYDNRLOT-AWEZNQCLSA-N 1 0 372.425 2.465 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457089147 560548090 /nfs/dbraw/zinc/54/80/90/560548090.db2.gz KVENIADUYPJCBP-AWEZNQCLSA-N 1 0 372.425 2.463 20 5 FEBDRO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457132345 560552059 /nfs/dbraw/zinc/55/20/59/560552059.db2.gz URRSBNOGIVNNND-INIZCTEOSA-N 1 0 372.429 2.039 20 5 FEBDRO O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000457608149 560577594 /nfs/dbraw/zinc/57/75/94/560577594.db2.gz WUADTEJFNBBGDH-HNNXBMFYSA-N 1 0 373.457 2.267 20 5 FEBDRO COc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458174364 560606943 /nfs/dbraw/zinc/60/69/43/560606943.db2.gz SCEDAXCOFHSFSE-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511510 560628741 /nfs/dbraw/zinc/62/87/41/560628741.db2.gz PQGZBHNMSGBRAR-GOEBONIOSA-N 1 0 364.446 2.110 20 5 FEBDRO O=c1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH]1 ZINC000459386747 560683642 /nfs/dbraw/zinc/68/36/42/560683642.db2.gz YIUDZYRXXKYAOR-LBPRGKRZSA-N 1 0 356.386 2.049 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+]C2(CC(=O)OC)CCC2)c([N+](=O)[O-])c1 ZINC000459391598 560684004 /nfs/dbraw/zinc/68/40/04/560684004.db2.gz RKMQRAJQKNERGR-UHFFFAOYSA-N 1 0 365.386 2.007 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000459525337 560692131 /nfs/dbraw/zinc/69/21/31/560692131.db2.gz IJVAUDFIYSNTEP-QZTJIDSGSA-N 1 0 374.441 2.036 20 5 FEBDRO COc1ccc(C[NH2+]C2(C(N)=O)C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000459763126 560707023 /nfs/dbraw/zinc/70/70/23/560707023.db2.gz BSVIPJQIWOVYBY-UHFFFAOYSA-N 1 0 359.426 2.373 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459767655 560707145 /nfs/dbraw/zinc/70/71/45/560707145.db2.gz QDPLJQSGEHPGLO-CVEARBPZSA-N 1 0 363.414 2.479 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000467072580 560902920 /nfs/dbraw/zinc/90/29/20/560902920.db2.gz BQNLHEJMNZJMSJ-ZYHUDNBSSA-N 1 0 361.489 2.458 20 5 FEBDRO CC[N@H+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000468516477 560932034 /nfs/dbraw/zinc/93/20/34/560932034.db2.gz PDPRMBDONRSIAE-UHFFFAOYSA-N 1 0 350.419 2.098 20 5 FEBDRO CCS(=O)(=O)N1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468646903 560934935 /nfs/dbraw/zinc/93/49/35/560934935.db2.gz GUXPMOSYZMVDGJ-KAMYIIQDSA-N 1 0 367.471 2.402 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000470147568 560975457 /nfs/dbraw/zinc/97/54/57/560975457.db2.gz PVJDFYWCTTWWHP-VXGBXAGGSA-N 1 0 354.382 2.355 20 5 FEBDRO COC(=O)c1cn([C@H]2CC[N@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208206 560976635 /nfs/dbraw/zinc/97/66/35/560976635.db2.gz GOTDCSGSXBEQNL-RQPMMQJISA-N 1 0 371.397 2.323 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470917587 560993961 /nfs/dbraw/zinc/99/39/61/560993961.db2.gz KXHISFYSOVRXDO-QGZVFWFLSA-N 1 0 351.403 2.433 20 5 FEBDRO Cc1n[nH]c(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802011 561012147 /nfs/dbraw/zinc/01/21/47/561012147.db2.gz YWIUUFWTKZTAIU-HOTGVXAUSA-N 1 0 371.441 2.439 20 5 FEBDRO C[C@@H](CN1CCOCC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472228205 561021390 /nfs/dbraw/zinc/02/13/90/561021390.db2.gz DUVKOKBFVBRFRQ-KRWDZBQOSA-N 1 0 373.457 2.014 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000472631373 561031547 /nfs/dbraw/zinc/03/15/47/561031547.db2.gz MRFJPHRBAOYICI-NEFCLYRVSA-N 1 0 353.444 2.058 20 5 FEBDRO O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000474293571 561070409 /nfs/dbraw/zinc/07/04/09/561070409.db2.gz MLFWVNYXSLIJKA-UHFFFAOYSA-N 1 0 351.406 2.482 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000474347821 561071913 /nfs/dbraw/zinc/07/19/13/561071913.db2.gz GKAVNYNRSMYISE-INIZCTEOSA-N 1 0 366.414 2.177 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000474354559 561072011 /nfs/dbraw/zinc/07/20/11/561072011.db2.gz WJDUGKXKGCIIPA-AWEZNQCLSA-N 1 0 364.398 2.338 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000474366097 561072344 /nfs/dbraw/zinc/07/23/44/561072344.db2.gz AKVOXOHWXTUFEM-TZMCWYRMSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000474381458 561072883 /nfs/dbraw/zinc/07/28/83/561072883.db2.gz WPXRNIOYYVJDSC-UHFFFAOYSA-N 1 0 366.414 2.322 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000474556901 561076783 /nfs/dbraw/zinc/07/67/83/561076783.db2.gz LWDNBLNKOZLWFA-UHFFFAOYSA-N 1 0 358.398 2.074 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000475706401 561102848 /nfs/dbraw/zinc/10/28/48/561102848.db2.gz PBWDYBPYVHMAGH-LSDHHAIUSA-N 1 0 364.398 2.148 20 5 FEBDRO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476352642 561117407 /nfs/dbraw/zinc/11/74/07/561117407.db2.gz HHHYKGWHLIZNPU-UHFFFAOYSA-N 1 0 357.414 2.031 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000531190372 562437657 /nfs/dbraw/zinc/43/76/57/562437657.db2.gz RGJHCTIMSJJPLP-UONOGXRCSA-N 1 0 351.451 2.267 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])c1 ZINC000532471784 562478890 /nfs/dbraw/zinc/47/88/90/562478890.db2.gz ZWPLBOZRKGPJSN-UHFFFAOYSA-N 1 0 371.397 2.089 20 5 FEBDRO CCn1cc(C[N@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000532577434 562482041 /nfs/dbraw/zinc/48/20/41/562482041.db2.gz OYNDQDUOVHSGKN-UHFFFAOYSA-N 1 0 359.386 2.241 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247929 562528483 /nfs/dbraw/zinc/52/84/83/562528483.db2.gz GCMUMAGDXOMQET-CQSZACIVSA-N 1 0 373.457 2.080 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000534827497 562543240 /nfs/dbraw/zinc/54/32/40/562543240.db2.gz LECVICBTNOKICC-HZPDHXFCSA-N 1 0 364.471 2.287 20 5 FEBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000536856659 562581464 /nfs/dbraw/zinc/58/14/64/562581464.db2.gz GVYXVXQQNGCCKT-STQMWFEESA-N 1 0 355.460 2.287 20 5 FEBDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541023610 562600563 /nfs/dbraw/zinc/60/05/63/562600563.db2.gz DAUDHSUNFCQFSE-GOSISDBHSA-N 1 0 357.410 2.443 20 5 FEBDRO CCOC(=O)C[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541332673 562609676 /nfs/dbraw/zinc/60/96/76/562609676.db2.gz SLLWCOORZHARFZ-GFCCVEGCSA-N 1 0 365.386 2.166 20 5 FEBDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541780183 562619777 /nfs/dbraw/zinc/61/97/77/562619777.db2.gz XJTFJSRCMFTRES-UHFFFAOYSA-N 1 0 355.460 2.055 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 ZINC000541821494 562620576 /nfs/dbraw/zinc/62/05/76/562620576.db2.gz PQHTVBDCZCLQNI-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000541982974 562624991 /nfs/dbraw/zinc/62/49/91/562624991.db2.gz GWBGQIBQJMHSKX-KRWDZBQOSA-N 1 0 373.409 2.428 20 5 FEBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000545457382 562627589 /nfs/dbraw/zinc/62/75/89/562627589.db2.gz DEMGJGZVSXTEIR-APHBMKBZSA-N 1 0 351.403 2.096 20 5 FEBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C12CCC[NH+](CCC1)C2 ZINC000602067957 567924574 /nfs/dbraw/zinc/92/45/74/567924574.db2.gz BEIHEBPIKXKTJA-UHFFFAOYSA-N 1 0 358.442 2.119 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cn1 ZINC000602578325 567993429 /nfs/dbraw/zinc/99/34/29/567993429.db2.gz CZIGZJXSRKXUHX-UHFFFAOYSA-N 1 0 368.441 2.458 20 5 FEBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000602774464 568028896 /nfs/dbraw/zinc/02/88/96/568028896.db2.gz ZVLIPVIPSHTYEL-UHFFFAOYSA-N 1 0 359.430 2.324 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C2=O ZINC000569100799 568275648 /nfs/dbraw/zinc/27/56/48/568275648.db2.gz QRLMQBMPLIIXJI-MEDUHNTESA-N 1 0 366.805 2.188 20 5 FEBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000569920783 568436527 /nfs/dbraw/zinc/43/65/27/568436527.db2.gz MDHXDFMMRQOGEQ-ZTFGCOKTSA-N 1 0 350.415 2.129 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244580 568465971 /nfs/dbraw/zinc/46/59/71/568465971.db2.gz PVHYTGLHBVOAKD-ZIAGYGMSSA-N 1 0 367.471 2.450 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000570740036 568505172 /nfs/dbraw/zinc/50/51/72/568505172.db2.gz XZFASOAIXCWHSD-CQSZACIVSA-N 1 0 366.437 2.491 20 5 FEBDRO C[C@@H]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668330 599590133 /nfs/dbraw/zinc/59/01/33/599590133.db2.gz RRSRBDHPYDHNRV-GHMZBOCLSA-N 1 0 368.401 2.218 20 5 FEBDRO C[N@H+](CCn1cc(Br)cn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808802087 674472921 /nfs/dbraw/zinc/47/29/21/674472921.db2.gz GMSKARXSQLGZIK-CQSZACIVSA-N 1 0 369.219 2.219 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640021 607471019 /nfs/dbraw/zinc/47/10/19/607471019.db2.gz PPGIBSFZPPNHER-LRDDRELGSA-N 1 0 369.429 2.228 20 5 FEBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845523 674516070 /nfs/dbraw/zinc/51/60/70/674516070.db2.gz NWGQJSDQBJVIBF-ZETCQYMHSA-N 1 0 356.231 2.130 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000559603658 674549295 /nfs/dbraw/zinc/54/92/95/674549295.db2.gz QETDEIBDXMUSHP-CYBMUJFWSA-N 1 0 350.346 2.272 20 5 FEBDRO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000821581355 607162716 /nfs/dbraw/zinc/16/27/16/607162716.db2.gz JGFYVAQIIQNNEX-ZDUSSCGKSA-N 1 0 372.364 2.024 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000824568811 608470144 /nfs/dbraw/zinc/47/01/44/608470144.db2.gz DCPNWJULRTZVKI-ZBEGNZNMSA-N 1 0 354.370 2.159 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569366 608486987 /nfs/dbraw/zinc/48/69/87/608486987.db2.gz HJCFDIXCFQSYFW-BDJLRTHQSA-N 1 0 354.370 2.159 20 5 FEBDRO CN1CC[NH+](CCCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561120610 674638955 /nfs/dbraw/zinc/63/89/55/674638955.db2.gz IFSDVJOGHAIIFR-UHFFFAOYSA-N 1 0 350.448 2.039 20 5 FEBDRO CS(=O)(=O)c1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562518832 674764595 /nfs/dbraw/zinc/76/45/95/674764595.db2.gz LFGDYZZLODNWLA-UHFFFAOYSA-N 1 0 350.396 2.167 20 5 FEBDRO CSC1(CNC(=O)CCOc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000562912255 674821431 /nfs/dbraw/zinc/82/14/31/674821431.db2.gz SSUNWOUREQKJPR-UHFFFAOYSA-N 1 0 367.471 2.307 20 5 FEBDRO O=c1c(Br)cn(Cc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000563209152 674858271 /nfs/dbraw/zinc/85/82/71/674858271.db2.gz BSHHBJZCSJTDDN-UHFFFAOYSA-N 1 0 364.199 2.213 20 5 FEBDRO Cc1csc([C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000564873707 675070897 /nfs/dbraw/zinc/07/08/97/675070897.db2.gz RCKBMGKJPCZWMK-SMDDNHRTSA-N 1 0 351.428 2.493 20 5 FEBDRO C[NH+](C)CCOC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816924200 675087022 /nfs/dbraw/zinc/08/70/22/675087022.db2.gz DVUXWQICTDWCKI-UHFFFAOYSA-N 1 0 355.822 2.431 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055400628 670350579 /nfs/dbraw/zinc/35/05/79/670350579.db2.gz PBOGBOHFRJYMRZ-NWDGAFQWSA-N 1 0 350.375 2.353 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000817149341 675105455 /nfs/dbraw/zinc/10/54/55/675105455.db2.gz CTNQWNDZBKGCSP-VIFPVBQESA-N 1 0 365.814 2.102 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000065977973 670435997 /nfs/dbraw/zinc/43/59/97/670435997.db2.gz JQJZBRVYIUPDBZ-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000570287216 670690572 /nfs/dbraw/zinc/69/05/72/670690572.db2.gz XERQGEWTTUOMRP-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000111635901 670859997 /nfs/dbraw/zinc/85/99/97/670859997.db2.gz QJNBRHAECCBKOE-ZDUSSCGKSA-N 1 0 350.375 2.416 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000571791268 670925783 /nfs/dbraw/zinc/92/57/83/670925783.db2.gz VRJXMOJTLKAQIM-UHFFFAOYSA-N 1 0 370.377 2.479 20 5 FEBDRO C[NH+](C)C1CCC(NC(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000817659847 675158936 /nfs/dbraw/zinc/15/89/36/675158936.db2.gz GAWIJLYRMCSXQY-UHFFFAOYSA-N 1 0 371.235 2.355 20 5 FEBDRO CCc1ccc(S(=O)(=O)Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000565833543 675154642 /nfs/dbraw/zinc/15/46/42/675154642.db2.gz IPZKXGIITXWFHO-UHFFFAOYSA-N 1 0 350.400 2.419 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000572882682 671056163 /nfs/dbraw/zinc/05/61/63/671056163.db2.gz NBFZSQXDXPKZHD-TUAOUCFPSA-N 1 0 353.806 2.083 20 5 FEBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 ZINC000566117421 675182788 /nfs/dbraw/zinc/18/27/88/675182788.db2.gz RPDGTYKPULFOKH-CQSZACIVSA-N 1 0 364.423 2.426 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccccc1F ZINC000574863413 671282060 /nfs/dbraw/zinc/28/20/60/671282060.db2.gz XYUAXTLLMXONKR-ZDUSSCGKSA-N 1 0 350.346 2.142 20 5 FEBDRO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000575089324 671297898 /nfs/dbraw/zinc/29/78/98/671297898.db2.gz CIPVSVZHZLLUQI-PMPSAXMXSA-N 1 0 351.447 2.187 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000818000017 675189410 /nfs/dbraw/zinc/18/94/10/675189410.db2.gz CPVCWOAMOYXSOV-DOMZBBRYSA-N 1 0 351.378 2.103 20 5 FEBDRO C[C@H](CCc1cccn1C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576150407 671347308 /nfs/dbraw/zinc/34/73/08/671347308.db2.gz QMHVUTWZPCOQBA-CQSZACIVSA-N 1 0 365.455 2.318 20 5 FEBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576227420 671353532 /nfs/dbraw/zinc/35/35/32/671353532.db2.gz UZLMIAXIZWRQCK-OAHLLOKOSA-N 1 0 358.460 2.001 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000576744185 671391324 /nfs/dbraw/zinc/39/13/24/671391324.db2.gz CBUBDOKPLNAYFD-CYBMUJFWSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1cc(C(=O)NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000577621436 671608734 /nfs/dbraw/zinc/60/87/34/671608734.db2.gz GUPXNAMHZRYFPC-UHFFFAOYSA-N 1 0 359.329 2.077 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545624 675925629 /nfs/dbraw/zinc/92/56/29/675925629.db2.gz HCCNRFNQLUINLA-LBPRGKRZSA-N 1 0 361.851 2.401 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000580534035 671815778 /nfs/dbraw/zinc/81/57/78/671815778.db2.gz LLYFIQCHQOPLLY-YPMHNXCESA-N 1 0 371.235 2.085 20 5 FEBDRO CC(C)(CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000580829775 671838158 /nfs/dbraw/zinc/83/81/58/671838158.db2.gz YGLOYCGRDZNTEE-UHFFFAOYSA-N 1 0 369.487 2.080 20 5 FEBDRO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119366200 671898205 /nfs/dbraw/zinc/89/82/05/671898205.db2.gz XWHGIEBTGXEDKK-UHFFFAOYSA-N 1 0 355.441 2.196 20 5 FEBDRO COc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc([N+](=O)[O-])c1OC ZINC000610196804 675958752 /nfs/dbraw/zinc/95/87/52/675958752.db2.gz KHPZFQDRQVHGGP-UHFFFAOYSA-N 1 0 353.419 2.272 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208720 675959164 /nfs/dbraw/zinc/95/91/64/675959164.db2.gz JJHJJGYOHGDFHU-JSGCOSHPSA-N 1 0 367.471 2.436 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000121744465 671956467 /nfs/dbraw/zinc/95/64/67/671956467.db2.gz LXRJPCICBBZEAK-LBPRGKRZSA-N 1 0 355.822 2.317 20 5 FEBDRO C[NH+](C)CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000582177466 671976083 /nfs/dbraw/zinc/97/60/83/671976083.db2.gz ZQQWGEBFLUFEMG-MRXNPFEDSA-N 1 0 351.447 2.046 20 5 FEBDRO Cc1nc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])sc1C ZINC000582415643 672000148 /nfs/dbraw/zinc/00/01/48/672000148.db2.gz FDWYSYHQSCAQTQ-ZDUSSCGKSA-N 1 0 351.428 2.240 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000125445176 672011553 /nfs/dbraw/zinc/01/15/53/672011553.db2.gz INJNJEPTKZCFHW-UHFFFAOYSA-N 1 0 363.867 2.423 20 5 FEBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000582601836 672017103 /nfs/dbraw/zinc/01/71/03/672017103.db2.gz XZTWPXNDRYHZJH-WMLDXEAASA-N 1 0 351.447 2.045 20 5 FEBDRO CCc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000582790440 672034260 /nfs/dbraw/zinc/03/42/60/672034260.db2.gz QDZJZKXWGDKHQR-UHFFFAOYSA-N 1 0 363.439 2.225 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000583079444 672061574 /nfs/dbraw/zinc/06/15/74/672061574.db2.gz UPJXUTIBIKIFJV-HNNXBMFYSA-N 1 0 350.346 2.272 20 5 FEBDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583494838 672100166 /nfs/dbraw/zinc/10/01/66/672100166.db2.gz HIDSUMQLNKXWNN-GJZGRUSLSA-N 1 0 369.487 2.079 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000583766008 672124260 /nfs/dbraw/zinc/12/42/60/672124260.db2.gz OKHJKAOGYZEVBQ-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000154285839 672213723 /nfs/dbraw/zinc/21/37/23/672213723.db2.gz OTSSOYDABUDDSE-LBPRGKRZSA-N 1 0 373.450 2.443 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCC[NH+]1CCCCC1 ZINC000170656888 672323622 /nfs/dbraw/zinc/32/36/22/672323622.db2.gz FGOJCZCKCVRDET-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000175084205 672365352 /nfs/dbraw/zinc/36/53/52/672365352.db2.gz VYYCLOWYLLRZEM-RYUDHWBXSA-N 1 0 361.851 2.399 20 5 FEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000178011882 672388169 /nfs/dbraw/zinc/38/81/69/672388169.db2.gz MPTDZMYVXATRGU-UHFFFAOYSA-N 1 0 368.865 2.138 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000179188317 672399575 /nfs/dbraw/zinc/39/95/75/672399575.db2.gz UQOVBFUCMBOGKH-GFCCVEGCSA-N 1 0 359.423 2.195 20 5 FEBDRO CCc1ccc(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])o1 ZINC000589191049 672512396 /nfs/dbraw/zinc/51/23/96/672512396.db2.gz FHHVXMDLQANOIM-UHFFFAOYSA-N 1 0 367.427 2.119 20 5 FEBDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189092 672512409 /nfs/dbraw/zinc/51/24/09/672512409.db2.gz ZQUYGIBUQOXLQQ-MLGOLLRUSA-N 1 0 366.805 2.201 20 5 FEBDRO COc1cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012807 672554757 /nfs/dbraw/zinc/55/47/57/672554757.db2.gz YURUNEINACZSCT-GXFFZTMASA-N 1 0 357.357 2.341 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590442723 672583016 /nfs/dbraw/zinc/58/30/16/672583016.db2.gz GUXMFSXNBNVGEV-COPLHBTASA-N 1 0 353.806 2.178 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590445079 672583548 /nfs/dbraw/zinc/58/35/48/672583548.db2.gz QEBYRVMGRWEFPW-SWLSCSKDSA-N 1 0 365.455 2.109 20 5 FEBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000590554811 672589169 /nfs/dbraw/zinc/58/91/69/672589169.db2.gz FTFXZPLPFIXFOZ-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565748 672590422 /nfs/dbraw/zinc/59/04/22/672590422.db2.gz QERHDCXAAKDZRW-HZPDHXFCSA-N 1 0 367.833 2.112 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590862 672593959 /nfs/dbraw/zinc/59/39/59/672593959.db2.gz KFVZTBALPDGPFY-AAEUAGOBSA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000590591062 672594087 /nfs/dbraw/zinc/59/40/87/672594087.db2.gz HPEHNABCBPVSBQ-CYBMUJFWSA-N 1 0 371.434 2.291 20 5 FEBDRO COc1cc(C[N@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611549754 676043721 /nfs/dbraw/zinc/04/37/21/676043721.db2.gz RTMCDFLJDVZQNX-ZDUSSCGKSA-N 1 0 360.357 2.450 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]2)CC1 ZINC000591587622 672692280 /nfs/dbraw/zinc/69/22/80/672692280.db2.gz ZPRAJKOXPGLQAF-UHFFFAOYSA-N 1 0 354.204 2.325 20 5 FEBDRO CS(=O)(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000194083716 672746722 /nfs/dbraw/zinc/74/67/22/672746722.db2.gz FWULRLHHNFSUBS-UHFFFAOYSA-N 1 0 353.444 2.285 20 5 FEBDRO CCOC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130362 672762410 /nfs/dbraw/zinc/76/24/10/672762410.db2.gz FMAXKEWTQJVNHV-BRWVUGGUSA-N 1 0 352.431 2.098 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592379538 672794944 /nfs/dbraw/zinc/79/49/44/672794944.db2.gz LQVNDTWFLDCVRS-CYBMUJFWSA-N 1 0 361.851 2.175 20 5 FEBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592390431 672796792 /nfs/dbraw/zinc/79/67/92/672796792.db2.gz JOGJYOYFAFKANW-CVEARBPZSA-N 1 0 367.471 2.136 20 5 FEBDRO COc1cc(CN2CC[NH2+]C[C@H]2C(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000592490314 672808256 /nfs/dbraw/zinc/80/82/56/672808256.db2.gz GDGDHSLJWBKFEE-JTQLQIEISA-N 1 0 367.299 2.244 20 5 FEBDRO COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000246314685 672834771 /nfs/dbraw/zinc/83/47/71/672834771.db2.gz GLBSQPAJNAYYCG-NXEZZACHSA-N 1 0 357.794 2.316 20 5 FEBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c(F)c1 ZINC000593032460 672866209 /nfs/dbraw/zinc/86/62/09/672866209.db2.gz XIQURSZIGFMLCY-UHFFFAOYSA-N 1 0 355.385 2.200 20 5 FEBDRO COc1ccc(CNC(=O)NCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593314893 672907644 /nfs/dbraw/zinc/90/76/44/672907644.db2.gz HILYGJYXYHUGKL-UHFFFAOYSA-N 1 0 352.435 2.381 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1C ZINC000262238531 672911335 /nfs/dbraw/zinc/91/13/35/672911335.db2.gz OWLQCCIHHLCNCW-CQSZACIVSA-N 1 0 361.423 2.290 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000593555058 672941633 /nfs/dbraw/zinc/94/16/33/672941633.db2.gz BRLQTOIMHCBELF-UHFFFAOYSA-N 1 0 368.459 2.065 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593698685 672980226 /nfs/dbraw/zinc/98/02/26/672980226.db2.gz WBEBSXIOBGMRPJ-OAHLLOKOSA-N 1 0 356.325 2.378 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000593731159 672984446 /nfs/dbraw/zinc/98/44/46/672984446.db2.gz AJIQJGOBYJYURA-JSGCOSHPSA-N 1 0 355.460 2.350 20 5 FEBDRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000593735059 672984789 /nfs/dbraw/zinc/98/47/89/672984789.db2.gz WNVLSTLBSZTPDR-ZBEGNZNMSA-N 1 0 352.822 2.248 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593911169 673007307 /nfs/dbraw/zinc/00/73/07/673007307.db2.gz FJLQBBPMIDITFB-HWWQOWPSSA-N 1 0 351.378 2.092 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594483235 673087059 /nfs/dbraw/zinc/08/70/59/673087059.db2.gz DKKNWRFFNVFAHC-HZPDHXFCSA-N 1 0 353.444 2.031 20 5 FEBDRO CSCC1(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594716653 673121636 /nfs/dbraw/zinc/12/16/36/673121636.db2.gz RRNKNBPKXUSGEJ-UHFFFAOYSA-N 1 0 358.485 2.491 20 5 FEBDRO C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594864207 673169898 /nfs/dbraw/zinc/16/98/98/673169898.db2.gz SMBYRJVOBQOANK-HNNXBMFYSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595113945 673195579 /nfs/dbraw/zinc/19/55/79/673195579.db2.gz PYWHNQRILJVYLU-OAHLLOKOSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595114284 673195721 /nfs/dbraw/zinc/19/57/21/673195721.db2.gz VEQIWNVPNDVTES-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000595344626 673228558 /nfs/dbraw/zinc/22/85/58/673228558.db2.gz HURIWUWERABULN-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000595381410 673238623 /nfs/dbraw/zinc/23/86/23/673238623.db2.gz KFWPJQUBWSMNRD-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CCO)CCCC1 ZINC000595508678 673259189 /nfs/dbraw/zinc/25/91/89/673259189.db2.gz IVSPLAMLVVNDDP-UHFFFAOYSA-N 1 0 351.403 2.217 20 5 FEBDRO CN(CC1C[NH+](C)C1)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000595590693 673270902 /nfs/dbraw/zinc/27/09/02/673270902.db2.gz OESDMNIHFFPAME-UHFFFAOYSA-N 1 0 360.336 2.317 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000730786210 673290552 /nfs/dbraw/zinc/29/05/52/673290552.db2.gz MYYGNPWAHCWQMG-CHWSQXEVSA-N 1 0 353.394 2.492 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](CC)CC1 ZINC000596062291 673354932 /nfs/dbraw/zinc/35/49/32/673354932.db2.gz MBMUQPGKDVTQGP-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO COc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596152928 673363733 /nfs/dbraw/zinc/36/37/33/673363733.db2.gz UIYACKFJGVPPJY-LBPRGKRZSA-N 1 0 355.822 2.415 20 5 FEBDRO CN(CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000613537227 676133102 /nfs/dbraw/zinc/13/31/02/676133102.db2.gz XLXJYHZCLZVQKJ-ZBFHGGJFSA-N 1 0 369.487 2.177 20 5 FEBDRO CN1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719845 673379580 /nfs/dbraw/zinc/37/95/80/673379580.db2.gz BUSIONRNGZYCAX-AWEZNQCLSA-N 1 0 363.487 2.050 20 5 FEBDRO NS(=O)(=O)c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477253 673388430 /nfs/dbraw/zinc/38/84/30/673388430.db2.gz IFUONBXWXIKHBC-LBPRGKRZSA-N 1 0 368.459 2.061 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000596539878 673392585 /nfs/dbraw/zinc/39/25/85/673392585.db2.gz RGLLREMUIZJVDN-GFCCVEGCSA-N 1 0 360.336 2.044 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596540501 673392666 /nfs/dbraw/zinc/39/26/66/673392666.db2.gz TZOIIQDLHXQIFP-CYBMUJFWSA-N 1 0 370.247 2.393 20 5 FEBDRO CC1(C)CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000537968489 673415402 /nfs/dbraw/zinc/41/54/02/673415402.db2.gz JFASPOKRQHSQAB-HNNXBMFYSA-N 1 0 355.460 2.432 20 5 FEBDRO Cc1cc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000596825787 673417063 /nfs/dbraw/zinc/41/70/63/673417063.db2.gz ZNFRKUAVZZCPIZ-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000734844935 673474310 /nfs/dbraw/zinc/47/43/10/673474310.db2.gz FKIKJCUOXWZASY-UHFFFAOYSA-N 1 0 352.866 2.462 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597573045 673488530 /nfs/dbraw/zinc/48/85/30/673488530.db2.gz YKBDXPPMYIFBLB-UHFFFAOYSA-N 1 0 365.455 2.111 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000539480939 673492411 /nfs/dbraw/zinc/49/24/11/673492411.db2.gz CNEKCZTYTCQUBT-KBPBESRZSA-N 1 0 372.878 2.164 20 5 FEBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000597710413 673501504 /nfs/dbraw/zinc/50/15/04/673501504.db2.gz MBMTYTZOQBENIA-QGZVFWFLSA-N 1 0 353.369 2.360 20 5 FEBDRO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1 ZINC000598597981 673587804 /nfs/dbraw/zinc/58/78/04/673587804.db2.gz LHAFVWKSVACGHZ-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598600596 673588160 /nfs/dbraw/zinc/58/81/60/673588160.db2.gz VDDVPRIPIZFCIP-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598604912 673589006 /nfs/dbraw/zinc/58/90/06/673589006.db2.gz CLBVNWATCSWIBN-CABCVRRESA-N 1 0 367.471 2.316 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598617003 673591114 /nfs/dbraw/zinc/59/11/14/673591114.db2.gz DOYVDHFKKDSVSB-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO CS[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000542769387 673604050 /nfs/dbraw/zinc/60/40/50/673604050.db2.gz WKGAHFLIFZLTCG-HZPDHXFCSA-N 1 0 365.455 2.012 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598966839 673625220 /nfs/dbraw/zinc/62/52/20/673625220.db2.gz JFJBCRUIUWSXQA-CQSZACIVSA-N 1 0 350.419 2.135 20 5 FEBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106541 673633775 /nfs/dbraw/zinc/63/37/75/673633775.db2.gz VEVPHYPNOWWLEN-BDAKNGLRSA-N 1 0 367.349 2.032 20 5 FEBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[NH2+]1 ZINC000599106542 673633786 /nfs/dbraw/zinc/63/37/86/673633786.db2.gz VEVPHYPNOWWLEN-DTWKUNHWSA-N 1 0 367.349 2.032 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000543675251 673661029 /nfs/dbraw/zinc/66/10/29/673661029.db2.gz UCFUKHYFGRLPMS-UHFFFAOYSA-N 1 0 355.460 2.174 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000599389854 673668009 /nfs/dbraw/zinc/66/80/09/673668009.db2.gz DJWJWEKXEWOBFX-KRWDZBQOSA-N 1 0 367.471 2.421 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599414780 673672584 /nfs/dbraw/zinc/67/25/84/673672584.db2.gz IGMARKVBQHPPCT-ZDUSSCGKSA-N 1 0 355.460 2.167 20 5 FEBDRO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464028 673678663 /nfs/dbraw/zinc/67/86/63/673678663.db2.gz IXMZATBVJLBTRA-HNNXBMFYSA-N 1 0 367.471 2.452 20 5 FEBDRO [NH3+]CC1(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCOCC1 ZINC000599605122 673696775 /nfs/dbraw/zinc/69/67/75/673696775.db2.gz SJQAGHQTZZTZMY-UHFFFAOYSA-N 1 0 362.308 2.243 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599673446 673704928 /nfs/dbraw/zinc/70/49/28/673704928.db2.gz OWOYXSQDLVUAJY-LBPRGKRZSA-N 1 0 353.419 2.413 20 5 FEBDRO CC(C)[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000742277088 673717981 /nfs/dbraw/zinc/71/79/81/673717981.db2.gz RWKVTEDCKFSALP-CQSZACIVSA-N 1 0 370.475 2.025 20 5 FEBDRO NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]CCNc1ccc([N+](=O)[O-])cc1 ZINC000544847588 673736361 /nfs/dbraw/zinc/73/63/61/673736361.db2.gz KSMGLUMIDAJIPZ-INIZCTEOSA-N 1 0 362.817 2.346 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467810 673771576 /nfs/dbraw/zinc/77/15/76/673771576.db2.gz CULWIFPRLTUGKK-HZSPNIEDSA-N 1 0 355.460 2.240 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000600469848 673772086 /nfs/dbraw/zinc/77/20/86/673772086.db2.gz LKKMKQYRKWSCCD-GFCCVEGCSA-N 1 0 351.378 2.489 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(F)cc1[N+](=O)[O-] ZINC000601337672 673844545 /nfs/dbraw/zinc/84/45/45/673844545.db2.gz HHBHWEDNVINGDV-TZMCWYRMSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000601342929 673845342 /nfs/dbraw/zinc/84/53/42/673845342.db2.gz GSQGTGCXYFEHQM-CQSZACIVSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC000601352440 673846950 /nfs/dbraw/zinc/84/69/50/673846950.db2.gz VBCOBCUWVCVJLZ-BXUZGUMPSA-N 1 0 373.862 2.319 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601356613 673847496 /nfs/dbraw/zinc/84/74/96/673847496.db2.gz SJPUQRBKWKVQIC-PWSUYJOCSA-N 1 0 361.489 2.316 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372460 673850522 /nfs/dbraw/zinc/85/05/22/673850522.db2.gz YTWQAANKXQWOMY-RYUDHWBXSA-N 1 0 359.473 2.070 20 5 FEBDRO Cc1cc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000601414854 673858355 /nfs/dbraw/zinc/85/83/55/673858355.db2.gz KNYZQRQPCKLHSF-ZYHUDNBSSA-N 1 0 359.473 2.212 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000601428848 673860749 /nfs/dbraw/zinc/86/07/49/673860749.db2.gz GQDRHQHBAVIFGZ-HNNXBMFYSA-N 1 0 355.460 2.056 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601503937 673872436 /nfs/dbraw/zinc/87/24/36/673872436.db2.gz UKMCSQVXVHKFGY-UHFFFAOYSA-N 1 0 369.487 2.273 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000746662726 673888682 /nfs/dbraw/zinc/88/86/82/673888682.db2.gz HNMAWXHNMKHGHJ-CYBMUJFWSA-N 1 0 353.423 2.028 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CCCN2CCOCC2)cc1Br ZINC000602506570 673906947 /nfs/dbraw/zinc/90/69/47/673906947.db2.gz ZLYJTGCPPSLELH-UHFFFAOYSA-N 1 0 364.265 2.231 20 5 FEBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@@]2(O)CCOC2)cc1Br ZINC000602700035 673910289 /nfs/dbraw/zinc/91/02/89/673910289.db2.gz QXOJKTDLZPCXBX-LLVKDONJSA-N 1 0 351.222 2.050 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602888684 673912548 /nfs/dbraw/zinc/91/25/48/673912548.db2.gz ARFHIYJXJISLRU-DLBZAZTESA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602888687 673912671 /nfs/dbraw/zinc/91/26/71/673912671.db2.gz ARFHIYJXJISLRU-SJORKVTESA-N 1 0 350.415 2.273 20 5 FEBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 ZINC000602888685 673912802 /nfs/dbraw/zinc/91/28/02/673912802.db2.gz ARFHIYJXJISLRU-IAGOWNOFSA-N 1 0 350.415 2.273 20 5 FEBDRO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000548021630 673915732 /nfs/dbraw/zinc/91/57/32/673915732.db2.gz SZKJGCGPXKTPTO-GFCCVEGCSA-N 1 0 350.448 2.052 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000603378486 673927826 /nfs/dbraw/zinc/92/78/26/673927826.db2.gz HWRFZRKFKNAAQV-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO CNc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000548188487 673931623 /nfs/dbraw/zinc/93/16/23/673931623.db2.gz HQUSRRHGOJFWHU-HZPDHXFCSA-N 1 0 364.471 2.288 20 5 FEBDRO CC(=O)NCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000549081887 674015563 /nfs/dbraw/zinc/01/55/63/674015563.db2.gz FYBAFFPQNZLKBH-UHFFFAOYSA-N 1 0 367.471 2.307 20 5 FEBDRO CC(C)OC(=O)N1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819063984 675257787 /nfs/dbraw/zinc/25/77/87/675257787.db2.gz RHIRJMVDIBTNDM-MRXNPFEDSA-N 1 0 351.403 2.227 20 5 FEBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819184618 675268018 /nfs/dbraw/zinc/26/80/18/675268018.db2.gz GHTDXODQAXSEMM-WFASDCNBSA-N 1 0 353.419 2.379 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000567378071 675288717 /nfs/dbraw/zinc/28/87/17/675288717.db2.gz OLUAGJALTRPEBV-HFTRVMKXSA-N 1 0 352.431 2.375 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000567680885 675311931 /nfs/dbraw/zinc/31/19/31/675311931.db2.gz HEBGSMRTJUHCTP-HNNXBMFYSA-N 1 0 359.411 2.066 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000567685491 675312645 /nfs/dbraw/zinc/31/26/45/675312645.db2.gz AYPATYAKHUEIMT-DZGCQCFKSA-N 1 0 366.805 2.309 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819912985 675323454 /nfs/dbraw/zinc/32/34/54/675323454.db2.gz ZDDDLQOGHAFSEM-SMDDNHRTSA-N 1 0 373.862 2.271 20 5 FEBDRO Cc1c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000825207061 675641596 /nfs/dbraw/zinc/64/15/96/675641596.db2.gz CGGCMIGCECVUGG-SNVBAGLBSA-N 1 0 364.280 2.129 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000825756445 675667586 /nfs/dbraw/zinc/66/75/86/675667586.db2.gz STGNWFFEXOVPJF-LBPRGKRZSA-N 1 0 355.822 2.397 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000826945798 675717436 /nfs/dbraw/zinc/71/74/36/675717436.db2.gz GTGOCEDRDQDUFO-LBPRGKRZSA-N 1 0 350.394 2.109 20 5 FEBDRO C[C@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[NH+](C)C ZINC000603577101 675800144 /nfs/dbraw/zinc/80/01/44/675800144.db2.gz SKIQAWBJIKKULT-CYBMUJFWSA-N 1 0 370.475 2.131 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000604530191 675805915 /nfs/dbraw/zinc/80/59/15/675805915.db2.gz KOYIWBVUVYXNGV-UHFFFAOYSA-N 1 0 351.451 2.213 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000828512534 675826598 /nfs/dbraw/zinc/82/65/98/675826598.db2.gz WBOBMOGXXPENEV-KCJUWKMLSA-N 1 0 356.785 2.136 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000828512536 675826694 /nfs/dbraw/zinc/82/66/94/675826694.db2.gz WBOBMOGXXPENEV-LDYMZIIASA-N 1 0 356.785 2.136 20 5 FEBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000829266374 675873047 /nfs/dbraw/zinc/87/30/47/675873047.db2.gz JQZRGNUFWBSBIP-UHFFFAOYSA-N 1 0 367.833 2.433 20 5 FEBDRO Cn1ncc(Br)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000618723950 676351061 /nfs/dbraw/zinc/35/10/61/676351061.db2.gz ZGWSHJUOLFAYAO-UHFFFAOYSA-N 1 0 355.192 2.259 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871307 676397811 /nfs/dbraw/zinc/39/78/11/676397811.db2.gz AZKNTFFZHVMEBG-ZDUSSCGKSA-N 1 0 351.378 2.061 20 5 FEBDRO C[C@@H]1C[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000829799944 677013498 /nfs/dbraw/zinc/01/34/98/677013498.db2.gz BUKBCVJDXXZSFE-CHWSQXEVSA-N 1 0 353.394 2.353 20 5 FEBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000830022824 677022139 /nfs/dbraw/zinc/02/21/39/677022139.db2.gz NFGNOGCUIIIGAW-GDBMZVCRSA-N 1 0 367.446 2.363 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Oc3ccc(Cl)cn3)CC2)n1 ZINC000839203054 680744569 /nfs/dbraw/zinc/74/45/69/680744569.db2.gz SJHCSHFCDUCABK-UHFFFAOYSA-N 1 0 351.794 2.383 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839561595 680761873 /nfs/dbraw/zinc/76/18/73/680761873.db2.gz WHKBFMHBFVPWIQ-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000840222758 680808617 /nfs/dbraw/zinc/80/86/17/680808617.db2.gz RIULTDSQQCCRNY-GFCCVEGCSA-N 1 0 350.371 2.397 20 5 FEBDRO C[NH+]1CCC(CNc2cc(Cl)ccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000840357019 680818123 /nfs/dbraw/zinc/81/81/23/680818123.db2.gz NHVUAIZPKWWSAY-UHFFFAOYSA-N 1 0 368.865 2.457 20 5 FEBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000748820370 679998556 /nfs/dbraw/zinc/99/85/56/679998556.db2.gz XJDFNRUXQYQULG-UHFFFAOYSA-N 1 0 363.439 2.112 20 5 FEBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000834648450 680253009 /nfs/dbraw/zinc/25/30/09/680253009.db2.gz VFHFSBGXIJRNRX-AAEUAGOBSA-N 1 0 350.375 2.319 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000834889758 680280300 /nfs/dbraw/zinc/28/03/00/680280300.db2.gz JLFGXDJZACMKRX-CYBMUJFWSA-N 1 0 356.444 2.148 20 5 FEBDRO COc1cc(C(=O)OC[C@H]2CN(C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000835297511 680316177 /nfs/dbraw/zinc/31/61/77/680316177.db2.gz LOOTZWBMRKOGJX-LLVKDONJSA-N 1 0 356.350 2.009 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CCO)c2cccs2)c1 ZINC000754380400 680352729 /nfs/dbraw/zinc/35/27/29/680352729.db2.gz CVKHOICIBOXCJZ-ZFWWWQNUSA-N 1 0 352.412 2.109 20 5 FEBDRO C[N@H+](Cc1ccccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985427063 680447331 /nfs/dbraw/zinc/44/73/31/680447331.db2.gz WTSMOCUJTDBTFJ-GDBMZVCRSA-N 1 0 351.834 2.428 20 5 FEBDRO C[N@H+](Cc1ccc(F)c(F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430765 680447484 /nfs/dbraw/zinc/44/74/84/680447484.db2.gz JCAMFLHWPJBXIN-CZUORRHYSA-N 1 0 353.369 2.053 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162272 680866788 /nfs/dbraw/zinc/86/67/88/680866788.db2.gz RVLUPESSPDGCAZ-KWQFWETISA-N 1 0 357.208 2.477 20 5 FEBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841523890 680891542 /nfs/dbraw/zinc/89/15/42/680891542.db2.gz IIRLIQPRKGMASP-MRVPVSSYSA-N 1 0 368.242 2.132 20 5 FEBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000841529278 680892485 /nfs/dbraw/zinc/89/24/85/680892485.db2.gz GNALFVUJMIKXJN-UHFFFAOYSA-N 1 0 353.803 2.006 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000841546745 680895322 /nfs/dbraw/zinc/89/53/22/680895322.db2.gz VDEVTCCVVGOSBD-GFCCVEGCSA-N 1 0 359.423 2.053 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842477064 680949310 /nfs/dbraw/zinc/94/93/10/680949310.db2.gz DSHXRUVRMWGPLC-BZNIZROVSA-N 1 0 352.822 2.403 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842873590 680972821 /nfs/dbraw/zinc/97/28/21/680972821.db2.gz KJSDEZMUHQXKFK-OLZOCXBDSA-N 1 0 371.434 2.134 20 5 FEBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843108822 680988134 /nfs/dbraw/zinc/98/81/34/680988134.db2.gz UMNLPGNOUBNHRE-IPYPFGDCSA-N 1 0 366.439 2.498 20 5 FEBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000843257308 680994241 /nfs/dbraw/zinc/99/42/41/680994241.db2.gz OHQIGDULEHKFGE-SECBINFHSA-N 1 0 360.183 2.368 20 5 FEBDRO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640985 681069750 /nfs/dbraw/zinc/06/97/50/681069750.db2.gz MMUUBEXGQFOWJN-YUSALJHKSA-N 1 0 350.375 2.365 20 5 FEBDRO CC[C@H](CSC)[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000773260619 681133399 /nfs/dbraw/zinc/13/33/99/681133399.db2.gz YMTMLUXJEAHQOC-GFCCVEGCSA-N 1 0 366.443 2.394 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000846235131 681207774 /nfs/dbraw/zinc/20/77/74/681207774.db2.gz SOWDIZKYQXFXAD-UHFFFAOYSA-N 1 0 361.851 2.306 20 5 FEBDRO CS[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000775999206 681355872 /nfs/dbraw/zinc/35/58/72/681355872.db2.gz HRNWAKXZOXNZRW-ZIAGYGMSSA-N 1 0 372.878 2.164 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2([C@H]3CCCCO3)CC2)cc1 ZINC000933375816 681400925 /nfs/dbraw/zinc/40/09/25/681400925.db2.gz NAYJFSKMDPKQRW-OAHLLOKOSA-N 1 0 354.428 2.060 20 5 FEBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000776600699 681414110 /nfs/dbraw/zinc/41/41/10/681414110.db2.gz FGMFXINDDVUJPU-KDOFPFPSSA-N 1 0 350.415 2.146 20 5 FEBDRO C[C@H](F)CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934041262 681499572 /nfs/dbraw/zinc/49/95/72/681499572.db2.gz WSUHQXAJECMENW-LBPRGKRZSA-N 1 0 353.398 2.216 20 5 FEBDRO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000777799889 681531412 /nfs/dbraw/zinc/53/14/12/681531412.db2.gz URUNVTFVOZEWBI-WDEREUQCSA-N 1 0 363.443 2.450 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000935112877 681690826 /nfs/dbraw/zinc/69/08/26/681690826.db2.gz JJIZXPZCIIRSNF-OCCSQVGLSA-N 1 0 355.485 2.434 20 5 FEBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781599710 681951761 /nfs/dbraw/zinc/95/17/61/681951761.db2.gz JDABOCRHIISYEU-CQSZACIVSA-N 1 0 352.391 2.138 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCC[NH+]1CCCCC1 ZINC000781600245 681951869 /nfs/dbraw/zinc/95/18/69/681951869.db2.gz XKOAPLAPKNBXBK-UHFFFAOYSA-N 1 0 350.375 2.038 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CCOCC2)ccc1Br ZINC000782388143 682036795 /nfs/dbraw/zinc/03/67/95/682036795.db2.gz XKEMHOGQYVWEKN-CYBMUJFWSA-N 1 0 359.220 2.234 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783310186 682134540 /nfs/dbraw/zinc/13/45/40/682134540.db2.gz CVEGRUBIUJWVAT-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852351369 682265145 /nfs/dbraw/zinc/26/51/45/682265145.db2.gz MZPJBYCLKISCNU-NILFDRSVSA-N 1 0 353.375 2.159 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000918359787 685538754 /nfs/dbraw/zinc/53/87/54/685538754.db2.gz JPOHBARGTFOTCY-IYBDPMFKSA-N 1 0 371.434 2.005 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1C ZINC000918727459 685541587 /nfs/dbraw/zinc/54/15/87/685541587.db2.gz BSKAVNJFGYIBTM-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854653272 682575823 /nfs/dbraw/zinc/57/58/23/682575823.db2.gz XTPFIKANXDYWGJ-XPTSAGLGSA-N 1 0 368.821 2.371 20 5 FEBDRO C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCO1 ZINC000856429307 682781246 /nfs/dbraw/zinc/78/12/46/682781246.db2.gz IYUFXMIRRBBHIQ-LBPRGKRZSA-N 1 0 355.822 2.431 20 5 FEBDRO C[C@@H](CNc1cccc(Br)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000856728474 682799478 /nfs/dbraw/zinc/79/94/78/682799478.db2.gz URJDXMIWCBNAHC-NSHDSACASA-N 1 0 357.252 2.405 20 5 FEBDRO CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000857764055 682910841 /nfs/dbraw/zinc/91/08/41/682910841.db2.gz GFUDAHKGBKLJSI-QYJAPNMZSA-N 1 0 355.341 2.308 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575436 682980906 /nfs/dbraw/zinc/98/09/06/682980906.db2.gz BJZWIVGSWBZWEO-XWIASGKRSA-N 1 0 368.821 2.080 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000858615774 682985249 /nfs/dbraw/zinc/98/52/49/682985249.db2.gz LFBZKGFNZQZXOS-ZDUSSCGKSA-N 1 0 361.851 2.175 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000858619043 682985674 /nfs/dbraw/zinc/98/56/74/682985674.db2.gz JQYUVUKLUKVKAC-LBPRGKRZSA-N 1 0 359.835 2.120 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859358134 683092724 /nfs/dbraw/zinc/09/27/24/683092724.db2.gz VPNYTRQOSJUWLZ-UHFFFAOYSA-N 1 0 368.865 2.396 20 5 FEBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795827863 683095432 /nfs/dbraw/zinc/09/54/32/683095432.db2.gz DGVOZWYLOMSBGK-SECBINFHSA-N 1 0 365.814 2.007 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000920315976 683333882 /nfs/dbraw/zinc/33/38/82/683333882.db2.gz SQSLLMADESHHCF-MNOVXSKESA-N 1 0 359.835 2.153 20 5 FEBDRO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093617 683383113 /nfs/dbraw/zinc/38/31/13/683383113.db2.gz DITRSSMMFDLOJY-HOCLYGCPSA-N 1 0 360.439 2.386 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000862628989 683610675 /nfs/dbraw/zinc/61/06/75/683610675.db2.gz LSFPRSPZGFCUDA-LBPRGKRZSA-N 1 0 350.394 2.453 20 5 FEBDRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000866210661 684083317 /nfs/dbraw/zinc/08/33/17/684083317.db2.gz AKISYWVPCRMYPZ-UHFFFAOYSA-N 1 0 368.865 2.473 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000866338755 684092863 /nfs/dbraw/zinc/09/28/63/684092863.db2.gz XHSVYBRVCSMHNF-SJORKVTESA-N 1 0 368.455 2.306 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000866820333 684160822 /nfs/dbraw/zinc/16/08/22/684160822.db2.gz QBHTWWRANCJMIP-ZYHUDNBSSA-N 1 0 359.835 2.011 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000931296452 684257500 /nfs/dbraw/zinc/25/75/00/684257500.db2.gz HKBYZIUUCOXRGV-OLZOCXBDSA-N 1 0 368.821 2.311 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047712 684917109 /nfs/dbraw/zinc/91/71/09/684917109.db2.gz DARFZIONBFOUTN-LLVKDONJSA-N 1 0 371.434 2.341 20 5 FEBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872062565 684917944 /nfs/dbraw/zinc/91/79/44/684917944.db2.gz NFXJMTOVKHRHQM-XJKSGUPXSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000872246173 684931845 /nfs/dbraw/zinc/93/18/45/684931845.db2.gz BHQGOSJALWJASW-SJORKVTESA-N 1 0 350.802 2.475 20 5 FEBDRO CN1CC[NH+](C2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000877746287 686448894 /nfs/dbraw/zinc/44/88/94/686448894.db2.gz KWKHDKIUCLQSAF-UHFFFAOYSA-N 1 0 352.866 2.460 20 5 FEBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000878614952 686619663 /nfs/dbraw/zinc/61/96/63/686619663.db2.gz HYYKJSKSVPCVHW-AWEZNQCLSA-N 1 0 353.423 2.043 20 5 FEBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133977 687003758 /nfs/dbraw/zinc/00/37/58/687003758.db2.gz KJQFZGRDYTWYHA-ZIAGYGMSSA-N 1 0 352.822 2.355 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000880585404 687063347 /nfs/dbraw/zinc/06/33/47/687063347.db2.gz RHENCKFUIJBEJQ-OAHLLOKOSA-N 1 0 350.415 2.357 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)cc([N+](=O)[O-])c1F ZINC000882768856 687480021 /nfs/dbraw/zinc/48/00/21/687480021.db2.gz WLMVMYZMLCVJKU-UHFFFAOYSA-N 1 0 371.434 2.291 20 5 FEBDRO CC1([NH+]2CCC2)CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000882769247 687480762 /nfs/dbraw/zinc/48/07/62/687480762.db2.gz NCZXLJRRWUWXPF-UHFFFAOYSA-N 1 0 373.862 2.497 20 5 FEBDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000884357282 687855900 /nfs/dbraw/zinc/85/59/00/687855900.db2.gz VIZJSMAYNNXLJX-RYUDHWBXSA-N 1 0 356.220 2.142 20 5 FEBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000889223016 688749566 /nfs/dbraw/zinc/74/95/66/688749566.db2.gz JTHNEOSTGSDHTB-UHFFFAOYSA-N 1 0 369.219 2.063 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751774 688816550 /nfs/dbraw/zinc/81/65/50/688816550.db2.gz SBZRYNLAPQVGJO-LSDHHAIUSA-N 1 0 367.833 2.228 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756902 688818170 /nfs/dbraw/zinc/81/81/70/688818170.db2.gz PCLNTEJVKQZZKH-UONOGXRCSA-N 1 0 367.833 2.228 20 5 FEBDRO CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)(C(F)(F)F)CC1 ZINC000891205752 689032319 /nfs/dbraw/zinc/03/23/19/689032319.db2.gz AVSUZXMUFYEXAC-UHFFFAOYSA-N 1 0 360.336 2.445 20 5 FEBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCC[NH+]1CCC(O)CC1 ZINC000891904976 689124965 /nfs/dbraw/zinc/12/49/65/689124965.db2.gz NWASWJPWPQBDDX-UHFFFAOYSA-N 1 0 364.833 2.477 20 5 FEBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000893135213 689301973 /nfs/dbraw/zinc/30/19/73/689301973.db2.gz NQBDDTISBBFVAB-MLGOLLRUSA-N 1 0 354.428 2.453 20 5 FEBDRO COCCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000894077551 689461838 /nfs/dbraw/zinc/46/18/38/689461838.db2.gz BMNIFZAOOYGJEF-UHFFFAOYSA-N 1 0 350.375 2.247 20 5 FEBDRO C[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895246453 689683331 /nfs/dbraw/zinc/68/33/31/689683331.db2.gz BTCJVGMKIWQYAF-MFKMUULPSA-N 1 0 357.252 2.404 20 5 FEBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897219621 689989516 /nfs/dbraw/zinc/98/95/16/689989516.db2.gz MBASHQUWWORNJT-STQMWFEESA-N 1 0 370.247 2.393 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218245 689989762 /nfs/dbraw/zinc/98/97/62/689989762.db2.gz BPFFYISQCWYHAQ-STQMWFEESA-N 1 0 360.336 2.044 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897830373 690086848 /nfs/dbraw/zinc/08/68/48/690086848.db2.gz UCCWAJSXEWAJJH-SDNWHVSQSA-N 1 0 353.444 2.013 20 5 FEBDRO C[NH+]1CCC(NCc2cn(Cc3ccc([N+](=O)[O-])cc3Cl)nn2)CC1 ZINC000900536509 690529756 /nfs/dbraw/zinc/52/97/56/690529756.db2.gz JWUIUUCUZHJXLW-UHFFFAOYSA-N 1 0 364.837 2.072 20 5 FEBDRO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C[NH+]1CCN(C)CC1 ZINC000900693638 690548883 /nfs/dbraw/zinc/54/88/83/690548883.db2.gz YZXSKCGJSVEOLQ-LLVKDONJSA-N 1 0 372.828 2.001 20 5 FEBDRO O=C(CN[C@H]1CC[NH2+]C12CCCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000903485489 690898899 /nfs/dbraw/zinc/89/88/99/690898899.db2.gz OIVAOVUNUIIQCO-AWEZNQCLSA-N 1 0 352.822 2.451 20 5 FEBDRO CC1(C)CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000905416391 691116569 /nfs/dbraw/zinc/11/65/69/691116569.db2.gz AAMOFCXQWFQEMR-AWEZNQCLSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000905598712 691149177 /nfs/dbraw/zinc/14/91/77/691149177.db2.gz WTIDTBCHRFDWRX-LSDHHAIUSA-N 1 0 350.415 2.416 20 5 FEBDRO CCO[C@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000906373582 691259404 /nfs/dbraw/zinc/25/94/04/691259404.db2.gz ZEDYDFBQFVBZPL-LLVKDONJSA-N 1 0 374.235 2.054 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000907852038 691570132 /nfs/dbraw/zinc/57/01/32/691570132.db2.gz WIMAJQZQKGAHNT-UHFFFAOYSA-N 1 0 373.862 2.415 20 5 FEBDRO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000908541072 691695491 /nfs/dbraw/zinc/69/54/91/691695491.db2.gz PJGJOMXUGAEZPI-AWEZNQCLSA-N 1 0 369.849 2.144 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000076250067 542250463 /nfs/dbraw/zinc/25/04/63/542250463.db2.gz IFVBBYKQGKJWOV-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO C[NH+](C)Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000030772234 539891219 /nfs/dbraw/zinc/89/12/19/539891219.db2.gz AFPREFZLARVBSX-UHFFFAOYSA-N 1 0 356.382 2.025 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000030535762 539884482 /nfs/dbraw/zinc/88/44/82/539884482.db2.gz ZYSDEBDPBQMWEO-SWLSCSKDSA-N 1 0 360.366 2.414 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000031464364 539908109 /nfs/dbraw/zinc/90/81/09/539908109.db2.gz QZEXWPQCAIUIBF-UHFFFAOYSA-N 1 0 370.409 2.067 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000032441210 539938869 /nfs/dbraw/zinc/93/88/69/539938869.db2.gz GFXNNVCFNOZJQA-KGLIPLIRSA-N 1 0 355.460 2.444 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000041361549 540018134 /nfs/dbraw/zinc/01/81/34/540018134.db2.gz MNKGTXNCJZDIRE-UHFFFAOYSA-N 1 0 366.487 2.074 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000041642049 540028891 /nfs/dbraw/zinc/02/88/91/540028891.db2.gz YFUJGYAJBQKAJT-MRXNPFEDSA-N 1 0 362.430 2.160 20 5 FEBDRO O=C(CC[NH+]1CCC(C(=O)N2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000041896858 540038742 /nfs/dbraw/zinc/03/87/42/540038742.db2.gz YTXBJMOTBBBVBW-UHFFFAOYSA-N 1 0 374.441 2.258 20 5 FEBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000046935509 540277570 /nfs/dbraw/zinc/27/75/70/540277570.db2.gz SCXWZMNMTDDEKX-HNNXBMFYSA-N 1 0 371.441 2.340 20 5 FEBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000046935508 540277595 /nfs/dbraw/zinc/27/75/95/540277595.db2.gz SCXWZMNMTDDEKX-OAHLLOKOSA-N 1 0 371.441 2.340 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047434463 540311003 /nfs/dbraw/zinc/31/10/03/540311003.db2.gz RQNXLXMTQJPCMH-GJZGRUSLSA-N 1 0 364.446 2.012 20 5 FEBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000050954591 540416848 /nfs/dbraw/zinc/41/68/48/540416848.db2.gz GLYSKIYVYASUAN-UHFFFAOYSA-N 1 0 363.418 2.474 20 5 FEBDRO CCCNC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043269 540419928 /nfs/dbraw/zinc/41/99/28/540419928.db2.gz YKSBQICWSVTXNL-AWEZNQCLSA-N 1 0 362.430 2.162 20 5 FEBDRO C[N@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054762243 540607539 /nfs/dbraw/zinc/60/75/39/540607539.db2.gz WGCUBVXHPZKIMV-UHFFFAOYSA-N 1 0 371.441 2.438 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000054774892 540608569 /nfs/dbraw/zinc/60/85/69/540608569.db2.gz CROYCXDSBFGKAT-UHFFFAOYSA-N 1 0 374.372 2.278 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000055281145 540642551 /nfs/dbraw/zinc/64/25/51/540642551.db2.gz ZUGXTCIGTKBNSO-ZDUSSCGKSA-N 1 0 371.459 2.004 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000060061455 540867187 /nfs/dbraw/zinc/86/71/87/540867187.db2.gz CHZZAEZYARHLOQ-UHFFFAOYSA-N 1 0 370.475 2.131 20 5 FEBDRO CCN(CC)C(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060089889 540868217 /nfs/dbraw/zinc/86/82/17/540868217.db2.gz ZIZRYNGEWUVJIA-UHFFFAOYSA-N 1 0 350.419 2.032 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1OC ZINC000061605069 541134961 /nfs/dbraw/zinc/13/49/61/541134961.db2.gz ZWLQGRMWVJUNQI-UHFFFAOYSA-N 1 0 363.414 2.312 20 5 FEBDRO CC(C)[NH+]1CCC(N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000063575336 541173800 /nfs/dbraw/zinc/17/38/00/541173800.db2.gz ANWBTCBUHJTAJF-UHFFFAOYSA-N 1 0 353.394 2.444 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000063852978 541189526 /nfs/dbraw/zinc/18/95/26/541189526.db2.gz YDFGJYCXOIRYDO-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2ccccc2Cl)c1 ZINC000065978388 541276109 /nfs/dbraw/zinc/27/61/09/541276109.db2.gz MLPVWSCTRHWPCO-UHFFFAOYSA-N 1 0 369.830 2.316 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[NH+](C2CCCC2)CC1 ZINC000066609995 541345242 /nfs/dbraw/zinc/34/52/42/541345242.db2.gz UITWVXJVAIKLIQ-UHFFFAOYSA-N 1 0 361.398 2.066 20 5 FEBDRO CCCC[NH+]1CCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067148514 541425486 /nfs/dbraw/zinc/42/54/86/541425486.db2.gz QTDITEPBOWQHMR-UHFFFAOYSA-N 1 0 372.429 2.170 20 5 FEBDRO COC(=O)c1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000067273375 541438886 /nfs/dbraw/zinc/43/88/86/541438886.db2.gz RQHNCKASWPIWJE-CYBMUJFWSA-N 1 0 363.414 2.232 20 5 FEBDRO Cc1nn(CCC(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000067206624 541432965 /nfs/dbraw/zinc/43/29/65/541432965.db2.gz OSCOZXICOFABSK-MRXNPFEDSA-N 1 0 371.441 2.318 20 5 FEBDRO O=C1[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399689 541457375 /nfs/dbraw/zinc/45/73/75/541457375.db2.gz DYSFYHKGNOSVTL-ZWKOTPCHSA-N 1 0 358.442 2.260 20 5 FEBDRO CC(=O)N(C)C1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000068576385 541611554 /nfs/dbraw/zinc/61/15/54/541611554.db2.gz ZRBBCLZSPMXKNB-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO CNS(=O)(=O)c1ccc(NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000068996968 541646811 /nfs/dbraw/zinc/64/68/11/541646811.db2.gz LUHRIEATRSGJLE-UHFFFAOYSA-N 1 0 370.475 2.179 20 5 FEBDRO COc1cc(OCC(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000069125242 541660760 /nfs/dbraw/zinc/66/07/60/541660760.db2.gz GYPKXKKXENGGLY-UHFFFAOYSA-N 1 0 365.430 2.363 20 5 FEBDRO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000069425392 541685884 /nfs/dbraw/zinc/68/58/84/541685884.db2.gz NEXDTVGQKFJBLP-HNNXBMFYSA-N 1 0 364.446 2.393 20 5 FEBDRO C[NH+](C)CCC1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469578 541687938 /nfs/dbraw/zinc/68/79/38/541687938.db2.gz JJVMXJVPSGBWSX-UHFFFAOYSA-N 1 0 364.446 2.347 20 5 FEBDRO COCCOC[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796465 541865515 /nfs/dbraw/zinc/86/55/15/541865515.db2.gz OEBMTRMRKNBRGK-HNNXBMFYSA-N 1 0 365.430 2.217 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072823997 541874012 /nfs/dbraw/zinc/87/40/12/541874012.db2.gz FUQGVMCYMJDILK-HNNXBMFYSA-N 1 0 360.458 2.148 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072834609 541876802 /nfs/dbraw/zinc/87/68/02/541876802.db2.gz GSDCRPZTBBKXJO-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000073051797 541913979 /nfs/dbraw/zinc/91/39/79/541913979.db2.gz KMCILJJNSYACIH-CYBMUJFWSA-N 1 0 365.393 2.411 20 5 FEBDRO CCC[C@H](C)Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000073394365 541949452 /nfs/dbraw/zinc/94/94/52/541949452.db2.gz PMCKDNVDENRFSW-ZDUSSCGKSA-N 1 0 372.491 2.425 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000073996342 542024280 /nfs/dbraw/zinc/02/42/80/542024280.db2.gz PGEFYRIIHNELRV-LSDHHAIUSA-N 1 0 361.398 2.080 20 5 FEBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075839071 542207669 /nfs/dbraw/zinc/20/76/69/542207669.db2.gz QJFKVISUWFYELI-ROUUACIJSA-N 1 0 359.430 2.055 20 5 FEBDRO Nc1c(C(=O)N2CCC([NH2+]C3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000077006732 542341858 /nfs/dbraw/zinc/34/18/58/542341858.db2.gz KTAYLAKUCNCNEV-UHFFFAOYSA-N 1 0 350.394 2.453 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000080272460 542581374 /nfs/dbraw/zinc/58/13/74/542581374.db2.gz CGMYLOXNJBPYPU-UHFFFAOYSA-N 1 0 370.409 2.124 20 5 FEBDRO CN(CC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081293948 542645287 /nfs/dbraw/zinc/64/52/87/542645287.db2.gz YDFKSFXJTILSOX-INIZCTEOSA-N 1 0 360.458 2.412 20 5 FEBDRO C[N@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081634707 542671240 /nfs/dbraw/zinc/67/12/40/542671240.db2.gz QWGNMOXVFLTRSJ-VQIMIIECSA-N 1 0 372.469 2.364 20 5 FEBDRO C[C@H](CC1CCCC1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015483 542780953 /nfs/dbraw/zinc/78/09/53/542780953.db2.gz OCFMCGGVXPFTQT-CYBMUJFWSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552115 542786216 /nfs/dbraw/zinc/78/62/16/542786216.db2.gz UJCQTDWPEXOUGM-INIZCTEOSA-N 1 0 356.426 2.487 20 5 FEBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092641116 542876384 /nfs/dbraw/zinc/87/63/84/542876384.db2.gz PVWUJUFBUKBSBB-KRWDZBQOSA-N 1 0 371.441 2.498 20 5 FEBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092641117 542876425 /nfs/dbraw/zinc/87/64/25/542876425.db2.gz PVWUJUFBUKBSBB-QGZVFWFLSA-N 1 0 371.441 2.498 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](CC)C(C)C)cc1OC ZINC000102496227 543072124 /nfs/dbraw/zinc/07/21/24/543072124.db2.gz RGFZIKUISATDIF-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000105326010 543171784 /nfs/dbraw/zinc/17/17/84/543171784.db2.gz CKODQCZIZZOLSC-SNVBAGLBSA-N 1 0 373.356 2.371 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2)CC1 ZINC000106937502 543257042 /nfs/dbraw/zinc/25/70/42/543257042.db2.gz JBSYYWONGAGNAC-MRXNPFEDSA-N 1 0 361.446 2.147 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000108326770 543286498 /nfs/dbraw/zinc/28/64/98/543286498.db2.gz RIYVUOJZIQSSCU-SNVBAGLBSA-N 1 0 373.356 2.276 20 5 FEBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108781681 543302357 /nfs/dbraw/zinc/30/23/57/543302357.db2.gz DLQNWOICJAJOAL-GFCCVEGCSA-N 1 0 362.386 2.334 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000109013520 543311392 /nfs/dbraw/zinc/31/13/92/543311392.db2.gz MELTWSUJPMFXPX-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO COc1ccc(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751183 543335888 /nfs/dbraw/zinc/33/58/88/543335888.db2.gz BCLBKQIJJHGJQT-KRWDZBQOSA-N 1 0 362.474 2.205 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109987170 543345503 /nfs/dbraw/zinc/34/55/03/543345503.db2.gz IKLDQANEDPJOKK-CHWSQXEVSA-N 1 0 372.425 2.287 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000110559706 543360323 /nfs/dbraw/zinc/36/03/23/543360323.db2.gz PVCTXOXJDOFBKE-GHMZBOCLSA-N 1 0 358.236 2.249 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110559710 543360744 /nfs/dbraw/zinc/36/07/44/543360744.db2.gz PVCTXOXJDOFBKE-WDEREUQCSA-N 1 0 358.236 2.249 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000113986960 543500335 /nfs/dbraw/zinc/50/03/35/543500335.db2.gz MIKHHZHJANMHBI-KGLIPLIRSA-N 1 0 362.430 2.422 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+](C)C)C1 ZINC000114198217 543507453 /nfs/dbraw/zinc/50/74/53/543507453.db2.gz NEGXEEHPPPKMLY-VXGBXAGGSA-N 1 0 354.838 2.459 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114467544 543518610 /nfs/dbraw/zinc/51/86/10/543518610.db2.gz QHZIFJVIEYKWKT-FXAWDEMLSA-N 1 0 372.421 2.316 20 5 FEBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000115275293 543557409 /nfs/dbraw/zinc/55/74/09/543557409.db2.gz NXIHSRXALKAVCD-CXAGYDPISA-N 1 0 364.446 2.165 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000117335564 543629830 /nfs/dbraw/zinc/62/98/30/543629830.db2.gz FUYRCLGGEHJKDF-ZDUSSCGKSA-N 1 0 361.398 2.394 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000122899371 543730515 /nfs/dbraw/zinc/73/05/15/543730515.db2.gz VJDXDODJAASHCS-UHFFFAOYSA-N 1 0 358.398 2.047 20 5 FEBDRO Cc1sc(S(=O)(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000122979873 543734802 /nfs/dbraw/zinc/73/48/02/543734802.db2.gz JBUBJGUJFRJGFD-UHFFFAOYSA-N 1 0 361.489 2.458 20 5 FEBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000123253785 543751391 /nfs/dbraw/zinc/75/13/91/543751391.db2.gz XDOFBIPEFFUDBS-UHFFFAOYSA-N 1 0 367.793 2.174 20 5 FEBDRO Cc1sc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000125450767 543882608 /nfs/dbraw/zinc/88/26/08/543882608.db2.gz QZCDDCKXGZHZEE-UHFFFAOYSA-N 1 0 361.489 2.460 20 5 FEBDRO Cc1cc(C(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000126918182 543963689 /nfs/dbraw/zinc/96/36/89/543963689.db2.gz ZLJOAPJFKVVMHQ-INIZCTEOSA-N 1 0 373.409 2.457 20 5 FEBDRO C[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000127263893 543981756 /nfs/dbraw/zinc/98/17/56/543981756.db2.gz XGDRYBIUQQOPJH-HZPDHXFCSA-N 1 0 360.458 2.269 20 5 FEBDRO Cc1c(CC(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000128776562 544072740 /nfs/dbraw/zinc/07/27/40/544072740.db2.gz IIGARWPYUJGLJG-GASCZTMLSA-N 1 0 363.458 2.451 20 5 FEBDRO O=C(CC[N@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128847097 544076669 /nfs/dbraw/zinc/07/66/69/544076669.db2.gz UKBYTIJNLCKKLP-CYBMUJFWSA-N 1 0 365.283 2.062 20 5 FEBDRO CN1CCC([NH+]2CCC(NC(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000130547315 544155608 /nfs/dbraw/zinc/15/56/08/544155608.db2.gz QOKGFOOUWCSEAH-UHFFFAOYSA-N 1 0 374.485 2.202 20 5 FEBDRO CC1(C)NC(=O)N(CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000130908416 544170352 /nfs/dbraw/zinc/17/03/52/544170352.db2.gz PTQJLKHHRQCZEW-UHFFFAOYSA-N 1 0 360.414 2.280 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531376 544193767 /nfs/dbraw/zinc/19/37/67/544193767.db2.gz NHMOBHMWYRHRET-XJKSGUPXSA-N 1 0 371.441 2.277 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000134402748 544306720 /nfs/dbraw/zinc/30/67/20/544306720.db2.gz OCYWQQRTWFDPAU-OAHLLOKOSA-N 1 0 353.419 2.271 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134598429 544314635 /nfs/dbraw/zinc/31/46/35/544314635.db2.gz FAIODUBRPDODRG-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO NC(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328435 /nfs/dbraw/zinc/32/84/35/544328435.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 1 0 358.442 2.142 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000150876657 544482374 /nfs/dbraw/zinc/48/23/74/544482374.db2.gz DJZMFJKRPYZLMY-HIFRSBDPSA-N 1 0 356.430 2.456 20 5 FEBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000153193900 544745818 /nfs/dbraw/zinc/74/58/18/544745818.db2.gz IHMVPEHADUSVNT-NSHDSACASA-N 1 0 370.247 2.358 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000154960836 544970703 /nfs/dbraw/zinc/97/07/03/544970703.db2.gz NLIGNJSEFPUXRM-UHFFFAOYSA-N 1 0 355.460 2.403 20 5 FEBDRO C[C@@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000178980275 327619656 /nfs/dbraw/zinc/61/96/56/327619656.db2.gz FGVTXJQSQCRVFV-QMTHXVAHSA-N 1 0 361.851 2.434 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000181718815 327743292 /nfs/dbraw/zinc/74/32/92/327743292.db2.gz AIWVWQSOLWQKNY-IAGOWNOFSA-N 1 0 363.458 2.285 20 5 FEBDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182681559 327784640 /nfs/dbraw/zinc/78/46/40/327784640.db2.gz MAKSFHDQYNXVOW-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000182774992 327788404 /nfs/dbraw/zinc/78/84/04/327788404.db2.gz UBDZZCQELNHVOG-UHFFFAOYSA-N 1 0 368.821 2.035 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000183626125 327827301 /nfs/dbraw/zinc/82/73/01/327827301.db2.gz DZQPSNQMQYZPEC-INIZCTEOSA-N 1 0 359.382 2.255 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183696535 327831010 /nfs/dbraw/zinc/83/10/10/327831010.db2.gz RMSJMRANHCJFPI-HNNXBMFYSA-N 1 0 353.419 2.319 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000184475386 327869221 /nfs/dbraw/zinc/86/92/21/327869221.db2.gz LSYLYYPJACTFSS-CCEZHUSRSA-N 1 0 359.426 2.321 20 5 FEBDRO O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000185158350 327903067 /nfs/dbraw/zinc/90/30/67/327903067.db2.gz IKUZQYZJBYCZLQ-IBGZPJMESA-N 1 0 369.421 2.155 20 5 FEBDRO CC1CC[NH+](C2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CC1 ZINC000185593260 327923970 /nfs/dbraw/zinc/92/39/70/327923970.db2.gz WNUYAZHOBFLCIN-UHFFFAOYSA-N 1 0 361.446 2.345 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804531432 674290869 /nfs/dbraw/zinc/29/08/69/674290869.db2.gz NNFPPSRWWLXNGS-CYBMUJFWSA-N 1 0 352.391 2.440 20 5 FEBDRO COc1c(Br)cccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000187308752 328015463 /nfs/dbraw/zinc/01/54/63/328015463.db2.gz BQFSKIVQOFTFGH-UHFFFAOYSA-N 1 0 355.192 2.352 20 5 FEBDRO CSc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188061069 328063179 /nfs/dbraw/zinc/06/31/79/328063179.db2.gz UFWFJKNQSMFUAW-UHFFFAOYSA-N 1 0 353.444 2.159 20 5 FEBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188163428 328070074 /nfs/dbraw/zinc/07/00/74/328070074.db2.gz PAYCJMCHMTWNSW-UHFFFAOYSA-N 1 0 356.382 2.221 20 5 FEBDRO CCC(CC)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000188209449 328073566 /nfs/dbraw/zinc/07/35/66/328073566.db2.gz ANFJUWGVVATUIB-MRXNPFEDSA-N 1 0 357.476 2.381 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188228125 328074548 /nfs/dbraw/zinc/07/45/48/328074548.db2.gz BOFLMXSIBVZFSL-VXGBXAGGSA-N 1 0 359.423 2.133 20 5 FEBDRO CCOc1cc(OCC(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000188601652 328097886 /nfs/dbraw/zinc/09/78/86/328097886.db2.gz DCWGBMULKDJFLZ-UHFFFAOYSA-N 1 0 365.430 2.361 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000188973861 328121082 /nfs/dbraw/zinc/12/10/82/328121082.db2.gz TXMFUBUEMPINLL-MFKMUULPSA-N 1 0 351.309 2.342 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190032839 328183632 /nfs/dbraw/zinc/18/36/32/328183632.db2.gz BZSGBWGUOLRJGN-AWEZNQCLSA-N 1 0 355.460 2.174 20 5 FEBDRO COC(=O)c1cnc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000190169029 328192400 /nfs/dbraw/zinc/19/24/00/328192400.db2.gz UGUUVTXLLBEGEZ-UHFFFAOYSA-N 1 0 371.397 2.248 20 5 FEBDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191201384 328253727 /nfs/dbraw/zinc/25/37/27/328253727.db2.gz QLXOSSODZBHFSB-INWMFGNUSA-N 1 0 372.381 2.418 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000191336293 328260739 /nfs/dbraw/zinc/26/07/39/328260739.db2.gz PXYUCYFIZDNAGT-UHFFFAOYSA-N 1 0 350.419 2.037 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)n1 ZINC000191650281 328275814 /nfs/dbraw/zinc/27/58/14/328275814.db2.gz VTMFDACEFPSTGL-AWEZNQCLSA-N 1 0 359.430 2.452 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000191917193 328288731 /nfs/dbraw/zinc/28/87/31/328288731.db2.gz ANLVOPVTLOHJSQ-CQSZACIVSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000192010140 328293801 /nfs/dbraw/zinc/29/38/01/328293801.db2.gz ZGTCATMTNNOUJH-ZIAGYGMSSA-N 1 0 355.460 2.363 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000192152405 328303084 /nfs/dbraw/zinc/30/30/84/328303084.db2.gz RXDKQCYFMJLUNC-BBRMVZONSA-N 1 0 363.805 2.006 20 5 FEBDRO CN1C(=O)C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000192155076 328303311 /nfs/dbraw/zinc/30/33/11/328303311.db2.gz GSLIUDXVZLZIMB-GOEBONIOSA-N 1 0 363.805 2.006 20 5 FEBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000192813058 328341071 /nfs/dbraw/zinc/34/10/71/328341071.db2.gz JYZAQILJNLQUAE-GFCCVEGCSA-N 1 0 354.370 2.317 20 5 FEBDRO C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000193033293 328353197 /nfs/dbraw/zinc/35/31/97/328353197.db2.gz PSTMWAWKIWHLRL-IINYFYTJSA-N 1 0 361.851 2.434 20 5 FEBDRO Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000193629223 328386558 /nfs/dbraw/zinc/38/65/58/328386558.db2.gz CSBDSGITBFSVMN-QGZVFWFLSA-N 1 0 363.462 2.297 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193870485 328399700 /nfs/dbraw/zinc/39/97/00/328399700.db2.gz RHJODCNMGAMJMK-CQSZACIVSA-N 1 0 364.402 2.047 20 5 FEBDRO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000194338467 328420462 /nfs/dbraw/zinc/42/04/62/328420462.db2.gz YNQLHYVJEIKNAG-LBPRGKRZSA-N 1 0 360.374 2.323 20 5 FEBDRO CN1CC[NH+](CC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000194495838 328427680 /nfs/dbraw/zinc/42/76/80/328427680.db2.gz FZWFJBWGXOIBRQ-UHFFFAOYSA-N 1 0 361.446 2.086 20 5 FEBDRO CC(C)[NH+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000041488097 324509916 /nfs/dbraw/zinc/50/99/16/324509916.db2.gz YKRJPKIHKIWURY-UHFFFAOYSA-N 1 0 351.451 2.425 20 5 FEBDRO CC1CC[NH+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055591609 324781903 /nfs/dbraw/zinc/78/19/03/324781903.db2.gz GCNRTPDRFZJOJG-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO COCC[N@H+](C)CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080080431 325117189 /nfs/dbraw/zinc/11/71/89/325117189.db2.gz AHFSKVPGXALBKK-UHFFFAOYSA-N 1 0 352.435 2.097 20 5 FEBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237534746 328519100 /nfs/dbraw/zinc/51/91/00/328519100.db2.gz SLPPSMIHFLSCCS-CBAPKCEASA-N 1 0 368.242 2.402 20 5 FEBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237878384 328532582 /nfs/dbraw/zinc/53/25/82/328532582.db2.gz BIMXXZRIXLZLPZ-MQVJKMGUSA-N 1 0 358.442 2.164 20 5 FEBDRO NC(=O)CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104674573 325542496 /nfs/dbraw/zinc/54/24/96/325542496.db2.gz LPEZRWKBPQLGGX-UHFFFAOYSA-N 1 0 358.398 2.380 20 5 FEBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116732576 326031680 /nfs/dbraw/zinc/03/16/80/326031680.db2.gz OCAPQYNSOCWJTH-GFCCVEGCSA-N 1 0 355.822 2.475 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118114536 326082159 /nfs/dbraw/zinc/08/21/59/326082159.db2.gz XIWVBFCTGRDAPQ-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO Cc1c(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000118792932 326102701 /nfs/dbraw/zinc/10/27/01/326102701.db2.gz OGVXVTDTZAQUDY-CQSZACIVSA-N 1 0 350.419 2.478 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000119877902 326207798 /nfs/dbraw/zinc/20/77/98/326207798.db2.gz RHSHOTGYQDFFKJ-CYBMUJFWSA-N 1 0 353.444 2.157 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000121766127 326365093 /nfs/dbraw/zinc/36/50/93/326365093.db2.gz FTRGAXCRYINGHZ-ZDUSSCGKSA-N 1 0 360.414 2.009 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000122170419 326386526 /nfs/dbraw/zinc/38/65/26/326386526.db2.gz XHKABQBELVZLOY-GOEBONIOSA-N 1 0 374.441 2.093 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122347896 326393381 /nfs/dbraw/zinc/39/33/81/326393381.db2.gz XJMNXUDVPWQHNL-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000122421614 326396062 /nfs/dbraw/zinc/39/60/62/326396062.db2.gz IHHBWEXPUPPJOC-UKRRQHHQSA-N 1 0 353.444 2.008 20 5 FEBDRO CCC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000123492685 326433621 /nfs/dbraw/zinc/43/36/21/326433621.db2.gz QYCCLAXWLXRUGT-UHFFFAOYSA-N 1 0 361.489 2.365 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000127804913 326512850 /nfs/dbraw/zinc/51/28/50/326512850.db2.gz ULNUNMCCHNNGIU-UHFFFAOYSA-N 1 0 363.462 2.359 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000127894975 326514448 /nfs/dbraw/zinc/51/44/48/326514448.db2.gz UJYBYMQGVCCVAK-HIFRSBDPSA-N 1 0 363.414 2.093 20 5 FEBDRO CCOC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH+](C)CC1 ZINC000134326438 326623599 /nfs/dbraw/zinc/62/35/99/326623599.db2.gz MMNUGIARMAUBSW-UHFFFAOYSA-N 1 0 369.805 2.006 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000136834858 326655805 /nfs/dbraw/zinc/65/58/05/326655805.db2.gz QTVBEVROIXTZSK-ZDUSSCGKSA-N 1 0 372.425 2.307 20 5 FEBDRO CC[NH+](CC)CCCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152259376 326702742 /nfs/dbraw/zinc/70/27/42/326702742.db2.gz QRQIKGBPPQRHFO-UHFFFAOYSA-N 1 0 372.491 2.379 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000156217846 326822327 /nfs/dbraw/zinc/82/23/27/326822327.db2.gz OMECZCVXMCTTET-JSGCOSHPSA-N 1 0 357.414 2.195 20 5 FEBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H]1C[NH3+] ZINC000156728687 326842130 /nfs/dbraw/zinc/84/21/30/326842130.db2.gz LPPVOWSEFYROBQ-YGRLFVJLSA-N 1 0 370.247 2.486 20 5 FEBDRO CC(C)OCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000159218424 326923262 /nfs/dbraw/zinc/92/32/62/326923262.db2.gz RPMPSEUIWUWOKP-UHFFFAOYSA-N 1 0 367.421 2.282 20 5 FEBDRO CC(C)(CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000160535534 326968733 /nfs/dbraw/zinc/96/87/33/326968733.db2.gz LNEOOVCEQOKSNG-UHFFFAOYSA-N 1 0 369.487 2.321 20 5 FEBDRO Cc1cc(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000160532859 326968762 /nfs/dbraw/zinc/96/87/62/326968762.db2.gz SLAVBVGKFBECSR-ZWKOTPCHSA-N 1 0 361.442 2.401 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000161959049 327013332 /nfs/dbraw/zinc/01/33/32/327013332.db2.gz UITFTOXESQSKFA-NSHDSACASA-N 1 0 355.441 2.285 20 5 FEBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162185411 327018890 /nfs/dbraw/zinc/01/88/90/327018890.db2.gz XXUBAENWHXVDCU-JTQLQIEISA-N 1 0 356.220 2.429 20 5 FEBDRO Cc1c([C@H](C)[NH2+]CCN2CCN(c3ncccn3)CC2)cccc1[N+](=O)[O-] ZINC000164279128 327067825 /nfs/dbraw/zinc/06/78/25/327067825.db2.gz JGNUMBGJXMNZET-INIZCTEOSA-N 1 0 370.457 2.166 20 5 FEBDRO C[NH+](C)CC1CCC(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000165313737 327077430 /nfs/dbraw/zinc/07/74/30/327077430.db2.gz QGDIFZQKDREKBO-UHFFFAOYSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC[NH2+]CC1 ZINC000165538823 327078460 /nfs/dbraw/zinc/07/84/60/327078460.db2.gz AMLVNSBGGUPBOD-OAHLLOKOSA-N 1 0 360.458 2.269 20 5 FEBDRO C[NH+](C)CCNC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172177678 327185753 /nfs/dbraw/zinc/18/57/53/327185753.db2.gz SDXOXMLZTKRQQC-UHFFFAOYSA-N 1 0 368.865 2.138 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H](OCCO)C3)o2)c1 ZINC000172301544 327194163 /nfs/dbraw/zinc/19/41/63/327194163.db2.gz DUPRBKBSKZXGOZ-INIZCTEOSA-N 1 0 361.398 2.266 20 5 FEBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000172464132 327203038 /nfs/dbraw/zinc/20/30/38/327203038.db2.gz ICMJKETWZBDBGV-UHFFFAOYSA-N 1 0 369.368 2.057 20 5 FEBDRO C[C@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000172485178 327203648 /nfs/dbraw/zinc/20/36/48/327203648.db2.gz AUMPGGCGFNOZAS-DOTOQJQBSA-N 1 0 371.441 2.303 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)c1 ZINC000173103759 327235437 /nfs/dbraw/zinc/23/54/37/327235437.db2.gz YZRJZSARTHGLQZ-UHFFFAOYSA-N 1 0 356.382 2.316 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000173239862 327243307 /nfs/dbraw/zinc/24/33/07/327243307.db2.gz ZNJPWGVKOZQXKQ-WFASDCNBSA-N 1 0 355.460 2.118 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000173243022 327243656 /nfs/dbraw/zinc/24/36/56/327243656.db2.gz GGFXVZRTQNGLRK-SWLSCSKDSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000173286814 327247142 /nfs/dbraw/zinc/24/71/42/327247142.db2.gz VRVRPHLPARVROT-QGZVFWFLSA-N 1 0 360.458 2.145 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173374797 327252582 /nfs/dbraw/zinc/25/25/82/327252582.db2.gz GLQBRAFOHWZPKS-CALCHBBNSA-N 1 0 374.485 2.154 20 5 FEBDRO Cc1ccc(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000173762405 327282109 /nfs/dbraw/zinc/28/21/09/327282109.db2.gz FEJGTHHDWRUOKH-INIZCTEOSA-N 1 0 360.414 2.004 20 5 FEBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000173799226 327284838 /nfs/dbraw/zinc/28/48/38/327284838.db2.gz UPIOSNGRBTZFIO-CYBMUJFWSA-N 1 0 372.425 2.240 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173827671 327287061 /nfs/dbraw/zinc/28/70/61/327287061.db2.gz ILAWRDCIHDWZDI-ZIAGYGMSSA-N 1 0 353.444 2.151 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000173828151 327287304 /nfs/dbraw/zinc/28/73/04/327287304.db2.gz JJHDEDZOXVDWHV-GOEBONIOSA-N 1 0 367.471 2.405 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173920577 327294617 /nfs/dbraw/zinc/29/46/17/327294617.db2.gz AVZWNCZAEPXFPX-KBPBESRZSA-N 1 0 364.446 2.204 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174538810 327333339 /nfs/dbraw/zinc/33/33/39/327333339.db2.gz VODGMJZGFYCHAE-LBPRGKRZSA-N 1 0 351.403 2.026 20 5 FEBDRO Cc1ccc(OC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000174737166 327346961 /nfs/dbraw/zinc/34/69/61/327346961.db2.gz BQXMYPAIAKKCPY-KRWDZBQOSA-N 1 0 374.441 2.312 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000261689403 328811912 /nfs/dbraw/zinc/81/19/12/328811912.db2.gz DWCUSMGGRIPXCM-BETUJISGSA-N 1 0 363.414 2.074 20 5 FEBDRO CN(C(=O)CN1CC[NH2+]C[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000261718245 328814352 /nfs/dbraw/zinc/81/43/52/328814352.db2.gz KYKRQOIHEWJWRZ-GOSISDBHSA-N 1 0 372.400 2.343 20 5 FEBDRO COc1ccccc1[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261862998 328825161 /nfs/dbraw/zinc/82/51/61/328825161.db2.gz WPABFJZBJWEPIG-KRWDZBQOSA-N 1 0 370.409 2.188 20 5 FEBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000262243914 328853747 /nfs/dbraw/zinc/85/37/47/328853747.db2.gz PHURJARMGPFLIE-UHFFFAOYSA-N 1 0 361.789 2.305 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262464906 328867511 /nfs/dbraw/zinc/86/75/11/328867511.db2.gz XRVRRLXQYBZXME-MRXNPFEDSA-N 1 0 359.357 2.116 20 5 FEBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262807658 328891359 /nfs/dbraw/zinc/89/13/59/328891359.db2.gz ONLDZVBVXDHTRZ-TVQRCGJNSA-N 1 0 356.220 2.014 20 5 FEBDRO Cc1nn(CCC(=O)NCc2ccccc2C[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000263648384 328948862 /nfs/dbraw/zinc/94/88/62/328948862.db2.gz GEIDIHNRFLFMQP-UHFFFAOYSA-N 1 0 359.430 2.176 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264604753 329039959 /nfs/dbraw/zinc/03/99/59/329039959.db2.gz OEPOILFRQZIRJQ-GFCCVEGCSA-N 1 0 373.862 2.497 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000264838312 329066257 /nfs/dbraw/zinc/06/62/57/329066257.db2.gz KMELAYKESLOPHC-UHFFFAOYSA-N 1 0 358.398 2.453 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265558202 329138726 /nfs/dbraw/zinc/13/87/26/329138726.db2.gz RSRUVJLWFUZVML-CYBMUJFWSA-N 1 0 353.854 2.250 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265966981 329177599 /nfs/dbraw/zinc/17/75/99/329177599.db2.gz SWXTVXXXEDUJDT-CYBMUJFWSA-N 1 0 365.430 2.462 20 5 FEBDRO Cc1nn(C)c(NCc2ccccc2C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000266213737 329200982 /nfs/dbraw/zinc/20/09/82/329200982.db2.gz GOAZAVOQQGOSLP-UHFFFAOYSA-N 1 0 359.430 2.206 20 5 FEBDRO CCOc1ccc(C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000266563061 329236489 /nfs/dbraw/zinc/23/64/89/329236489.db2.gz YHTPYFIRSOVRDZ-QGZVFWFLSA-N 1 0 362.430 2.462 20 5 FEBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266645168 329245247 /nfs/dbraw/zinc/24/52/47/329245247.db2.gz MIDYWISGQNEHAP-UHFFFAOYSA-N 1 0 361.442 2.241 20 5 FEBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000267011342 329282821 /nfs/dbraw/zinc/28/28/21/329282821.db2.gz HLPRNRVSICADKX-MRXNPFEDSA-N 1 0 352.866 2.460 20 5 FEBDRO C[NH+](C)[C@@]1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCSC1 ZINC000267041808 329285846 /nfs/dbraw/zinc/28/58/46/329285846.db2.gz CSIXFWDUTIEKAY-MRXNPFEDSA-N 1 0 350.444 2.329 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267988188 329374417 /nfs/dbraw/zinc/37/44/17/329374417.db2.gz ZUMCGQDALGCGSW-QMMMGPOBSA-N 1 0 360.183 2.178 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000268168775 329392798 /nfs/dbraw/zinc/39/27/98/329392798.db2.gz IZDGMQRMEQGKOM-ZDUSSCGKSA-N 1 0 365.430 2.320 20 5 FEBDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000268892494 329465546 /nfs/dbraw/zinc/46/55/46/329465546.db2.gz AUOGNBGGGGDYJZ-CYBMUJFWSA-N 1 0 363.439 2.396 20 5 FEBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)nc2)C1 ZINC000269470726 329523393 /nfs/dbraw/zinc/52/33/93/329523393.db2.gz YSRIEDPSDBLSQR-KRWDZBQOSA-N 1 0 369.425 2.311 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000270710986 329624565 /nfs/dbraw/zinc/62/45/65/329624565.db2.gz ZQZPMCJYBWHNHE-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000271829468 329728976 /nfs/dbraw/zinc/72/89/76/329728976.db2.gz WUCXYHDCBLCVCP-OAHLLOKOSA-N 1 0 359.382 2.255 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000271965224 329741055 /nfs/dbraw/zinc/74/10/55/329741055.db2.gz GNRXTMWXNVSKOM-DZGCQCFKSA-N 1 0 374.846 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000272498726 329786003 /nfs/dbraw/zinc/78/60/03/329786003.db2.gz RCRRZNKUFWRZFZ-KRWDZBQOSA-N 1 0 367.471 2.027 20 5 FEBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000272862871 329818896 /nfs/dbraw/zinc/81/88/96/329818896.db2.gz SEWVSVBIEFOTJJ-ACJLOTCBSA-N 1 0 374.441 2.277 20 5 FEBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000274106498 329916056 /nfs/dbraw/zinc/91/60/56/329916056.db2.gz VHWORSBEFLAQHJ-QWHCGFSZSA-N 1 0 351.403 2.409 20 5 FEBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279075261 330173152 /nfs/dbraw/zinc/17/31/52/330173152.db2.gz UMSQXZSOIGJXIZ-JTQLQIEISA-N 1 0 363.805 2.320 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000367038861 330210146 /nfs/dbraw/zinc/21/01/46/330210146.db2.gz RSWQSHBHSFXZIP-WMLDXEAASA-N 1 0 374.441 2.222 20 5 FEBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000367090873 330215771 /nfs/dbraw/zinc/21/57/71/330215771.db2.gz DMSYAXRXAZNCET-LSDHHAIUSA-N 1 0 366.393 2.105 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000377933934 330253011 /nfs/dbraw/zinc/25/30/11/330253011.db2.gz XVNWEJNNUCGYNI-UHFFFAOYSA-N 1 0 369.223 2.087 20 5 FEBDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000554051599 674301749 /nfs/dbraw/zinc/30/17/49/674301749.db2.gz ZOZUAMRFQUADNN-HUUCEWRRSA-N 1 0 355.460 2.287 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000156016315 545592790 /nfs/dbraw/zinc/59/27/90/545592790.db2.gz IFODXLHFFODPMQ-LJQANCHMSA-N 1 0 369.421 2.467 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1Cl ZINC000156691311 545647523 /nfs/dbraw/zinc/64/75/23/545647523.db2.gz IEKWJDTZGMZXPL-ZDUSSCGKSA-N 1 0 355.822 2.215 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158772985 545893513 /nfs/dbraw/zinc/89/35/13/545893513.db2.gz KTUXRFDSSKHZJM-IBGZPJMESA-N 1 0 358.442 2.411 20 5 FEBDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159399231 545950156 /nfs/dbraw/zinc/95/01/56/545950156.db2.gz RHJIWAJEEKSWHJ-HNNXBMFYSA-N 1 0 355.460 2.197 20 5 FEBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000478568660 561169788 /nfs/dbraw/zinc/16/97/88/561169788.db2.gz XKOBTQQEWQWGMW-KGLIPLIRSA-N 1 0 372.429 2.168 20 5 FEBDRO CC(C)C[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000160168159 546013567 /nfs/dbraw/zinc/01/35/67/546013567.db2.gz YQBYWZLZSRUTRR-UHFFFAOYSA-N 1 0 357.414 2.194 20 5 FEBDRO [NH3+]C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000160161505 546013627 /nfs/dbraw/zinc/01/36/27/546013627.db2.gz DQWAYXGNLCKUGE-LBPRGKRZSA-N 1 0 361.851 2.434 20 5 FEBDRO [NH3+]C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 ZINC000479202257 561184276 /nfs/dbraw/zinc/18/42/76/561184276.db2.gz BLTFTYVPFDLATR-SFHVURJKSA-N 1 0 372.400 2.125 20 5 FEBDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479543511 561191670 /nfs/dbraw/zinc/19/16/70/561191670.db2.gz KRMKWPMCBYAJIX-YOEHRIQHSA-N 1 0 367.471 2.455 20 5 FEBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000479776658 561196887 /nfs/dbraw/zinc/19/68/87/561196887.db2.gz IPYGLZBYNKENJD-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000479884409 561198726 /nfs/dbraw/zinc/19/87/26/561198726.db2.gz NENPRGLHJGKXKC-UHFFFAOYSA-N 1 0 366.443 2.391 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000176938755 546511697 /nfs/dbraw/zinc/51/16/97/546511697.db2.gz LNVRQLIJKDJHAS-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000176975515 546516717 /nfs/dbraw/zinc/51/67/17/546516717.db2.gz DAIIQQNPWDZZAN-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO C[C@H](CCc1ccco1)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000178000249 546721131 /nfs/dbraw/zinc/72/11/31/546721131.db2.gz JHBKQWSNNRFHFT-CYBMUJFWSA-N 1 0 367.427 2.077 20 5 FEBDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000481425757 561232581 /nfs/dbraw/zinc/23/25/81/561232581.db2.gz LOXZHQJGEMZMJQ-FFSVYQOJSA-N 1 0 368.821 2.171 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000178944510 546877867 /nfs/dbraw/zinc/87/78/67/546877867.db2.gz ZRBQSYSJSDZYCU-CABCVRRESA-N 1 0 369.487 2.177 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179219708 546916828 /nfs/dbraw/zinc/91/68/28/546916828.db2.gz GPCOQNOESPHETL-HNNXBMFYSA-N 1 0 369.425 2.481 20 5 FEBDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)ccc2NC1=O ZINC000180004940 547037344 /nfs/dbraw/zinc/03/73/44/547037344.db2.gz HXFFOEMQQZTXNV-BXUZGUMPSA-N 1 0 359.386 2.252 20 5 FEBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000180498261 547118786 /nfs/dbraw/zinc/11/87/86/547118786.db2.gz XTNZGHYQSBBXCW-CYBMUJFWSA-N 1 0 361.427 2.200 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000483202674 561270269 /nfs/dbraw/zinc/27/02/69/561270269.db2.gz ZMFWADZFLGRQIN-UHFFFAOYSA-N 1 0 358.398 2.199 20 5 FEBDRO CNc1c(C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000483378801 561275322 /nfs/dbraw/zinc/27/53/22/561275322.db2.gz FMRWETIFLHBQDL-LSDHHAIUSA-N 1 0 364.471 2.288 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181563141 547336353 /nfs/dbraw/zinc/33/63/53/547336353.db2.gz ADVRVYSONJXMKR-LBPRGKRZSA-N 1 0 373.356 2.037 20 5 FEBDRO CC(C)CCO[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181976379 547416543 /nfs/dbraw/zinc/41/65/43/547416543.db2.gz JXOZPOXZTYBMBG-JKSUJKDBSA-N 1 0 352.431 2.472 20 5 FEBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)CCc3ccccc3)C2)nc1 ZINC000182524640 547508634 /nfs/dbraw/zinc/50/86/34/547508634.db2.gz LNWSSGLSTMUDCD-FUHWJXTLSA-N 1 0 356.426 2.470 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183590786 547686515 /nfs/dbraw/zinc/68/65/15/547686515.db2.gz TYBBFSGEQQEHQQ-UHFFFAOYSA-N 1 0 359.386 2.252 20 5 FEBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000484636771 561301784 /nfs/dbraw/zinc/30/17/84/561301784.db2.gz KKYUROMQIGTPFV-ZBFHGGJFSA-N 1 0 351.403 2.015 20 5 FEBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000484638212 561301909 /nfs/dbraw/zinc/30/19/09/561301909.db2.gz XAZZDBDBYKJAFM-DUVNUKRYSA-N 1 0 351.403 2.014 20 5 FEBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000183911748 547739128 /nfs/dbraw/zinc/73/91/28/547739128.db2.gz RRFUUWDKYCAXGG-OAHLLOKOSA-N 1 0 359.430 2.215 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000184176434 547781212 /nfs/dbraw/zinc/78/12/12/547781212.db2.gz NYMYYEWIYPJCSW-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184193255 547784335 /nfs/dbraw/zinc/78/43/35/547784335.db2.gz KWWBBQDMSVPCIM-UHFFFAOYSA-N 1 0 368.865 2.394 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000184375022 547816247 /nfs/dbraw/zinc/81/62/47/547816247.db2.gz NOAMMINYXZOWEK-MRXNPFEDSA-N 1 0 368.437 2.471 20 5 FEBDRO O=C(NCCCC[NH+]1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184457373 547830116 /nfs/dbraw/zinc/83/01/16/547830116.db2.gz LUGNFCVYQPOYMU-UHFFFAOYSA-N 1 0 370.837 2.160 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000184770750 547877187 /nfs/dbraw/zinc/87/71/87/547877187.db2.gz OXFMSOYKXDTIEB-DZGCQCFKSA-N 1 0 367.421 2.310 20 5 FEBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000185433496 547984525 /nfs/dbraw/zinc/98/45/25/547984525.db2.gz BQQXABHYIPADJE-ZDUSSCGKSA-N 1 0 372.425 2.431 20 5 FEBDRO C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000185469802 547988659 /nfs/dbraw/zinc/98/86/59/547988659.db2.gz QNXJVJDUAKHTMX-ZIAGYGMSSA-N 1 0 365.405 2.018 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185812574 548038989 /nfs/dbraw/zinc/03/89/89/548038989.db2.gz QOMQMMSWVJRMPE-UHFFFAOYSA-N 1 0 350.419 2.183 20 5 FEBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186042867 548076424 /nfs/dbraw/zinc/07/64/24/548076424.db2.gz QVLZBMRORMTWKT-LBPRGKRZSA-N 1 0 369.853 2.396 20 5 FEBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186801235 548196574 /nfs/dbraw/zinc/19/65/74/548196574.db2.gz SATVKIULCODFLQ-UHFFFAOYSA-N 1 0 350.375 2.286 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH+]2CCC1CC2 ZINC000188842825 548288957 /nfs/dbraw/zinc/28/89/57/548288957.db2.gz UMNGPMXDYYDHFR-UHFFFAOYSA-N 1 0 361.445 2.461 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000194031659 548425142 /nfs/dbraw/zinc/42/51/42/548425142.db2.gz FSBCBUVNZVENDS-QGZVFWFLSA-N 1 0 370.409 2.336 20 5 FEBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000194869240 548543091 /nfs/dbraw/zinc/54/30/91/548543091.db2.gz NJAHDSLZVMESRN-GOSISDBHSA-N 1 0 363.414 2.105 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486869148 561358639 /nfs/dbraw/zinc/35/86/39/561358639.db2.gz PLHWDMJTZRFYFQ-LBPRGKRZSA-N 1 0 364.402 2.105 20 5 FEBDRO CCC1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000236643255 548770236 /nfs/dbraw/zinc/77/02/36/548770236.db2.gz LFPNXLJUURXHFX-UHFFFAOYSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000487501357 561370958 /nfs/dbraw/zinc/37/09/58/561370958.db2.gz KLRAMUJDMYOZAH-UHFFFAOYSA-N 1 0 353.382 2.463 20 5 FEBDRO COc1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237272323 548813239 /nfs/dbraw/zinc/81/32/39/548813239.db2.gz WPYQESRUNKMVSR-CYBMUJFWSA-N 1 0 351.403 2.249 20 5 FEBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000237339573 548819918 /nfs/dbraw/zinc/81/99/18/548819918.db2.gz ZCVTYXHLMGRKFI-GFCCVEGCSA-N 1 0 359.430 2.042 20 5 FEBDRO C[C@H](C[NH3+])CNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000237585360 548836148 /nfs/dbraw/zinc/83/61/48/548836148.db2.gz DXJROBQXGINDGQ-MRVPVSSYSA-N 1 0 372.212 2.412 20 5 FEBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487953546 561379778 /nfs/dbraw/zinc/37/97/78/561379778.db2.gz RISSLKYOKDHZMR-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245840403 549002034 /nfs/dbraw/zinc/00/20/34/549002034.db2.gz CIEGBDOEMZYYAN-ZNMIVQPWSA-N 1 0 364.446 2.061 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000246555985 549160971 /nfs/dbraw/zinc/16/09/71/549160971.db2.gz KQFDIIWDNQMYJN-DLBZAZTESA-N 1 0 350.415 2.116 20 5 FEBDRO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000246808427 549218224 /nfs/dbraw/zinc/21/82/24/549218224.db2.gz RVMYNKOFFJRQEX-HKUYNNGSSA-N 1 0 369.421 2.208 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248433364 549436403 /nfs/dbraw/zinc/43/64/03/549436403.db2.gz XFOXNBZCJOGMFC-DZGCQCFKSA-N 1 0 355.460 2.087 20 5 FEBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248478022 549447702 /nfs/dbraw/zinc/44/77/02/549447702.db2.gz ZAWBHXKGGXVMKS-UKRRQHHQSA-N 1 0 360.414 2.077 20 5 FEBDRO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248477331 549447877 /nfs/dbraw/zinc/44/78/77/549447877.db2.gz OQMCGUCTGBTBCI-QMTHXVAHSA-N 1 0 359.423 2.003 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1 ZINC000249209390 549569759 /nfs/dbraw/zinc/56/97/59/549569759.db2.gz ADOFRTRPRMTGHA-KBAYOESNSA-N 1 0 360.414 2.305 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249238335 549572244 /nfs/dbraw/zinc/57/22/44/549572244.db2.gz WJCYGILVOFCKLP-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1C ZINC000249771639 549627851 /nfs/dbraw/zinc/62/78/51/549627851.db2.gz SPRONHIDFXIAKS-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO O=C([C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000255555412 549707731 /nfs/dbraw/zinc/70/77/31/549707731.db2.gz XXJNNFASJFUPRX-SVEBXFOSSA-N 1 0 359.426 2.179 20 5 FEBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261666426 549740486 /nfs/dbraw/zinc/74/04/86/549740486.db2.gz HILXBRGDXRSFST-DOPJRALCSA-N 1 0 354.410 2.349 20 5 FEBDRO [NH3+]C1(c2noc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)n2)CCCC1 ZINC000261781704 549754778 /nfs/dbraw/zinc/75/47/78/549754778.db2.gz NXCUWBXIFUCBLC-SNVBAGLBSA-N 1 0 361.358 2.276 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000262062521 549784358 /nfs/dbraw/zinc/78/43/58/549784358.db2.gz OCWGTUBFRCYQSY-UHFFFAOYSA-N 1 0 351.403 2.074 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262188378 549796772 /nfs/dbraw/zinc/79/67/72/549796772.db2.gz JJRIDIAXGLSATQ-INIZCTEOSA-N 1 0 361.423 2.069 20 5 FEBDRO CC(C)(NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000262831582 549853828 /nfs/dbraw/zinc/85/38/28/549853828.db2.gz QKPOXYHFICCOEF-HNNXBMFYSA-N 1 0 357.414 2.381 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1OC(F)F ZINC000269202691 550167273 /nfs/dbraw/zinc/16/72/73/550167273.db2.gz XTPYQBXAXDZCLZ-ZJUUUORDSA-N 1 0 371.340 2.171 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269666087 550215224 /nfs/dbraw/zinc/21/52/24/550215224.db2.gz JLEGGPSEQZZORW-ZFWWWQNUSA-N 1 0 364.446 2.475 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493390331 561455815 /nfs/dbraw/zinc/45/58/15/561455815.db2.gz USRQZHTVKBGQLX-WBVHZDCISA-N 1 0 351.403 2.073 20 5 FEBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270658176 550293963 /nfs/dbraw/zinc/29/39/63/550293963.db2.gz NFAGLNJABQAYSE-OAHLLOKOSA-N 1 0 361.398 2.308 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCO1 ZINC000270709809 550299299 /nfs/dbraw/zinc/29/92/99/550299299.db2.gz HTBPWPVXXBHOGQ-CQSZACIVSA-N 1 0 351.403 2.433 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000270797172 550307946 /nfs/dbraw/zinc/30/79/46/550307946.db2.gz FJJFPMKIRFGPPQ-HKUYNNGSSA-N 1 0 369.421 2.208 20 5 FEBDRO C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000270973283 550327495 /nfs/dbraw/zinc/32/74/95/550327495.db2.gz UFJWCUZTDJEDLX-UKRRQHHQSA-N 1 0 357.414 2.111 20 5 FEBDRO COCCCOCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000271546992 550384507 /nfs/dbraw/zinc/38/45/07/550384507.db2.gz KULOEMWOSFHPNA-UHFFFAOYSA-N 1 0 353.419 2.217 20 5 FEBDRO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271622727 550389921 /nfs/dbraw/zinc/38/99/21/550389921.db2.gz NDUIPLCYCOXYJO-KFWWJZLASA-N 1 0 364.446 2.454 20 5 FEBDRO CCCC[N@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000271694564 550395804 /nfs/dbraw/zinc/39/58/04/550395804.db2.gz FZJUDHOGGUQHPF-UHFFFAOYSA-N 1 0 353.419 2.417 20 5 FEBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521064 550455258 /nfs/dbraw/zinc/45/52/58/550455258.db2.gz PXHNNOONLFWLMO-QWHCGFSZSA-N 1 0 353.423 2.026 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000272550188 550457347 /nfs/dbraw/zinc/45/73/47/550457347.db2.gz CYJCTYSUUQNRHX-BEFAXECRSA-N 1 0 372.469 2.364 20 5 FEBDRO Cn1ccnc1[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566947 550458163 /nfs/dbraw/zinc/45/81/63/550458163.db2.gz VFXFBHPWSVTLHS-RDTXWAMCSA-N 1 0 355.442 2.492 20 5 FEBDRO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272846078 550473298 /nfs/dbraw/zinc/47/32/98/550473298.db2.gz GXCODDNUDSFKBS-CYBMUJFWSA-N 1 0 355.398 2.161 20 5 FEBDRO COc1ccc(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272875417 550474893 /nfs/dbraw/zinc/47/48/93/550474893.db2.gz VSDZWEHDURBHDR-CHWSQXEVSA-N 1 0 366.418 2.224 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1OC ZINC000274934214 550565910 /nfs/dbraw/zinc/56/59/10/550565910.db2.gz OYEUFSCAECNYNE-NUJGCVRESA-N 1 0 360.414 2.277 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494751077 561475812 /nfs/dbraw/zinc/47/58/12/561475812.db2.gz IZCPOSNUCBMALS-UHFFFAOYSA-N 1 0 358.398 2.169 20 5 FEBDRO COCCN(C)c1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000276953779 550615092 /nfs/dbraw/zinc/61/50/92/550615092.db2.gz KJEXALFWUHOMBE-UHFFFAOYSA-N 1 0 360.414 2.371 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277291912 550652553 /nfs/dbraw/zinc/65/25/53/550652553.db2.gz OHAYDCUHZHXSIX-CYBMUJFWSA-N 1 0 350.375 2.368 20 5 FEBDRO COc1ccc(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277507788 550678937 /nfs/dbraw/zinc/67/89/37/550678937.db2.gz PWOXXKBYZQIXHP-ZDUSSCGKSA-N 1 0 366.418 2.226 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277629729 550694228 /nfs/dbraw/zinc/69/42/28/550694228.db2.gz JHBAYJUEDVHQTC-OAHLLOKOSA-N 1 0 364.446 2.237 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000277739168 550708561 /nfs/dbraw/zinc/70/85/61/550708561.db2.gz YBOODGWFHHNMTC-GMSGAONNSA-N 1 0 360.183 2.224 20 5 FEBDRO COCCO[C@@H]1C[C@@H](CO)C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253800 550765578 /nfs/dbraw/zinc/76/55/78/550765578.db2.gz HOPNPSREEBRQGS-BFYDXBDKSA-N 1 0 352.431 2.310 20 5 FEBDRO COc1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000278332649 550774160 /nfs/dbraw/zinc/77/41/60/550774160.db2.gz WPHUDEKRVCXLMO-BDAKNGLRSA-N 1 0 359.329 2.075 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000278601954 550803177 /nfs/dbraw/zinc/80/31/77/550803177.db2.gz FRIGIIOAMKTWQE-LRDDRELGSA-N 1 0 374.445 2.343 20 5 FEBDRO CN(C)C(=O)CN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279142827 550858401 /nfs/dbraw/zinc/85/84/01/550858401.db2.gz RZKMIFQUVHAUGO-SFHVURJKSA-N 1 0 374.485 2.459 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000279342872 550879893 /nfs/dbraw/zinc/87/98/93/550879893.db2.gz PXHUDKWANMJAFF-SJKOYZFVSA-N 1 0 363.414 2.431 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280355840 550984577 /nfs/dbraw/zinc/98/45/77/550984577.db2.gz IQCCWISXGGJESP-RDTXWAMCSA-N 1 0 363.414 2.112 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000281013847 551054954 /nfs/dbraw/zinc/05/49/54/551054954.db2.gz RGEYDPQVTSVFAS-UHFFFAOYSA-N 1 0 370.409 2.141 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000281085377 551061909 /nfs/dbraw/zinc/06/19/09/551061909.db2.gz RWKNZQZNHQVJGI-NVXWUHKLSA-N 1 0 369.425 2.243 20 5 FEBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281413576 551094347 /nfs/dbraw/zinc/09/43/47/551094347.db2.gz OHYBUGSDEKTALJ-ZDUSSCGKSA-N 1 0 351.403 2.433 20 5 FEBDRO C[N@@H+]1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000281667372 551128396 /nfs/dbraw/zinc/12/83/96/551128396.db2.gz CZAVFJHBDYKRHM-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000281933649 551159373 /nfs/dbraw/zinc/15/93/73/551159373.db2.gz DMNTWTZKQUCKOE-MRXNPFEDSA-N 1 0 363.414 2.481 20 5 FEBDRO CCN(CCOCCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282171889 551190017 /nfs/dbraw/zinc/19/00/17/551190017.db2.gz VEKYQPQYLZSLEO-GFCCVEGCSA-N 1 0 350.375 2.037 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649090 561505529 /nfs/dbraw/zinc/50/55/29/561505529.db2.gz JECBAAFCVNCNOU-GJZGRUSLSA-N 1 0 365.455 2.036 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000283276655 551340345 /nfs/dbraw/zinc/34/03/45/551340345.db2.gz WXHSFCUJCATINT-VXGBXAGGSA-N 1 0 367.402 2.109 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750851 551421682 /nfs/dbraw/zinc/42/16/82/551421682.db2.gz OMRQUYQNTPJFLX-YGRLFVJLSA-N 1 0 350.394 2.012 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498557605 561528508 /nfs/dbraw/zinc/52/85/08/561528508.db2.gz WGAVEEIJWSTOPF-NWDGAFQWSA-N 1 0 351.403 2.167 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498557608 561528523 /nfs/dbraw/zinc/52/85/23/561528523.db2.gz WGAVEEIJWSTOPF-VXGBXAGGSA-N 1 0 351.403 2.167 20 5 FEBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285059823 551698303 /nfs/dbraw/zinc/69/83/03/551698303.db2.gz IULISFQZXWAQCI-CYBMUJFWSA-N 1 0 357.414 2.259 20 5 FEBDRO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285150276 551711648 /nfs/dbraw/zinc/71/16/48/551711648.db2.gz PYYCKXNBSNAQFC-UHFFFAOYSA-N 1 0 370.413 2.102 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285190347 551718273 /nfs/dbraw/zinc/71/82/73/551718273.db2.gz CIVOREYVOIUYFN-OCCSQVGLSA-N 1 0 353.444 2.151 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1F ZINC000285236466 551724715 /nfs/dbraw/zinc/72/47/15/551724715.db2.gz BLNIIBLTIBVDML-FUNVUKJBSA-N 1 0 371.434 2.288 20 5 FEBDRO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c([N+](=O)[O-])cc1OC ZINC000285536604 551771395 /nfs/dbraw/zinc/77/13/95/551771395.db2.gz QEADTKGRKPCQHD-UHFFFAOYSA-N 1 0 372.443 2.059 20 5 FEBDRO CCOc1ccc(NC(=O)CN2C[C@@H](C)[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000498928056 561538227 /nfs/dbraw/zinc/53/82/27/561538227.db2.gz HUKGHZMKDQKOHO-ZIAGYGMSSA-N 1 0 364.446 2.347 20 5 FEBDRO COC(=O)c1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000285875801 551822148 /nfs/dbraw/zinc/82/21/48/551822148.db2.gz QOIGIPQOJQAVAZ-BLLLJJGKSA-N 1 0 361.398 2.080 20 5 FEBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286252103 551865799 /nfs/dbraw/zinc/86/57/99/551865799.db2.gz PELVJXSPDOUVCD-ZHZIRGLKSA-N 1 0 372.425 2.171 20 5 FEBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000286523788 551896216 /nfs/dbraw/zinc/89/62/16/551896216.db2.gz VMQVILGJJSLMOU-GJZGRUSLSA-N 1 0 372.425 2.401 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000286702914 551916588 /nfs/dbraw/zinc/91/65/88/551916588.db2.gz KHGOWOXTOIIWKK-HNNXBMFYSA-N 1 0 370.409 2.140 20 5 FEBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000286733705 551920100 /nfs/dbraw/zinc/92/01/00/551920100.db2.gz OBRRFYZOZWKARN-PBHICJAKSA-N 1 0 367.471 2.026 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787299 551925909 /nfs/dbraw/zinc/92/59/09/551925909.db2.gz RVSGOWALDSBYSW-HOCLYGCPSA-N 1 0 367.471 2.026 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000286954761 551944435 /nfs/dbraw/zinc/94/44/35/551944435.db2.gz HOZLICXRFSCCOM-OLZOCXBDSA-N 1 0 356.444 2.469 20 5 FEBDRO O=c1[nH]c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000287133917 551967696 /nfs/dbraw/zinc/96/76/96/551967696.db2.gz DJGPMMUWMKDIJA-LBPRGKRZSA-N 1 0 373.413 2.156 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288658718 552193391 /nfs/dbraw/zinc/19/33/91/552193391.db2.gz AMTBFLZARIEXKK-ZDUSSCGKSA-N 1 0 350.419 2.078 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288772678 552209858 /nfs/dbraw/zinc/20/98/58/552209858.db2.gz JTPOFNYHQZSGCA-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000288864690 552226996 /nfs/dbraw/zinc/22/69/96/552226996.db2.gz LHQKZELLPZDGSY-IRXDYDNUSA-N 1 0 373.457 2.415 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289280032 552294256 /nfs/dbraw/zinc/29/42/56/552294256.db2.gz ZCIFVQHIIWDHMD-DZGCQCFKSA-N 1 0 374.441 2.235 20 5 FEBDRO C[C@]1(C[C@@H]2CCC[N@@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623598 552351668 /nfs/dbraw/zinc/35/16/68/552351668.db2.gz LQFFZDTYDIVCEI-RXOXKVCUSA-N 1 0 358.398 2.061 20 5 FEBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289727460 552368991 /nfs/dbraw/zinc/36/89/91/552368991.db2.gz HIAWZRAGRAMPSP-QGZVFWFLSA-N 1 0 353.419 2.302 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289771070 552376022 /nfs/dbraw/zinc/37/60/22/552376022.db2.gz GLBLNMGPVFLCPY-GJZGRUSLSA-N 1 0 366.805 2.131 20 5 FEBDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000500548597 561576690 /nfs/dbraw/zinc/57/66/90/561576690.db2.gz VFPPDBIMLZJNSR-FZMZJTMJSA-N 1 0 361.851 2.056 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C[C@H]2CCOC2)c1 ZINC000290002753 552412235 /nfs/dbraw/zinc/41/22/35/552412235.db2.gz TXTRTFCQXRBGGH-SECBINFHSA-N 1 0 362.167 2.326 20 5 FEBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290117645 552430091 /nfs/dbraw/zinc/43/00/91/552430091.db2.gz KVYHBAYBWIZFFX-OAHLLOKOSA-N 1 0 369.425 2.242 20 5 FEBDRO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000290604931 552505547 /nfs/dbraw/zinc/50/55/47/552505547.db2.gz HNTAKJWYWPMAOO-KRWDZBQOSA-N 1 0 361.423 2.409 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000290761041 552533446 /nfs/dbraw/zinc/53/34/46/552533446.db2.gz ZVHOOUSCHGUGJD-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO CCS(=O)(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290787243 552538155 /nfs/dbraw/zinc/53/81/55/552538155.db2.gz CUHGXDQYQDQVJM-UHFFFAOYSA-N 1 0 370.258 2.321 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292093987 552693318 /nfs/dbraw/zinc/69/33/18/552693318.db2.gz STKWJPPQIBNZOK-ZDUSSCGKSA-N 1 0 353.444 2.090 20 5 FEBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000292178046 552701742 /nfs/dbraw/zinc/70/17/42/552701742.db2.gz JFIDAVGSUBCBBJ-QGZVFWFLSA-N 1 0 371.441 2.210 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000293007588 552779849 /nfs/dbraw/zinc/77/98/49/552779849.db2.gz JOSUQKJWQJRLNH-QGZVFWFLSA-N 1 0 365.430 2.319 20 5 FEBDRO COc1cc(C(=O)N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1F ZINC000294404794 552903586 /nfs/dbraw/zinc/90/35/86/552903586.db2.gz PQJOPUZBHUMLHY-UHFFFAOYSA-N 1 0 360.345 2.100 20 5 FEBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000295674547 553043022 /nfs/dbraw/zinc/04/30/22/553043022.db2.gz USOYCSMTOVIJBB-LSDHHAIUSA-N 1 0 353.806 2.183 20 5 FEBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C12CCC2 ZINC000296098087 553104314 /nfs/dbraw/zinc/10/43/14/553104314.db2.gz HTNHMOHJNZOZDY-CVEARBPZSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1OC ZINC000296552428 553178503 /nfs/dbraw/zinc/17/85/03/553178503.db2.gz OXASDHIRPDEDEU-AWEZNQCLSA-N 1 0 361.402 2.425 20 5 FEBDRO Cc1nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] ZINC000297240106 553268047 /nfs/dbraw/zinc/26/80/47/553268047.db2.gz USQJESRBKXPTIV-UHFFFAOYSA-N 1 0 357.414 2.262 20 5 FEBDRO COC(=O)Cc1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000297550128 553307761 /nfs/dbraw/zinc/30/77/61/553307761.db2.gz QTFXFUHITQIKNT-MRXNPFEDSA-N 1 0 353.444 2.160 20 5 FEBDRO C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297672034 553322856 /nfs/dbraw/zinc/32/28/56/553322856.db2.gz PCWVQDFEHAVCOY-HNNXBMFYSA-N 1 0 365.478 2.181 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803019 553340821 /nfs/dbraw/zinc/34/08/21/553340821.db2.gz IAQUJGHAMXMJHF-OCCSQVGLSA-N 1 0 362.430 2.078 20 5 FEBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000298307067 553410688 /nfs/dbraw/zinc/41/06/88/553410688.db2.gz QIBOHUSGMNRYKP-UHFFFAOYSA-N 1 0 371.393 2.358 20 5 FEBDRO Cc1c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000298393234 553420036 /nfs/dbraw/zinc/42/00/36/553420036.db2.gz MDTSMBHPLVOEJR-KRWDZBQOSA-N 1 0 363.462 2.297 20 5 FEBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)c1cccc(Br)c1 ZINC000298410934 553422114 /nfs/dbraw/zinc/42/21/14/553422114.db2.gz PCZKZSOJOFJPRI-CYBMUJFWSA-N 1 0 369.219 2.219 20 5 FEBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000503514726 561643222 /nfs/dbraw/zinc/64/32/22/561643222.db2.gz AZVJHOHCRNDNJH-LDYMZIIASA-N 1 0 373.312 2.012 20 5 FEBDRO C[C@@H](c1ccccc1)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524867 553436021 /nfs/dbraw/zinc/43/60/21/553436021.db2.gz VZZAMCAMFDSMKL-UGSOOPFHSA-N 1 0 370.409 2.171 20 5 FEBDRO C[C@H](c1ccccc1)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(N)=O ZINC000298524848 553436115 /nfs/dbraw/zinc/43/61/15/553436115.db2.gz VZZAMCAMFDSMKL-FZKQIMNGSA-N 1 0 370.409 2.171 20 5 FEBDRO O=C(CC[NH2+][C@]1(CO)CCOc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000298613286 553449348 /nfs/dbraw/zinc/44/93/48/553449348.db2.gz UBXKRKGJDICMLF-IBGZPJMESA-N 1 0 371.393 2.183 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000298633942 553452326 /nfs/dbraw/zinc/45/23/26/553452326.db2.gz WCTWTLFABAKGRJ-ZDUSSCGKSA-N 1 0 365.430 2.415 20 5 FEBDRO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000503638608 561645755 /nfs/dbraw/zinc/64/57/55/561645755.db2.gz VSCMBCHJFSBLDB-UHFFFAOYSA-N 1 0 373.413 2.080 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000298813151 553476356 /nfs/dbraw/zinc/47/63/56/553476356.db2.gz ALJAIISDCWNAMA-UHFFFAOYSA-N 1 0 364.446 2.467 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298999708 553501589 /nfs/dbraw/zinc/50/15/89/553501589.db2.gz JVDQRUDBTBKHJB-CQSZACIVSA-N 1 0 373.457 2.080 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000299093814 553514513 /nfs/dbraw/zinc/51/45/13/553514513.db2.gz ONTPMBPCDFHKOL-OLZOCXBDSA-N 1 0 365.430 2.462 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000299425806 553561378 /nfs/dbraw/zinc/56/13/78/553561378.db2.gz ZIHAONFPDPAAIS-CQSZACIVSA-N 1 0 361.402 2.036 20 5 FEBDRO Cc1n[nH]c(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000299455335 553565623 /nfs/dbraw/zinc/56/56/23/553565623.db2.gz VJXCCKGWCUXGNY-UHFFFAOYSA-N 1 0 357.414 2.329 20 5 FEBDRO COc1ccc(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000299523861 553575308 /nfs/dbraw/zinc/57/53/08/553575308.db2.gz FEYQJTOZMJCCTQ-UHFFFAOYSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299582195 553584387 /nfs/dbraw/zinc/58/43/87/553584387.db2.gz YWDPJIPQVIAMPO-IYBDPMFKSA-N 1 0 360.458 2.225 20 5 FEBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000301253340 553636266 /nfs/dbraw/zinc/63/62/66/553636266.db2.gz CFWMQJFGAXTSBA-OAHLLOKOSA-N 1 0 362.817 2.474 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@H+](Cc4ccccc4)CC3)nn21 ZINC000301839089 553684796 /nfs/dbraw/zinc/68/47/96/553684796.db2.gz NWVNCJFXSJUNSS-UHFFFAOYSA-N 1 0 352.398 2.350 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301918895 553692152 /nfs/dbraw/zinc/69/21/52/553692152.db2.gz BQDZOEOSKHJBJC-LLVKDONJSA-N 1 0 361.489 2.450 20 5 FEBDRO CC(C)[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)CC1 ZINC000301986255 553696078 /nfs/dbraw/zinc/69/60/78/553696078.db2.gz ZFORMAAWDMDNBJ-UHFFFAOYSA-N 1 0 357.418 2.241 20 5 FEBDRO Cc1ccnc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302492215 553718311 /nfs/dbraw/zinc/71/83/11/553718311.db2.gz ZNAPZYKAVLSYSP-IBGZPJMESA-N 1 0 356.426 2.371 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505487675 561671966 /nfs/dbraw/zinc/67/19/66/561671966.db2.gz JPYRDVHRBFVLFX-UHFFFAOYSA-N 1 0 372.429 2.220 20 5 FEBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000314610127 553759499 /nfs/dbraw/zinc/75/94/99/553759499.db2.gz YVWQUSYHEDABLQ-LBPRGKRZSA-N 1 0 359.220 2.500 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324205474 553771544 /nfs/dbraw/zinc/77/15/44/553771544.db2.gz NZVYMEKBIMYZBO-AAEUAGOBSA-N 1 0 373.862 2.401 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485276 554127739 /nfs/dbraw/zinc/12/77/39/554127739.db2.gz ARYCKTHKMACXOH-OLZOCXBDSA-N 1 0 371.459 2.002 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330496133 554129360 /nfs/dbraw/zinc/12/93/60/554129360.db2.gz XWHZKFVXGYHFEB-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330496131 554129593 /nfs/dbraw/zinc/12/95/93/554129593.db2.gz XWHZKFVXGYHFEB-OCCSQVGLSA-N 1 0 355.460 2.302 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000330763544 554168463 /nfs/dbraw/zinc/16/84/63/554168463.db2.gz OXQOQOXFALXOPB-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000330879788 554182338 /nfs/dbraw/zinc/18/23/38/554182338.db2.gz AYPLQHKYWMNOBO-ZIAGYGMSSA-N 1 0 355.460 2.254 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000331941933 554349627 /nfs/dbraw/zinc/34/96/27/554349627.db2.gz OEVHKUDRNKYIHT-QWHCGFSZSA-N 1 0 357.414 2.160 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1[N+](=O)[O-] ZINC000331951713 554351232 /nfs/dbraw/zinc/35/12/32/554351232.db2.gz SSSFTFUNDUXAND-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000509663863 561809732 /nfs/dbraw/zinc/80/97/32/561809732.db2.gz FHEMXHSQNLHFFD-CHWSQXEVSA-N 1 0 358.398 2.073 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C ZINC000332088415 554378278 /nfs/dbraw/zinc/37/82/78/554378278.db2.gz UAEISEABJQPPSR-HOCLYGCPSA-N 1 0 367.471 2.459 20 5 FEBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609607109 554400656 /nfs/dbraw/zinc/40/06/56/554400656.db2.gz YUXRHSPXOATOCM-UHFFFAOYSA-N 1 0 353.294 2.157 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253766 554411039 /nfs/dbraw/zinc/41/10/39/554411039.db2.gz YNXTWCCIRPGQOQ-GJZGRUSLSA-N 1 0 367.471 2.316 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]2CCCF)c1 ZINC000510680302 561843194 /nfs/dbraw/zinc/84/31/94/561843194.db2.gz HWMYRZBKKZZRGX-CJNGLKHVSA-N 1 0 373.450 2.381 20 5 FEBDRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000360901680 554894344 /nfs/dbraw/zinc/89/43/44/554894344.db2.gz XBVLEKQANNJDCA-UHFFFAOYSA-N 1 0 361.402 2.170 20 5 FEBDRO CNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813557 554936017 /nfs/dbraw/zinc/93/60/17/554936017.db2.gz MEFJGFVNTDYXAT-ZBFHGGJFSA-N 1 0 362.430 2.010 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000362177392 554954254 /nfs/dbraw/zinc/95/42/54/554954254.db2.gz JVLPVTQMBCZFRR-DZGCQCFKSA-N 1 0 361.377 2.195 20 5 FEBDRO O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000362641414 554977774 /nfs/dbraw/zinc/97/77/74/554977774.db2.gz QNPGXHBVNWEGSA-UHFFFAOYSA-N 1 0 364.365 2.074 20 5 FEBDRO O=C(CN1CCC[C@@H](c2ccncn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000363015086 555010720 /nfs/dbraw/zinc/01/07/20/555010720.db2.gz UVNLYGZXMPRBBV-OAHLLOKOSA-N 1 0 367.409 2.154 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000363073836 555024458 /nfs/dbraw/zinc/02/44/58/555024458.db2.gz CSUDAMSOPWCZPI-HNNXBMFYSA-N 1 0 361.398 2.082 20 5 FEBDRO COc1cc(C(=O)N2CCC[N@H+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000363537429 555131203 /nfs/dbraw/zinc/13/12/03/555131203.db2.gz YKOZKODKECCJGC-UHFFFAOYSA-N 1 0 365.430 2.416 20 5 FEBDRO CN1CC[NH+](CC2(C)CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000363813710 555191293 /nfs/dbraw/zinc/19/12/93/555191293.db2.gz GJEZJTDUCAITDU-UHFFFAOYSA-N 1 0 374.485 2.013 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000364038880 555237958 /nfs/dbraw/zinc/23/79/58/555237958.db2.gz OHMZMQXTQXIHJR-MNOVXSKESA-N 1 0 369.805 2.310 20 5 FEBDRO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000364038883 555238118 /nfs/dbraw/zinc/23/81/18/555238118.db2.gz OHMZMQXTQXIHJR-WDEREUQCSA-N 1 0 369.805 2.310 20 5 FEBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207923 555270219 /nfs/dbraw/zinc/27/02/19/555270219.db2.gz PXEDFEOUUGJMOH-ZDUSSCGKSA-N 1 0 366.849 2.147 20 5 FEBDRO C[C@@H]([NH2+]C1CCN(CC(=O)N2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000364341427 555294769 /nfs/dbraw/zinc/29/47/69/555294769.db2.gz SEHFCDMJBRSMMI-OAHLLOKOSA-N 1 0 360.458 2.332 20 5 FEBDRO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364383261 555303342 /nfs/dbraw/zinc/30/33/42/555303342.db2.gz UYMAFXDMGJZWIK-WMZOPIPTSA-N 1 0 371.441 2.128 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364432145 555312974 /nfs/dbraw/zinc/31/29/74/555312974.db2.gz ASMFURAKINJFBR-HOTGVXAUSA-N 1 0 350.415 2.226 20 5 FEBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000365083918 555481623 /nfs/dbraw/zinc/48/16/23/555481623.db2.gz JIRHIRSZJCJULQ-YJBOKZPZSA-N 1 0 356.382 2.192 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000365351145 555550729 /nfs/dbraw/zinc/55/07/29/555550729.db2.gz BAKFLCSXQQCGDB-ONGXEEELSA-N 1 0 371.340 2.029 20 5 FEBDRO O=C1[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365549082 555606061 /nfs/dbraw/zinc/60/60/61/555606061.db2.gz GHCLXTNGTQBECJ-JEDBISTDSA-N 1 0 370.453 2.116 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000513419575 561937610 /nfs/dbraw/zinc/93/76/10/561937610.db2.gz IPCKIWKSKLZIIU-HIFRSBDPSA-N 1 0 357.414 2.443 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366571787 555879034 /nfs/dbraw/zinc/87/90/34/555879034.db2.gz RHHIQSVCCXGWLX-ZIAGYGMSSA-N 1 0 365.455 2.047 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000366707852 555914684 /nfs/dbraw/zinc/91/46/84/555914684.db2.gz DTCIFMWVBCMMNU-SFHVURJKSA-N 1 0 360.389 2.375 20 5 FEBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000514316367 561965605 /nfs/dbraw/zinc/96/56/05/561965605.db2.gz CQIYZMLUPPBAJQ-UHFFFAOYSA-N 1 0 357.414 2.246 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc3c(n2)CCC3)cc1 ZINC000514717514 561975832 /nfs/dbraw/zinc/97/58/32/561975832.db2.gz GNJBVDLCISQQHQ-UHFFFAOYSA-N 1 0 361.423 2.042 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367437471 556048802 /nfs/dbraw/zinc/04/88/02/556048802.db2.gz WNMUGOGPAWJRGI-KBXCAEBGSA-N 1 0 360.458 2.260 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000367594811 556092234 /nfs/dbraw/zinc/09/22/34/556092234.db2.gz SZTAHRHKYIZYCY-NVXWUHKLSA-N 1 0 370.409 2.061 20 5 FEBDRO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000367644653 556103777 /nfs/dbraw/zinc/10/37/77/556103777.db2.gz UIYCCCDDZCZQPF-HOTGVXAUSA-N 1 0 371.393 2.185 20 5 FEBDRO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368101604 556219311 /nfs/dbraw/zinc/21/93/11/556219311.db2.gz ZVHVAOVONIXBRU-WBIUFABUSA-N 1 0 351.353 2.429 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000368108518 556220918 /nfs/dbraw/zinc/22/09/18/556220918.db2.gz KPPXKKGGPMLVSC-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368186024 556241970 /nfs/dbraw/zinc/24/19/70/556241970.db2.gz YMTBPJQXOHGTHL-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCCN(c2ccccn2)CC1 ZINC000368716785 556395919 /nfs/dbraw/zinc/39/59/19/556395919.db2.gz VNNFHRZTRIRLLY-UHFFFAOYSA-N 1 0 370.365 2.071 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000515636165 562017964 /nfs/dbraw/zinc/01/79/64/562017964.db2.gz NBMICSQSLABCEX-CQSZACIVSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000369002177 556472974 /nfs/dbraw/zinc/47/29/74/556472974.db2.gz MRBXVCBGXQKJJY-NWDGAFQWSA-N 1 0 351.432 2.217 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000369004658 556473408 /nfs/dbraw/zinc/47/34/08/556473408.db2.gz QWQSLCSAQANGGK-DOMZBBRYSA-N 1 0 350.375 2.416 20 5 FEBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000369064429 556494116 /nfs/dbraw/zinc/49/41/16/556494116.db2.gz MMNJBKDAYLANPU-GFCCVEGCSA-N 1 0 361.398 2.113 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000369537472 556624691 /nfs/dbraw/zinc/62/46/91/556624691.db2.gz RAOKUOIQSIVFOZ-KGLIPLIRSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1ccccc1NC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369833293 556707435 /nfs/dbraw/zinc/70/74/35/556707435.db2.gz JUAUDYCEGDJZHQ-QGZVFWFLSA-N 1 0 359.430 2.037 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928979 556733025 /nfs/dbraw/zinc/73/30/25/556733025.db2.gz GBAQPGZPIWEXGJ-GDBMZVCRSA-N 1 0 369.425 2.444 20 5 FEBDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975607 556746229 /nfs/dbraw/zinc/74/62/29/556746229.db2.gz SQTPOLPPNNUIFZ-DOTOQJQBSA-N 1 0 360.414 2.177 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000370083596 556776440 /nfs/dbraw/zinc/77/64/40/556776440.db2.gz RLDPLKQSQSHMBF-JKSUJKDBSA-N 1 0 360.458 2.001 20 5 FEBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000516651581 562052740 /nfs/dbraw/zinc/05/27/40/562052740.db2.gz FUNNLYSGAZKIMA-DLBZAZTESA-N 1 0 372.469 2.316 20 5 FEBDRO NS(=O)(=O)[C@@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000370233003 556817572 /nfs/dbraw/zinc/81/75/72/556817572.db2.gz LGBLRLWGRPUSTI-OAHLLOKOSA-N 1 0 372.446 2.199 20 5 FEBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000370406533 556863121 /nfs/dbraw/zinc/86/31/21/556863121.db2.gz NIHLMGWNFPYJDY-IBGZPJMESA-N 1 0 374.441 2.176 20 5 FEBDRO COC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000370446645 556876140 /nfs/dbraw/zinc/87/61/40/556876140.db2.gz GCFRXZYUNBIFCY-GFCCVEGCSA-N 1 0 367.377 2.194 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000370764203 556961212 /nfs/dbraw/zinc/96/12/12/556961212.db2.gz WYNHMTHGVRSEOJ-WFASDCNBSA-N 1 0 367.833 2.479 20 5 FEBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927436 557019015 /nfs/dbraw/zinc/01/90/15/557019015.db2.gz IHZULUYRBLUJQJ-CRAIPNDOSA-N 1 0 371.441 2.450 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@H]2[C@@H]1c1ccccc1 ZINC000371052488 557058841 /nfs/dbraw/zinc/05/88/41/557058841.db2.gz ILFAGLKDPXQEMM-XYPHTWIQSA-N 1 0 368.393 2.070 20 5 FEBDRO CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000371083583 557069519 /nfs/dbraw/zinc/06/95/19/557069519.db2.gz CQWWGETXCCICAF-ZBEGNZNMSA-N 1 0 366.805 2.058 20 5 FEBDRO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371355134 557157868 /nfs/dbraw/zinc/15/78/68/557157868.db2.gz OTMGMPSJYGSOHY-OAWFPAICSA-N 1 0 372.469 2.092 20 5 FEBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cccc1[N+](=O)[O-] ZINC000371479281 557194278 /nfs/dbraw/zinc/19/42/78/557194278.db2.gz FLWHXLZUANMQDU-ZJNRKIDTSA-N 1 0 360.414 2.274 20 5 FEBDRO CC[NH+]1CCC(N(C)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000517938119 562101085 /nfs/dbraw/zinc/10/10/85/562101085.db2.gz SCPPJGKRSGBVAE-UHFFFAOYSA-N 1 0 372.429 2.040 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000371872489 557316011 /nfs/dbraw/zinc/31/60/11/557316011.db2.gz LJBZDGBVKULINL-MRXNPFEDSA-N 1 0 360.414 2.010 20 5 FEBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518648309 562115958 /nfs/dbraw/zinc/11/59/58/562115958.db2.gz ZNSRPJUAEWRBBE-CQSZACIVSA-N 1 0 365.430 2.145 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000372105566 557381287 /nfs/dbraw/zinc/38/12/87/557381287.db2.gz NNQRVACRCIQIJH-CQSZACIVSA-N 1 0 367.413 2.039 20 5 FEBDRO COc1cccc(NC(=O)CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372284335 557429851 /nfs/dbraw/zinc/42/98/51/557429851.db2.gz YYOSHZDMFICTGB-AWEZNQCLSA-N 1 0 359.386 2.076 20 5 FEBDRO Cc1c(NC(=O)N(C)[C@@H]2CC[NH2+]C2)cc(Br)cc1[N+](=O)[O-] ZINC000519529236 562133595 /nfs/dbraw/zinc/13/35/95/562133595.db2.gz SILVLBTYFYYMPQ-SNVBAGLBSA-N 1 0 357.208 2.491 20 5 FEBDRO O=C(CN1CC[C@@H]([NH+]2CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000372617461 557522297 /nfs/dbraw/zinc/52/22/97/557522297.db2.gz NDLTWDCMLRXBDQ-CYBMUJFWSA-N 1 0 352.822 2.357 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373081717 557624353 /nfs/dbraw/zinc/62/43/53/557624353.db2.gz SGSRVDHOSSMQBL-KSSFIOAISA-N 1 0 371.441 2.450 20 5 FEBDRO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000519974075 562148358 /nfs/dbraw/zinc/14/83/58/562148358.db2.gz ADUOWWSHSSTTJH-HNNXBMFYSA-N 1 0 363.462 2.157 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000520213259 562150779 /nfs/dbraw/zinc/15/07/79/562150779.db2.gz QQGCTHZSWXTRQD-DAXSKMNVSA-N 1 0 361.423 2.176 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000373762822 557753727 /nfs/dbraw/zinc/75/37/27/557753727.db2.gz YKQDRCHGHLRNQO-QAPCUYQASA-N 1 0 362.474 2.061 20 5 FEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373809054 557763848 /nfs/dbraw/zinc/76/38/48/557763848.db2.gz HQOHMUWKKAMYSF-KBXCAEBGSA-N 1 0 363.414 2.193 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021716 557809401 /nfs/dbraw/zinc/80/94/01/557809401.db2.gz IMUGYAZPPXSNGL-XJKSGUPXSA-N 1 0 355.398 2.137 20 5 FEBDRO Cc1c(NC(=O)C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000374185919 557840297 /nfs/dbraw/zinc/84/02/97/557840297.db2.gz YZPCMJXGIPTYKH-UHFFFAOYSA-N 1 0 374.441 2.176 20 5 FEBDRO COC(=O)[C@H](NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](OC)C1 ZINC000521052047 562168642 /nfs/dbraw/zinc/16/86/42/562168642.db2.gz KMTRVMKKOXSINY-HYVNUMGLSA-N 1 0 350.415 2.474 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000374505715 557892475 /nfs/dbraw/zinc/89/24/75/557892475.db2.gz OGJJSIXQPRWABF-DAXOMENPSA-N 1 0 360.414 2.055 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374597696 557904407 /nfs/dbraw/zinc/90/44/07/557904407.db2.gz WBUWZPMNSGQOEY-HNNXBMFYSA-N 1 0 362.474 2.204 20 5 FEBDRO Nc1c(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000374884889 557945681 /nfs/dbraw/zinc/94/56/81/557945681.db2.gz XPEJJTQZOSQWJK-UKRRQHHQSA-N 1 0 358.373 2.192 20 5 FEBDRO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393643 558020205 /nfs/dbraw/zinc/02/02/05/558020205.db2.gz RGYISRAMHFPSEP-WMZOPIPTSA-N 1 0 374.441 2.485 20 5 FEBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376212200 558142071 /nfs/dbraw/zinc/14/20/71/558142071.db2.gz SGJPCLDEMMKBJQ-MAUKXSAKSA-N 1 0 362.474 2.203 20 5 FEBDRO COCCC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000376319624 558157158 /nfs/dbraw/zinc/15/71/58/558157158.db2.gz QLDGXCSCNLBAIW-UHFFFAOYSA-N 1 0 350.419 2.479 20 5 FEBDRO Cn1ccc(N2CC[C@H]([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)n1 ZINC000377085455 558262736 /nfs/dbraw/zinc/26/27/36/558262736.db2.gz ZOSJLUFPXGMKIA-HOTGVXAUSA-N 1 0 355.398 2.101 20 5 FEBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000377225858 558293519 /nfs/dbraw/zinc/29/35/19/558293519.db2.gz YFIXENOAAZVJPS-YOEHRIQHSA-N 1 0 355.398 2.150 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)c1C ZINC000377283906 558306157 /nfs/dbraw/zinc/30/61/57/558306157.db2.gz WBWTVZSWABMAIM-GOEBONIOSA-N 1 0 353.444 2.104 20 5 FEBDRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000377561330 558364974 /nfs/dbraw/zinc/36/49/74/558364974.db2.gz GZMPKCYWIDKQBQ-UHFFFAOYSA-N 1 0 361.402 2.170 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416647 562198289 /nfs/dbraw/zinc/19/82/89/562198289.db2.gz MCQAGSRQTVFPGT-GXTWGEPZSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000377663249 558390015 /nfs/dbraw/zinc/39/00/15/558390015.db2.gz UNJMQHXJJUBKRL-RHSMWYFYSA-N 1 0 374.441 2.399 20 5 FEBDRO O=[N+]([O-])c1cnn(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415405 /nfs/dbraw/zinc/41/54/05/558415405.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 1 0 355.442 2.245 20 5 FEBDRO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000378100133 558480873 /nfs/dbraw/zinc/48/08/73/558480873.db2.gz KYMLDSWTOLKIMU-LKGOPFMKSA-N 1 0 372.469 2.235 20 5 FEBDRO Cn1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378102209 558481606 /nfs/dbraw/zinc/48/16/06/558481606.db2.gz KADNTNKMFYLFNL-OAHLLOKOSA-N 1 0 352.398 2.366 20 5 FEBDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000378246424 558510794 /nfs/dbraw/zinc/51/07/94/558510794.db2.gz HIJOEMXVTLXTAP-UHFFFAOYSA-N 1 0 365.386 2.334 20 5 FEBDRO COc1ccc(CC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000523660792 562216889 /nfs/dbraw/zinc/21/68/89/562216889.db2.gz BFAOTYLVCOGJTJ-UHFFFAOYSA-N 1 0 361.442 2.480 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1C ZINC000393130680 558620540 /nfs/dbraw/zinc/62/05/40/558620540.db2.gz PNKNFWQYIVABIL-UHFFFAOYSA-N 1 0 367.471 2.366 20 5 FEBDRO O=C([C@@H]1COCCN1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408156437 558652178 /nfs/dbraw/zinc/65/21/78/558652178.db2.gz ZSZODBAWHLAMLN-SFHVURJKSA-N 1 0 359.426 2.123 20 5 FEBDRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000524516149 562229811 /nfs/dbraw/zinc/22/98/11/562229811.db2.gz RXGQCCQYQRCCIY-AWEZNQCLSA-N 1 0 364.446 2.408 20 5 FEBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000410853790 558817188 /nfs/dbraw/zinc/81/71/88/558817188.db2.gz KNPPOXSRNSXCCE-OKILXGFUSA-N 1 0 357.414 2.335 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC000411202351 558852696 /nfs/dbraw/zinc/85/26/96/558852696.db2.gz NUCAGFKFTCGGDJ-UHFFFAOYSA-N 1 0 353.394 2.276 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254310 558861694 /nfs/dbraw/zinc/86/16/94/558861694.db2.gz FSYZIZXIFCPYSH-CQSZACIVSA-N 1 0 362.430 2.101 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000411397807 558887695 /nfs/dbraw/zinc/88/76/95/558887695.db2.gz IBPSPCXFCWEMHW-UHFFFAOYSA-N 1 0 365.430 2.415 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428582 558893600 /nfs/dbraw/zinc/89/36/00/558893600.db2.gz QAGJFUNJJAGMLD-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000525677539 562251916 /nfs/dbraw/zinc/25/19/16/562251916.db2.gz ABKCBFDLNXQECL-UHFFFAOYSA-N 1 0 363.414 2.218 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000411601527 558927047 /nfs/dbraw/zinc/92/70/47/558927047.db2.gz ANWBWWQSPNGFCT-YNEHKIRRSA-N 1 0 351.403 2.430 20 5 FEBDRO O=C(CC[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000411672741 558940753 /nfs/dbraw/zinc/94/07/53/558940753.db2.gz VWJKPPZLFXLMST-CYBMUJFWSA-N 1 0 353.444 2.113 20 5 FEBDRO COC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411812572 558968198 /nfs/dbraw/zinc/96/81/98/558968198.db2.gz YRVFMRMZYKCJCT-CYBMUJFWSA-N 1 0 351.403 2.433 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411885789 558983178 /nfs/dbraw/zinc/98/31/78/558983178.db2.gz JQXCZRUMMAHCIJ-IPELMVKDSA-N 1 0 358.394 2.237 20 5 FEBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411889549 558983764 /nfs/dbraw/zinc/98/37/64/558983764.db2.gz CNGWIZHBMZREDQ-OGWOLHLISA-N 1 0 358.394 2.237 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])c1 ZINC000411975081 558998222 /nfs/dbraw/zinc/99/82/22/558998222.db2.gz UWSPGPNKGYHGLU-DIFFPNOSSA-N 1 0 351.403 2.335 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003520 559001357 /nfs/dbraw/zinc/00/13/57/559001357.db2.gz XGAXMCKDUZMGPV-ZWKOTPCHSA-N 1 0 372.425 2.006 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412047084 559006063 /nfs/dbraw/zinc/00/60/63/559006063.db2.gz ONMULTNKKXDGBY-XPCVCDNBSA-N 1 0 363.414 2.023 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000526067206 562265854 /nfs/dbraw/zinc/26/58/54/562265854.db2.gz QIYSRYDSUVAHDM-UHFFFAOYSA-N 1 0 360.414 2.322 20 5 FEBDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413181831 559086398 /nfs/dbraw/zinc/08/63/98/559086398.db2.gz RCIKZELNWSPHAB-UHFFFAOYSA-N 1 0 367.425 2.168 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413305727 559097390 /nfs/dbraw/zinc/09/73/90/559097390.db2.gz VTRAYXGFDHBBFY-UHFFFAOYSA-N 1 0 363.384 2.328 20 5 FEBDRO Cn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414768490 559186528 /nfs/dbraw/zinc/18/65/28/559186528.db2.gz LTIHIENEUXLKCX-IYBDPMFKSA-N 1 0 355.442 2.427 20 5 FEBDRO COc1cc(CN[C@@H](C)CC[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414883419 559193028 /nfs/dbraw/zinc/19/30/28/559193028.db2.gz AIDOOYXMMCWLCK-VIFPVBQESA-N 1 0 351.325 2.371 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000414939071 559195947 /nfs/dbraw/zinc/19/59/47/559195947.db2.gz GAADCZLIEXCDOR-GFCCVEGCSA-N 1 0 368.393 2.138 20 5 FEBDRO CO[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000414949600 559196740 /nfs/dbraw/zinc/19/67/40/559196740.db2.gz NVHODRYLZMPZNX-MNOVXSKESA-N 1 0 374.344 2.166 20 5 FEBDRO CN(c1ccccc1)c1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415098153 559205119 /nfs/dbraw/zinc/20/51/19/559205119.db2.gz UZPMKALIEWLENW-KRWDZBQOSA-N 1 0 356.426 2.441 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000415497951 559243632 /nfs/dbraw/zinc/24/36/32/559243632.db2.gz IOVHTYNPGISKAD-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415591926 559253505 /nfs/dbraw/zinc/25/35/05/559253505.db2.gz BIXGEIUVMXZYDB-GFCCVEGCSA-N 1 0 352.391 2.185 20 5 FEBDRO COC(=O)c1cc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)c(C)c([N+](=O)[O-])c1 ZINC000415600347 559254258 /nfs/dbraw/zinc/25/42/58/559254258.db2.gz NTLRAWONDNEMHZ-LBPRGKRZSA-N 1 0 364.402 2.283 20 5 FEBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416091788 559291723 /nfs/dbraw/zinc/29/17/23/559291723.db2.gz GPDYYYMHZKAOAL-UHFFFAOYSA-N 1 0 372.429 2.122 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000416369142 559308053 /nfs/dbraw/zinc/30/80/53/559308053.db2.gz IARMXPQHECNLNM-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000416505697 559318421 /nfs/dbraw/zinc/31/84/21/559318421.db2.gz FCOMVYJFAVXXRL-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416554253 559321412 /nfs/dbraw/zinc/32/14/12/559321412.db2.gz JMDIDVQCIWOIFQ-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417174308 559351338 /nfs/dbraw/zinc/35/13/38/559351338.db2.gz HYRJUMYVFOPOIU-UHFFFAOYSA-N 1 0 372.425 2.316 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417189108 559352182 /nfs/dbraw/zinc/35/21/82/559352182.db2.gz WKDKYTKHNMLBGF-OAHLLOKOSA-N 1 0 350.419 2.181 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000417195320 559352324 /nfs/dbraw/zinc/35/23/24/559352324.db2.gz NZTNUSPPQAEWFA-OAHLLOKOSA-N 1 0 362.430 2.135 20 5 FEBDRO COc1ccc(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417200670 559352633 /nfs/dbraw/zinc/35/26/33/559352633.db2.gz URQJRNNNNSFPBR-JOCQHMNTSA-N 1 0 350.419 2.168 20 5 FEBDRO CNC(=O)CN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417333753 559358121 /nfs/dbraw/zinc/35/81/21/559358121.db2.gz YZXRVCYWDMSTMZ-GOSISDBHSA-N 1 0 360.458 2.162 20 5 FEBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418084805 559389596 /nfs/dbraw/zinc/38/95/96/559389596.db2.gz ROWCBOHYPDIAFG-UHFFFAOYSA-N 1 0 372.429 2.146 20 5 FEBDRO C[C@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000418236188 559395027 /nfs/dbraw/zinc/39/50/27/559395027.db2.gz ULJVPEOVMDAVMI-ZFWWWQNUSA-N 1 0 362.430 2.053 20 5 FEBDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000418774010 559415303 /nfs/dbraw/zinc/41/53/03/559415303.db2.gz CPTIYEHMSHPZSR-STQMWFEESA-N 1 0 370.409 2.108 20 5 FEBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419338391 559438198 /nfs/dbraw/zinc/43/81/98/559438198.db2.gz ZGADHTVWLWGWHH-LSDHHAIUSA-N 1 0 351.447 2.269 20 5 FEBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000419373029 559440012 /nfs/dbraw/zinc/44/00/12/559440012.db2.gz LYDWNISTHBQUEP-UHFFFAOYSA-N 1 0 369.487 2.175 20 5 FEBDRO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000419389505 559440549 /nfs/dbraw/zinc/44/05/49/559440549.db2.gz LDZPWUWNHFOQQT-INIZCTEOSA-N 1 0 358.398 2.003 20 5 FEBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000419916297 559464397 /nfs/dbraw/zinc/46/43/97/559464397.db2.gz FFDVVIRDLDUMJI-UHFFFAOYSA-N 1 0 372.429 2.218 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420199336 559476295 /nfs/dbraw/zinc/47/62/95/559476295.db2.gz MHGZFSLMKFMAHU-CYBMUJFWSA-N 1 0 357.414 2.361 20 5 FEBDRO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC[NH2+]C1 ZINC000420299146 559479249 /nfs/dbraw/zinc/47/92/49/559479249.db2.gz SYRQCBVEICKFNU-AWEZNQCLSA-N 1 0 350.419 2.006 20 5 FEBDRO CCC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420307826 559479649 /nfs/dbraw/zinc/47/96/49/559479649.db2.gz MTDYITPBODORNV-CQSZACIVSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420396173 559485149 /nfs/dbraw/zinc/48/51/49/559485149.db2.gz CREJVGUTQUYBOV-DOTOQJQBSA-N 1 0 372.400 2.408 20 5 FEBDRO COc1ccc(NC(=O)CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420399773 559485476 /nfs/dbraw/zinc/48/54/76/559485476.db2.gz OHVTXAPJFIMBEJ-CJNGLKHVSA-N 1 0 362.430 2.006 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000420467148 559489033 /nfs/dbraw/zinc/48/90/33/559489033.db2.gz NBPYTRHLURZTMD-WDEREUQCSA-N 1 0 361.851 2.352 20 5 FEBDRO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000420467899 559489192 /nfs/dbraw/zinc/48/91/92/559489192.db2.gz TUTSSPUWSMQCPW-HNNXBMFYSA-N 1 0 363.439 2.444 20 5 FEBDRO C[NH+](C)CCOc1ccc(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])cc1 ZINC000420578225 559492614 /nfs/dbraw/zinc/49/26/14/559492614.db2.gz AGCUPSLVUMSVPO-UHFFFAOYSA-N 1 0 372.425 2.289 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1C ZINC000420746878 559501972 /nfs/dbraw/zinc/50/19/72/559501972.db2.gz NPUZBVYSJQBLGV-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019011 559520073 /nfs/dbraw/zinc/52/00/73/559520073.db2.gz NAJIDJHPUPUWIS-KGLIPLIRSA-N 1 0 365.430 2.056 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421714797 559550637 /nfs/dbraw/zinc/55/06/37/559550637.db2.gz WKIXWFMYJWZRKZ-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000422555442 559594833 /nfs/dbraw/zinc/59/48/33/559594833.db2.gz PUINVRXUPWCAHS-HONMWMINSA-N 1 0 355.460 2.206 20 5 FEBDRO O=C(c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12)N1CCC[NH2+]CC1 ZINC000422706864 559603600 /nfs/dbraw/zinc/60/36/00/559603600.db2.gz GHGXYTDNQSUILW-UHFFFAOYSA-N 1 0 357.360 2.395 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1ccccc1[N+](=O)[O-] ZINC000422946264 559612476 /nfs/dbraw/zinc/61/24/76/559612476.db2.gz OOYSSSYLZAQCMN-CQSZACIVSA-N 1 0 363.414 2.223 20 5 FEBDRO CCCN(C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000423297226 559624727 /nfs/dbraw/zinc/62/47/27/559624727.db2.gz JGFFVXRVFWJBOJ-UHFFFAOYSA-N 1 0 363.414 2.376 20 5 FEBDRO CCc1ccc([C@@H](NC[C@H]2C[NH2+]CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423519623 559631000 /nfs/dbraw/zinc/63/10/00/559631000.db2.gz PMDXNBKWEJIREV-APWZRJJASA-N 1 0 358.442 2.333 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000423640584 559634886 /nfs/dbraw/zinc/63/48/86/559634886.db2.gz VYHWKAORNRNWDQ-MRXNPFEDSA-N 1 0 353.444 2.205 20 5 FEBDRO C[C@]1(F)CNCCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423693291 559636127 /nfs/dbraw/zinc/63/61/27/559636127.db2.gz RVIJCTYTPNWDOX-ZDUSSCGKSA-N 1 0 360.183 2.131 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000424013246 559651024 /nfs/dbraw/zinc/65/10/24/559651024.db2.gz KIYPNFGCTLIHLI-NEPJUHHUSA-N 1 0 351.403 2.059 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000425047406 559685074 /nfs/dbraw/zinc/68/50/74/559685074.db2.gz MMXOPAHSPFCQTC-QFBILLFUSA-N 1 0 372.469 2.364 20 5 FEBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425548547 559709159 /nfs/dbraw/zinc/70/91/59/559709159.db2.gz NBAPICSUOKJQKO-JQWIXIFHSA-N 1 0 355.358 2.313 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427779871 559762303 /nfs/dbraw/zinc/76/23/03/559762303.db2.gz IEHXAWDFNBFHCX-SDDRHHMPSA-N 1 0 353.806 2.036 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000429134384 559791599 /nfs/dbraw/zinc/79/15/99/559791599.db2.gz QNOHGHJSKNBARF-JOYOIKCWSA-N 1 0 361.320 2.345 20 5 FEBDRO COc1cc(NCC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000431495048 559840301 /nfs/dbraw/zinc/84/03/01/559840301.db2.gz OJFYUJRSBQWBCK-UHFFFAOYSA-N 1 0 350.419 2.008 20 5 FEBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433066647 559871084 /nfs/dbraw/zinc/87/10/84/559871084.db2.gz KKYFCJPDEQONCW-KBXCAEBGSA-N 1 0 357.410 2.457 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000433097785 559871704 /nfs/dbraw/zinc/87/17/04/559871704.db2.gz PGANRURSGBCZNL-LBPRGKRZSA-N 1 0 371.397 2.455 20 5 FEBDRO CCn1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000433101052 559871811 /nfs/dbraw/zinc/87/18/11/559871811.db2.gz GBVMTUMVKSLWJX-CYBMUJFWSA-N 1 0 358.398 2.283 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433323236 559877085 /nfs/dbraw/zinc/87/70/85/559877085.db2.gz VPLNLHVAYXRDJN-CZUORRHYSA-N 1 0 350.806 2.295 20 5 FEBDRO Cn1ccnc1CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432778 559922937 /nfs/dbraw/zinc/92/29/37/559922937.db2.gz OSUIQSALFMQFGJ-KRWDZBQOSA-N 1 0 355.442 2.473 20 5 FEBDRO Cn1ccnc1CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435560192 559925238 /nfs/dbraw/zinc/92/52/38/559925238.db2.gz UVTLKBYEGYDWHB-INIZCTEOSA-N 1 0 369.425 2.113 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435612994 559926188 /nfs/dbraw/zinc/92/61/88/559926188.db2.gz ABOHNBSCAOGYBL-ZDUSSCGKSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000440076339 560004303 /nfs/dbraw/zinc/00/43/03/560004303.db2.gz JEWPKWUPDOUEJZ-JSGCOSHPSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000440823501 560019000 /nfs/dbraw/zinc/01/90/00/560019000.db2.gz WHDMBKYMYZAUEV-HTQZYQBOSA-N 1 0 368.242 2.273 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444159906 560103418 /nfs/dbraw/zinc/10/34/18/560103418.db2.gz VCKSFHHKQNPWRL-XHDPSFHLSA-N 1 0 372.347 2.141 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000445065701 560127786 /nfs/dbraw/zinc/12/77/86/560127786.db2.gz MCZDRUDYEQKGMJ-UHFFFAOYSA-N 1 0 367.471 2.310 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000446477612 560146422 /nfs/dbraw/zinc/14/64/22/560146422.db2.gz OUTQZNWQHTYULG-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447242064 560158467 /nfs/dbraw/zinc/15/84/67/560158467.db2.gz FDUOCYYLURYNMV-HTQZYQBOSA-N 1 0 368.242 2.259 20 5 FEBDRO O=C(NCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447559825 560164479 /nfs/dbraw/zinc/16/44/79/560164479.db2.gz BDDWNIAXSDNCQK-HOTGVXAUSA-N 1 0 357.414 2.295 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447595809 560165035 /nfs/dbraw/zinc/16/50/35/560165035.db2.gz AOOKRYDVMNOOKA-OKZBNKHCSA-N 1 0 350.415 2.382 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000448180373 560179949 /nfs/dbraw/zinc/17/99/49/560179949.db2.gz MPQASZQSMRKJOD-CQSZACIVSA-N 1 0 370.413 2.086 20 5 FEBDRO C[C@@]12C[N@@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555952 560189876 /nfs/dbraw/zinc/18/98/76/560189876.db2.gz NSHANPLCDLUPSN-LHNCJSNSSA-N 1 0 367.405 2.371 20 5 FEBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448907648 560206121 /nfs/dbraw/zinc/20/61/21/560206121.db2.gz DNDVBXTWECUSBJ-UHFFFAOYSA-N 1 0 359.430 2.440 20 5 FEBDRO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000449069943 560214757 /nfs/dbraw/zinc/21/47/57/560214757.db2.gz BDNFXWGNGDXOPJ-DOMZBBRYSA-N 1 0 363.414 2.234 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000449097008 560215604 /nfs/dbraw/zinc/21/56/04/560215604.db2.gz BONWTSXMWHBRFB-UHFFFAOYSA-N 1 0 355.441 2.033 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[N@H+]2CCCO)c1 ZINC000449386024 560228446 /nfs/dbraw/zinc/22/84/46/560228446.db2.gz HENZNTADSSGFEC-CQSZACIVSA-N 1 0 359.373 2.133 20 5 FEBDRO COCCOC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449395260 560228778 /nfs/dbraw/zinc/22/87/78/560228778.db2.gz UNOQPRNQQZTQSN-HNNXBMFYSA-N 1 0 352.431 2.328 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000449398314 560229034 /nfs/dbraw/zinc/22/90/34/560229034.db2.gz XRGISQAEXRGFBR-CQSZACIVSA-N 1 0 359.373 2.133 20 5 FEBDRO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[N+](=O)[O-])C1 ZINC000449561513 560233495 /nfs/dbraw/zinc/23/34/95/560233495.db2.gz CPFFNBXVCYRNSZ-HZWIQKDOSA-N 1 0 358.442 2.025 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450257913 560256015 /nfs/dbraw/zinc/25/60/15/560256015.db2.gz NZSYHEYBHDOXHG-CQSZACIVSA-N 1 0 373.457 2.011 20 5 FEBDRO CC[C@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000450310179 560257968 /nfs/dbraw/zinc/25/79/68/560257968.db2.gz CPUTZIRHNOLZLG-KBPBESRZSA-N 1 0 374.441 2.433 20 5 FEBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)nc1-c1ccccc1 ZINC000450588015 560267172 /nfs/dbraw/zinc/26/71/72/560267172.db2.gz ASOXXHBDFAGFBT-INIZCTEOSA-N 1 0 356.426 2.916 20 5 FEBDRO Cc1c(Br)c(N[C@H]2CCCN(CCCO)C2)ncc1[N+](=O)[O-] ZINC000450614946 560267960 /nfs/dbraw/zinc/26/79/60/560267960.db2.gz NPRSRWJJULGYQV-NSHDSACASA-N 1 0 373.251 2.319 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450892548 560277042 /nfs/dbraw/zinc/27/70/42/560277042.db2.gz OSOYXUUUIVPJSY-ZDUSSCGKSA-N 1 0 352.822 2.039 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000450948148 560279560 /nfs/dbraw/zinc/27/95/60/560279560.db2.gz DRGWWICFPISOFH-OAHLLOKOSA-N 1 0 371.441 2.478 20 5 FEBDRO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000451330584 560300637 /nfs/dbraw/zinc/30/06/37/560300637.db2.gz PYRJGHDYMBUDAW-GOSISDBHSA-N 1 0 366.414 2.394 20 5 FEBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451484802 560309668 /nfs/dbraw/zinc/30/96/68/560309668.db2.gz XSUAELLIGKTBTB-SJORKVTESA-N 1 0 359.426 2.421 20 5 FEBDRO CC1(C)[C@H]([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@H]21 ZINC000451482693 560309757 /nfs/dbraw/zinc/30/97/57/560309757.db2.gz WRESJEOOCHBSHH-BMGDILEWSA-N 1 0 359.426 2.277 20 5 FEBDRO CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553149 560314452 /nfs/dbraw/zinc/31/44/52/560314452.db2.gz XPSXXJWIVXQKCB-OAHLLOKOSA-N 1 0 355.460 2.104 20 5 FEBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000451592994 560316352 /nfs/dbraw/zinc/31/63/52/560316352.db2.gz HAUJWCCZWVPTII-LPHOPBHVSA-N 1 0 363.458 2.363 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000451622830 560317668 /nfs/dbraw/zinc/31/76/68/560317668.db2.gz AXGPSADYXPPMEP-CVEARBPZSA-N 1 0 359.426 2.475 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451689355 560322163 /nfs/dbraw/zinc/32/21/63/560322163.db2.gz MBISGERQRPIADB-GDBMZVCRSA-N 1 0 369.425 2.479 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452126231 560352947 /nfs/dbraw/zinc/35/29/47/560352947.db2.gz YQAZWLFPRIQTHT-CQSZACIVSA-N 1 0 364.446 2.347 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453454337 560387046 /nfs/dbraw/zinc/38/70/46/560387046.db2.gz TXCZQHFOQNEKSW-IVMMDQJWSA-N 1 0 360.414 2.055 20 5 FEBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000454341978 560440911 /nfs/dbraw/zinc/44/09/11/560440911.db2.gz JDKXLOPVALSRJI-UHFFFAOYSA-N 1 0 367.425 2.272 20 5 FEBDRO CNc1nc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456035083 560505094 /nfs/dbraw/zinc/50/50/94/560505094.db2.gz ANUWACJATBEMBO-XJKSGUPXSA-N 1 0 369.425 2.282 20 5 FEBDRO CNc1nc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456040782 560505217 /nfs/dbraw/zinc/50/52/17/560505217.db2.gz FDHNOEJIWXLGDV-WBMJQRKESA-N 1 0 357.414 2.453 20 5 FEBDRO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(NC)n3)CCN2)cc1 ZINC000456073596 560506145 /nfs/dbraw/zinc/50/61/45/560506145.db2.gz VEERLQKVVQTOGA-MRXNPFEDSA-N 1 0 369.425 2.381 20 5 FEBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000456687662 560528942 /nfs/dbraw/zinc/52/89/42/560528942.db2.gz GBFWEJWNCRVOCB-UHFFFAOYSA-N 1 0 351.451 2.150 20 5 FEBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457097219 560548420 /nfs/dbraw/zinc/54/84/20/560548420.db2.gz RTLONUWIGHHWCJ-AWEZNQCLSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@H+](CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000457193363 560555315 /nfs/dbraw/zinc/55/53/15/560555315.db2.gz DCMJHTNEOYMLRU-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457905599 560593356 /nfs/dbraw/zinc/59/33/56/560593356.db2.gz URYCPRLLPFDNOO-ZDUSSCGKSA-N 1 0 350.419 2.135 20 5 FEBDRO CC(C)(C)C1CC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000459409376 560684900 /nfs/dbraw/zinc/68/49/00/560684900.db2.gz HKZSVEHTLGPNHZ-UHFFFAOYSA-N 1 0 355.460 2.287 20 5 FEBDRO CC[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459766230 560706972 /nfs/dbraw/zinc/70/69/72/560706972.db2.gz DGSKYPPSWPLHJB-OLZOCXBDSA-N 1 0 372.219 2.453 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000461465392 560772839 /nfs/dbraw/zinc/77/28/39/560772839.db2.gz FJPIGCZDFUPGLB-OAHLLOKOSA-N 1 0 357.414 2.350 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000461611624 560776536 /nfs/dbraw/zinc/77/65/36/560776536.db2.gz FGPZXOATFOSHKQ-GFCCVEGCSA-N 1 0 351.403 2.232 20 5 FEBDRO Cc1cc(Sc2nnnn2C[C@@H]2CC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946637 560789045 /nfs/dbraw/zinc/78/90/45/560789045.db2.gz NETHOPOUFKAYKT-SNVBAGLBSA-N 1 0 352.395 2.132 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000468477729 560931057 /nfs/dbraw/zinc/93/10/57/560931057.db2.gz FAEXKORFPXRQTA-INIZCTEOSA-N 1 0 372.429 2.026 20 5 FEBDRO CCC[NH+]1CCC(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000468684776 560936158 /nfs/dbraw/zinc/93/61/58/560936158.db2.gz MDHJRWIXYIZFTL-UHFFFAOYSA-N 1 0 362.430 2.242 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000470176334 560976116 /nfs/dbraw/zinc/97/61/16/560976116.db2.gz WBRMAUXOYZIZJC-IDJPSDCMSA-N 1 0 367.471 2.259 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616743 560985929 /nfs/dbraw/zinc/98/59/29/560985929.db2.gz DYXGSTZQQZLVDD-FRRDWIJNSA-N 1 0 373.450 2.379 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000471602496 561008307 /nfs/dbraw/zinc/00/83/07/561008307.db2.gz OOVNQKPSXZTVGQ-GOEBONIOSA-N 1 0 356.430 2.492 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000474310554 561070928 /nfs/dbraw/zinc/07/09/28/561070928.db2.gz KUFFZVBNENKWQG-IINYFYTJSA-N 1 0 350.325 2.077 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000475115072 561090858 /nfs/dbraw/zinc/09/08/58/561090858.db2.gz BBPVZOUKFAZIGP-GZBFAFLISA-N 1 0 366.414 2.128 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131303 561091267 /nfs/dbraw/zinc/09/12/67/561091267.db2.gz QGYLOOYPRROVNU-BLLLJJGKSA-N 1 0 352.387 2.003 20 5 FEBDRO COC(=O)COc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000475710823 561102887 /nfs/dbraw/zinc/10/28/87/561102887.db2.gz SNOIQEWTBRXDLR-UHFFFAOYSA-N 1 0 374.397 2.249 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000476353993 561117304 /nfs/dbraw/zinc/11/73/04/561117304.db2.gz MTYYNNWEEQCRNU-UHFFFAOYSA-N 1 0 371.441 2.109 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000476351537 561117385 /nfs/dbraw/zinc/11/73/85/561117385.db2.gz DEUFXCJBDQXXMW-GFCCVEGCSA-N 1 0 363.443 2.032 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000476631796 561124813 /nfs/dbraw/zinc/12/48/13/561124813.db2.gz PGNBRVHVABSDJT-ZDUSSCGKSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1cc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000531612354 562451506 /nfs/dbraw/zinc/45/15/06/562451506.db2.gz OOAIMEMULZGTAH-UHFFFAOYSA-N 1 0 369.468 2.341 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000531691328 562454100 /nfs/dbraw/zinc/45/41/00/562454100.db2.gz SFEHPDFCXLDXFV-CYBMUJFWSA-N 1 0 374.441 2.303 20 5 FEBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533449894 562509438 /nfs/dbraw/zinc/50/94/38/562509438.db2.gz MYIWASVVBOZMIX-ZDUSSCGKSA-N 1 0 363.414 2.421 20 5 FEBDRO CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000534827183 562543373 /nfs/dbraw/zinc/54/33/73/562543373.db2.gz DERVLOIBOHXYSW-UONOGXRCSA-N 1 0 355.485 2.191 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534980996 562546728 /nfs/dbraw/zinc/54/67/28/562546728.db2.gz RUPANZDHGIQEIM-ZDUSSCGKSA-N 1 0 360.414 2.163 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000535757930 562567062 /nfs/dbraw/zinc/56/70/62/562567062.db2.gz XHQYICAIHHZHEP-UHFFFAOYSA-N 1 0 366.462 2.144 20 5 FEBDRO COC(=O)c1cc(N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc(C)c1[N+](=O)[O-] ZINC000536995810 562583845 /nfs/dbraw/zinc/58/38/45/562583845.db2.gz KVIUYMTZYPRQAD-KGLIPLIRSA-N 1 0 353.444 2.172 20 5 FEBDRO CNc1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901368 562596134 /nfs/dbraw/zinc/59/61/34/562596134.db2.gz ZSJGADFPRNSOHX-DOTOQJQBSA-N 1 0 354.410 2.464 20 5 FEBDRO COc1ccc(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542069872 562626372 /nfs/dbraw/zinc/62/63/72/562626372.db2.gz KNHDORBSPTWGMW-IBGZPJMESA-N 1 0 371.393 2.179 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)c1[N+](=O)[O-] ZINC000568412617 568031050 /nfs/dbraw/zinc/03/10/50/568031050.db2.gz BAQWLRFCFOPGFB-UHFFFAOYSA-N 1 0 353.444 2.104 20 5 FEBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568620371 568099773 /nfs/dbraw/zinc/09/97/73/568099773.db2.gz MDHFWSNWKMFEIG-ZDUSSCGKSA-N 1 0 364.423 2.295 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569102259 568275862 /nfs/dbraw/zinc/27/58/62/568275862.db2.gz NHWHBSKTFITVJI-RYUDHWBXSA-N 1 0 373.862 2.258 20 5 FEBDRO C[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569289451 568337662 /nfs/dbraw/zinc/33/76/62/568337662.db2.gz IGYLZSATOHCWKD-INIZCTEOSA-N 1 0 374.485 2.184 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc(N3CCCC[C@H]3CO)ncn1)C2 ZINC000569301912 568346497 /nfs/dbraw/zinc/34/64/97/568346497.db2.gz UWWKZZIXXRVAQX-HNNXBMFYSA-N 1 0 369.425 2.299 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000557673892 674460312 /nfs/dbraw/zinc/46/03/12/674460312.db2.gz MFEVFAZLWFFNMJ-CYBMUJFWSA-N 1 0 350.419 2.617 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000557649224 674459332 /nfs/dbraw/zinc/45/93/32/674459332.db2.gz CIVACETVUPITOP-UHFFFAOYSA-N 1 0 364.475 2.428 20 5 FEBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809834816 674514743 /nfs/dbraw/zinc/51/47/43/674514743.db2.gz GKPLSHXIHDZXQR-UHFFFAOYSA-N 1 0 353.803 2.006 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000559129727 674528853 /nfs/dbraw/zinc/52/88/53/674528853.db2.gz CONMLPFGGSXLBX-INIZCTEOSA-N 1 0 353.444 2.010 20 5 FEBDRO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000821581634 606699195 /nfs/dbraw/zinc/69/91/95/606699195.db2.gz QVWJSVCCXAQPQC-ZDUSSCGKSA-N 1 0 372.364 2.024 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240098 606730729 /nfs/dbraw/zinc/73/07/29/606730729.db2.gz DXRVEBSVUJVGMY-BMIGLBTASA-N 1 0 368.401 2.075 20 5 FEBDRO O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000563115401 674848428 /nfs/dbraw/zinc/84/84/28/674848428.db2.gz BCPNTDMHCIHYSW-GFCCVEGCSA-N 1 0 368.365 2.445 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c(C)cc1[N+](=O)[O-] ZINC000563446291 674890524 /nfs/dbraw/zinc/89/05/24/674890524.db2.gz PSRYVVBMUYJHCB-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815008464 674895153 /nfs/dbraw/zinc/89/51/53/674895153.db2.gz XFRFCUZOXUHZAY-UHFFFAOYSA-N 1 0 365.814 2.150 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000564914127 675076085 /nfs/dbraw/zinc/07/60/85/675076085.db2.gz VHBWNIMLPUMSGF-UHFFFAOYSA-N 1 0 362.411 2.197 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816928869 675087243 /nfs/dbraw/zinc/08/72/43/675087243.db2.gz UCJYRYIFDSIPBX-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO CC[NH+]1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816869509 675083715 /nfs/dbraw/zinc/08/37/15/675083715.db2.gz UDEJMCCIVHAWIJ-UHFFFAOYSA-N 1 0 354.838 2.006 20 5 FEBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067271334 670456359 /nfs/dbraw/zinc/45/63/59/670456359.db2.gz XTKFXRAYPVMICK-GFCCVEGCSA-N 1 0 350.375 2.353 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000565303756 675110052 /nfs/dbraw/zinc/11/00/52/675110052.db2.gz QZXXGEJDQIIACT-HUUCEWRRSA-N 1 0 367.471 2.222 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571641969 670905169 /nfs/dbraw/zinc/90/51/69/670905169.db2.gz XBUXXHXWLPLGQT-HUUCEWRRSA-N 1 0 367.471 2.167 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCOc1ccc(Cl)cn1 ZINC000566004794 675167475 /nfs/dbraw/zinc/16/74/75/675167475.db2.gz DMQZDOGTOFFXMG-CYBMUJFWSA-N 1 0 367.789 2.052 20 5 FEBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000566009834 675167836 /nfs/dbraw/zinc/16/78/36/675167836.db2.gz NKZYHJVCAHZCHO-QWRGUYRKSA-N 1 0 350.419 2.073 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566020283 675168274 /nfs/dbraw/zinc/16/82/74/675168274.db2.gz KWEUHUSUXAIZOQ-SOUVJXGZSA-N 1 0 353.444 2.032 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000573323399 671109258 /nfs/dbraw/zinc/10/92/58/671109258.db2.gz GUOISVHJSBOMGN-GOEBONIOSA-N 1 0 367.471 2.310 20 5 FEBDRO C[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000573834082 671170318 /nfs/dbraw/zinc/17/03/18/671170318.db2.gz LOOXSUKKAOZZQN-INMHGKMJSA-N 1 0 351.447 2.045 20 5 FEBDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108202 675181478 /nfs/dbraw/zinc/18/14/78/675181478.db2.gz DMJYTVOHVHHFOC-BFYDXBDKSA-N 1 0 351.447 2.045 20 5 FEBDRO COCCCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000574373714 671232109 /nfs/dbraw/zinc/23/21/09/671232109.db2.gz DCOZBNCWZCYYHD-UHFFFAOYSA-N 1 0 353.394 2.307 20 5 FEBDRO CN1CC[NH+](CCCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000574748503 671274221 /nfs/dbraw/zinc/27/42/21/671274221.db2.gz NKPBTCNLWJVDAA-UHFFFAOYSA-N 1 0 361.368 2.448 20 5 FEBDRO [NH3+]CC12CCC(CC1)CN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000576530071 671375428 /nfs/dbraw/zinc/37/54/28/671375428.db2.gz SWDQYDQYGGLBOJ-UHFFFAOYSA-N 1 0 352.822 2.390 20 5 FEBDRO COC(=O)c1cc(C)nc(NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000576571822 671378265 /nfs/dbraw/zinc/37/82/65/671378265.db2.gz YFXXDXAKTNYFFJ-UHFFFAOYSA-N 1 0 352.435 3.006 20 5 FEBDRO CCc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000576939766 671406024 /nfs/dbraw/zinc/40/60/24/671406024.db2.gz KDTSARDDPKBTGA-AWEZNQCLSA-N 1 0 355.460 2.308 20 5 FEBDRO Cc1nn(CCC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000609346350 675919467 /nfs/dbraw/zinc/91/94/67/675919467.db2.gz CTWFMSIWZXOBMG-STQMWFEESA-N 1 0 351.451 2.177 20 5 FEBDRO CCCc1n[nH]c(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476780 675923271 /nfs/dbraw/zinc/92/32/71/675923271.db2.gz RBZCVALAXXLCLF-RWMBFGLXSA-N 1 0 351.451 2.367 20 5 FEBDRO CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000578370919 671660504 /nfs/dbraw/zinc/66/05/04/671660504.db2.gz BLTDKIPFPREDLA-CQSZACIVSA-N 1 0 357.476 2.177 20 5 FEBDRO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000609732239 675934609 /nfs/dbraw/zinc/93/46/09/675934609.db2.gz IZSXRAIZZNSPBO-UHFFFAOYSA-N 1 0 373.862 2.182 20 5 FEBDRO CC1(C)C[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000580423042 671806179 /nfs/dbraw/zinc/80/61/79/671806179.db2.gz CHZKKQFUUJUSJI-CYBMUJFWSA-N 1 0 356.444 2.163 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000580774043 671832038 /nfs/dbraw/zinc/83/20/38/671832038.db2.gz LQEVIYUUSSCZRK-JKSUJKDBSA-N 1 0 352.431 2.113 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCN(CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000581188328 671871857 /nfs/dbraw/zinc/87/18/57/671871857.db2.gz WSEBUFOIFGLYPR-CQSZACIVSA-N 1 0 355.460 2.262 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119363533 671898289 /nfs/dbraw/zinc/89/82/89/671898289.db2.gz IUCYPLHFBQAZKA-UHFFFAOYSA-N 1 0 369.468 2.409 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000123050341 671974399 /nfs/dbraw/zinc/97/43/99/671974399.db2.gz GJXSMQGPAAJBQG-PWSUYJOCSA-N 1 0 361.851 2.447 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOC2CCOCC2)n1 ZINC000582466466 672003871 /nfs/dbraw/zinc/00/38/71/672003871.db2.gz XGZLGZSXJLGVBI-JKSUJKDBSA-N 1 0 352.435 2.450 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000582845034 672039515 /nfs/dbraw/zinc/03/95/15/672039515.db2.gz APPHORWMQFRJEF-HDJSIYSDSA-N 1 0 355.460 2.255 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC000584566732 672200106 /nfs/dbraw/zinc/20/01/06/672200106.db2.gz LLLHJPJWCOFFRW-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000584868378 672223494 /nfs/dbraw/zinc/22/34/94/672223494.db2.gz HDQVVFOJZVNSMF-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1SC ZINC000590567130 672590399 /nfs/dbraw/zinc/59/03/99/672590399.db2.gz XQCGAROWQZYPHF-PWSUYJOCSA-N 1 0 353.444 2.490 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590848 672593701 /nfs/dbraw/zinc/59/37/01/672593701.db2.gz FQJWMJJWRFFLFX-CYBMUJFWSA-N 1 0 373.450 2.441 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000590591722 672594414 /nfs/dbraw/zinc/59/44/14/672594414.db2.gz SKTWSALOTFHRLZ-UHFFFAOYSA-N 1 0 371.434 2.195 20 5 FEBDRO CS(=O)(=O)C[C@H]1CCCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590758816 672612431 /nfs/dbraw/zinc/61/24/31/672612431.db2.gz PAQFQTWTUSBSKJ-OAHLLOKOSA-N 1 0 356.444 2.263 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cc(F)cc(F)c2)cc1 ZINC000591728860 672705614 /nfs/dbraw/zinc/70/56/14/672705614.db2.gz AONRHYPXCFVFQU-UHFFFAOYSA-N 1 0 370.377 2.479 20 5 FEBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000591760862 672708991 /nfs/dbraw/zinc/70/89/91/672708991.db2.gz JZONCOJOCHWIIS-KBAYOESNSA-N 1 0 350.415 2.129 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(c1ncc([N+](=O)[O-])cc1Br)CCO2 ZINC000591992084 672730602 /nfs/dbraw/zinc/73/06/02/672730602.db2.gz NRDMTQZHDGMGPR-UHFFFAOYSA-N 1 0 371.235 2.053 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000193909869 672740783 /nfs/dbraw/zinc/74/07/83/672740783.db2.gz CEZOZPFMWPZPSJ-UHFFFAOYSA-N 1 0 353.444 2.056 20 5 FEBDRO CCOC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130363 672762282 /nfs/dbraw/zinc/76/22/82/672762282.db2.gz FMAXKEWTQJVNHV-ULQDDVLXSA-N 1 0 352.431 2.098 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000612121387 676069698 /nfs/dbraw/zinc/06/96/98/676069698.db2.gz RPETZZPCIVEFIO-CVEARBPZSA-N 1 0 350.415 2.226 20 5 FEBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593067241 672871112 /nfs/dbraw/zinc/87/11/12/672871112.db2.gz IIVZUNUKDUAKBP-ZDUSSCGKSA-N 1 0 351.403 2.433 20 5 FEBDRO CN(C)c1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC000612346637 676078284 /nfs/dbraw/zinc/07/82/84/676078284.db2.gz LFTICMXOIVDTII-UHFFFAOYSA-N 1 0 362.411 2.393 20 5 FEBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593535183 672936277 /nfs/dbraw/zinc/93/62/77/672936277.db2.gz KAICYMHBWIATNG-CHWSQXEVSA-N 1 0 370.475 2.025 20 5 FEBDRO CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593585831 672951099 /nfs/dbraw/zinc/95/10/99/672951099.db2.gz UMFCEGBJRNCAKW-UHFFFAOYSA-N 1 0 370.475 2.313 20 5 FEBDRO [NH3+]C[C@]12CCC[C@H]1CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000593735968 672985331 /nfs/dbraw/zinc/98/53/31/672985331.db2.gz BGXJHSVYPFSAHW-ZBEGNZNMSA-N 1 0 352.822 2.248 20 5 FEBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1[N+](=O)[O-] ZINC000593918848 673008209 /nfs/dbraw/zinc/00/82/09/673008209.db2.gz KQGAHFVHUXSULW-SCRDCRAPSA-N 1 0 353.444 2.466 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CO ZINC000594017369 673021460 /nfs/dbraw/zinc/02/14/60/673021460.db2.gz XCLKJEBMWHUMSY-CQSZACIVSA-N 1 0 351.403 2.169 20 5 FEBDRO [NH3+]C[C@@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000594450738 673073817 /nfs/dbraw/zinc/07/38/17/673073817.db2.gz XPJRVSFSUCXMMB-SNVBAGLBSA-N 1 0 355.700 2.023 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484381 673088331 /nfs/dbraw/zinc/08/83/31/673088331.db2.gz QLFMGHWUWJVFQD-HIFRSBDPSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594484744 673088708 /nfs/dbraw/zinc/08/87/08/673088708.db2.gz TVWSLQUFODHXHE-HUUCEWRRSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594576058 673101344 /nfs/dbraw/zinc/10/13/44/673101344.db2.gz ZEMLNRVJIIOINF-RDJZCZTQSA-N 1 0 350.415 2.416 20 5 FEBDRO COCc1csc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000594732425 673125608 /nfs/dbraw/zinc/12/56/08/673125608.db2.gz KPTUAVJYOZXUEB-AWEZNQCLSA-N 1 0 352.412 2.332 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000594861017 673168437 /nfs/dbraw/zinc/16/84/37/673168437.db2.gz HKAHVOXXQBVVDH-ZDUSSCGKSA-N 1 0 371.459 2.002 20 5 FEBDRO CCOC1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595034471 673188247 /nfs/dbraw/zinc/18/82/47/673188247.db2.gz VUMJVRGVSJTSPG-UHFFFAOYSA-N 1 0 356.444 2.306 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)cc1SC ZINC000424031553 673203252 /nfs/dbraw/zinc/20/32/52/673203252.db2.gz SQMKCBMKZUWGNJ-INIZCTEOSA-N 1 0 351.428 2.293 20 5 FEBDRO Cc1nn(C)c(C(=O)NCCCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000729339798 673232891 /nfs/dbraw/zinc/23/28/91/673232891.db2.gz ANZWDNJGZAMMNL-UHFFFAOYSA-N 1 0 351.451 2.413 20 5 FEBDRO Cc1sc(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000595407707 673244779 /nfs/dbraw/zinc/24/47/79/673244779.db2.gz GAZZMAKPXPFSOP-UHFFFAOYSA-N 1 0 373.500 2.365 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1SC ZINC000462891219 673287944 /nfs/dbraw/zinc/28/79/44/673287944.db2.gz ZUCRMUYLUKAQSA-WCQYABFASA-N 1 0 365.455 2.443 20 5 FEBDRO C[NH2+]C[C@H](C)NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000595983440 673345481 /nfs/dbraw/zinc/34/54/81/673345481.db2.gz NWSJDFPWSYFYOV-QMMMGPOBSA-N 1 0 372.212 2.425 20 5 FEBDRO COC(=O)c1c(Cl)c(NC[C@H](C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000596103736 673359120 /nfs/dbraw/zinc/35/91/20/673359120.db2.gz FTCYGXXWFPRSIP-NSHDSACASA-N 1 0 370.837 2.083 20 5 FEBDRO CC(C)n1c(Sc2cc[nH]c(=O)c2[N+](=O)[O-])nnc1C1CC[NH2+]CC1 ZINC000596130742 673361893 /nfs/dbraw/zinc/36/18/93/673361893.db2.gz FHPIWFCJFFHHCV-UHFFFAOYSA-N 1 0 364.431 2.486 20 5 FEBDRO CN(CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000613537223 676133107 /nfs/dbraw/zinc/13/31/07/676133107.db2.gz XLXJYHZCLZVQKJ-GDBMZVCRSA-N 1 0 369.487 2.177 20 5 FEBDRO C[C@H]1CN(CCNc2ncc(Br)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596428050 673384424 /nfs/dbraw/zinc/38/44/24/673384424.db2.gz GSJWKXRFUCUHGD-UWVGGRQHSA-N 1 0 359.224 2.273 20 5 FEBDRO C[NH+](C)CCC[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000596566434 673394051 /nfs/dbraw/zinc/39/40/51/673394051.db2.gz LKADRVPOODBDMA-LLVKDONJSA-N 1 0 351.432 2.147 20 5 FEBDRO Cc1ccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000596633754 673399420 /nfs/dbraw/zinc/39/94/20/673399420.db2.gz AOGSHEFMMTUCKR-HNNXBMFYSA-N 1 0 350.419 2.478 20 5 FEBDRO Cc1c(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000596635795 673399657 /nfs/dbraw/zinc/39/96/57/673399657.db2.gz OIFDEMHNCRLTAF-AWEZNQCLSA-N 1 0 350.419 2.478 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000733158962 673401146 /nfs/dbraw/zinc/40/11/46/673401146.db2.gz VGANGHVGCPJOIU-AWEZNQCLSA-N 1 0 351.378 2.107 20 5 FEBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000538116587 673422435 /nfs/dbraw/zinc/42/24/35/673422435.db2.gz MXUIZIQERGDMDC-KBPBESRZSA-N 1 0 353.444 2.041 20 5 FEBDRO Cc1c(Br)cc(C(=O)N2CCC3(C[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597571912 673488400 /nfs/dbraw/zinc/48/84/00/673488400.db2.gz KTFMLWYNVLDKPX-UHFFFAOYSA-N 1 0 368.231 2.443 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597943274 673521779 /nfs/dbraw/zinc/52/17/79/673521779.db2.gz WSWAGTBAZFPYHD-HNNXBMFYSA-N 1 0 350.463 2.213 20 5 FEBDRO C[N@H+]1CC=C(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000540535882 673545825 /nfs/dbraw/zinc/54/58/25/673545825.db2.gz LRNVWQAVEFQVQE-UHFFFAOYSA-N 1 0 353.806 2.395 20 5 FEBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000598536231 673579955 /nfs/dbraw/zinc/57/99/55/673579955.db2.gz PFWBANJMHYKFAV-CYBMUJFWSA-N 1 0 353.444 2.372 20 5 FEBDRO CSc1ccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000598540394 673580309 /nfs/dbraw/zinc/58/03/09/673580309.db2.gz DQBZIZLLVQCFFW-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000598602422 673588632 /nfs/dbraw/zinc/58/86/32/673588632.db2.gz NTWOKYGYWKLLBZ-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000598610196 673590160 /nfs/dbraw/zinc/59/01/60/673590160.db2.gz FZHPDDZXMAMXIM-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO COc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000599161548 673637596 /nfs/dbraw/zinc/63/75/96/673637596.db2.gz ZWWFBRSBOCVJGK-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCC[NH+]1CCCC1 ZINC000543620074 673656853 /nfs/dbraw/zinc/65/68/53/673656853.db2.gz SPZWIRCPNGURNS-UHFFFAOYSA-N 1 0 355.460 2.264 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCC[NH+]2CCCCC2)c1 ZINC000543679309 673661309 /nfs/dbraw/zinc/66/13/09/673661309.db2.gz UDRZVEFNMYWOHD-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO COc1cc(C(=O)OC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000741117709 673671494 /nfs/dbraw/zinc/67/14/94/673671494.db2.gz BIFRNZVBKQDSDB-AWEZNQCLSA-N 1 0 352.387 2.117 20 5 FEBDRO Cc1c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720665 673695460 /nfs/dbraw/zinc/69/54/60/673695460.db2.gz ISUCSCUCRIMOPU-SKDRFNHKSA-N 1 0 350.375 2.332 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000599672202 673704614 /nfs/dbraw/zinc/70/46/14/673704614.db2.gz AGEHHPJTVVBQPP-UHFFFAOYSA-N 1 0 353.419 2.415 20 5 FEBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000599673959 673704886 /nfs/dbraw/zinc/70/48/86/673704886.db2.gz WYXGIDHSLVMOGZ-GFCCVEGCSA-N 1 0 353.419 2.413 20 5 FEBDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691540 673707009 /nfs/dbraw/zinc/70/70/09/673707009.db2.gz PDXAROCXVJIZEB-KBPBESRZSA-N 1 0 355.460 2.225 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)C1CC1 ZINC000544386255 673709284 /nfs/dbraw/zinc/70/92/84/673709284.db2.gz KENSERZJHUNJNE-JKSUJKDBSA-N 1 0 352.456 2.473 20 5 FEBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000544572778 673718554 /nfs/dbraw/zinc/71/85/54/673718554.db2.gz OJUGYTQXVQJGGL-BBRMVZONSA-N 1 0 356.444 2.162 20 5 FEBDRO C[C@@]1(CN(CC[NH3+])c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCCS1 ZINC000600161772 673745289 /nfs/dbraw/zinc/74/52/89/673745289.db2.gz OFNGOZLRZBOAKD-HNNXBMFYSA-N 1 0 373.500 2.049 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000600212852 673749665 /nfs/dbraw/zinc/74/96/65/673749665.db2.gz IJKMZFWDZWXOEQ-SCZPIIQISA-N 1 0 367.471 2.259 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744423281 673795796 /nfs/dbraw/zinc/79/57/96/673795796.db2.gz CCZIQKXRSAINAR-LBPRGKRZSA-N 1 0 354.838 2.460 20 5 FEBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779234 673817898 /nfs/dbraw/zinc/81/78/98/673817898.db2.gz ZPGIUANJCLKGRM-KBPBESRZSA-N 1 0 355.460 2.277 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)O1 ZINC000601101040 673826175 /nfs/dbraw/zinc/82/61/75/673826175.db2.gz GHNJZHVLLJPLGT-AOOOYVTPSA-N 1 0 365.356 2.258 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1OC ZINC000614712680 676188115 /nfs/dbraw/zinc/18/81/15/676188115.db2.gz RFNSVMAQTFTADD-CHWSQXEVSA-N 1 0 351.403 2.215 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([N+](=O)[O-])s1 ZINC000601341502 673845078 /nfs/dbraw/zinc/84/50/78/673845078.db2.gz DEADQUBUWSORRO-NWDGAFQWSA-N 1 0 359.473 2.117 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000601428449 673860592 /nfs/dbraw/zinc/86/05/92/673860592.db2.gz MACCLVZBEMKISV-UHFFFAOYSA-N 1 0 355.460 2.316 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(CC)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000601428972 673860656 /nfs/dbraw/zinc/86/06/56/673860656.db2.gz QBDWYWFWUXMXTN-UHFFFAOYSA-N 1 0 355.460 2.262 20 5 FEBDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)CC2 ZINC000602532892 673907368 /nfs/dbraw/zinc/90/73/68/673907368.db2.gz NXNYGYZAYQOYIM-MRVPVSSYSA-N 1 0 372.248 2.423 20 5 FEBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000602543483 673907631 /nfs/dbraw/zinc/90/76/31/673907631.db2.gz KPQFCYCUIOMKRL-NWDGAFQWSA-N 1 0 361.320 2.406 20 5 FEBDRO CO[C@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602618903 673908796 /nfs/dbraw/zinc/90/87/96/673908796.db2.gz VRBYLNPFHYNDHH-NSHDSACASA-N 1 0 351.222 2.314 20 5 FEBDRO CCN(CC)C(=O)C1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCCCC1 ZINC000602789949 673911313 /nfs/dbraw/zinc/91/13/13/673911313.db2.gz BUAHFRXPNBVICR-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602853388 673912161 /nfs/dbraw/zinc/91/21/61/673912161.db2.gz YKXJRZDHJCFVEM-GXTWGEPZSA-N 1 0 352.435 2.399 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC3(C2)CC[NH+](C)CC3)c(C)cc1[N+](=O)[O-] ZINC000603384791 673927972 /nfs/dbraw/zinc/92/79/72/673927972.db2.gz SXNDDFYWCNUETQ-UHFFFAOYSA-N 1 0 367.471 2.318 20 5 FEBDRO O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000548713243 673989281 /nfs/dbraw/zinc/98/92/81/673989281.db2.gz HQPVBSYTBGBKGO-UHFFFAOYSA-N 1 0 361.427 2.162 20 5 FEBDRO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@@H+]1CCO ZINC000615140419 676204936 /nfs/dbraw/zinc/20/49/36/676204936.db2.gz DSADGRNVGRXXIR-UHFFFAOYSA-N 1 0 359.373 2.085 20 5 FEBDRO C[C@@H](CN1CC[NH+](C)CC1)N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000566801518 675243967 /nfs/dbraw/zinc/24/39/67/675243967.db2.gz UIQNHFIPBGONAK-WFASDCNBSA-N 1 0 360.380 2.424 20 5 FEBDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850653 675247759 /nfs/dbraw/zinc/24/77/59/675247759.db2.gz MNWNWQUTYKKQSV-PMPSAXMXSA-N 1 0 351.447 2.045 20 5 FEBDRO CCN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000819007010 675252167 /nfs/dbraw/zinc/25/21/67/675252167.db2.gz PVERHQHXQIANTP-HNNXBMFYSA-N 1 0 353.419 2.475 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000819176841 675266664 /nfs/dbraw/zinc/26/66/64/675266664.db2.gz OBYKECWAYYVGTA-ZDUSSCGKSA-N 1 0 360.292 2.013 20 5 FEBDRO CCOC(=O)c1csc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819257135 675274711 /nfs/dbraw/zinc/27/47/11/675274711.db2.gz STPRIMORQARZDZ-AWEZNQCLSA-N 1 0 365.411 2.094 20 5 FEBDRO C[NH+](C)C1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000819680505 675308685 /nfs/dbraw/zinc/30/86/85/675308685.db2.gz MWLFCODBWXQNEY-UHFFFAOYSA-N 1 0 356.220 2.109 20 5 FEBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000567784764 675322406 /nfs/dbraw/zinc/32/24/06/675322406.db2.gz VBCREMAJSQTNQU-LBPRGKRZSA-N 1 0 358.464 2.035 20 5 FEBDRO CN1C[C@@H]([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1=O ZINC000821322847 675426965 /nfs/dbraw/zinc/42/69/65/675426965.db2.gz MWZZVZDPVFPJDF-NSHDSACASA-N 1 0 356.220 2.410 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000823310711 675544073 /nfs/dbraw/zinc/54/40/73/675544073.db2.gz PSJAHVQVIQFHJF-SECBINFHSA-N 1 0 356.810 2.277 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000823782241 675571469 /nfs/dbraw/zinc/57/14/69/675571469.db2.gz NJSJQHWFYCEZMW-GFCCVEGCSA-N 1 0 350.371 2.397 20 5 FEBDRO O=C(N1C[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1)C(F)(F)F ZINC000824827125 675623719 /nfs/dbraw/zinc/62/37/19/675623719.db2.gz ANLSGRSDCUVKPI-STQMWFEESA-N 1 0 357.332 2.437 20 5 FEBDRO O=C1CC[C@H]([NH+]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000825147378 675638805 /nfs/dbraw/zinc/63/88/05/675638805.db2.gz FBYUASAZQKHPTL-HNNXBMFYSA-N 1 0 366.849 2.035 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825708337 675664917 /nfs/dbraw/zinc/66/49/17/675664917.db2.gz FUBLMTJDHBKOTJ-GFCCVEGCSA-N 1 0 355.822 2.397 20 5 FEBDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000604199228 675803983 /nfs/dbraw/zinc/80/39/83/675803983.db2.gz OUJXJXXLNDJUQB-JTQLQIEISA-N 1 0 361.320 2.360 20 5 FEBDRO CC1(C)C[C@H]([NH2+]CCCN2CCCS2(=O)=O)c2cc([N+](=O)[O-])ccc21 ZINC000618985518 676358872 /nfs/dbraw/zinc/35/88/72/676358872.db2.gz DWZDRPPCQUMFSW-INIZCTEOSA-N 1 0 367.471 2.332 20 5 FEBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619871313 676397869 /nfs/dbraw/zinc/39/78/69/676397869.db2.gz BGVABXXJUUPKAB-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000830435964 677039618 /nfs/dbraw/zinc/03/96/18/677039618.db2.gz VTPYOZQCGMZJQA-UHFFFAOYSA-N 1 0 373.196 2.076 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000838625940 680706940 /nfs/dbraw/zinc/70/69/40/680706940.db2.gz JMZGXWQQBDRVLE-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO O=C(C[NH2+]C1(CO)CCSCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000839179889 680743376 /nfs/dbraw/zinc/74/33/76/680743376.db2.gz OTQLNTTYTCQQSF-UHFFFAOYSA-N 1 0 359.835 2.034 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000762281419 680746721 /nfs/dbraw/zinc/74/67/21/680746721.db2.gz YSVCGFHQYIDSQN-GFCCVEGCSA-N 1 0 373.862 2.319 20 5 FEBDRO C[C@@H](O)C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000839565139 680762139 /nfs/dbraw/zinc/76/21/39/680762139.db2.gz YVGQNYWMWHBQOB-VXGBXAGGSA-N 1 0 372.263 2.244 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1Br ZINC000839651268 680769051 /nfs/dbraw/zinc/76/90/51/680769051.db2.gz OAUVANARDAEDHB-NEPJUHHUSA-N 1 0 359.220 2.234 20 5 FEBDRO O=C(OCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000747759458 679901693 /nfs/dbraw/zinc/90/16/93/679901693.db2.gz DFTIQPDHXWJMHY-UHFFFAOYSA-N 1 0 350.371 2.399 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272589 679947668 /nfs/dbraw/zinc/94/76/68/679947668.db2.gz OSQATNHQHOAFLR-CQSZACIVSA-N 1 0 350.375 2.194 20 5 FEBDRO C[C@@H]1CN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000749661659 680064859 /nfs/dbraw/zinc/06/48/59/680064859.db2.gz GWKSOCFTNSBSJH-CKEIUWERSA-N 1 0 351.447 2.106 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000832690411 680166026 /nfs/dbraw/zinc/16/60/26/680166026.db2.gz GESOGFFYGIWWGA-CABZTGNLSA-N 1 0 354.204 2.133 20 5 FEBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752109242 680224347 /nfs/dbraw/zinc/22/43/47/680224347.db2.gz ZDOCWZYGZSEWMZ-AWEZNQCLSA-N 1 0 351.378 2.061 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000996429205 680332265 /nfs/dbraw/zinc/33/22/65/680332265.db2.gz LXBQPHJWBRWRJN-TZMCWYRMSA-N 1 0 355.797 2.225 20 5 FEBDRO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC000985430555 680447266 /nfs/dbraw/zinc/44/72/66/680447266.db2.gz CITJFRFRVWNIAT-HZPDHXFCSA-N 1 0 351.472 2.453 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1Cl ZINC000836698061 680501618 /nfs/dbraw/zinc/50/16/18/680501618.db2.gz MHSMJCJQJXUUHQ-LBPRGKRZSA-N 1 0 368.865 2.170 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942233 680506344 /nfs/dbraw/zinc/50/63/44/680506344.db2.gz BNMBGBJUHCZHTK-AWEZNQCLSA-N 1 0 370.837 2.158 20 5 FEBDRO COC1CC[NH+](CCNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757261753 680520455 /nfs/dbraw/zinc/52/04/55/680520455.db2.gz JTLSOQHRRZJMKM-UHFFFAOYSA-N 1 0 370.837 2.158 20 5 FEBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001045436041 680629454 /nfs/dbraw/zinc/62/94/54/680629454.db2.gz FKCCPLIBMUDOOV-HUUCEWRRSA-N 1 0 351.834 2.476 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000842483007 680950013 /nfs/dbraw/zinc/95/00/13/680950013.db2.gz FAIIMNPRFVJQKJ-QMTHXVAHSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000842703175 680960695 /nfs/dbraw/zinc/96/06/95/680960695.db2.gz VLSZNMHQTGBFGC-UHFFFAOYSA-N 1 0 363.439 2.191 20 5 FEBDRO CC[NH+]1CCC(CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000771509765 681057709 /nfs/dbraw/zinc/05/77/09/681057709.db2.gz LCGHWEYHMBZBMQ-UHFFFAOYSA-N 1 0 363.443 2.451 20 5 FEBDRO COc1cc(OCC(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736638 681149767 /nfs/dbraw/zinc/14/97/67/681149767.db2.gz WRZCRCZGFZPOTB-LBPRGKRZSA-N 1 0 352.387 2.398 20 5 FEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000933215034 681377226 /nfs/dbraw/zinc/37/72/26/681377226.db2.gz VGQNIXUGWBOKBV-UHFFFAOYSA-N 1 0 373.251 2.353 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582885 681582687 /nfs/dbraw/zinc/58/26/87/681582687.db2.gz RKLXVFDAWMKQBV-LBPRGKRZSA-N 1 0 357.357 2.415 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581315 681582889 /nfs/dbraw/zinc/58/28/89/681582889.db2.gz OYNDDFUDNPWDAA-WCQYABFASA-N 1 0 355.341 2.309 20 5 FEBDRO CS[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+](C)C ZINC000778402991 681608465 /nfs/dbraw/zinc/60/84/65/681608465.db2.gz MCLJCINCSQIGTF-QWHCGFSZSA-N 1 0 359.398 2.191 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000934955775 681664125 /nfs/dbraw/zinc/66/41/25/681664125.db2.gz ZHOYJXHHYRHGRI-AWEZNQCLSA-N 1 0 367.471 2.283 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912920519 685466780 /nfs/dbraw/zinc/46/67/80/685466780.db2.gz XKJYQWZIPRVYMZ-WCQYABFASA-N 1 0 353.806 2.322 20 5 FEBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)cc1Cl ZINC000913979845 685491040 /nfs/dbraw/zinc/49/10/40/685491040.db2.gz YMRJTTGMAYKVQW-AWEZNQCLSA-N 1 0 360.819 2.443 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525094 682053653 /nfs/dbraw/zinc/05/36/53/682053653.db2.gz VFDKJYNVODCEEZ-QWHCGFSZSA-N 1 0 352.410 2.477 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783321966 682134891 /nfs/dbraw/zinc/13/48/91/682134891.db2.gz KDECPHAHCYUPIB-UHFFFAOYSA-N 1 0 356.810 2.035 20 5 FEBDRO CCC[N@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000851857595 682165327 /nfs/dbraw/zinc/16/53/27/682165327.db2.gz VPRVVFLIKNXEJM-UHFFFAOYSA-N 1 0 359.448 2.002 20 5 FEBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[NH2+]1 ZINC000851896557 682181243 /nfs/dbraw/zinc/18/12/43/682181243.db2.gz JXCYMKCACLGQAF-NSHDSACASA-N 1 0 365.814 2.006 20 5 FEBDRO O=[N+]([O-])c1nn(CN2CC[NH+](C3CCCC3)CC2)cc1Br ZINC000917614881 685533303 /nfs/dbraw/zinc/53/33/03/685533303.db2.gz BSUDGWITJORRCW-UHFFFAOYSA-N 1 0 358.240 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000917654451 685533552 /nfs/dbraw/zinc/53/35/52/685533552.db2.gz HBSQUDUNXVAQJH-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000917909472 685535680 /nfs/dbraw/zinc/53/56/80/685535680.db2.gz UCYDCVWMIWITMA-QWRGUYRKSA-N 1 0 359.835 2.153 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000918744478 685541827 /nfs/dbraw/zinc/54/18/27/685541827.db2.gz IUEJKMRQQHPTHP-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[NH+]1CCN(CCNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000853151547 682383665 /nfs/dbraw/zinc/38/36/65/682383665.db2.gz QTTZLNRTWWVJHO-UHFFFAOYSA-N 1 0 357.252 2.407 20 5 FEBDRO C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563060 682539347 /nfs/dbraw/zinc/53/93/47/682539347.db2.gz JZULKGPTJVHHLZ-CXAGYDPISA-N 1 0 366.487 2.036 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](O)c2ccsc2)cc1[N+](=O)[O-] ZINC000788962177 682570353 /nfs/dbraw/zinc/57/03/53/682570353.db2.gz HOBDDICPFJGYAW-CQSZACIVSA-N 1 0 366.395 2.031 20 5 FEBDRO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855286672 682653691 /nfs/dbraw/zinc/65/36/91/682653691.db2.gz VFEJESBGALCXHV-NSHDSACASA-N 1 0 352.410 2.403 20 5 FEBDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855345560 682659968 /nfs/dbraw/zinc/65/99/68/682659968.db2.gz CZBPQHLBXQSELP-LBPRGKRZSA-N 1 0 356.854 2.250 20 5 FEBDRO CC(C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000791893932 682773863 /nfs/dbraw/zinc/77/38/63/682773863.db2.gz KIRKHHPGONLTAB-UHFFFAOYSA-N 1 0 363.443 2.451 20 5 FEBDRO Cc1c(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000856486034 682788356 /nfs/dbraw/zinc/78/83/56/682788356.db2.gz UIQCKIFNXAKUMS-ZDUSSCGKSA-N 1 0 350.375 2.190 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000857765902 682910704 /nfs/dbraw/zinc/91/07/04/682910704.db2.gz LPJHANCZVOQSMD-ZLKJLUDKSA-N 1 0 355.341 2.152 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000858636461 682988528 /nfs/dbraw/zinc/98/85/28/682988528.db2.gz MIJPCHNZGSOPER-GASCZTMLSA-N 1 0 373.862 2.177 20 5 FEBDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150122 683082793 /nfs/dbraw/zinc/08/27/93/683082793.db2.gz GRTCUMANYVLPGI-JKSUJKDBSA-N 1 0 356.444 2.019 20 5 FEBDRO CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796235324 683144559 /nfs/dbraw/zinc/14/45/59/683144559.db2.gz HHCXOSJSKKXUEA-UHFFFAOYSA-N 1 0 373.456 2.392 20 5 FEBDRO C[C@@H]([NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926892857 683184423 /nfs/dbraw/zinc/18/44/23/683184423.db2.gz PCIZBCSZYXBJJF-OLZOCXBDSA-N 1 0 355.460 2.306 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000927037808 683202022 /nfs/dbraw/zinc/20/20/22/683202022.db2.gz KXTBQOSNZXGFAG-KQMXJJGSSA-N 1 0 356.419 2.363 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798160719 683315876 /nfs/dbraw/zinc/31/58/76/683315876.db2.gz NMGDLVTZFIKLGB-JTQLQIEISA-N 1 0 371.235 2.214 20 5 FEBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928100791 683390562 /nfs/dbraw/zinc/39/05/62/683390562.db2.gz ZPHPTTFULYVRAV-GDBMZVCRSA-N 1 0 364.471 2.093 20 5 FEBDRO COc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000930768801 683781812 /nfs/dbraw/zinc/78/18/12/683781812.db2.gz JYZPQANCYJFJIX-JSGCOSHPSA-N 1 0 366.443 2.305 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930883805 683796470 /nfs/dbraw/zinc/79/64/70/683796470.db2.gz IRCKPVROOLFUET-TZMCWYRMSA-N 1 0 366.443 2.305 20 5 FEBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865809338 684031071 /nfs/dbraw/zinc/03/10/71/684031071.db2.gz OSTTUDJCEBWWRA-NSHDSACASA-N 1 0 356.220 2.110 20 5 FEBDRO CC(C)CN(CC1CC[NH+](C)CC1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000866261545 684086801 /nfs/dbraw/zinc/08/68/01/684086801.db2.gz WEIKZXNRFSRCDU-UHFFFAOYSA-N 1 0 350.463 2.474 20 5 FEBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000866356546 684094315 /nfs/dbraw/zinc/09/43/15/684094315.db2.gz DVVIKKAQFVVHRU-SWLSCSKDSA-N 1 0 373.450 2.069 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866414544 684100602 /nfs/dbraw/zinc/10/06/02/684100602.db2.gz PITHJBRDXFILPM-HIFRSBDPSA-N 1 0 351.447 2.489 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000866616770 684126534 /nfs/dbraw/zinc/12/65/34/684126534.db2.gz UHVNSIZFJKDYMT-ZDUSSCGKSA-N 1 0 371.434 2.291 20 5 FEBDRO C[NH+](C)CCCS(=O)(=O)Oc1c(Br)cccc1[N+](=O)[O-] ZINC000866987021 684191993 /nfs/dbraw/zinc/19/19/93/684191993.db2.gz HFMCQZYRCRBSEI-UHFFFAOYSA-N 1 0 367.221 2.018 20 5 FEBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000867308592 684243397 /nfs/dbraw/zinc/24/33/97/684243397.db2.gz KTYMABSTNUIMLH-KCJUWKMLSA-N 1 0 365.814 2.100 20 5 FEBDRO CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000867349726 684254856 /nfs/dbraw/zinc/25/48/56/684254856.db2.gz PTYNSQYOCZFDJW-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923445145 684281960 /nfs/dbraw/zinc/28/19/60/684281960.db2.gz UECMAJDZEAHPGM-UPJWGTAASA-N 1 0 350.419 2.003 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000867618573 684333103 /nfs/dbraw/zinc/33/31/03/684333103.db2.gz DXRXUFNBTCFEDG-UHFFFAOYSA-N 1 0 367.471 2.400 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1C ZINC000923735624 684342500 /nfs/dbraw/zinc/34/25/00/684342500.db2.gz KPADEUGYPCZTIY-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000932033493 684396158 /nfs/dbraw/zinc/39/61/58/684396158.db2.gz BIKWKTLOZOMAIS-AWEZNQCLSA-N 1 0 367.471 2.500 20 5 FEBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868519615 684505044 /nfs/dbraw/zinc/50/50/44/684505044.db2.gz CYEONUUGRNQLHB-FZMZJTMJSA-N 1 0 368.231 2.062 20 5 FEBDRO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925762980 684583358 /nfs/dbraw/zinc/58/33/58/684583358.db2.gz PQCYREAZWIUSHN-HHVGHTAVSA-N 1 0 352.232 2.443 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869779260 684654932 /nfs/dbraw/zinc/65/49/32/684654932.db2.gz WHYCQLNWHHSGOK-LBPRGKRZSA-N 1 0 355.822 2.132 20 5 FEBDRO CC[C@@H](C[NH+](C)C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000870552393 684729715 /nfs/dbraw/zinc/72/97/15/684729715.db2.gz VMYYWMYAYVQBLB-RYUDHWBXSA-N 1 0 369.443 2.144 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC23CCOCC3)c1 ZINC000872229040 684929608 /nfs/dbraw/zinc/92/96/08/684929608.db2.gz MILYVMUYGJLOHB-ZBFHGGJFSA-N 1 0 350.415 2.131 20 5 FEBDRO COc1cc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000873228413 685099415 /nfs/dbraw/zinc/09/94/15/685099415.db2.gz UFYJBRIYUGPFCM-QWRGUYRKSA-N 1 0 363.336 2.181 20 5 FEBDRO CCN(C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1)S(C)(=O)=O ZINC000876722555 686253489 /nfs/dbraw/zinc/25/34/89/686253489.db2.gz YEOSQYDVPIAFJF-UHFFFAOYSA-N 1 0 369.487 2.458 20 5 FEBDRO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924281 686295825 /nfs/dbraw/zinc/29/58/25/686295825.db2.gz KWPWRHHMAUFPGZ-CQSZACIVSA-N 1 0 354.204 2.325 20 5 FEBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877113954 686327257 /nfs/dbraw/zinc/32/72/57/686327257.db2.gz IDPSMCAUVONUEO-AWEZNQCLSA-N 1 0 367.833 2.479 20 5 FEBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877357618 686361472 /nfs/dbraw/zinc/36/14/72/686361472.db2.gz MDNUQPCKNZZECV-VHSXEESVSA-N 1 0 361.320 2.203 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877376384 686368587 /nfs/dbraw/zinc/36/85/87/686368587.db2.gz QZASZEQAGGCDIY-XMZIXOGTSA-N 1 0 353.806 2.083 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC000877396383 686371695 /nfs/dbraw/zinc/37/16/95/686371695.db2.gz WGNCNUSEDOPTHN-WBVHZDCISA-N 1 0 365.455 2.237 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCN(CC(F)(F)F)CC3)C2)c1 ZINC000877457864 686381232 /nfs/dbraw/zinc/38/12/32/686381232.db2.gz DZWSJTWEGRAAJC-UHFFFAOYSA-N 1 0 361.368 2.359 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000877514311 686397448 /nfs/dbraw/zinc/39/74/48/686397448.db2.gz JEISYLARYRXEFH-OAHLLOKOSA-N 1 0 369.487 2.315 20 5 FEBDRO CC(C)(C)[C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CS1 ZINC000877831749 686473028 /nfs/dbraw/zinc/47/30/28/686473028.db2.gz YCLVDNRJZRZJSN-LCGIIJARSA-N 1 0 354.472 2.499 20 5 FEBDRO Cc1ncc(CNC(=O)CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000878303398 686560834 /nfs/dbraw/zinc/56/08/34/686560834.db2.gz PPALQOBPCRKCKY-UHFFFAOYSA-N 1 0 360.439 2.424 20 5 FEBDRO C[N@@H+]1C[C@@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000878640325 686625976 /nfs/dbraw/zinc/62/59/76/686625976.db2.gz HNAWTDCZYBDONJ-IINYFYTJSA-N 1 0 363.805 2.434 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878650199 686628423 /nfs/dbraw/zinc/62/84/23/686628423.db2.gz HWSCRPIAUCUMAM-GFCCVEGCSA-N 1 0 351.403 2.216 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879322721 686795738 /nfs/dbraw/zinc/79/57/38/686795738.db2.gz VJRJKDTXQULJGS-JSGCOSHPSA-N 1 0 351.403 2.431 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574994 686860094 /nfs/dbraw/zinc/86/00/94/686860094.db2.gz HSEQODXHHGJAQV-RISCZKNCSA-N 1 0 352.822 2.213 20 5 FEBDRO Cc1sc(C(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000881469780 687136570 /nfs/dbraw/zinc/13/65/70/687136570.db2.gz LWBVWJICAQSPCP-ZDUSSCGKSA-N 1 0 353.444 2.338 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000884954312 687973357 /nfs/dbraw/zinc/97/33/57/687973357.db2.gz CBUKGNJGJZDYLE-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000885892884 688179772 /nfs/dbraw/zinc/17/97/72/688179772.db2.gz FSYWFIIDFKTVRA-LBPRGKRZSA-N 1 0 371.796 2.370 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Cl ZINC000889752015 688816664 /nfs/dbraw/zinc/81/66/64/688816664.db2.gz UBPPJLDUVDGNRZ-CABCVRRESA-N 1 0 367.833 2.228 20 5 FEBDRO COc1ccc(CNC(=O)N(C)CC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000892212575 689165244 /nfs/dbraw/zinc/16/52/44/689165244.db2.gz RJNKROFTWLIFEM-UHFFFAOYSA-N 1 0 352.435 2.333 20 5 FEBDRO CS(=O)(=O)[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000895688537 689755518 /nfs/dbraw/zinc/75/55/18/689755518.db2.gz MVXFCLLZSNNOMS-XYPYZODXSA-N 1 0 352.334 2.279 20 5 FEBDRO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896521572 689884518 /nfs/dbraw/zinc/88/45/18/689884518.db2.gz JQEBOYAUJOGGAW-LBPRGKRZSA-N 1 0 371.235 2.418 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CC23CC(O)C3)c([N+](=O)[O-])cc1OCC(F)F ZINC000897848679 690089682 /nfs/dbraw/zinc/08/96/82/690089682.db2.gz PBYMERRHJIKJKD-BHKPVTDMSA-N 1 0 358.341 2.250 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000899932738 690443014 /nfs/dbraw/zinc/44/30/14/690443014.db2.gz XTUJBSGZJWHSHH-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO C[NH+]1CCC(NCc2cn(Cc3cc(Cl)ccc3[N+](=O)[O-])nn2)CC1 ZINC000900568658 690533320 /nfs/dbraw/zinc/53/33/20/690533320.db2.gz DVGRKVDKRWFOEV-UHFFFAOYSA-N 1 0 364.837 2.072 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900581570 690534622 /nfs/dbraw/zinc/53/46/22/690534622.db2.gz ZWDJAWRRGXVCBS-NSHDSACASA-N 1 0 359.785 2.228 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CCOCC1 ZINC000900714491 690551943 /nfs/dbraw/zinc/55/19/43/690551943.db2.gz SNNOKUHVDKXGSU-UHFFFAOYSA-N 1 0 359.785 2.228 20 5 FEBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000900770713 690560275 /nfs/dbraw/zinc/56/02/75/690560275.db2.gz ZNSTYQTYLQJHJM-UHFFFAOYSA-N 1 0 351.403 2.170 20 5 FEBDRO CCC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000903369062 690887821 /nfs/dbraw/zinc/88/78/21/690887821.db2.gz SFGIBFVBSJXFBI-HZPDHXFCSA-N 1 0 356.444 2.229 20 5 FEBDRO C[NH2+]C[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000903529731 690913034 /nfs/dbraw/zinc/91/30/34/690913034.db2.gz UCFOTNCSNUHSCN-AWEZNQCLSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c([N+](=O)[O-])s1 ZINC000905356054 691107900 /nfs/dbraw/zinc/10/79/00/691107900.db2.gz KNUSBKVXEJMUHW-CYBMUJFWSA-N 1 0 373.500 2.363 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC000905593329 691147932 /nfs/dbraw/zinc/14/79/32/691147932.db2.gz GRBRVTPIKDDGBO-HNNXBMFYSA-N 1 0 368.455 2.450 20 5 FEBDRO COc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723588 720351789 /nfs/dbraw/zinc/35/17/89/720351789.db2.gz IBQIALFHBRVSNK-HUUCEWRRSA-N 1 0 355.398 2.247 20 5 FEBDRO C[C@H]1C[C@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@@H+]1Cc1ccccc1 ZINC000511635224 795275624 /nfs/dbraw/zinc/27/56/24/795275624.db2.gz FBWRCMILNGFTCM-ZFWWWQNUSA-N 1 0 356.430 2.102 20 5 FEBDRO C[NH+]1CCC(n2ccc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000491347032 887611683 /nfs/dbraw/zinc/61/16/83/887611683.db2.gz OQBLAGAEFCVSPJ-UHFFFAOYSA-N 1 0 372.429 2.422 20 5 FEBDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800542027 674060968 /nfs/dbraw/zinc/06/09/68/674060968.db2.gz YTUZSRYSFLKDMH-DGCLKSJQSA-N 1 0 361.851 2.056 20 5 FEBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000156027939 545593591 /nfs/dbraw/zinc/59/35/91/545593591.db2.gz ZFZQMTFPQDHNGY-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO COc1cccc([C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000015129024 539612857 /nfs/dbraw/zinc/61/28/57/539612857.db2.gz NXESHYIHGZDPIL-QGZVFWFLSA-N 1 0 358.398 2.417 20 5 FEBDRO C[NH+](C)CCNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000015206867 539613603 /nfs/dbraw/zinc/61/36/03/539613603.db2.gz QBEVPDOKBLHVLN-UHFFFAOYSA-N 1 0 370.475 2.133 20 5 FEBDRO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026321676 539783081 /nfs/dbraw/zinc/78/30/81/539783081.db2.gz KYHUFTBUIIMYFJ-QGZVFWFLSA-N 1 0 374.393 2.253 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccccc1 ZINC000029167199 539845620 /nfs/dbraw/zinc/84/56/20/539845620.db2.gz RGJDWPHWHSKVOA-INIZCTEOSA-N 1 0 358.398 2.096 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1cccc(OC)c1 ZINC000076267514 542251837 /nfs/dbraw/zinc/25/18/37/542251837.db2.gz MPILJTWLBXKRDJ-CQSZACIVSA-N 1 0 360.418 2.471 20 5 FEBDRO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000041322023 540017341 /nfs/dbraw/zinc/01/73/41/540017341.db2.gz QWDQYABOBWLZOT-GFCCVEGCSA-N 1 0 370.837 2.279 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+](C(C)C)C(C)C ZINC000042986231 540084750 /nfs/dbraw/zinc/08/47/50/540084750.db2.gz APDPMEWCWNRYEX-UHFFFAOYSA-N 1 0 359.448 2.001 20 5 FEBDRO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000043893433 540114791 /nfs/dbraw/zinc/11/47/91/540114791.db2.gz PNIVWPGEZWNRKA-GJZGRUSLSA-N 1 0 363.462 2.426 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000044986122 540145723 /nfs/dbraw/zinc/14/57/23/540145723.db2.gz DUGNVICEYLEIDL-UHFFFAOYSA-N 1 0 357.414 2.383 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000047147709 540292729 /nfs/dbraw/zinc/29/27/29/540292729.db2.gz CZWDWTZSRFOLML-CQSZACIVSA-N 1 0 357.414 2.242 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000047543714 540317530 /nfs/dbraw/zinc/31/75/30/540317530.db2.gz ARLIOYZSSKWQOH-UHFFFAOYSA-N 1 0 359.835 2.153 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305695 540462129 /nfs/dbraw/zinc/46/21/29/540462129.db2.gz QZHIOIPQTUMFNI-STQMWFEESA-N 1 0 370.475 2.022 20 5 FEBDRO CCOc1cc(C(=O)NCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000053288076 540523920 /nfs/dbraw/zinc/52/39/20/540523920.db2.gz YFGUJGXMQMBSJW-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO C[N@H+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054762517 540607632 /nfs/dbraw/zinc/60/76/32/540607632.db2.gz YSQJSGWUIPNQKT-UHFFFAOYSA-N 1 0 371.441 2.438 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000055281594 540643384 /nfs/dbraw/zinc/64/33/84/540643384.db2.gz GVVIPSPBNUTFFO-CYBMUJFWSA-N 1 0 355.460 2.304 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000055298205 540645244 /nfs/dbraw/zinc/64/52/44/540645244.db2.gz ADZZHNZSUDDZHE-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO CC[NH+]1CCC(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000063665974 541177961 /nfs/dbraw/zinc/17/79/61/541177961.db2.gz VQIVNUMXBMTLCW-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000063711035 541180764 /nfs/dbraw/zinc/18/07/64/541180764.db2.gz KMVRXPDXPOEATO-CYBMUJFWSA-N 1 0 353.394 2.349 20 5 FEBDRO Cn1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065088351 541225375 /nfs/dbraw/zinc/22/53/75/541225375.db2.gz LZYGPJWZGLBVHZ-INIZCTEOSA-N 1 0 357.414 2.065 20 5 FEBDRO CC(C)[NH+](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(C)C ZINC000067123828 541420579 /nfs/dbraw/zinc/42/05/79/541420579.db2.gz YISRWXYJWYTCPU-UHFFFAOYSA-N 1 0 360.418 2.024 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067202403 541432045 /nfs/dbraw/zinc/43/20/45/541432045.db2.gz IKSPISNRZYCDPT-INIZCTEOSA-N 1 0 363.462 2.342 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000067429488 541463129 /nfs/dbraw/zinc/46/31/29/541463129.db2.gz BUUJIZBXUYQWFQ-HUUCEWRRSA-N 1 0 353.444 2.062 20 5 FEBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067439603 541464764 /nfs/dbraw/zinc/46/47/64/541464764.db2.gz SQVGWZRVZWRNSY-HZSPNIEDSA-N 1 0 362.430 2.016 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000069138943 541662007 /nfs/dbraw/zinc/66/20/07/541662007.db2.gz CYKLBNOEJKZXIQ-LBPRGKRZSA-N 1 0 351.403 2.074 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C)CC2)cc1OC ZINC000071016628 541758534 /nfs/dbraw/zinc/75/85/34/541758534.db2.gz UORAOWMAKQMNKH-UHFFFAOYSA-N 1 0 351.403 2.168 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000072810511 541871002 /nfs/dbraw/zinc/87/10/02/541871002.db2.gz QFVROIGVUOQNTJ-CVEARBPZSA-N 1 0 363.462 2.294 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630614 542193345 /nfs/dbraw/zinc/19/33/45/542193345.db2.gz URBFCGGJTXAITK-KRWDZBQOSA-N 1 0 371.441 2.443 20 5 FEBDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749962 542202290 /nfs/dbraw/zinc/20/22/90/542202290.db2.gz LPBXRMLLINYBCB-LRDDRELGSA-N 1 0 352.822 2.369 20 5 FEBDRO Cc1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000075777549 542202880 /nfs/dbraw/zinc/20/28/80/542202880.db2.gz FHHAUBRVPPXNAY-LJQANCHMSA-N 1 0 355.438 2.412 20 5 FEBDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000801572556 674136814 /nfs/dbraw/zinc/13/68/14/674136814.db2.gz JOVMFPDBJNRYNP-INIZCTEOSA-N 1 0 353.423 2.028 20 5 FEBDRO CC(C)C(C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000551535931 674149424 /nfs/dbraw/zinc/14/94/24/674149424.db2.gz DFVHKUAQAKUVIN-UHFFFAOYSA-N 1 0 357.476 2.391 20 5 FEBDRO CC[NH+]1CCN(c2ccc(CNc3ncc(C)cc3[N+](=O)[O-])cn2)CC1 ZINC000078631492 542473144 /nfs/dbraw/zinc/47/31/44/542473144.db2.gz ATLWDSKAUYPHRK-UHFFFAOYSA-N 1 0 356.430 2.447 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000079709685 542538252 /nfs/dbraw/zinc/53/82/52/542538252.db2.gz ILVQLWMDQJOWBY-DOTOQJQBSA-N 1 0 371.441 2.351 20 5 FEBDRO CN(CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000080630317 542598950 /nfs/dbraw/zinc/59/89/50/542598950.db2.gz SNLUURPQGWNGSW-INIZCTEOSA-N 1 0 360.458 2.365 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000081334846 542649653 /nfs/dbraw/zinc/64/96/53/542649653.db2.gz YZGPXMRACVPRAB-CYBMUJFWSA-N 1 0 353.394 2.303 20 5 FEBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081532694 542662941 /nfs/dbraw/zinc/66/29/41/542662941.db2.gz GCIRGDBINDDDCJ-SFHVURJKSA-N 1 0 368.437 2.400 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083424375 542697281 /nfs/dbraw/zinc/69/72/81/542697281.db2.gz VUEFREIXWYVZDY-UHFFFAOYSA-N 1 0 358.402 2.230 20 5 FEBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[NH+]2CCCC2)o1 ZINC000101678678 543041339 /nfs/dbraw/zinc/04/13/39/543041339.db2.gz KPERUALHOYODFM-AWEZNQCLSA-N 1 0 360.370 2.164 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000102410355 543069249 /nfs/dbraw/zinc/06/92/49/543069249.db2.gz DULGROOUKHETRG-CQSZACIVSA-N 1 0 373.413 2.466 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000106479602 543231513 /nfs/dbraw/zinc/23/15/13/543231513.db2.gz JQZXZPVFCWFLKZ-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000106479589 543231660 /nfs/dbraw/zinc/23/16/60/543231660.db2.gz ZZRFOWVIODHPLP-KRWDZBQOSA-N 1 0 355.442 2.359 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891934 543252775 /nfs/dbraw/zinc/25/27/75/543252775.db2.gz CUCHOAJESUUAKE-ZDUSSCGKSA-N 1 0 353.444 2.198 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000108403685 543288714 /nfs/dbraw/zinc/28/87/14/543288714.db2.gz YHVKLNNYEAADPK-LLVKDONJSA-N 1 0 359.835 2.011 20 5 FEBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108781678 543302684 /nfs/dbraw/zinc/30/26/84/543302684.db2.gz DLQNWOICJAJOAL-LBPRGKRZSA-N 1 0 362.386 2.334 20 5 FEBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000109719666 543335400 /nfs/dbraw/zinc/33/54/00/543335400.db2.gz FYKDLDRQZYNOHW-UHFFFAOYSA-N 1 0 370.409 2.381 20 5 FEBDRO CC1(C)CC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC(C)(C)[NH2+]1 ZINC000111548014 543406821 /nfs/dbraw/zinc/40/68/21/543406821.db2.gz XJQUCAVPDUFUTB-UHFFFAOYSA-N 1 0 372.425 2.475 20 5 FEBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112079470 543429874 /nfs/dbraw/zinc/42/98/74/543429874.db2.gz SCVYYRFLUHZKCV-ZDUSSCGKSA-N 1 0 357.414 2.142 20 5 FEBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247477952 549339788 /nfs/dbraw/zinc/33/97/88/549339788.db2.gz JWACMHMLHUDELQ-HRCADAONSA-N 1 0 354.451 2.068 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[NH+](C2CCCC2)CC1 ZINC000117334923 543629771 /nfs/dbraw/zinc/62/97/71/543629771.db2.gz GHFYKGALPLKFEZ-UHFFFAOYSA-N 1 0 374.441 2.453 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000117748764 543639668 /nfs/dbraw/zinc/63/96/68/543639668.db2.gz AJAFTOJEJCPSRG-BETUJISGSA-N 1 0 369.849 2.406 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000118100251 543644231 /nfs/dbraw/zinc/64/42/31/543644231.db2.gz MQNLTVUSBAYECH-UHFFFAOYSA-N 1 0 362.430 2.222 20 5 FEBDRO Cc1cc(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000123187113 543747523 /nfs/dbraw/zinc/74/75/23/543747523.db2.gz KSIGKVJHKBUCDK-UHFFFAOYSA-N 1 0 360.458 2.003 20 5 FEBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716756 543779050 /nfs/dbraw/zinc/77/90/50/543779050.db2.gz WNOGLJFNWWAWGF-WBVHZDCISA-N 1 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Nc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126828244 543958474 /nfs/dbraw/zinc/95/84/74/543958474.db2.gz BTPRUOJLRQYYHI-NHYWBVRUSA-N 1 0 362.405 2.405 20 5 FEBDRO CC[NH+](CC)[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)CC(C)C ZINC000127661984 544006880 /nfs/dbraw/zinc/00/68/80/544006880.db2.gz HUSOUZCQHBBSJD-AWEZNQCLSA-N 1 0 372.491 2.411 20 5 FEBDRO COCCOC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128663496 544066001 /nfs/dbraw/zinc/06/60/01/544066001.db2.gz WYGZVKIKHBSTDF-UHFFFAOYSA-N 1 0 369.393 2.190 20 5 FEBDRO Cc1c(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000130466200 544152223 /nfs/dbraw/zinc/15/22/23/544152223.db2.gz IXEPRHVPTBTEDE-INIZCTEOSA-N 1 0 360.458 2.032 20 5 FEBDRO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130736716 544162827 /nfs/dbraw/zinc/16/28/27/544162827.db2.gz DQIUNIFZSUTTRB-UHFFFAOYSA-N 1 0 372.425 2.424 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000132382994 544229393 /nfs/dbraw/zinc/22/93/93/544229393.db2.gz UTXQLSGXZMHJNQ-LJQANCHMSA-N 1 0 355.394 2.265 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134929766 544327399 /nfs/dbraw/zinc/32/73/99/544327399.db2.gz OGJIFNOXAGXFSA-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000134927815 544327477 /nfs/dbraw/zinc/32/74/77/544327477.db2.gz GPKJZYKTJWUSDW-MRXNPFEDSA-N 1 0 368.865 2.250 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000137055954 544384142 /nfs/dbraw/zinc/38/41/42/544384142.db2.gz FRMUDUOCDKNRQB-HOCLYGCPSA-N 1 0 357.414 2.046 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000151627431 544563835 /nfs/dbraw/zinc/56/38/35/544563835.db2.gz AYRXABLXEYSWMN-CQSZACIVSA-N 1 0 353.444 2.010 20 5 FEBDRO CCOc1ccc(NC(=O)CN(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152509754 544663305 /nfs/dbraw/zinc/66/33/05/544663305.db2.gz ZVHXDMXLYUFWJN-AWEZNQCLSA-N 1 0 364.446 2.206 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000153942770 544843476 /nfs/dbraw/zinc/84/34/76/544843476.db2.gz YIETZHSOWMXRTK-KBXCAEBGSA-N 1 0 359.426 2.449 20 5 FEBDRO CN(CC(=O)OCCC[NH+](C)C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803723629 674255990 /nfs/dbraw/zinc/25/59/90/674255990.db2.gz KWBBMZCCWYKUSU-UHFFFAOYSA-N 1 0 374.235 2.288 20 5 FEBDRO C[C@H]1CCCC[C@@]1(C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000178979179 327619560 /nfs/dbraw/zinc/61/95/60/327619560.db2.gz VVTPSQYFNIDWQL-HZMBPMFUSA-N 1 0 361.851 2.434 20 5 FEBDRO C[C@H]([NH2+][C@H](CC(N)=O)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000182064094 327759180 /nfs/dbraw/zinc/75/91/80/327759180.db2.gz HDQPMJDLCMVUGR-BLLLJJGKSA-N 1 0 362.430 2.336 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000183354258 327813164 /nfs/dbraw/zinc/81/31/64/327813164.db2.gz VQESRUHGGHDZLJ-UHFFFAOYSA-N 1 0 361.851 2.271 20 5 FEBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000183556334 327824196 /nfs/dbraw/zinc/82/41/96/327824196.db2.gz RSHNIQSTRNJCDI-KRWDZBQOSA-N 1 0 367.471 2.027 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1 ZINC000183642748 327828075 /nfs/dbraw/zinc/82/80/75/327828075.db2.gz RLSFCHVCBMEOPV-UHFFFAOYSA-N 1 0 369.487 2.443 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183712053 327831480 /nfs/dbraw/zinc/83/14/80/327831480.db2.gz LXZBGWDERXLATD-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO C[NH+](C)CCCC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184782455 327883001 /nfs/dbraw/zinc/88/30/01/327883001.db2.gz LGVYFTUSANPXQJ-UHFFFAOYSA-N 1 0 369.487 2.478 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000804463802 674288356 /nfs/dbraw/zinc/28/83/56/674288356.db2.gz JFYUTZNZBFNPBX-LBPRGKRZSA-N 1 0 350.375 2.416 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000185773962 327932505 /nfs/dbraw/zinc/93/25/05/327932505.db2.gz KEYITQBPQVZLAA-OAHLLOKOSA-N 1 0 353.444 2.234 20 5 FEBDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000185790344 327932926 /nfs/dbraw/zinc/93/29/26/327932926.db2.gz GPJSQAYJDXHDPH-HNNXBMFYSA-N 1 0 373.413 2.316 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000186289263 327955540 /nfs/dbraw/zinc/95/55/40/327955540.db2.gz SJIRELDFWDUVGH-ZDUSSCGKSA-N 1 0 351.451 2.179 20 5 FEBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187084983 328001165 /nfs/dbraw/zinc/00/11/65/328001165.db2.gz LUCQVCVVPYEVEQ-GFCCVEGCSA-N 1 0 350.419 2.326 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187357277 328019335 /nfs/dbraw/zinc/01/93/35/328019335.db2.gz SWXYXEGXXWMOLI-OAHLLOKOSA-N 1 0 352.431 2.352 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000188109589 328066509 /nfs/dbraw/zinc/06/65/09/328066509.db2.gz AWEOXSLGXOXAIZ-UHFFFAOYSA-N 1 0 372.429 2.124 20 5 FEBDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188118725 328067237 /nfs/dbraw/zinc/06/72/37/328067237.db2.gz FDVQRFNMMUADAG-FQEVSTJZSA-N 1 0 369.421 2.304 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000188255258 328076010 /nfs/dbraw/zinc/07/60/10/328076010.db2.gz PSBZPQKHIZHGJL-UHFFFAOYSA-N 1 0 355.460 2.400 20 5 FEBDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188278365 328077477 /nfs/dbraw/zinc/07/74/77/328077477.db2.gz VEIPOHZMUFQQIG-UHFFFAOYSA-N 1 0 362.361 2.039 20 5 FEBDRO CS(=O)(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189074802 328127185 /nfs/dbraw/zinc/12/71/85/328127185.db2.gz SNYHXXZIMBVOGH-CYBMUJFWSA-N 1 0 353.444 2.063 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000189127874 328129985 /nfs/dbraw/zinc/12/99/85/328129985.db2.gz AJZHEILZSXTBNO-ZDUSSCGKSA-N 1 0 355.460 2.364 20 5 FEBDRO CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000189139962 328130849 /nfs/dbraw/zinc/13/08/49/328130849.db2.gz GQHYMMPUUBKXOW-UHFFFAOYSA-N 1 0 361.851 2.353 20 5 FEBDRO COC(=O)c1cnc(NCC[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000189339399 328141816 /nfs/dbraw/zinc/14/18/16/328141816.db2.gz CNZXRBBZQPRXPO-UHFFFAOYSA-N 1 0 362.361 2.459 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000189442842 328148521 /nfs/dbraw/zinc/14/85/21/328148521.db2.gz RQTXIDLABLVWRB-CYBMUJFWSA-N 1 0 354.426 2.428 20 5 FEBDRO CC[C@@](C)(O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000189717660 328163941 /nfs/dbraw/zinc/16/39/41/328163941.db2.gz KUZYVNCNVQLLRH-LJQANCHMSA-N 1 0 359.426 2.420 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCN(C)c3cc[nH+]cc32)c1[N+](=O)[O-] ZINC000191776638 328281155 /nfs/dbraw/zinc/28/11/55/328281155.db2.gz RTUYQMJGFYCYOG-UHFFFAOYSA-N 1 0 362.411 2.252 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000191975608 328291279 /nfs/dbraw/zinc/29/12/79/328291279.db2.gz RNCVIKSNHOKDSQ-CQSZACIVSA-N 1 0 355.460 2.174 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000193293347 328367251 /nfs/dbraw/zinc/36/72/51/328367251.db2.gz NPDQSWRXNRGWFH-MNOVXSKESA-N 1 0 361.851 2.352 20 5 FEBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000193394018 328372489 /nfs/dbraw/zinc/37/24/89/328372489.db2.gz ZTSHZFGJDVWOBH-UHFFFAOYSA-N 1 0 362.352 2.268 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193583480 328383523 /nfs/dbraw/zinc/38/35/23/328383523.db2.gz DIMFEYNWFSOPRS-KGLIPLIRSA-N 1 0 362.430 2.422 20 5 FEBDRO CC1CC[NH+]([C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000194608381 328432084 /nfs/dbraw/zinc/43/20/84/328432084.db2.gz XJRHTTFSMHHGEV-SFHVURJKSA-N 1 0 371.441 2.381 20 5 FEBDRO Cc1ccc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000008060071 324360783 /nfs/dbraw/zinc/36/07/83/324360783.db2.gz HVTKOCAVNQITBD-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000022474527 324398329 /nfs/dbraw/zinc/39/83/29/324398329.db2.gz VMJKIRARDGUWGI-UHFFFAOYSA-N 1 0 370.413 2.063 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000026854328 324428577 /nfs/dbraw/zinc/42/85/77/324428577.db2.gz GUOGLBYLROWIRK-UHFFFAOYSA-N 1 0 363.439 2.443 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195343305 328473111 /nfs/dbraw/zinc/47/31/11/328473111.db2.gz JBWDDDVHQHTYQP-UHFFFAOYSA-N 1 0 371.441 2.402 20 5 FEBDRO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195508753 328480819 /nfs/dbraw/zinc/48/08/19/328480819.db2.gz WSLHLBKKQMOXTO-UHFFFAOYSA-N 1 0 369.491 2.116 20 5 FEBDRO CCCN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000236833139 328495886 /nfs/dbraw/zinc/49/58/86/328495886.db2.gz ZUSDPMXWPVFHSC-UHFFFAOYSA-N 1 0 358.398 2.041 20 5 FEBDRO O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1[N+](=O)[O-] ZINC000080922318 325147242 /nfs/dbraw/zinc/14/72/42/325147242.db2.gz MVIBNOVONYMDAY-UHFFFAOYSA-N 1 0 369.421 2.482 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000083028690 325211312 /nfs/dbraw/zinc/21/13/12/325211312.db2.gz TYMGRJAVNBZEHR-OKILXGFUSA-N 1 0 365.430 2.223 20 5 FEBDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087357045 325280596 /nfs/dbraw/zinc/28/05/96/325280596.db2.gz KKLCIPVPOJLJQD-UHFFFAOYSA-N 1 0 358.236 2.356 20 5 FEBDRO C[NH+]1CCC(CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000102640346 325496016 /nfs/dbraw/zinc/49/60/16/325496016.db2.gz XFWWMIDIOSZGPG-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000104080307 325532545 /nfs/dbraw/zinc/53/25/45/325532545.db2.gz VMHZXPYHUWOSOC-UHFFFAOYSA-N 1 0 362.430 2.102 20 5 FEBDRO O=C(CN1CCC([NH2+]C2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000111301562 325714078 /nfs/dbraw/zinc/71/40/78/325714078.db2.gz VTRGYTQDBSQNSS-UHFFFAOYSA-N 1 0 372.469 2.481 20 5 FEBDRO COc1cc(C[NH2+]CC[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000114771387 325920796 /nfs/dbraw/zinc/92/07/96/325920796.db2.gz ZJSXJVXQMNJSRF-SECBINFHSA-N 1 0 352.309 2.405 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000116651557 326028647 /nfs/dbraw/zinc/02/86/47/326028647.db2.gz WNFSFKCCUKOJDJ-QGZVFWFLSA-N 1 0 373.457 2.087 20 5 FEBDRO CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000118099135 326081464 /nfs/dbraw/zinc/08/14/64/326081464.db2.gz UECLLRINUOGLRT-MRXNPFEDSA-N 1 0 364.446 2.324 20 5 FEBDRO C[N@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000118132023 326084727 /nfs/dbraw/zinc/08/47/27/326084727.db2.gz ZRRNTVDIAINEJB-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843823 326107318 /nfs/dbraw/zinc/10/73/18/326107318.db2.gz OJOGLGULLPDYFY-UONOGXRCSA-N 1 0 364.446 2.204 20 5 FEBDRO COc1ccc(NC(=O)C[N@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120549739 326267828 /nfs/dbraw/zinc/26/78/28/326267828.db2.gz BWIUWKLRJFZRNY-UHFFFAOYSA-N 1 0 351.403 2.290 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120590283 326270558 /nfs/dbraw/zinc/27/05/58/326270558.db2.gz LAAZDWFUOXGMBF-HNNXBMFYSA-N 1 0 374.441 2.319 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000120965867 326303064 /nfs/dbraw/zinc/30/30/64/326303064.db2.gz XESFSNYZTURRJQ-ZDUSSCGKSA-N 1 0 362.430 2.141 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000121402382 326335941 /nfs/dbraw/zinc/33/59/41/326335941.db2.gz PPYVAHUZYPENHH-NSHDSACASA-N 1 0 354.363 2.373 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000121500449 326343379 /nfs/dbraw/zinc/34/33/79/326343379.db2.gz WSNYVWZLSOCEQU-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO C[NH+](C)CCOc1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000124152147 326448601 /nfs/dbraw/zinc/44/86/01/326448601.db2.gz GIIHSWZOXYTJBN-VMPITWQZSA-N 1 0 370.409 2.260 20 5 FEBDRO CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000125091327 326465009 /nfs/dbraw/zinc/46/50/09/326465009.db2.gz QOZWHNKOPFDPLT-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000126213875 326485070 /nfs/dbraw/zinc/48/50/70/326485070.db2.gz GKJYKSOJOPIMIX-OAHLLOKOSA-N 1 0 351.451 2.117 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000126775246 326494965 /nfs/dbraw/zinc/49/49/65/326494965.db2.gz YYHKCNZTCZFBAS-MRXNPFEDSA-N 1 0 373.409 2.457 20 5 FEBDRO C[NH+](C)C[C@H](O)COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000126832356 326495901 /nfs/dbraw/zinc/49/59/01/326495901.db2.gz WMQPCSBACOLTKN-KRWDZBQOSA-N 1 0 373.409 2.077 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000128461300 326524072 /nfs/dbraw/zinc/52/40/72/326524072.db2.gz UCHBLUHLKUXRSN-IAGOWNOFSA-N 1 0 371.441 2.456 20 5 FEBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000131261941 326571321 /nfs/dbraw/zinc/57/13/21/326571321.db2.gz QHLDMSNMYTYUMB-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000131292816 326572088 /nfs/dbraw/zinc/57/20/88/326572088.db2.gz WVJBOJUBRWQAFQ-OAHLLOKOSA-N 1 0 352.354 2.440 20 5 FEBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000131313292 326572440 /nfs/dbraw/zinc/57/24/40/326572440.db2.gz QYCMHZNKDAJQPT-XHVZSJERSA-N 1 0 368.821 2.209 20 5 FEBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000136971685 326656906 /nfs/dbraw/zinc/65/69/06/326656906.db2.gz KYHUCZFUKNEQEF-LBPRGKRZSA-N 1 0 367.833 2.479 20 5 FEBDRO COCC[NH+]1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000138544436 326662765 /nfs/dbraw/zinc/66/27/65/326662765.db2.gz VZZZJGQMIWNZDX-UHFFFAOYSA-N 1 0 362.430 2.010 20 5 FEBDRO COc1cc(C(=O)NCC[NH2+]C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000153894494 326745702 /nfs/dbraw/zinc/74/57/02/326745702.db2.gz GXRXZZIARALJNF-UHFFFAOYSA-N 1 0 361.345 2.323 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000154302618 326756449 /nfs/dbraw/zinc/75/64/49/326756449.db2.gz ROBMLLFHXURSPJ-GFCCVEGCSA-N 1 0 359.423 2.147 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000159721124 326940002 /nfs/dbraw/zinc/94/00/02/326940002.db2.gz KWDBGLYNLUGCHF-IBGZPJMESA-N 1 0 357.410 2.202 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000162723887 327033045 /nfs/dbraw/zinc/03/30/45/327033045.db2.gz JOESIMHDLACJPM-HIFRSBDPSA-N 1 0 357.414 2.443 20 5 FEBDRO Cc1c(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000162891089 327037176 /nfs/dbraw/zinc/03/71/76/327037176.db2.gz WNHLPNHXENQNEP-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000170644868 327090358 /nfs/dbraw/zinc/09/03/58/327090358.db2.gz VKTHPDJNHHSTDG-LJQANCHMSA-N 1 0 370.409 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000171692730 327155513 /nfs/dbraw/zinc/15/55/13/327155513.db2.gz IFFKZXNSTQMAIT-UHFFFAOYSA-N 1 0 350.419 2.004 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000171797929 327162067 /nfs/dbraw/zinc/16/20/67/327162067.db2.gz MFHSOHFUWRBBDJ-UHFFFAOYSA-N 1 0 372.425 2.287 20 5 FEBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173247313 327243810 /nfs/dbraw/zinc/24/38/10/327243810.db2.gz WUCDAOJAAKNXIH-JQWIXIFHSA-N 1 0 361.851 2.209 20 5 FEBDRO C[NH+](C)CCOc1ccccc1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173323688 327250001 /nfs/dbraw/zinc/25/00/01/327250001.db2.gz ONCOKJLZORQEQW-UHFFFAOYSA-N 1 0 357.410 2.394 20 5 FEBDRO C[C@@H](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000173590652 327269406 /nfs/dbraw/zinc/26/94/06/327269406.db2.gz GLWDCADGXDMGCM-HNNXBMFYSA-N 1 0 359.430 2.208 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000173671346 327275534 /nfs/dbraw/zinc/27/55/34/327275534.db2.gz QOJUJTYHZOXBDY-CQSZACIVSA-N 1 0 355.460 2.398 20 5 FEBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173829236 327287058 /nfs/dbraw/zinc/28/70/58/327287058.db2.gz INVPGAXPUYAYOQ-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173925649 327294855 /nfs/dbraw/zinc/29/48/55/327294855.db2.gz VQFVDXNYGKVEBY-LBPRGKRZSA-N 1 0 359.423 2.086 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc([N+](=O)[O-])c1 ZINC000174172992 327310477 /nfs/dbraw/zinc/31/04/77/327310477.db2.gz CCPQABUITUEQKE-OAHLLOKOSA-N 1 0 363.414 2.328 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174175241 327310640 /nfs/dbraw/zinc/31/06/40/327310640.db2.gz BOHOKPAOXTUIDA-GFCCVEGCSA-N 1 0 351.403 2.168 20 5 FEBDRO Cn1cc(C[NH2+]CCCNC(=O)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176986961 327489025 /nfs/dbraw/zinc/48/90/25/327489025.db2.gz ZFVBSCHTWOHLGI-UHFFFAOYSA-N 1 0 371.441 2.391 20 5 FEBDRO C[NH+](C)C1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000177720335 327540149 /nfs/dbraw/zinc/54/01/49/327540149.db2.gz WLRATKCCYMJINU-UHFFFAOYSA-N 1 0 354.838 2.004 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1csc([N+](=O)[O-])c1 ZINC000178132643 327567052 /nfs/dbraw/zinc/56/70/52/327567052.db2.gz JIQZTURSFHBOHJ-KGLIPLIRSA-N 1 0 353.444 2.154 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261891291 328827368 /nfs/dbraw/zinc/82/73/68/328827368.db2.gz NVDHHDODOMSMAH-CQSZACIVSA-N 1 0 361.851 2.225 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264582459 329037688 /nfs/dbraw/zinc/03/76/88/329037688.db2.gz JWSPXNRKVGKUAO-OAHLLOKOSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716655 329052320 /nfs/dbraw/zinc/05/23/20/329052320.db2.gz HEDMNHWCLDSYCV-INIZCTEOSA-N 1 0 356.430 2.018 20 5 FEBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCCC[NH+]1CCCCC1 ZINC000264779818 329059730 /nfs/dbraw/zinc/05/97/30/329059730.db2.gz QSWIYYMOEOLXGV-UHFFFAOYSA-N 1 0 370.475 2.310 20 5 FEBDRO CN1CC[N@H+](C)C[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968911 329079430 /nfs/dbraw/zinc/07/94/30/329079430.db2.gz QDVDTGOXJDNAIN-INIZCTEOSA-N 1 0 361.471 2.054 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000265000833 329082208 /nfs/dbraw/zinc/08/22/08/329082208.db2.gz IPGNIMIFPMLAJH-UHFFFAOYSA-N 1 0 353.444 2.157 20 5 FEBDRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000265148258 329096459 /nfs/dbraw/zinc/09/64/59/329096459.db2.gz SDEYCJMIDRKQPB-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000265996226 329180025 /nfs/dbraw/zinc/18/00/25/329180025.db2.gz NNOGVCYCESXVGK-OCCSQVGLSA-N 1 0 365.430 2.414 20 5 FEBDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000266864748 329266954 /nfs/dbraw/zinc/26/69/54/329266954.db2.gz LXMMODGKLJRKJC-WFASDCNBSA-N 1 0 360.366 2.414 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267479888 329331859 /nfs/dbraw/zinc/33/18/59/329331859.db2.gz UYFCITZMXVVAKW-BBRMVZONSA-N 1 0 371.441 2.277 20 5 FEBDRO C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000268021496 329377718 /nfs/dbraw/zinc/37/77/18/329377718.db2.gz BPJDMGXAHOUOMC-UHFFFAOYSA-N 1 0 367.427 2.081 20 5 FEBDRO CCOC(=O)c1cc(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000268129515 329388196 /nfs/dbraw/zinc/38/81/96/329388196.db2.gz ADJWXRYDUHFIKT-UHFFFAOYSA-N 1 0 351.403 2.294 20 5 FEBDRO CCC(CC)(C[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000270782744 329631309 /nfs/dbraw/zinc/63/13/09/329631309.db2.gz HXTQLMOJWUXPOE-UHFFFAOYSA-N 1 0 367.402 2.111 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN(C)S(=O)(=O)CC)cc1[N+](=O)[O-] ZINC000271181263 329670198 /nfs/dbraw/zinc/67/01/98/329670198.db2.gz VYGYKUNUQIWINY-CYBMUJFWSA-N 1 0 373.475 2.316 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1[NH+](C)C ZINC000271218370 329674232 /nfs/dbraw/zinc/67/42/32/329674232.db2.gz ZLAQWWLQGRCHRM-HZPDHXFCSA-N 1 0 362.455 2.123 20 5 FEBDRO COc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1[N+](=O)[O-] ZINC000272827469 329815709 /nfs/dbraw/zinc/81/57/09/329815709.db2.gz MEPSFTQXRFHRAV-OAHLLOKOSA-N 1 0 354.432 2.162 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]12 ZINC000273370766 329859494 /nfs/dbraw/zinc/85/94/94/329859494.db2.gz CPOMMEJPQQNDEP-JFUSQASVSA-N 1 0 354.204 2.167 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CC2CCOCC2)CC1 ZINC000273469770 329867357 /nfs/dbraw/zinc/86/73/57/329867357.db2.gz OGJSBVBJXBEQAN-UHFFFAOYSA-N 1 0 366.393 2.310 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000273486768 329868716 /nfs/dbraw/zinc/86/87/16/329868716.db2.gz VWCSSUWENFWGTJ-HZPDHXFCSA-N 1 0 368.455 2.306 20 5 FEBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275122248 330012614 /nfs/dbraw/zinc/01/26/14/330012614.db2.gz JXFUHDXCCMBBQZ-GMSGAONNSA-N 1 0 360.183 2.224 20 5 FEBDRO Cn1ccnc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275832773 330094043 /nfs/dbraw/zinc/09/40/43/330094043.db2.gz WYAUQTWJHVMQHI-INIZCTEOSA-N 1 0 369.425 2.113 20 5 FEBDRO Cn1ccnc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275832780 330094242 /nfs/dbraw/zinc/09/42/42/330094242.db2.gz WYAUQTWJHVMQHI-MRXNPFEDSA-N 1 0 369.425 2.113 20 5 FEBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1(C)C ZINC000275860476 330097366 /nfs/dbraw/zinc/09/73/66/330097366.db2.gz TZZJWGJUFXKNOO-QAPCUYQASA-N 1 0 366.414 2.117 20 5 FEBDRO C[NH+](C)C1(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000279076899 330173201 /nfs/dbraw/zinc/17/32/01/330173201.db2.gz DQNHNQRKPXLBRB-UHFFFAOYSA-N 1 0 373.812 2.157 20 5 FEBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000281823259 330177207 /nfs/dbraw/zinc/17/72/07/330177207.db2.gz ULAKOYMGVNZJMO-DLBZAZTESA-N 1 0 354.410 2.228 20 5 FEBDRO Cn1cc([C@@H](O)C[C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461428 330245011 /nfs/dbraw/zinc/24/50/11/330245011.db2.gz XWFNYAWNDVZEAF-QAPCUYQASA-N 1 0 360.414 2.295 20 5 FEBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000155727235 545561831 /nfs/dbraw/zinc/56/18/31/545561831.db2.gz SCJQXZOTZQCDSD-UHFFFAOYSA-N 1 0 374.372 2.076 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000157143516 545705293 /nfs/dbraw/zinc/70/52/93/545705293.db2.gz FVQRLELZEMMXQZ-MRXNPFEDSA-N 1 0 359.430 2.170 20 5 FEBDRO O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000157405638 545736598 /nfs/dbraw/zinc/73/65/98/545736598.db2.gz HBQDPFQHOZDFNJ-KRWDZBQOSA-N 1 0 372.469 2.434 20 5 FEBDRO O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000157405796 545737001 /nfs/dbraw/zinc/73/70/01/545737001.db2.gz HBQDPFQHOZDFNJ-QGZVFWFLSA-N 1 0 372.469 2.434 20 5 FEBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157735073 545774746 /nfs/dbraw/zinc/77/47/46/545774746.db2.gz NNJIRRLODZIWLL-CVEARBPZSA-N 1 0 369.425 2.445 20 5 FEBDRO CC(C)=CCCNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000477952812 561156934 /nfs/dbraw/zinc/15/69/34/561156934.db2.gz XYQOOKATLOFNKO-UHFFFAOYSA-N 1 0 370.475 2.203 20 5 FEBDRO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478221527 561162457 /nfs/dbraw/zinc/16/24/57/561162457.db2.gz BOIUUJUJCBZRQX-UHFFFAOYSA-N 1 0 374.416 2.315 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159071674 545919150 /nfs/dbraw/zinc/91/91/50/545919150.db2.gz UVZBLSHWMZIZQD-OAHLLOKOSA-N 1 0 368.231 2.112 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159444301 545953817 /nfs/dbraw/zinc/95/38/17/545953817.db2.gz KSVRFLVIDRCWRI-WFASDCNBSA-N 1 0 351.403 2.025 20 5 FEBDRO Cc1c(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000478412917 561166282 /nfs/dbraw/zinc/16/62/82/561166282.db2.gz AATQNBUTCWNYQJ-INIZCTEOSA-N 1 0 364.446 2.059 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000162735082 546141282 /nfs/dbraw/zinc/14/12/82/546141282.db2.gz PMCAVUOVOJCLJO-ZJUUUORDSA-N 1 0 372.219 2.310 20 5 FEBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000172100703 546237140 /nfs/dbraw/zinc/23/71/40/546237140.db2.gz NRBRRJRJCJWRGB-OAHLLOKOSA-N 1 0 369.849 2.264 20 5 FEBDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000479543509 561191759 /nfs/dbraw/zinc/19/17/59/561191759.db2.gz KRMKWPMCBYAJIX-WMLDXEAASA-N 1 0 367.471 2.455 20 5 FEBDRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+]1CCCCCC1 ZINC000173683540 546285494 /nfs/dbraw/zinc/28/54/94/546285494.db2.gz YGYMLBXZSLVTKL-HUUCEWRRSA-N 1 0 361.446 2.267 20 5 FEBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000176899803 546503827 /nfs/dbraw/zinc/50/38/27/546503827.db2.gz XTPAKDFKUNAYRJ-GFCCVEGCSA-N 1 0 355.460 2.403 20 5 FEBDRO C[NH+](C)C1(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000480616405 561213092 /nfs/dbraw/zinc/21/30/92/561213092.db2.gz BJBOJPSZGDEPJG-UHFFFAOYSA-N 1 0 357.414 2.385 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177507055 546632095 /nfs/dbraw/zinc/63/20/95/546632095.db2.gz PHPCBHGHHJTIOY-HUUCEWRRSA-N 1 0 363.414 2.374 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000177772288 546682983 /nfs/dbraw/zinc/68/29/83/546682983.db2.gz OYSFGEZTNTZLCY-CABCVRRESA-N 1 0 361.398 2.080 20 5 FEBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCC[C@H]1O ZINC000481357933 561231459 /nfs/dbraw/zinc/23/14/59/561231459.db2.gz HDPXDMUSPLKSNS-XJKSGUPXSA-N 1 0 363.414 2.376 20 5 FEBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481513217 561234770 /nfs/dbraw/zinc/23/47/70/561234770.db2.gz UWDGJRAIQFXPLL-UHFFFAOYSA-N 1 0 361.402 2.301 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737328 561240288 /nfs/dbraw/zinc/24/02/88/561240288.db2.gz CWZZAJTVSJGLJO-GOEBONIOSA-N 1 0 352.387 2.016 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000180475529 547114943 /nfs/dbraw/zinc/11/49/43/547114943.db2.gz TXTMPRKBJRQAOS-KRWDZBQOSA-N 1 0 369.421 2.482 20 5 FEBDRO COc1ccc(OCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000483057556 561266153 /nfs/dbraw/zinc/26/61/53/561266153.db2.gz NLVIDQNEMCDBSN-MRXNPFEDSA-N 1 0 366.414 2.252 20 5 FEBDRO CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000181121326 547254079 /nfs/dbraw/zinc/25/40/79/547254079.db2.gz LKQUVEHNKYUIHS-UHFFFAOYSA-N 1 0 355.460 2.135 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000181513973 547326789 /nfs/dbraw/zinc/32/67/89/547326789.db2.gz SVWMHLHHPINLCI-NSHDSACASA-N 1 0 361.489 2.228 20 5 FEBDRO CNc1c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000483378800 561275245 /nfs/dbraw/zinc/27/52/45/561275245.db2.gz FMRWETIFLHBQDL-HUUCEWRRSA-N 1 0 364.471 2.288 20 5 FEBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181656275 547354818 /nfs/dbraw/zinc/35/48/18/547354818.db2.gz LRABHPPYRNJZLC-BBRMVZONSA-N 1 0 354.357 2.417 20 5 FEBDRO C[C@H](O)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181785616 547380175 /nfs/dbraw/zinc/38/01/75/547380175.db2.gz WWUPUHLZUIOSLY-HOCLYGCPSA-N 1 0 352.431 2.350 20 5 FEBDRO CC(C)OC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181834781 547388048 /nfs/dbraw/zinc/38/80/48/547388048.db2.gz FHELTKHWEKKIEV-KRWDZBQOSA-N 1 0 373.409 2.429 20 5 FEBDRO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000183523540 547675237 /nfs/dbraw/zinc/67/52/37/547675237.db2.gz NGJLOAFHOCCVOP-HNNXBMFYSA-N 1 0 369.487 2.179 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000183716996 547706693 /nfs/dbraw/zinc/70/66/93/547706693.db2.gz JCXXHEBZPWJTNY-HNNXBMFYSA-N 1 0 365.430 2.463 20 5 FEBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000484636770 561301684 /nfs/dbraw/zinc/30/16/84/561301684.db2.gz KKYUROMQIGTPFV-HOCLYGCPSA-N 1 0 351.403 2.015 20 5 FEBDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3N)cc21 ZINC000184720598 547870847 /nfs/dbraw/zinc/87/08/47/547870847.db2.gz HDGSWKWWUYZXHR-UHFFFAOYSA-N 1 0 368.397 2.341 20 5 FEBDRO COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000485725319 561326724 /nfs/dbraw/zinc/32/67/24/561326724.db2.gz CNNLSLXTYVCFJC-UWWQBHOKSA-N 1 0 352.431 2.326 20 5 FEBDRO O=C(C[N@H+](CCO)CC1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000485857103 561330139 /nfs/dbraw/zinc/33/01/39/561330139.db2.gz TXRXDRLTWVNQBP-UHFFFAOYSA-N 1 0 361.442 2.359 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000186775817 548190356 /nfs/dbraw/zinc/19/03/56/548190356.db2.gz USGQHIJPGCNTHH-CYBMUJFWSA-N 1 0 371.459 2.146 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000193401809 548386833 /nfs/dbraw/zinc/38/68/33/548386833.db2.gz ORAGJBUMICTGQM-UHFFFAOYSA-N 1 0 350.419 2.275 20 5 FEBDRO O=C(NC1CC[NH+](CC2CC2)CC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194244599 548454442 /nfs/dbraw/zinc/45/44/42/548454442.db2.gz VESOUMYCYVZPAH-UHFFFAOYSA-N 1 0 369.425 2.385 20 5 FEBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)c([N+](=O)[O-])c1 ZINC000194517355 548492838 /nfs/dbraw/zinc/49/28/38/548492838.db2.gz JOFLBOUGFXYGCJ-LBPRGKRZSA-N 1 0 361.333 2.406 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000194620302 548507144 /nfs/dbraw/zinc/50/71/44/548507144.db2.gz NDQLCUPXARTSFX-INIZCTEOSA-N 1 0 360.458 2.145 20 5 FEBDRO CCOc1cc(NC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000486961831 561360398 /nfs/dbraw/zinc/36/03/98/561360398.db2.gz BJYVDQREFCVRJH-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO C[C@H](Nc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-])C1CC1 ZINC000195330370 548625568 /nfs/dbraw/zinc/62/55/68/548625568.db2.gz QUYFRUYGNFBPPR-LBPRGKRZSA-N 1 0 370.475 2.035 20 5 FEBDRO CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000237049825 548797267 /nfs/dbraw/zinc/79/72/67/548797267.db2.gz OLVJVHMZPHUCEN-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000237399177 548822775 /nfs/dbraw/zinc/82/27/75/548822775.db2.gz WKWDKAAMTLRUTJ-MFKMUULPSA-N 1 0 361.851 2.447 20 5 FEBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N)nc2)ccc1[N+](=O)[O-] ZINC000237842369 548858074 /nfs/dbraw/zinc/85/80/74/548858074.db2.gz RRSZXJFMPVXFHV-OAHLLOKOSA-N 1 0 369.381 2.124 20 5 FEBDRO [NH3+]C1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000237875720 548860042 /nfs/dbraw/zinc/86/00/42/548860042.db2.gz MSHZWTCOORCYOM-UHFFFAOYSA-N 1 0 354.215 2.013 20 5 FEBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])C1(c2ccccc2)CC[NH2+]CC1 ZINC000238131664 548879403 /nfs/dbraw/zinc/87/94/03/548879403.db2.gz ULPKIZKRZZBEJB-UHFFFAOYSA-N 1 0 368.437 2.444 20 5 FEBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238130943 548879743 /nfs/dbraw/zinc/87/97/43/548879743.db2.gz JEXOCOBEJKQFAM-UHFFFAOYSA-N 1 0 368.437 2.444 20 5 FEBDRO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000245632305 548961922 /nfs/dbraw/zinc/96/19/22/548961922.db2.gz UABNMCQRFCLOLC-ROUUACIJSA-N 1 0 370.409 2.352 20 5 FEBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)C2CC2)cc1 ZINC000245910228 549017713 /nfs/dbraw/zinc/01/77/13/549017713.db2.gz VLOLPNIIFNQKBE-QZTJIDSGSA-N 1 0 350.415 2.116 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246053158 549042099 /nfs/dbraw/zinc/04/20/99/549042099.db2.gz COMNPTHEIYKAHK-DZGCQCFKSA-N 1 0 355.460 2.254 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246196318 549075026 /nfs/dbraw/zinc/07/50/26/549075026.db2.gz DORRYTFECQBDFW-DZGCQCFKSA-N 1 0 362.430 2.030 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000488493716 561390621 /nfs/dbraw/zinc/39/06/21/561390621.db2.gz YFWDBBJFFBOSFR-NJAPINKUSA-N 1 0 357.414 2.482 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1C ZINC000246540421 549156061 /nfs/dbraw/zinc/15/60/61/549156061.db2.gz CWPYYBONVCZOQR-LSDHHAIUSA-N 1 0 367.471 2.316 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246625017 549177680 /nfs/dbraw/zinc/17/76/80/549177680.db2.gz KCXDKUOWERRCOQ-BBRMVZONSA-N 1 0 363.414 2.433 20 5 FEBDRO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000246748487 549202901 /nfs/dbraw/zinc/20/29/01/549202901.db2.gz ZRBQSYSJSDZYCU-LSDHHAIUSA-N 1 0 369.487 2.177 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246836222 549224661 /nfs/dbraw/zinc/22/46/61/549224661.db2.gz KIANFSXOAYDWNZ-HZPDHXFCSA-N 1 0 365.455 2.438 20 5 FEBDRO O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246983819 549256664 /nfs/dbraw/zinc/25/66/64/549256664.db2.gz WBLLTRQOKAHFFW-YOEHRIQHSA-N 1 0 358.442 2.482 20 5 FEBDRO CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000488994545 561401311 /nfs/dbraw/zinc/40/13/11/561401311.db2.gz GAPZERRLAQCYTF-CYBMUJFWSA-N 1 0 372.491 2.235 20 5 FEBDRO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247372977 549325689 /nfs/dbraw/zinc/32/56/89/549325689.db2.gz KYOOBARLLNHGKB-OCCSQVGLSA-N 1 0 365.430 2.414 20 5 FEBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000247923386 549392126 /nfs/dbraw/zinc/39/21/26/549392126.db2.gz CGDKQXUJEYFJJM-HOTGVXAUSA-N 1 0 367.471 2.026 20 5 FEBDRO C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@H]1c1ccccc1 ZINC000248055208 549403970 /nfs/dbraw/zinc/40/39/70/549403970.db2.gz OIEPXMZXWMXQOR-RHSMWYFYSA-N 1 0 358.373 2.491 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@@H]1C ZINC000489395448 561409872 /nfs/dbraw/zinc/40/98/72/561409872.db2.gz CTWVZFUNRSBULI-RHSMWYFYSA-N 1 0 365.430 2.358 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248504510 549451107 /nfs/dbraw/zinc/45/11/07/549451107.db2.gz VQTYLUKZKKHOCG-XHDPSFHLSA-N 1 0 373.450 2.393 20 5 FEBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@H]12 ZINC000248638601 549474492 /nfs/dbraw/zinc/47/44/92/549474492.db2.gz QWIVNUPZWDXWJJ-JCGIZDLHSA-N 1 0 361.445 2.350 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000249183938 549565738 /nfs/dbraw/zinc/56/57/38/549565738.db2.gz NQVMFRPRYYQSMP-STQMWFEESA-N 1 0 371.459 2.002 20 5 FEBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583263 549607702 /nfs/dbraw/zinc/60/77/02/549607702.db2.gz RYMNPCLIEHOITL-FZKQIMNGSA-N 1 0 365.430 2.415 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000261381300 549730495 /nfs/dbraw/zinc/73/04/95/549730495.db2.gz NBEOEAJEBJYAQA-VIFPVBQESA-N 1 0 361.345 2.275 20 5 FEBDRO COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261622844 549735806 /nfs/dbraw/zinc/73/58/06/549735806.db2.gz AJINPEBMMDIDRP-KRWDZBQOSA-N 1 0 355.394 2.319 20 5 FEBDRO C[NH2+]CCC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000261703558 549744881 /nfs/dbraw/zinc/74/48/81/549744881.db2.gz KHJVGLUEGVYTFV-UHFFFAOYSA-N 1 0 361.851 2.258 20 5 FEBDRO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261714693 549747047 /nfs/dbraw/zinc/74/70/47/549747047.db2.gz PLLQKFBDYNUEJJ-MWLCHTKSSA-N 1 0 354.204 2.039 20 5 FEBDRO COc1cc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000261876701 549765263 /nfs/dbraw/zinc/76/52/63/549765263.db2.gz SWYDACGLFXYFAX-BDAKNGLRSA-N 1 0 359.329 2.014 20 5 FEBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261947246 549772798 /nfs/dbraw/zinc/77/27/98/549772798.db2.gz YLSBWYKFDUQCFU-HLLBOEOZSA-N 1 0 360.458 2.236 20 5 FEBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261948666 549773054 /nfs/dbraw/zinc/77/30/54/549773054.db2.gz YRVANMXIWMXNQP-RKVPGOIHSA-N 1 0 360.458 2.236 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000262590860 549830617 /nfs/dbraw/zinc/83/06/17/549830617.db2.gz RDUDBZVUTIAUMJ-SNVBAGLBSA-N 1 0 361.320 2.265 20 5 FEBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000262807113 549851832 /nfs/dbraw/zinc/85/18/32/549851832.db2.gz QHNLSYVOAOXKTE-VHSXEESVSA-N 1 0 356.220 2.109 20 5 FEBDRO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000490446662 561433337 /nfs/dbraw/zinc/43/33/37/561433337.db2.gz BXNZJNKTRMDTNA-ZRGWGRIASA-N 1 0 363.458 2.029 20 5 FEBDRO C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490630238 561436416 /nfs/dbraw/zinc/43/64/16/561436416.db2.gz JWCRXQOYUFMXGM-WMLDXEAASA-N 1 0 350.438 2.192 20 5 FEBDRO Cc1nn(CCC(=O)NCC[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263858630 549946575 /nfs/dbraw/zinc/94/65/75/549946575.db2.gz WZLREBRPZADKET-UHFFFAOYSA-N 1 0 359.430 2.046 20 5 FEBDRO C[NH+](C)C1(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC1 ZINC000491984665 561448638 /nfs/dbraw/zinc/44/86/38/561448638.db2.gz ZPBBRLCGGNGEGM-UHFFFAOYSA-N 1 0 364.450 2.012 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268791499 550116469 /nfs/dbraw/zinc/11/64/69/550116469.db2.gz AGTFBTFJZKKKOK-GOEBONIOSA-N 1 0 358.442 2.408 20 5 FEBDRO COc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269164577 550163188 /nfs/dbraw/zinc/16/31/88/550163188.db2.gz CORVKOJZKHHZQW-VHSXEESVSA-N 1 0 373.356 2.323 20 5 FEBDRO [NH3+][C@@H]1CC[C@H](C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000269213661 550168331 /nfs/dbraw/zinc/16/83/31/550168331.db2.gz SLNBEUBZINVKLN-GXSJLCMTSA-N 1 0 360.336 2.269 20 5 FEBDRO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[C@H]1[NH3+] ZINC000269234900 550170489 /nfs/dbraw/zinc/17/04/89/550170489.db2.gz BGXCXYJWVSMTBT-GMSGAONNSA-N 1 0 360.183 2.306 20 5 FEBDRO COc1cc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000269238089 550171080 /nfs/dbraw/zinc/17/10/80/550171080.db2.gz XMOLCLBJKRJWTE-SCZZXKLOSA-N 1 0 359.329 2.014 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000269247553 550172370 /nfs/dbraw/zinc/17/23/70/550172370.db2.gz YRVBCKYBAVFKNW-RYUDHWBXSA-N 1 0 351.403 2.120 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000269545058 550205257 /nfs/dbraw/zinc/20/52/57/550205257.db2.gz WHYSOMWGANGZAP-UHFFFAOYSA-N 1 0 363.393 2.442 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269652851 550214078 /nfs/dbraw/zinc/21/40/78/550214078.db2.gz GYIOCPHRUBKEBH-GOSISDBHSA-N 1 0 355.394 2.392 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493390318 561455842 /nfs/dbraw/zinc/45/58/42/561455842.db2.gz USRQZHTVKBGQLX-DOTOQJQBSA-N 1 0 351.403 2.073 20 5 FEBDRO COc1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc([N+](=O)[O-])c1OC ZINC000269859059 550231126 /nfs/dbraw/zinc/23/11/26/550231126.db2.gz UYFRQKFQKGHERM-CQSZACIVSA-N 1 0 365.430 2.462 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708183 561457821 /nfs/dbraw/zinc/45/78/21/561457821.db2.gz OZXREGGBLFALQE-UXEPBGEESA-N 1 0 351.403 2.071 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1 ZINC000270407402 550270185 /nfs/dbraw/zinc/27/01/85/550270185.db2.gz AKBODNKMVGAJGA-ZIAGYGMSSA-N 1 0 355.485 2.434 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270803582 550308573 /nfs/dbraw/zinc/30/85/73/550308573.db2.gz OAUAGITYTWCIQS-CQSZACIVSA-N 1 0 357.414 2.065 20 5 FEBDRO Cn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)n1 ZINC000271466497 550377397 /nfs/dbraw/zinc/37/73/97/550377397.db2.gz YAWQMEGJZOTPGI-UHFFFAOYSA-N 1 0 365.821 2.186 20 5 FEBDRO C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271759104 550400062 /nfs/dbraw/zinc/40/00/62/550400062.db2.gz VETODQPREHKQOL-GJZGRUSLSA-N 1 0 362.430 2.020 20 5 FEBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000272747891 550468630 /nfs/dbraw/zinc/46/86/30/550468630.db2.gz JJIJMMCKCFBUDX-CQSZACIVSA-N 1 0 358.402 2.225 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCCO)Cc1ccccc1 ZINC000273278221 550493000 /nfs/dbraw/zinc/49/30/00/550493000.db2.gz CXGCYHFKLCVBNX-KRWDZBQOSA-N 1 0 360.410 2.219 20 5 FEBDRO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273368512 550495931 /nfs/dbraw/zinc/49/59/31/550495931.db2.gz RIRUDCGMPNYSHL-OAHLLOKOSA-N 1 0 364.398 2.385 20 5 FEBDRO Cc1ccsc1[C@H](CO)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000494636988 561473083 /nfs/dbraw/zinc/47/30/83/561473083.db2.gz ZNQUNHJPZKUMDQ-CABCVRRESA-N 1 0 361.423 2.393 20 5 FEBDRO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000495041879 561481547 /nfs/dbraw/zinc/48/15/47/561481547.db2.gz VDTWXQFNNGRTFL-ZDUSSCGKSA-N 1 0 367.471 2.500 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278505679 550793272 /nfs/dbraw/zinc/79/32/72/550793272.db2.gz LUNCOXYKUDUWFW-GFCCVEGCSA-N 1 0 355.822 2.479 20 5 FEBDRO CC[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000278524920 550795273 /nfs/dbraw/zinc/79/52/73/550795273.db2.gz ZIZBJEUFAJXMEC-MNOVXSKESA-N 1 0 362.352 2.290 20 5 FEBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799876 550823484 /nfs/dbraw/zinc/82/34/84/550823484.db2.gz XOQSTOYLTMVSHF-MLGOLLRUSA-N 1 0 372.429 2.097 20 5 FEBDRO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278837431 550827413 /nfs/dbraw/zinc/82/74/13/550827413.db2.gz UPCGKKVDJYAAKF-GOSISDBHSA-N 1 0 360.458 2.114 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278931778 550837177 /nfs/dbraw/zinc/83/71/77/550837177.db2.gz STEGPYVWWAGEFC-UHFFFAOYSA-N 1 0 371.441 2.169 20 5 FEBDRO O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279270498 550871934 /nfs/dbraw/zinc/87/19/34/550871934.db2.gz NHLCZVWDMUUDTD-LZQZEXGQSA-N 1 0 371.437 2.421 20 5 FEBDRO Cc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2ccccn2)cc1 ZINC000279882807 550939224 /nfs/dbraw/zinc/93/92/24/550939224.db2.gz CNWPORCMVKELOS-IEBWSBKVSA-N 1 0 367.409 2.235 20 5 FEBDRO O=C(c1ccccc1[N+](=O)[O-])N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280580026 551009664 /nfs/dbraw/zinc/00/96/64/551009664.db2.gz AAPNFMQXYPQFMM-MOPGFXCFSA-N 1 0 367.405 2.320 20 5 FEBDRO O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000496221441 561493178 /nfs/dbraw/zinc/49/31/78/561493178.db2.gz IZMALBDWHKDZQY-UHFFFAOYSA-N 1 0 360.336 2.141 20 5 FEBDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000281077729 551061086 /nfs/dbraw/zinc/06/10/86/551061086.db2.gz BGHJLWGGIWRBDI-LBPRGKRZSA-N 1 0 359.423 2.147 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000281341968 551086610 /nfs/dbraw/zinc/08/66/10/551086610.db2.gz MNZDNAGLIGYJLZ-AWEZNQCLSA-N 1 0 364.446 2.348 20 5 FEBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000281634842 551123502 /nfs/dbraw/zinc/12/35/02/551123502.db2.gz AAKRWYRWPBAPRV-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO CCN(CCOCCO)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282171893 551189898 /nfs/dbraw/zinc/18/98/98/551189898.db2.gz VEKYQPQYLZSLEO-LBPRGKRZSA-N 1 0 350.375 2.037 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497516478 561502756 /nfs/dbraw/zinc/50/27/56/561502756.db2.gz OPDQIJPOVBSVGW-ZDUSSCGKSA-N 1 0 355.460 2.166 20 5 FEBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(OCCO)CCOCC1)C1CC1 ZINC000282471064 551234019 /nfs/dbraw/zinc/23/40/19/551234019.db2.gz GLIONXCWGFMSFE-QGZVFWFLSA-N 1 0 364.442 2.064 20 5 FEBDRO O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000282921992 551285627 /nfs/dbraw/zinc/28/56/27/551285627.db2.gz HJYNPYZEEQYNEE-AWEZNQCLSA-N 1 0 361.423 2.426 20 5 FEBDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000283030952 551300305 /nfs/dbraw/zinc/30/03/05/551300305.db2.gz HQQOKSBJCNCBHL-NSHDSACASA-N 1 0 367.402 2.493 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccnc(OCC[NH+](C)C)c1 ZINC000497711385 561506981 /nfs/dbraw/zinc/50/69/81/561506981.db2.gz BSMZTGOAUABPFW-UHFFFAOYSA-N 1 0 360.370 2.191 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000283464527 551370356 /nfs/dbraw/zinc/37/03/56/551370356.db2.gz VTWXUKAHLLDKFP-SWLSCSKDSA-N 1 0 360.414 2.103 20 5 FEBDRO CN1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271743 551512409 /nfs/dbraw/zinc/51/24/09/551512409.db2.gz MUXWWSDOZLCLJW-FUHWJXTLSA-N 1 0 354.410 2.229 20 5 FEBDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284324968 551524340 /nfs/dbraw/zinc/52/43/40/551524340.db2.gz PYKNKUTYEULVOS-ABSDTBQOSA-N 1 0 371.437 2.370 20 5 FEBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000284406417 551542579 /nfs/dbraw/zinc/54/25/79/551542579.db2.gz NQGKDIZSDSIAAC-UHFFFAOYSA-N 1 0 373.388 2.358 20 5 FEBDRO C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285293054 551732976 /nfs/dbraw/zinc/73/29/76/551732976.db2.gz RSFHNXPRQVWSEC-XPTSAGLGSA-N 1 0 373.335 2.011 20 5 FEBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285328729 551738992 /nfs/dbraw/zinc/73/89/92/551738992.db2.gz NROGRPKDOWGCFK-YPMHNXCESA-N 1 0 373.862 2.496 20 5 FEBDRO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000285404521 551750756 /nfs/dbraw/zinc/75/07/56/551750756.db2.gz FJNCXGVKQZHMAE-HNNXBMFYSA-N 1 0 362.430 2.373 20 5 FEBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285497393 551765435 /nfs/dbraw/zinc/76/54/35/551765435.db2.gz MMVHKEDRTQEPAN-FKEKPDDDSA-N 1 0 358.442 2.041 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285518918 551768831 /nfs/dbraw/zinc/76/88/31/551768831.db2.gz OCFJWHWJXXHYJN-VKFONMJVSA-N 1 0 367.471 2.306 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000498988585 561540214 /nfs/dbraw/zinc/54/02/14/561540214.db2.gz BFSAPRWYPLPNFN-DOMZBBRYSA-N 1 0 351.403 2.025 20 5 FEBDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000286001695 551836763 /nfs/dbraw/zinc/83/67/63/551836763.db2.gz ITMPAFUBAIOBDD-GOSISDBHSA-N 1 0 373.409 2.401 20 5 FEBDRO COCC[NH+](CCOC)C1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000286227690 551863520 /nfs/dbraw/zinc/86/35/20/551863520.db2.gz CLVMSSYSGLSHMG-UHFFFAOYSA-N 1 0 351.447 2.467 20 5 FEBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000499097776 561543343 /nfs/dbraw/zinc/54/33/43/561543343.db2.gz QTTKYERXEGBKBQ-NSHDSACASA-N 1 0 361.851 2.319 20 5 FEBDRO Nc1nc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000286497004 551892788 /nfs/dbraw/zinc/89/27/88/551892788.db2.gz XUZPEEWLZRXIFP-SFHVURJKSA-N 1 0 354.414 2.069 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787291 551925916 /nfs/dbraw/zinc/92/59/16/551925916.db2.gz RVSGOWALDSBYSW-GDBMZVCRSA-N 1 0 367.471 2.026 20 5 FEBDRO COC(=O)c1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000499203231 561545735 /nfs/dbraw/zinc/54/57/35/561545735.db2.gz FXFHRAXEKOUGAI-ZDUSSCGKSA-N 1 0 363.414 2.376 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287203630 551975724 /nfs/dbraw/zinc/97/57/24/551975724.db2.gz OWBVMGPSCJCXHW-XJKSGUPXSA-N 1 0 362.430 2.372 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287439605 552004410 /nfs/dbraw/zinc/00/44/10/552004410.db2.gz QAAOWADFQNKPSW-HNNXBMFYSA-N 1 0 374.441 2.176 20 5 FEBDRO C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000287498509 552011945 /nfs/dbraw/zinc/01/19/45/552011945.db2.gz ULSNAUFEYPSECU-YPMHNXCESA-N 1 0 353.806 2.183 20 5 FEBDRO C[C@@H]1C[N@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCO1 ZINC000287782188 552045842 /nfs/dbraw/zinc/04/58/42/552045842.db2.gz OJLGEUYVDJWEIR-GFCCVEGCSA-N 1 0 361.402 2.156 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000499726148 561557112 /nfs/dbraw/zinc/55/71/12/561557112.db2.gz WQSBQUYVHNKCOF-AWEZNQCLSA-N 1 0 372.429 2.170 20 5 FEBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000288428719 552151815 /nfs/dbraw/zinc/15/18/15/552151815.db2.gz KNIXPKNYGSGHMW-LRDDRELGSA-N 1 0 372.429 2.239 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500090088 561565748 /nfs/dbraw/zinc/56/57/48/561565748.db2.gz OKBDPWHYTTXAPP-OAHLLOKOSA-N 1 0 374.441 2.258 20 5 FEBDRO CC(C)(O)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289410229 552316505 /nfs/dbraw/zinc/31/65/05/552316505.db2.gz BLHDGBMKDNWJHM-UHFFFAOYSA-N 1 0 350.156 2.060 20 5 FEBDRO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000500394620 561571533 /nfs/dbraw/zinc/57/15/33/561571533.db2.gz PXWAFRDRHJQBIV-MRXNPFEDSA-N 1 0 358.398 2.498 20 5 FEBDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289492366 552330122 /nfs/dbraw/zinc/33/01/22/552330122.db2.gz LBYIUDGYSVAUGJ-QMMMGPOBSA-N 1 0 364.183 2.448 20 5 FEBDRO COc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc([N+](=O)[O-])c1OC ZINC000290283263 552453651 /nfs/dbraw/zinc/45/36/51/552453651.db2.gz ZSZXCCBQQOAWKK-CYBMUJFWSA-N 1 0 363.414 2.074 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290296488 552456087 /nfs/dbraw/zinc/45/60/87/552456087.db2.gz DQNFQXSEHWHBGE-LLVKDONJSA-N 1 0 370.837 2.423 20 5 FEBDRO NC(=O)c1ccnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000290444650 552480076 /nfs/dbraw/zinc/48/00/76/552480076.db2.gz CLGFMGXHHJLLLG-ZDUSSCGKSA-N 1 0 359.386 2.321 20 5 FEBDRO C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000290539496 552495268 /nfs/dbraw/zinc/49/52/68/552495268.db2.gz DYRYQYCZHSHPBG-OCCSQVGLSA-N 1 0 355.398 2.164 20 5 FEBDRO NC(=O)c1ccnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000290542428 552495900 /nfs/dbraw/zinc/49/59/00/552495900.db2.gz IPFJQOSVHWPXPX-AWEZNQCLSA-N 1 0 361.446 2.181 20 5 FEBDRO Cc1ccc([C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000290685652 552519701 /nfs/dbraw/zinc/51/97/01/552519701.db2.gz SYCKUUDKHUSBIV-CYBMUJFWSA-N 1 0 359.386 2.239 20 5 FEBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262849 552607558 /nfs/dbraw/zinc/60/75/58/552607558.db2.gz XEQGBSCIYUSLAF-SPUZQDLCSA-N 1 0 363.458 2.408 20 5 FEBDRO COCCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000291452625 552625903 /nfs/dbraw/zinc/62/59/03/552625903.db2.gz OCZQEDQNHNJKLH-UHFFFAOYSA-N 1 0 371.384 2.446 20 5 FEBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291911098 552674077 /nfs/dbraw/zinc/67/40/77/552674077.db2.gz QQMIYHLMSLOEAK-HIFRSBDPSA-N 1 0 357.414 2.030 20 5 FEBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291984707 552681582 /nfs/dbraw/zinc/68/15/82/552681582.db2.gz ZJDNHJRMHPMQHH-WFASDCNBSA-N 1 0 357.414 2.273 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293415563 552821091 /nfs/dbraw/zinc/82/10/91/552821091.db2.gz NJQWNAXGOVWYKN-UHFFFAOYSA-N 1 0 356.854 2.204 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1SC ZINC000293509886 552830971 /nfs/dbraw/zinc/83/09/71/552830971.db2.gz SXKPFGRTWATHMN-CMPLNLGQSA-N 1 0 351.428 2.149 20 5 FEBDRO CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295116721 552960455 /nfs/dbraw/zinc/96/04/55/552960455.db2.gz MNJGDBCZCPFLAB-CYBMUJFWSA-N 1 0 357.382 2.051 20 5 FEBDRO Cn1ccnc1[C@H]1N(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1(C)C ZINC000295202375 552969393 /nfs/dbraw/zinc/96/93/93/552969393.db2.gz FKSJMGWVJBVUDU-CYBMUJFWSA-N 1 0 368.390 2.239 20 5 FEBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502015061 561609995 /nfs/dbraw/zinc/60/99/95/561609995.db2.gz FZBBVCCOKRGFDC-BBRMVZONSA-N 1 0 355.460 2.432 20 5 FEBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000502015062 561610042 /nfs/dbraw/zinc/61/00/42/561610042.db2.gz FZBBVCCOKRGFDC-CJNGLKHVSA-N 1 0 355.460 2.432 20 5 FEBDRO CS[C@H]1CN(C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000295555186 553025448 /nfs/dbraw/zinc/02/54/48/553025448.db2.gz PUTZKJWWZSBFRF-ZBFHGGJFSA-N 1 0 365.455 2.062 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295772688 553057065 /nfs/dbraw/zinc/05/70/65/553057065.db2.gz SROGTJBYNVBILI-KRWDZBQOSA-N 1 0 364.442 2.352 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296380887 553150728 /nfs/dbraw/zinc/15/07/28/553150728.db2.gz TUDIZUQLQFTVJD-VUCTXSBTSA-N 1 0 363.414 2.335 20 5 FEBDRO Cc1cc(F)c(NC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000296843933 553219175 /nfs/dbraw/zinc/21/91/75/553219175.db2.gz UFGNKDZLFODDJD-NWDGAFQWSA-N 1 0 354.382 2.273 20 5 FEBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000297063404 553248926 /nfs/dbraw/zinc/24/89/26/553248926.db2.gz UZUZPVLKNUGIKV-AWEZNQCLSA-N 1 0 357.414 2.337 20 5 FEBDRO Nc1c(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000297232117 553267087 /nfs/dbraw/zinc/26/70/87/553267087.db2.gz PAXUSCKAFWVMFN-ZFWWWQNUSA-N 1 0 358.373 2.273 20 5 FEBDRO Nc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000297344637 553281227 /nfs/dbraw/zinc/28/12/27/553281227.db2.gz YQDZWOJLOAQWIR-HOCLYGCPSA-N 1 0 358.373 2.273 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000297713335 553328851 /nfs/dbraw/zinc/32/88/51/553328851.db2.gz BCEUORVESMXINY-CYBMUJFWSA-N 1 0 351.403 2.169 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000297923800 553358076 /nfs/dbraw/zinc/35/80/76/553358076.db2.gz QSAARPPZMVPUDA-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000297924992 553358275 /nfs/dbraw/zinc/35/82/75/553358275.db2.gz ZMXBSWFRNYAUPO-SECBINFHSA-N 1 0 357.208 2.431 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000297941951 553360325 /nfs/dbraw/zinc/36/03/25/553360325.db2.gz AJBBCFACBVKEAC-TZMCWYRMSA-N 1 0 351.403 2.431 20 5 FEBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298056411 553378085 /nfs/dbraw/zinc/37/80/85/553378085.db2.gz IIPLAEDLCCRMCS-SNVBAGLBSA-N 1 0 356.810 2.033 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000503527395 561643749 /nfs/dbraw/zinc/64/37/49/561643749.db2.gz YGWLTVPAQDQRJG-ZWKOTPCHSA-N 1 0 357.410 2.484 20 5 FEBDRO CCOC1CC([N@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000298555637 553440157 /nfs/dbraw/zinc/44/01/57/553440157.db2.gz OSRJXBZSPLAFQE-UHFFFAOYSA-N 1 0 351.403 2.431 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000298626486 553450678 /nfs/dbraw/zinc/45/06/78/553450678.db2.gz NZDBWZDSCWNOMI-UHFFFAOYSA-N 1 0 362.430 2.093 20 5 FEBDRO NC(=O)c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000298694252 553459622 /nfs/dbraw/zinc/45/96/22/553459622.db2.gz DZFJUWKKLGDXIC-UHFFFAOYSA-N 1 0 355.398 2.165 20 5 FEBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000298708026 553461519 /nfs/dbraw/zinc/46/15/19/553461519.db2.gz GTXHJHIIBNFLDI-VIFPVBQESA-N 1 0 362.329 2.446 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000299204606 553530545 /nfs/dbraw/zinc/53/05/45/553530545.db2.gz GCTTUZBIIKVMCP-GFCCVEGCSA-N 1 0 374.441 2.093 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)(C)O)C1CC1 ZINC000299334382 553549273 /nfs/dbraw/zinc/54/92/73/553549273.db2.gz OMTPGWUBTNGFQZ-UHFFFAOYSA-N 1 0 351.403 2.167 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000299338989 553550191 /nfs/dbraw/zinc/55/01/91/553550191.db2.gz JPPOPQCFRDJOLP-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000299343153 553550678 /nfs/dbraw/zinc/55/06/78/553550678.db2.gz QLNNGGWVSHGNSZ-KBPBESRZSA-N 1 0 362.430 2.139 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000299379164 553555567 /nfs/dbraw/zinc/55/55/67/553555567.db2.gz PFGXUWNGPUNFHH-AWEZNQCLSA-N 1 0 353.444 2.152 20 5 FEBDRO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000301300100 553639944 /nfs/dbraw/zinc/63/99/44/553639944.db2.gz ZLSITEBVKLJBFD-CQSZACIVSA-N 1 0 364.402 2.368 20 5 FEBDRO Cc1nc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000301668311 553670193 /nfs/dbraw/zinc/67/01/93/553670193.db2.gz PIHOMOQIWNARSZ-AWEZNQCLSA-N 1 0 356.430 2.316 20 5 FEBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301948039 553693861 /nfs/dbraw/zinc/69/38/61/553693861.db2.gz HTCKWIVLANHZGL-UHFFFAOYSA-N 1 0 367.413 2.385 20 5 FEBDRO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000302491213 553718617 /nfs/dbraw/zinc/71/86/17/553718617.db2.gz KDGBVUPUVSINOL-SNVBAGLBSA-N 1 0 373.251 2.034 20 5 FEBDRO COCC[N@H+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000505518463 561672849 /nfs/dbraw/zinc/67/28/49/561672849.db2.gz DKBDQLFCRGJOBG-INIZCTEOSA-N 1 0 360.414 2.362 20 5 FEBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976189 553762919 /nfs/dbraw/zinc/76/29/19/553762919.db2.gz FLYZUXAHQTVOSJ-UWVGGRQHSA-N 1 0 369.219 2.061 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000324971904 553774364 /nfs/dbraw/zinc/77/43/64/553774364.db2.gz OCNOWNISEBIKAX-HIFRSBDPSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000326823489 553783528 /nfs/dbraw/zinc/78/35/28/553783528.db2.gz YICSJNVIQLPBEM-OAHLLOKOSA-N 1 0 373.862 2.273 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000330533659 554134432 /nfs/dbraw/zinc/13/44/32/554134432.db2.gz COMMLQKUIFHTOG-UHFFFAOYSA-N 1 0 355.460 2.366 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000330617294 554146432 /nfs/dbraw/zinc/14/64/32/554146432.db2.gz WWZIQKPRPVHBRN-CHWSQXEVSA-N 1 0 361.851 2.198 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314275 554246163 /nfs/dbraw/zinc/24/61/63/554246163.db2.gz WVCUQOYIGNGZEY-ZIAGYGMSSA-N 1 0 355.460 2.302 20 5 FEBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000331728864 554316874 /nfs/dbraw/zinc/31/68/74/554316874.db2.gz NWXWJOHAUGMENC-HNNXBMFYSA-N 1 0 360.414 2.313 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000331824934 554325889 /nfs/dbraw/zinc/32/58/89/554325889.db2.gz WOOGGEIEKRWIJH-QLFBSQMISA-N 1 0 363.462 2.390 20 5 FEBDRO CS[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+]1CCCC1 ZINC000331922139 554346857 /nfs/dbraw/zinc/34/68/57/554346857.db2.gz JSHWHWUUGDHTOD-DLBZAZTESA-N 1 0 363.483 2.484 20 5 FEBDRO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000331944896 554350092 /nfs/dbraw/zinc/35/00/92/554350092.db2.gz PZJAVHNXHJCICE-UHFFFAOYSA-N 1 0 357.414 2.162 20 5 FEBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000509451292 561800151 /nfs/dbraw/zinc/80/01/51/561800151.db2.gz PKOCOKCIXXYUTP-HNNXBMFYSA-N 1 0 350.419 2.182 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000332107834 554382159 /nfs/dbraw/zinc/38/21/59/554382159.db2.gz ZYDHARYODNMEIT-GDBMZVCRSA-N 1 0 365.455 2.255 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332225120 554404466 /nfs/dbraw/zinc/40/44/66/554404466.db2.gz BOTOTGFWLHIZTD-UONOGXRCSA-N 1 0 353.444 2.117 20 5 FEBDRO C[N@@H+]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000332246180 554409101 /nfs/dbraw/zinc/40/91/01/554409101.db2.gz WYLXWSHIXCOHGR-UHFFFAOYSA-N 1 0 361.320 2.314 20 5 FEBDRO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510467823 561835383 /nfs/dbraw/zinc/83/53/83/561835383.db2.gz SMLMWAAHMMYFON-UHFFFAOYSA-N 1 0 355.460 2.481 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000510539996 561838328 /nfs/dbraw/zinc/83/83/28/561838328.db2.gz UBSUIYPBDIMUKW-CZUORRHYSA-N 1 0 367.471 2.405 20 5 FEBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+](C)C ZINC000510546093 561838407 /nfs/dbraw/zinc/83/84/07/561838407.db2.gz IDQXUIMXSFCGJL-MLGOLLRUSA-N 1 0 357.414 2.302 20 5 FEBDRO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccccc3OCC[NH+](C)C)n2)n1C ZINC000350262309 554773848 /nfs/dbraw/zinc/77/38/48/554773848.db2.gz IWNQPYXIHOHOHA-UHFFFAOYSA-N 1 0 372.385 2.294 20 5 FEBDRO C[NH+]1CCC([C@H]2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000360809503 554890757 /nfs/dbraw/zinc/89/07/57/554890757.db2.gz HOSVYDRKYWAZII-LBPRGKRZSA-N 1 0 373.500 2.228 20 5 FEBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360853516 554892867 /nfs/dbraw/zinc/89/28/67/554892867.db2.gz YBZJFZAGLISLML-WBVHZDCISA-N 1 0 360.458 2.001 20 5 FEBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337127 554965188 /nfs/dbraw/zinc/96/51/88/554965188.db2.gz SRTJGQJKQHNCKI-WFASDCNBSA-N 1 0 361.450 2.119 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000511923476 561885761 /nfs/dbraw/zinc/88/57/61/561885761.db2.gz QCUHYTMCZGMFEY-HNNXBMFYSA-N 1 0 362.430 2.242 20 5 FEBDRO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNc1cc[nH+]cc1 ZINC000512016992 561889332 /nfs/dbraw/zinc/88/93/32/561889332.db2.gz RPFVVKODNNIMCY-UHFFFAOYSA-N 1 0 372.428 2.200 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000364185948 555265489 /nfs/dbraw/zinc/26/54/89/555265489.db2.gz WMJQIRJUSAWZMJ-CABCVRRESA-N 1 0 373.862 2.449 20 5 FEBDRO COc1ccc(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000364308403 555288764 /nfs/dbraw/zinc/28/87/64/555288764.db2.gz XABFMCOPYJGARC-GJZGRUSLSA-N 1 0 359.357 2.309 20 5 FEBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451237 555316521 /nfs/dbraw/zinc/31/65/21/555316521.db2.gz XMDLDGNAIYCKNU-PKOBYXMFSA-N 1 0 353.378 2.224 20 5 FEBDRO C[N@H+](Cc1ccccc1)C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000512415607 561903999 /nfs/dbraw/zinc/90/39/99/561903999.db2.gz NDCBVKHTVVAAGH-UHFFFAOYSA-N 1 0 355.394 2.316 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000364755080 555394265 /nfs/dbraw/zinc/39/42/65/555394265.db2.gz AJJYFYPSHBHWSJ-KMFMINBZSA-N 1 0 364.402 2.187 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000364839912 555412659 /nfs/dbraw/zinc/41/26/59/555412659.db2.gz DCGFZERRTGXLTR-UHFFFAOYSA-N 1 0 362.430 2.032 20 5 FEBDRO CCOc1cccc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000364902462 555432091 /nfs/dbraw/zinc/43/20/91/555432091.db2.gz CTXGUGXIRCEYEO-INIZCTEOSA-N 1 0 362.474 2.457 20 5 FEBDRO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365507180 555593997 /nfs/dbraw/zinc/59/39/97/555593997.db2.gz GVUZGFPFHWPNFL-GOEBONIOSA-N 1 0 363.462 2.465 20 5 FEBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365546346 555605268 /nfs/dbraw/zinc/60/52/68/555605268.db2.gz KZZKIEKOBFMIGS-PEYYIBSZSA-N 1 0 355.398 2.027 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550002 555606329 /nfs/dbraw/zinc/60/63/29/555606329.db2.gz SNKBPUVQYFMSOF-QGPMSJSTSA-N 1 0 358.442 2.258 20 5 FEBDRO CCc1n[nH]c(C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365553336 555606982 /nfs/dbraw/zinc/60/69/82/555606982.db2.gz XQQRORSCOFGOOH-UHFFFAOYSA-N 1 0 372.429 2.012 20 5 FEBDRO Cc1c(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555971 555607835 /nfs/dbraw/zinc/60/78/35/555607835.db2.gz WWXUNODSELMVBR-APHBMKBZSA-N 1 0 374.397 2.368 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365703297 555645229 /nfs/dbraw/zinc/64/52/29/555645229.db2.gz NIRQJWDIRWLUFD-DMDPSCGWSA-N 1 0 373.862 2.305 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365854947 555684336 /nfs/dbraw/zinc/68/43/36/555684336.db2.gz JASQSSUVQXBLEH-HNNXBMFYSA-N 1 0 357.414 2.330 20 5 FEBDRO CCOc1ccc(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)cc1[N+](=O)[O-] ZINC000365873854 555689593 /nfs/dbraw/zinc/68/95/93/555689593.db2.gz LZUSPAQKZZITLO-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365996016 555721947 /nfs/dbraw/zinc/72/19/47/555721947.db2.gz KHGXUHCUMWEHPA-ZFWWWQNUSA-N 1 0 364.450 2.011 20 5 FEBDRO Cc1cn2cc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)ccc2n1 ZINC000513563922 561943003 /nfs/dbraw/zinc/94/30/03/561943003.db2.gz WZYZXYHHZFGJFB-UHFFFAOYSA-N 1 0 374.378 2.207 20 5 FEBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366733733 555920926 /nfs/dbraw/zinc/92/09/26/555920926.db2.gz BSNKKXCKYDEGAJ-LJQANCHMSA-N 1 0 363.458 2.203 20 5 FEBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000514603313 561969237 /nfs/dbraw/zinc/96/92/37/561969237.db2.gz BRHHZCJWBJSVRT-GOEBONIOSA-N 1 0 360.458 2.397 20 5 FEBDRO CC(=O)c1cc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437466 556048622 /nfs/dbraw/zinc/04/86/22/556048622.db2.gz WMZJWYIWJSJYHU-KDOFPFPSSA-N 1 0 360.458 2.260 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000367474728 556060380 /nfs/dbraw/zinc/06/03/80/556060380.db2.gz NPTOSQCGWXRMAB-AWEZNQCLSA-N 1 0 359.835 2.012 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CCO1 ZINC000367496072 556066607 /nfs/dbraw/zinc/06/66/07/556066607.db2.gz BPXIXUZKDCAANR-LLVKDONJSA-N 1 0 363.443 2.289 20 5 FEBDRO O=C([C@@H]1CC12CC[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2)N1CCCC1 ZINC000367557980 556082576 /nfs/dbraw/zinc/08/25/76/556082576.db2.gz WCEMLVGNVSUNGE-ZWKOTPCHSA-N 1 0 373.453 2.353 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000367661604 556107742 /nfs/dbraw/zinc/10/77/42/556107742.db2.gz RSOFRSAANPWMPF-INIZCTEOSA-N 1 0 362.474 2.063 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000368235858 556255336 /nfs/dbraw/zinc/25/53/36/556255336.db2.gz QYUCPARWYKUBRR-RDJZCZTQSA-N 1 0 350.415 2.083 20 5 FEBDRO C[NH+](C)Cc1ccccc1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368305485 556274073 /nfs/dbraw/zinc/27/40/73/556274073.db2.gz WGOXOJXPEJRCBQ-UHFFFAOYSA-N 1 0 357.414 2.330 20 5 FEBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395865 556296311 /nfs/dbraw/zinc/29/63/11/556296311.db2.gz WUCWUEZSBWRIGE-SMDDNHRTSA-N 1 0 351.378 2.233 20 5 FEBDRO O=C(Nc1ncccc1C[NH+]1CCc2ccccc2CC1)[C@H]1CC1[N+](=O)[O-] ZINC000368556452 556344972 /nfs/dbraw/zinc/34/49/72/556344972.db2.gz XCZWQWCYNURRCT-ROUUACIJSA-N 1 0 366.421 2.286 20 5 FEBDRO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664829 556378840 /nfs/dbraw/zinc/37/88/40/556378840.db2.gz YUEZPSIPGNXHGQ-ZBFHGGJFSA-N 1 0 360.414 2.246 20 5 FEBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368964549 556461199 /nfs/dbraw/zinc/46/11/99/556461199.db2.gz GLXMHBGNIQKJER-WBVHZDCISA-N 1 0 363.458 2.079 20 5 FEBDRO O=[N+]([O-])c1c(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000369002172 556472857 /nfs/dbraw/zinc/47/28/57/556472857.db2.gz MRBXVCBGXQKJJY-NEPJUHHUSA-N 1 0 351.432 2.217 20 5 FEBDRO CC(=O)Nc1cccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000515877259 562024576 /nfs/dbraw/zinc/02/45/76/562024576.db2.gz SBPLGRSSULGCJU-QGZVFWFLSA-N 1 0 359.382 2.083 20 5 FEBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369164020 556523054 /nfs/dbraw/zinc/52/30/54/556523054.db2.gz NPTBJJWJJNSNRI-HNNXBMFYSA-N 1 0 369.425 2.214 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccs1 ZINC000369560300 556631470 /nfs/dbraw/zinc/63/14/70/556631470.db2.gz GBIQADBWCOEUKB-IINYFYTJSA-N 1 0 361.427 2.255 20 5 FEBDRO C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000369684021 556668021 /nfs/dbraw/zinc/66/80/21/556668021.db2.gz RJNHIXNEENXECM-CYBMUJFWSA-N 1 0 361.446 2.218 20 5 FEBDRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369693146 556670344 /nfs/dbraw/zinc/67/03/44/556670344.db2.gz QEOGAUVDZILCEK-INIZCTEOSA-N 1 0 360.414 2.177 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000369845067 556710838 /nfs/dbraw/zinc/71/08/38/556710838.db2.gz HKSZWCNLYKTFLW-FRIZHTMISA-N 1 0 374.441 2.226 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000370107140 556782157 /nfs/dbraw/zinc/78/21/57/556782157.db2.gz GQBXCOSEGMSOBV-AWEZNQCLSA-N 1 0 353.444 2.070 20 5 FEBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cccnn2)CC1 ZINC000370432899 556871472 /nfs/dbraw/zinc/87/14/72/556871472.db2.gz HVWBJWXFXWLISI-UHFFFAOYSA-N 1 0 357.414 2.364 20 5 FEBDRO O=C1CO[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2N1 ZINC000370712545 556946685 /nfs/dbraw/zinc/94/66/85/556946685.db2.gz WHFMSXOHRCAARG-HZPDHXFCSA-N 1 0 373.434 2.413 20 5 FEBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370760599 556960795 /nfs/dbraw/zinc/96/07/95/556960795.db2.gz RZCSSGTXFPAAQK-FEHORCSSSA-N 1 0 359.426 2.225 20 5 FEBDRO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370838729 556985888 /nfs/dbraw/zinc/98/58/88/556985888.db2.gz GRYLBCWYWPQEML-OVKVCFKUSA-N 1 0 372.469 2.235 20 5 FEBDRO Cc1cc(N2CCc3nnc(N)cc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371076171 557067894 /nfs/dbraw/zinc/06/78/94/557067894.db2.gz RDRGUBMEXGDZEH-UHFFFAOYSA-N 1 0 363.381 2.295 20 5 FEBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)cs1 ZINC000371091807 557073051 /nfs/dbraw/zinc/07/30/51/557073051.db2.gz XEXYZIBJRYMSBH-UHFFFAOYSA-N 1 0 359.473 2.093 20 5 FEBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227274 557112471 /nfs/dbraw/zinc/11/24/71/557112471.db2.gz CIQQXWVPVXUXBJ-NHYWBVRUSA-N 1 0 363.805 2.394 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371231730 557114156 /nfs/dbraw/zinc/11/41/56/557114156.db2.gz PYZSCYAVYIZTHC-OAHLLOKOSA-N 1 0 351.378 2.103 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371233705 557114697 /nfs/dbraw/zinc/11/46/97/557114697.db2.gz ZZAQUKCBPYAAJH-PBHICJAKSA-N 1 0 369.425 2.385 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000371366080 557162624 /nfs/dbraw/zinc/16/26/24/557162624.db2.gz WPVCOZQBJWLOIV-UHFFFAOYSA-N 1 0 361.442 2.098 20 5 FEBDRO COC(=O)c1ccoc1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000371387588 557170188 /nfs/dbraw/zinc/17/01/88/557170188.db2.gz DUSRYCFIAANCKH-UHFFFAOYSA-N 1 0 362.386 2.126 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371506306 557203240 /nfs/dbraw/zinc/20/32/40/557203240.db2.gz QHVKGBMMCGUNMZ-FZMZJTMJSA-N 1 0 373.862 2.271 20 5 FEBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069346 562103772 /nfs/dbraw/zinc/10/37/72/562103772.db2.gz OJXMVSXURLWASG-CHWSQXEVSA-N 1 0 363.414 2.359 20 5 FEBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371821682 557302976 /nfs/dbraw/zinc/30/29/76/557302976.db2.gz BYQPISPVUSMVKA-LCJXNMAOSA-N 1 0 372.469 2.283 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncc[nH]2)c2ncccc12 ZINC000372057230 557368758 /nfs/dbraw/zinc/36/87/58/557368758.db2.gz CZDDQIUXFOOEKN-CYBMUJFWSA-N 1 0 373.394 2.392 20 5 FEBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000519107861 562125144 /nfs/dbraw/zinc/12/51/44/562125144.db2.gz JZJSLVZEXNUWRG-UHFFFAOYSA-N 1 0 351.451 2.152 20 5 FEBDRO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372602076 557517514 /nfs/dbraw/zinc/51/75/14/557517514.db2.gz VMJSPHLSQNCRNR-NSHDSACASA-N 1 0 362.365 2.060 20 5 FEBDRO CC[NH2+]CCCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000519820623 562145311 /nfs/dbraw/zinc/14/53/11/562145311.db2.gz AFLIXRCNPUQQMK-UHFFFAOYSA-N 1 0 359.430 2.186 20 5 FEBDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112984 557631225 /nfs/dbraw/zinc/63/12/25/557631225.db2.gz PDPXOLLLLUIVHT-YOEHRIQHSA-N 1 0 373.413 2.189 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000519974076 562148282 /nfs/dbraw/zinc/14/82/82/562148282.db2.gz ADUOWWSHSSTTJH-OAHLLOKOSA-N 1 0 363.462 2.157 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000374184260 557839851 /nfs/dbraw/zinc/83/98/51/557839851.db2.gz RILHGYOXLVGTFQ-OAHLLOKOSA-N 1 0 367.471 2.364 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000521030997 562167982 /nfs/dbraw/zinc/16/79/82/562167982.db2.gz LZMIYKGLPHEPLX-HIFRSBDPSA-N 1 0 352.456 2.457 20 5 FEBDRO Cc1c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000374434311 557883677 /nfs/dbraw/zinc/88/36/77/557883677.db2.gz FQFBHMKRTBUVAX-OAHLLOKOSA-N 1 0 362.386 2.416 20 5 FEBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374438393 557884274 /nfs/dbraw/zinc/88/42/74/557884274.db2.gz QGIXKVLXENGVAO-KRWDZBQOSA-N 1 0 369.425 2.385 20 5 FEBDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374767222 557928093 /nfs/dbraw/zinc/92/80/93/557928093.db2.gz NQCFJORONNKHND-XJKSGUPXSA-N 1 0 358.373 2.144 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375032741 557967440 /nfs/dbraw/zinc/96/74/40/557967440.db2.gz SVHYDYILPMEYNI-IAQYHMDHSA-N 1 0 352.822 2.213 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000375064946 557972555 /nfs/dbraw/zinc/97/25/55/557972555.db2.gz ZTZPRTAYNISAII-MOPGFXCFSA-N 1 0 369.421 2.408 20 5 FEBDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000375969479 558107299 /nfs/dbraw/zinc/10/72/99/558107299.db2.gz QRKVOVFYLBSLGO-HNNXBMFYSA-N 1 0 371.441 2.282 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCOc1ccc(F)cc1 ZINC000521674525 562182040 /nfs/dbraw/zinc/18/20/40/562182040.db2.gz LMCZBMRLGIAJBD-AWEZNQCLSA-N 1 0 350.346 2.142 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000376418921 558170502 /nfs/dbraw/zinc/17/05/02/558170502.db2.gz DZHRJHUXPMXRDC-UHFFFAOYSA-N 1 0 362.430 2.397 20 5 FEBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376817490 558225561 /nfs/dbraw/zinc/22/55/61/558225561.db2.gz CIBQJZVWFHBEFY-AWEZNQCLSA-N 1 0 353.854 2.248 20 5 FEBDRO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000377129195 558272614 /nfs/dbraw/zinc/27/26/14/558272614.db2.gz UBDHPKJJAWRMGN-DKSSEZFCSA-N 1 0 372.469 2.194 20 5 FEBDRO O=C(Nc1cnccc1-n1ccnn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000377482112 558348273 /nfs/dbraw/zinc/34/82/73/558348273.db2.gz QGWDNPBUNPTLJS-UHFFFAOYSA-N 1 0 360.280 2.301 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000377874313 558439106 /nfs/dbraw/zinc/43/91/06/558439106.db2.gz MXBRXBHGMGSCNY-OCCSQVGLSA-N 1 0 368.821 2.311 20 5 FEBDRO CCc1ccc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000378227599 558506719 /nfs/dbraw/zinc/50/67/19/558506719.db2.gz ORUGAUHOGPDHLF-XYJFISCASA-N 1 0 361.442 2.481 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000378233045 558507652 /nfs/dbraw/zinc/50/76/52/558507652.db2.gz UJIANPCNINGHCR-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO Cc1nn(CCC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000523286016 562210390 /nfs/dbraw/zinc/21/03/90/562210390.db2.gz WHKFQBDHUHKONW-OAHLLOKOSA-N 1 0 351.451 2.035 20 5 FEBDRO CC1(C[NH+]2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000378277860 558518105 /nfs/dbraw/zinc/51/81/05/558518105.db2.gz QRCKJRIDEDPGKD-UHFFFAOYSA-N 1 0 365.405 2.308 20 5 FEBDRO CNC(=O)CN1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000378346763 558534749 /nfs/dbraw/zinc/53/47/49/558534749.db2.gz BATUWIQEGMAABW-UHFFFAOYSA-N 1 0 372.425 2.109 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000392311218 558617340 /nfs/dbraw/zinc/61/73/40/558617340.db2.gz NIOWJKDCWALAOM-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457528 558693436 /nfs/dbraw/zinc/69/34/36/558693436.db2.gz TZGUGXDBBPPDRW-GOEBONIOSA-N 1 0 357.414 2.133 20 5 FEBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524720339 562233108 /nfs/dbraw/zinc/23/31/08/562233108.db2.gz LIDSKZHNRLNUON-JTQLQIEISA-N 1 0 373.356 2.276 20 5 FEBDRO COc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)c([N+](=O)[O-])cc1F ZINC000410715146 558802562 /nfs/dbraw/zinc/80/25/62/558802562.db2.gz DKMOHHORKUFDBO-UHFFFAOYSA-N 1 0 351.378 2.443 20 5 FEBDRO C[C@H]1C[NH+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000411250010 558860638 /nfs/dbraw/zinc/86/06/38/558860638.db2.gz XXUKOGXGXGZINI-DFEHZGFQSA-N 1 0 361.442 2.314 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000411341579 558880092 /nfs/dbraw/zinc/88/00/92/558880092.db2.gz CTSGMZMPQFYFAD-LBPRGKRZSA-N 1 0 351.403 2.431 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1F ZINC000411419116 558891605 /nfs/dbraw/zinc/89/16/05/558891605.db2.gz SDFSNNAWYQEOMV-GFCCVEGCSA-N 1 0 353.394 2.133 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411539656 558913268 /nfs/dbraw/zinc/91/32/68/558913268.db2.gz YKHZCWFAYSDKJS-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000411589111 558924243 /nfs/dbraw/zinc/92/42/43/558924243.db2.gz HJJNRPLUZBDKQZ-CQSZACIVSA-N 1 0 362.430 2.091 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000411601526 558927213 /nfs/dbraw/zinc/92/72/13/558927213.db2.gz ANWBWWQSPNGFCT-XQQFMLRXSA-N 1 0 351.403 2.430 20 5 FEBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000411608519 558928434 /nfs/dbraw/zinc/92/84/34/558928434.db2.gz GFAMKHBRNKSDMN-UHFFFAOYSA-N 1 0 358.398 2.467 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411734110 558952428 /nfs/dbraw/zinc/95/24/28/558952428.db2.gz HTEJHMLKLKLPQI-GFCCVEGCSA-N 1 0 353.394 2.133 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+](C)C2CCCC2)c1F ZINC000412031259 559003990 /nfs/dbraw/zinc/00/39/90/559003990.db2.gz GQXGKSVEDTYSCY-UHFFFAOYSA-N 1 0 353.394 2.276 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412051895 559006759 /nfs/dbraw/zinc/00/67/59/559006759.db2.gz XEYSIKCBLQTNNR-GUTXKFCHSA-N 1 0 363.414 2.025 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1F ZINC000412186460 559019057 /nfs/dbraw/zinc/01/90/57/559019057.db2.gz SCFFZJLZGGYJEP-DGCLKSJQSA-N 1 0 353.394 2.130 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCC[N@H+](C)C2CC2)c1F ZINC000412429193 559035017 /nfs/dbraw/zinc/03/50/17/559035017.db2.gz ROWDMJSJMPCMRT-UHFFFAOYSA-N 1 0 353.394 2.276 20 5 FEBDRO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000414732190 559182908 /nfs/dbraw/zinc/18/29/08/559182908.db2.gz IDAOEQMPBJUSNF-LBPRGKRZSA-N 1 0 368.393 2.056 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000414885950 559193005 /nfs/dbraw/zinc/19/30/05/559193005.db2.gz POAZLWLFPXPGMD-UHFFFAOYSA-N 1 0 370.409 2.131 20 5 FEBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000414949907 559196698 /nfs/dbraw/zinc/19/66/98/559196698.db2.gz OAAFKGNPEAWTBX-ZJUUUORDSA-N 1 0 356.329 2.269 20 5 FEBDRO COc1cc(CN[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000414951231 559196830 /nfs/dbraw/zinc/19/68/30/559196830.db2.gz IWDKODMJTBDWMC-ZYHUDNBSSA-N 1 0 359.373 2.477 20 5 FEBDRO Cn1cc(CN[C@@H]2C[NH2+]CCC2(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415004051 559200147 /nfs/dbraw/zinc/20/01/47/559200147.db2.gz PTKQENLSIHZDFF-CQSZACIVSA-N 1 0 351.357 2.082 20 5 FEBDRO [NH3+]Cc1ccc(NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000415090776 559204902 /nfs/dbraw/zinc/20/49/02/559204902.db2.gz BJTZOYGXFKHSTF-UHFFFAOYSA-N 1 0 368.393 2.183 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCO1 ZINC000415434354 559236372 /nfs/dbraw/zinc/23/63/72/559236372.db2.gz HPYFXNRPKBBBEF-JTQLQIEISA-N 1 0 362.308 2.195 20 5 FEBDRO CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415649222 559257926 /nfs/dbraw/zinc/25/79/26/559257926.db2.gz PLGPJBDQBWHZAN-VXGBXAGGSA-N 1 0 362.430 2.217 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000415709869 559264292 /nfs/dbraw/zinc/26/42/92/559264292.db2.gz KGLSYENYESINRM-UHFFFAOYSA-N 1 0 362.430 2.209 20 5 FEBDRO [NH3+]CC[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000416019459 559289434 /nfs/dbraw/zinc/28/94/34/559289434.db2.gz ZUMYYDMMXIVEPN-ZDUSSCGKSA-N 1 0 362.352 2.496 20 5 FEBDRO Cc1cc(S(=O)(=O)NC(C)(C)C[NH+]2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000416494253 559317565 /nfs/dbraw/zinc/31/75/65/559317565.db2.gz IAXOIAAFMZQCDA-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416554252 559321343 /nfs/dbraw/zinc/32/13/43/559321343.db2.gz JMDIDVQCIWOIFQ-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[C@H]([NH3+])CNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416894284 559336955 /nfs/dbraw/zinc/33/69/55/559336955.db2.gz SESCOCPHJFOSCV-JTQLQIEISA-N 1 0 363.340 2.062 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000417044794 559345523 /nfs/dbraw/zinc/34/55/23/559345523.db2.gz QOHMLZYBGVTKKX-ZIAGYGMSSA-N 1 0 350.419 2.130 20 5 FEBDRO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000417170850 559351242 /nfs/dbraw/zinc/35/12/42/559351242.db2.gz DANSPBLDWFVIRE-UHFFFAOYSA-N 1 0 350.419 2.277 20 5 FEBDRO CS(=O)(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417304429 559356614 /nfs/dbraw/zinc/35/66/14/559356614.db2.gz CDGSPDPVUSSVCZ-SUMWQHHRSA-N 1 0 367.471 2.233 20 5 FEBDRO CO[C@@H]1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000417718198 559373843 /nfs/dbraw/zinc/37/38/43/559373843.db2.gz NXUZJYUMNNZKQS-DLBZAZTESA-N 1 0 364.446 2.065 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417994390 559385564 /nfs/dbraw/zinc/38/55/64/559385564.db2.gz QWFQIIXQMYPDRD-CHWSQXEVSA-N 1 0 352.822 2.042 20 5 FEBDRO C[C@@]1(C[NH3+])CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000418098082 559389993 /nfs/dbraw/zinc/38/99/93/559389993.db2.gz ZBASUXGUIFABMK-AWEZNQCLSA-N 1 0 360.336 2.494 20 5 FEBDRO [NH3+][C@H](CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000418456105 559402302 /nfs/dbraw/zinc/40/23/02/559402302.db2.gz SHWSCHNCUPUVMU-GOSISDBHSA-N 1 0 369.425 2.126 20 5 FEBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+]1CCCC1 ZINC000419374568 559439941 /nfs/dbraw/zinc/43/99/41/559439941.db2.gz LDKWBXPKYUIVKA-UHFFFAOYSA-N 1 0 360.458 2.290 20 5 FEBDRO Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420258407 559477927 /nfs/dbraw/zinc/47/79/27/559477927.db2.gz KZHYIGKQSAQNSK-LBPRGKRZSA-N 1 0 358.364 2.406 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420274010 559478273 /nfs/dbraw/zinc/47/82/73/559478273.db2.gz OJINFSFDIQBKQF-DOMZBBRYSA-N 1 0 350.419 2.134 20 5 FEBDRO [NH3+][C@@H]1CCC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000420317301 559480024 /nfs/dbraw/zinc/48/00/24/559480024.db2.gz ZIIZUFNZFHVAGL-ZKYQVNSYSA-N 1 0 352.822 2.246 20 5 FEBDRO COc1ccc(NC(=O)CN2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420331375 559480955 /nfs/dbraw/zinc/48/09/55/559480955.db2.gz BVFJTOPKTVCNPK-OAHLLOKOSA-N 1 0 362.430 2.006 20 5 FEBDRO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc(F)ccc2CN1 ZINC000420457544 559488537 /nfs/dbraw/zinc/48/85/37/559488537.db2.gz ISMURJAEHQMAQN-LLVKDONJSA-N 1 0 365.386 2.421 20 5 FEBDRO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000420467902 559489139 /nfs/dbraw/zinc/48/91/39/559489139.db2.gz TUTSSPUWSMQCPW-OAHLLOKOSA-N 1 0 363.439 2.444 20 5 FEBDRO CCN1CCC([N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000420624982 559494203 /nfs/dbraw/zinc/49/42/03/559494203.db2.gz JXODJRYGFHJEMF-UHFFFAOYSA-N 1 0 372.473 2.468 20 5 FEBDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925185 559511782 /nfs/dbraw/zinc/51/17/82/559511782.db2.gz LDESIADTFBJDSY-KGLIPLIRSA-N 1 0 365.430 2.199 20 5 FEBDRO CCCN1C[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421350522 559539957 /nfs/dbraw/zinc/53/99/57/559539957.db2.gz LBMLMILSMYGRNF-KBPBESRZSA-N 1 0 362.430 2.160 20 5 FEBDRO CCCN1C[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355333 559540055 /nfs/dbraw/zinc/54/00/55/559540055.db2.gz UGSOWHDRXDHLCD-ZIAGYGMSSA-N 1 0 362.430 2.160 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421775551 559553077 /nfs/dbraw/zinc/55/30/77/559553077.db2.gz XQQMYLHSKFGIKT-CQSZACIVSA-N 1 0 362.474 2.215 20 5 FEBDRO COC1([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421843669 559554928 /nfs/dbraw/zinc/55/49/28/559554928.db2.gz RCYAJWNOMKVRCQ-CYBMUJFWSA-N 1 0 356.444 2.306 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000422239114 559572988 /nfs/dbraw/zinc/57/29/88/559572988.db2.gz SLFFSXDXECOTCP-OAHLLOKOSA-N 1 0 363.462 2.441 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000423418082 559628502 /nfs/dbraw/zinc/62/85/02/559628502.db2.gz UDNMSVQJDARUAL-DOMZBBRYSA-N 1 0 355.398 2.336 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000423640583 559634691 /nfs/dbraw/zinc/63/46/91/559634691.db2.gz VYHWKAORNRNWDQ-INIZCTEOSA-N 1 0 353.444 2.205 20 5 FEBDRO COc1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000424042836 559652494 /nfs/dbraw/zinc/65/24/94/559652494.db2.gz LTDCVGLBPHGRMA-UHFFFAOYSA-N 1 0 359.426 2.487 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)NC(C)(C)CC[NH3+])cc2)c(C)c1[N+](=O)[O-] ZINC000424047263 559652563 /nfs/dbraw/zinc/65/25/63/559652563.db2.gz NLVDDNWDNPBZPP-UHFFFAOYSA-N 1 0 359.430 2.314 20 5 FEBDRO COc1cc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1OC ZINC000424232251 559658875 /nfs/dbraw/zinc/65/88/75/559658875.db2.gz HAKBVAXNBYJDNM-LBPRGKRZSA-N 1 0 363.414 2.216 20 5 FEBDRO COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000425478634 559704589 /nfs/dbraw/zinc/70/45/89/559704589.db2.gz CNUDAJJXFWPFSZ-CQSZACIVSA-N 1 0 364.446 2.408 20 5 FEBDRO COc1cc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000427114911 559748292 /nfs/dbraw/zinc/74/82/92/559748292.db2.gz RSSXHKJXHROREV-YPMHNXCESA-N 1 0 371.384 2.431 20 5 FEBDRO COc1cc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000427114909 559748324 /nfs/dbraw/zinc/74/83/24/559748324.db2.gz RSSXHKJXHROREV-DGCLKSJQSA-N 1 0 371.384 2.431 20 5 FEBDRO C[C@H]1CCCN(c2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2[N+](=O)[O-])C1 ZINC000427617573 559758865 /nfs/dbraw/zinc/75/88/65/559758865.db2.gz IJDKXAGMMOUYFA-AWEZNQCLSA-N 1 0 358.442 2.481 20 5 FEBDRO O=C(N[C@H]1CCn2ccnc2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000428361891 559773934 /nfs/dbraw/zinc/77/39/34/559773934.db2.gz NAFIFGQPMQJDAI-AWEZNQCLSA-N 1 0 355.398 2.136 20 5 FEBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000429579433 559802002 /nfs/dbraw/zinc/80/20/02/559802002.db2.gz WWXWYSIKGCHXJK-QMTHXVAHSA-N 1 0 360.418 2.486 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCCC[C@@H]2[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000430618582 559824964 /nfs/dbraw/zinc/82/49/64/559824964.db2.gz VKRRLHFWZWWGAP-SWLSCSKDSA-N 1 0 350.419 2.134 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000430640036 559825509 /nfs/dbraw/zinc/82/55/09/559825509.db2.gz JFSGOOKUYDPPLZ-AWEZNQCLSA-N 1 0 351.403 2.120 20 5 FEBDRO COc1ccc(NC(=O)CN2CC[NH2+]CC23CCCCC3)c([N+](=O)[O-])c1 ZINC000431065361 559833320 /nfs/dbraw/zinc/83/33/20/559833320.db2.gz INLMXEPMKZYOMH-UHFFFAOYSA-N 1 0 362.430 2.150 20 5 FEBDRO COC(=O)COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000432786036 559865042 /nfs/dbraw/zinc/86/50/42/559865042.db2.gz BEGXHJBNNHQFSE-OAHLLOKOSA-N 1 0 365.430 2.063 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CCO[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000433206101 559873731 /nfs/dbraw/zinc/87/37/31/559873731.db2.gz GMVWKRGOLYEFEH-XIKOKIGWSA-N 1 0 362.382 2.493 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000435432752 559922889 /nfs/dbraw/zinc/92/28/89/559922889.db2.gz KJFNCFBIYPRKOT-AWEZNQCLSA-N 1 0 355.460 2.308 20 5 FEBDRO CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435613413 559926150 /nfs/dbraw/zinc/92/61/50/559926150.db2.gz JSHSTQWBZOXMEP-CYBMUJFWSA-N 1 0 350.419 2.006 20 5 FEBDRO Cc1cc(OCC(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801730 559930344 /nfs/dbraw/zinc/93/03/44/559930344.db2.gz UYQNHMOIYDQBOP-ROUUACIJSA-N 1 0 369.421 2.496 20 5 FEBDRO O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436863125 559954770 /nfs/dbraw/zinc/95/47/70/559954770.db2.gz SANCVNSFWAPYEQ-UHFFFAOYSA-N 1 0 363.414 2.065 20 5 FEBDRO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000440403547 560010391 /nfs/dbraw/zinc/01/03/91/560010391.db2.gz FIXZNQXUDSBQBP-XVKPBYJWSA-N 1 0 368.242 2.259 20 5 FEBDRO C[NH+](C)C1(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000443698043 560090564 /nfs/dbraw/zinc/09/05/64/560090564.db2.gz ZEFAFSPCOZTGID-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000447245996 560158690 /nfs/dbraw/zinc/15/86/90/560158690.db2.gz OAURAKFHYGVHBG-YUMQZZPRSA-N 1 0 368.242 2.259 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000447513561 560163592 /nfs/dbraw/zinc/16/35/92/560163592.db2.gz XIDRACDLFPZQRS-YVEFUNNKSA-N 1 0 371.441 2.327 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOC[C@@H]2CCOC2)n1 ZINC000447538111 560164148 /nfs/dbraw/zinc/16/41/48/560164148.db2.gz ALFLZYNKOZOBJT-HRCADAONSA-N 1 0 352.435 2.308 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725661 560196639 /nfs/dbraw/zinc/19/66/39/560196639.db2.gz PORBUDDADREOKL-DZGCQCFKSA-N 1 0 355.398 2.342 20 5 FEBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725664 560196645 /nfs/dbraw/zinc/19/66/45/560196645.db2.gz PORBUDDADREOKL-ZFWWWQNUSA-N 1 0 355.398 2.342 20 5 FEBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000448933040 560207403 /nfs/dbraw/zinc/20/74/03/560207403.db2.gz NMOBSPDADPSFLX-INIZCTEOSA-N 1 0 369.425 2.481 20 5 FEBDRO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448932455 560207488 /nfs/dbraw/zinc/20/74/88/560207488.db2.gz JATISFMYBVLPCZ-LBPRGKRZSA-N 1 0 351.378 2.443 20 5 FEBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000449098613 560215889 /nfs/dbraw/zinc/21/58/89/560215889.db2.gz KFWOQKDFYLZESX-CQSZACIVSA-N 1 0 363.439 2.094 20 5 FEBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000449190999 560219444 /nfs/dbraw/zinc/21/94/44/560219444.db2.gz RUYCAMMBDNBLGL-ZDUSSCGKSA-N 1 0 367.471 2.072 20 5 FEBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449461088 560231091 /nfs/dbraw/zinc/23/10/91/560231091.db2.gz SHGJXKVMRYJOQB-DJIMGWMZSA-N 1 0 360.414 2.059 20 5 FEBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449463134 560231124 /nfs/dbraw/zinc/23/11/24/560231124.db2.gz WNEXJQBMUCNUHW-WMLDXEAASA-N 1 0 360.414 2.136 20 5 FEBDRO [NH3+]CC[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(F)F ZINC000449631511 560235065 /nfs/dbraw/zinc/23/50/65/560235065.db2.gz WNHKPRZYIRVACH-MRVPVSSYSA-N 1 0 352.135 2.070 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000449634430 560235079 /nfs/dbraw/zinc/23/50/79/560235079.db2.gz AIDGZONSHSEXLN-NWDGAFQWSA-N 1 0 351.403 2.249 20 5 FEBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449722143 560238211 /nfs/dbraw/zinc/23/82/11/560238211.db2.gz PJWDUAJDVCNEIM-KWQFWETISA-N 1 0 351.350 2.471 20 5 FEBDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449761049 560239189 /nfs/dbraw/zinc/23/91/89/560239189.db2.gz UFURWEVWRLIALX-AWEZNQCLSA-N 1 0 352.387 2.148 20 5 FEBDRO C[NH+](C)C[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC000449883081 560244094 /nfs/dbraw/zinc/24/40/94/560244094.db2.gz YGDCQQGYQFWYCL-NSHDSACASA-N 1 0 361.320 2.016 20 5 FEBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152968 560252310 /nfs/dbraw/zinc/25/23/10/560252310.db2.gz RQZRSXDDZZLIAF-GTNSWQLSSA-N 1 0 355.398 2.197 20 5 FEBDRO COC(=O)Cc1ccc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450245030 560255380 /nfs/dbraw/zinc/25/53/80/560255380.db2.gz QPQDDDUVMBXVQK-OKILXGFUSA-N 1 0 365.430 2.222 20 5 FEBDRO COCC[N@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450417400 560261728 /nfs/dbraw/zinc/26/17/28/560261728.db2.gz JIFBFBUKIIJKFM-UHFFFAOYSA-N 1 0 351.451 2.268 20 5 FEBDRO CCCN(CCN1CC[NH+](CC)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450531330 560265300 /nfs/dbraw/zinc/26/53/00/560265300.db2.gz HUKNYOGXHVDUHL-UHFFFAOYSA-N 1 0 360.462 2.325 20 5 FEBDRO CCOc1cc(N2CC[NH+](CC3(C(=O)OC)CC3)CC2)ccc1[N+](=O)[O-] ZINC000450891842 560277039 /nfs/dbraw/zinc/27/70/39/560277039.db2.gz LRPPPMLGZMQJRX-UHFFFAOYSA-N 1 0 363.414 2.069 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451339743 560301269 /nfs/dbraw/zinc/30/12/69/560301269.db2.gz JSNXOHOXROWSQA-NXWXRZEISA-N 1 0 364.442 2.350 20 5 FEBDRO O=C1[C@H]([N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419598 560305859 /nfs/dbraw/zinc/30/58/59/560305859.db2.gz LSICWUSEHOBQGH-BRSBDYLESA-N 1 0 359.426 2.326 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000451486735 560309928 /nfs/dbraw/zinc/30/99/28/560309928.db2.gz DSVISAKPLHDAQE-CABCVRRESA-N 1 0 351.403 2.335 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563102 560314970 /nfs/dbraw/zinc/31/49/70/560314970.db2.gz JORYWBQPOJIWHQ-WQGACYEGSA-N 1 0 351.403 2.287 20 5 FEBDRO O=C1[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451606516 560317211 /nfs/dbraw/zinc/31/72/11/560317211.db2.gz LSCFIZFZICQXPT-RCCFBDPRSA-N 1 0 359.426 2.087 20 5 FEBDRO CO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845652 560332044 /nfs/dbraw/zinc/33/20/44/560332044.db2.gz ITQOLMIEAJCNRA-IAOVAPTHSA-N 1 0 350.415 2.224 20 5 FEBDRO CC[C@H]1CN(CC)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451930589 560338287 /nfs/dbraw/zinc/33/82/87/560338287.db2.gz JREBAPLUYDOGMP-LBPRGKRZSA-N 1 0 361.851 2.353 20 5 FEBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452386280 560362473 /nfs/dbraw/zinc/36/24/73/560362473.db2.gz WQCKOJGTWWMTSS-SJORKVTESA-N 1 0 363.458 2.127 20 5 FEBDRO O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000453576797 560389322 /nfs/dbraw/zinc/38/93/22/560389322.db2.gz NNGXWUPSYWUYGH-UHFFFAOYSA-N 1 0 354.370 2.295 20 5 FEBDRO CC[C@H]1CN(CC)CCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453987989 560419826 /nfs/dbraw/zinc/41/98/26/560419826.db2.gz ZLDRHJUNYCMXEV-AWEZNQCLSA-N 1 0 362.430 2.093 20 5 FEBDRO CNc1nc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456014082 560504511 /nfs/dbraw/zinc/50/45/11/560504511.db2.gz VWIWIXVGDKODJK-STQMWFEESA-N 1 0 361.446 2.414 20 5 FEBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000456210851 560511310 /nfs/dbraw/zinc/51/13/10/560511310.db2.gz WZYMUMNJOWWXOE-UHFFFAOYSA-N 1 0 360.418 2.026 20 5 FEBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000456579740 560524885 /nfs/dbraw/zinc/52/48/85/560524885.db2.gz GXEPYQJKKVEAMU-UHFFFAOYSA-N 1 0 367.471 2.283 20 5 FEBDRO Cc1cc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000458214508 560609585 /nfs/dbraw/zinc/60/95/85/560609585.db2.gz PCKGJTBMJIJVNT-UHFFFAOYSA-N 1 0 360.370 2.197 20 5 FEBDRO C[N@H+](CCCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000458703616 560641943 /nfs/dbraw/zinc/64/19/43/560641943.db2.gz IBOGKKHEUARWSX-UHFFFAOYSA-N 1 0 360.418 2.145 20 5 FEBDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000458886737 560654149 /nfs/dbraw/zinc/65/41/49/560654149.db2.gz HVNHIFPXBRUENM-WMLDXEAASA-N 1 0 364.446 2.408 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000459744235 560705829 /nfs/dbraw/zinc/70/58/29/560705829.db2.gz DQMGJICKDVOLEC-UVBJJODRSA-N 1 0 363.414 2.478 20 5 FEBDRO COC(=O)COc1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000461210064 560764131 /nfs/dbraw/zinc/76/41/31/560764131.db2.gz ZGGYVRISXQIVHQ-UHFFFAOYSA-N 1 0 371.393 3.033 20 5 FEBDRO CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000461611454 560776639 /nfs/dbraw/zinc/77/66/39/560776639.db2.gz SOZYMYJJYRCJLF-CYBMUJFWSA-N 1 0 355.460 2.448 20 5 FEBDRO Cc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461788635 560783524 /nfs/dbraw/zinc/78/35/24/560783524.db2.gz YASCDDBRKLJKSB-HNNXBMFYSA-N 1 0 352.410 2.397 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000464775278 560850703 /nfs/dbraw/zinc/85/07/03/560850703.db2.gz RHAYYYNCQVYICP-KGLIPLIRSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc(CSCC(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000464932838 560855312 /nfs/dbraw/zinc/85/53/12/560855312.db2.gz DUZUZNOGPNNLAW-AWEZNQCLSA-N 1 0 367.471 2.389 20 5 FEBDRO C[NH+](C)CCc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000466846573 560897326 /nfs/dbraw/zinc/89/73/26/560897326.db2.gz PMZYGHUTDISGHF-UHFFFAOYSA-N 1 0 363.439 2.177 20 5 FEBDRO CCOc1ccc(NC(=O)CN(CC[NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000466991857 560901081 /nfs/dbraw/zinc/90/10/81/560901081.db2.gz LHNVMFIPYVUZPG-UHFFFAOYSA-N 1 0 372.425 2.393 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000467692584 560915082 /nfs/dbraw/zinc/91/50/82/560915082.db2.gz UFVKASSTOJLVEU-JSGCOSHPSA-N 1 0 356.382 2.088 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H](CCO)c1ccco1 ZINC000469512025 560956811 /nfs/dbraw/zinc/95/68/11/560956811.db2.gz LUKCCPGOKTYACW-ZDUSSCGKSA-N 1 0 361.354 2.199 20 5 FEBDRO CC(C)(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000471296254 561002096 /nfs/dbraw/zinc/00/20/96/561002096.db2.gz FYNPFEQOCVOPPD-INIZCTEOSA-N 1 0 371.441 2.165 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000471388362 561003739 /nfs/dbraw/zinc/00/37/39/561003739.db2.gz OFKJMCLPDBJOER-IYBDPMFKSA-N 1 0 369.425 2.015 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC([NH+]2CCCC2)CC1 ZINC000472344003 561024829 /nfs/dbraw/zinc/02/48/29/561024829.db2.gz BGYYMOYRHAWHRJ-UHFFFAOYSA-N 1 0 374.485 2.492 20 5 FEBDRO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000472559880 561029238 /nfs/dbraw/zinc/02/92/38/561029238.db2.gz HWEPMXTWSQBIKP-NWDGAFQWSA-N 1 0 366.393 2.052 20 5 FEBDRO CC(C)[NH+](CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000472611819 561031003 /nfs/dbraw/zinc/03/10/03/561031003.db2.gz HBLZGMSZFFAHQX-UHFFFAOYSA-N 1 0 368.409 2.298 20 5 FEBDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000473509351 561051514 /nfs/dbraw/zinc/05/15/14/561051514.db2.gz CZOWOWORCGYSQS-UHFFFAOYSA-N 1 0 360.336 2.458 20 5 FEBDRO Cc1cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000473786402 561057661 /nfs/dbraw/zinc/05/76/61/561057661.db2.gz RYPBHRRLPWRNRV-SJORKVTESA-N 1 0 362.430 2.403 20 5 FEBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000473995454 561063064 /nfs/dbraw/zinc/06/30/64/561063064.db2.gz LIJWBYPOUZLUKA-DZGCQCFKSA-N 1 0 352.387 2.194 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000474011368 561063505 /nfs/dbraw/zinc/06/35/05/561063505.db2.gz QFTLEDRBYSHEMT-SECBINFHSA-N 1 0 350.293 2.435 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000474022058 561063762 /nfs/dbraw/zinc/06/37/62/561063762.db2.gz VLCDIZXMHUGTGX-UHFFFAOYSA-N 1 0 371.397 2.030 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000474025121 561063826 /nfs/dbraw/zinc/06/38/26/561063826.db2.gz ZYLXVEXAKYXXDH-LLVKDONJSA-N 1 0 365.411 2.496 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000474190697 561067994 /nfs/dbraw/zinc/06/79/94/561067994.db2.gz RCOUXRYDKHDVHI-LBPRGKRZSA-N 1 0 353.448 2.241 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000474343913 561071640 /nfs/dbraw/zinc/07/16/40/561071640.db2.gz FSBXZYGRNCWQLH-GFCCVEGCSA-N 1 0 352.387 2.051 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000474342501 561071665 /nfs/dbraw/zinc/07/16/65/561071665.db2.gz PZHJROKTUBQYCN-UHFFFAOYSA-N 1 0 374.349 2.165 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000474345179 561071692 /nfs/dbraw/zinc/07/16/92/561071692.db2.gz ACUOAQISBXNOML-UHFFFAOYSA-N 1 0 360.366 2.185 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000474375403 561072534 /nfs/dbraw/zinc/07/25/34/561072534.db2.gz UEBDTZBPMPWSHD-AWEZNQCLSA-N 1 0 365.430 2.111 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000474553937 561076603 /nfs/dbraw/zinc/07/66/03/561076603.db2.gz APUJQMGLMBOMCO-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO C[NH+](C)CCOC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000474787247 561082820 /nfs/dbraw/zinc/08/28/20/561082820.db2.gz GUHFZCZEWQATOE-UHFFFAOYSA-N 1 0 373.251 2.299 20 5 FEBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000474818522 561083520 /nfs/dbraw/zinc/08/35/20/561083520.db2.gz UBPDAJLGHDVHIS-UHFFFAOYSA-N 1 0 374.441 2.487 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476657818 561125425 /nfs/dbraw/zinc/12/54/25/561125425.db2.gz MHQMJEBSPNXNCD-ZFWWWQNUSA-N 1 0 357.414 2.111 20 5 FEBDRO CNc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000530882329 562427252 /nfs/dbraw/zinc/42/72/52/562427252.db2.gz HSYBSLBPVZNBNJ-UHFFFAOYSA-N 1 0 369.425 2.426 20 5 FEBDRO COc1cc(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291431 562440936 /nfs/dbraw/zinc/44/09/36/562440936.db2.gz XRPWUTUXBLSYPR-BETUJISGSA-N 1 0 365.430 2.144 20 5 FEBDRO CC[C@H](C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000532187040 562470262 /nfs/dbraw/zinc/47/02/62/562470262.db2.gz FXNBJXUPOXKKDZ-GFCCVEGCSA-N 1 0 362.352 2.482 20 5 FEBDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000532719433 562486708 /nfs/dbraw/zinc/48/67/08/562486708.db2.gz IUYMCLPIXZCMCB-LBPRGKRZSA-N 1 0 358.464 2.165 20 5 FEBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000532809675 562489772 /nfs/dbraw/zinc/48/97/72/562489772.db2.gz NQVJMQWIXFQNDV-NSHDSACASA-N 1 0 368.411 2.386 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000535229993 562553529 /nfs/dbraw/zinc/55/35/29/562553529.db2.gz IIJRPRZYXYFSQS-SJPCQFCGSA-N 1 0 372.469 2.286 20 5 FEBDRO COc1cc(C[NH2+]CCc2ccn(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000545560368 562629021 /nfs/dbraw/zinc/62/90/21/562629021.db2.gz MYFVQLLBJSVQQT-UHFFFAOYSA-N 1 0 370.356 2.313 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000555903270 674380668 /nfs/dbraw/zinc/38/06/68/674380668.db2.gz HJKRCFGVMJYPAM-BXUZGUMPSA-N 1 0 352.391 2.118 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccc2c1CCOC2 ZINC000601968199 567889791 /nfs/dbraw/zinc/88/97/91/567889791.db2.gz IYAFWVPIKKOYLE-MRXNPFEDSA-N 1 0 358.394 2.197 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000569222483 568311785 /nfs/dbraw/zinc/31/17/85/568311785.db2.gz HSPURWMMWOFSQS-SFHVURJKSA-N 1 0 354.410 2.400 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000569340478 568395369 /nfs/dbraw/zinc/39/53/69/568395369.db2.gz NBWVKUVQWBMSCE-CABCVRRESA-N 1 0 367.471 2.222 20 5 FEBDRO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000570927234 568720632 /nfs/dbraw/zinc/72/06/32/568720632.db2.gz VLPTVGWMGLWFSH-HTQZYQBOSA-N 1 0 355.338 2.018 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738370380 598469239 /nfs/dbraw/zinc/46/92/39/598469239.db2.gz PGMLXTXPWDSNDY-CQSZACIVSA-N 1 0 357.418 2.230 20 5 FEBDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1ncc([N+](=O)[O-])s1 ZINC000557692010 674461389 /nfs/dbraw/zinc/46/13/89/674461389.db2.gz HONWFANWXITOFM-UHFFFAOYSA-N 1 0 361.471 2.305 20 5 FEBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821180703 599498101 /nfs/dbraw/zinc/49/81/01/599498101.db2.gz GAXQXCBOZHMXBN-LLVKDONJSA-N 1 0 370.417 2.465 20 5 FEBDRO CCCC[N@H+](C)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821062596 599553213 /nfs/dbraw/zinc/55/32/13/599553213.db2.gz YXUHCLONNYREKT-UHFFFAOYSA-N 1 0 370.417 2.467 20 5 FEBDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000558227343 674488700 /nfs/dbraw/zinc/48/87/00/674488700.db2.gz KIGLQNZJCZIPTQ-HUUCEWRRSA-N 1 0 355.460 2.287 20 5 FEBDRO Cn1ncc(Br)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734540 674507670 /nfs/dbraw/zinc/50/76/70/674507670.db2.gz GYAMQUFNYTWIML-UHFFFAOYSA-N 1 0 354.208 2.056 20 5 FEBDRO C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000558788740 674516220 /nfs/dbraw/zinc/51/62/20/674516220.db2.gz BBTUPKVKZKLQGK-CQSZACIVSA-N 1 0 363.439 2.442 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000809970738 674522654 /nfs/dbraw/zinc/52/26/54/674522654.db2.gz KGZVRSJYRIDSRT-QGZVFWFLSA-N 1 0 352.410 2.335 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240100 606730468 /nfs/dbraw/zinc/73/04/68/606730468.db2.gz DXRVEBSVUJVGMY-MEBBXXQBSA-N 1 0 368.401 2.075 20 5 FEBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452085 608371039 /nfs/dbraw/zinc/37/10/39/608371039.db2.gz NAJPWPRWIFVIIV-LLVKDONJSA-N 1 0 368.401 2.219 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000824569368 608487020 /nfs/dbraw/zinc/48/70/20/608487020.db2.gz HJCFDIXCFQSYFW-MEDUHNTESA-N 1 0 354.370 2.159 20 5 FEBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000562507480 674763853 /nfs/dbraw/zinc/76/38/53/674763853.db2.gz UQWIYXBHGGTBEZ-UHFFFAOYSA-N 1 0 352.387 2.340 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000563754174 674935814 /nfs/dbraw/zinc/93/58/14/674935814.db2.gz KUPMZKUFNAKIHV-XJKSGUPXSA-N 1 0 355.460 2.229 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c1 ZINC000564205252 674983975 /nfs/dbraw/zinc/98/39/75/674983975.db2.gz XSRXAYBVBVMKAZ-CQSZACIVSA-N 1 0 363.805 2.119 20 5 FEBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(F)(F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525183 675008871 /nfs/dbraw/zinc/00/88/71/675008871.db2.gz OJKJZXVQWPKENW-COWZWYNKSA-N 1 0 357.401 2.056 20 5 FEBDRO CSC1(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000564410611 675011730 /nfs/dbraw/zinc/01/17/30/675011730.db2.gz COQKTEYNRSNZIW-UHFFFAOYSA-N 1 0 373.500 2.009 20 5 FEBDRO C[C@H](CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000564845613 675067284 /nfs/dbraw/zinc/06/72/84/675067284.db2.gz UYMNZRJCGVSVNR-OAHLLOKOSA-N 1 0 369.487 2.080 20 5 FEBDRO O=C(CC[N@H+]1CC[C@@H](O)CC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000817290119 675117719 /nfs/dbraw/zinc/11/77/19/675117719.db2.gz HJYXTUGHQXBYEC-CYBMUJFWSA-N 1 0 351.378 2.442 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000083990452 670663591 /nfs/dbraw/zinc/66/35/91/670663591.db2.gz RMIPCNXHOFJYMI-JTQLQIEISA-N 1 0 361.851 2.318 20 5 FEBDRO Cc1cc(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1F ZINC000093020112 670747731 /nfs/dbraw/zinc/74/77/31/670747731.db2.gz HDDJNOOZYZEKOX-UHFFFAOYSA-N 1 0 373.450 2.441 20 5 FEBDRO C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000101572034 670768953 /nfs/dbraw/zinc/76/89/53/670768953.db2.gz SXQKGPQANDSVQK-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO CCc1ccc(S(=O)(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000571203540 670834658 /nfs/dbraw/zinc/83/46/58/670834658.db2.gz YRZIIECNOIKWAX-UHFFFAOYSA-N 1 0 355.460 2.120 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000571313543 670854049 /nfs/dbraw/zinc/85/40/49/670854049.db2.gz GREUOATVLDGZFQ-XWCIJXRUSA-N 1 0 367.471 2.339 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000572595628 671021460 /nfs/dbraw/zinc/02/14/60/671021460.db2.gz RDRFIPHIMRYLSO-TYNCELHUSA-N 1 0 354.769 2.090 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000573137493 671087336 /nfs/dbraw/zinc/08/73/36/671087336.db2.gz OYYKEVKMGQGZLK-INIZCTEOSA-N 1 0 365.455 2.128 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000573323398 671109253 /nfs/dbraw/zinc/10/92/53/671109253.db2.gz GUOISVHJSBOMGN-GDBMZVCRSA-N 1 0 367.471 2.310 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000574007915 671191508 /nfs/dbraw/zinc/19/15/08/671191508.db2.gz KHAGYVXNQKUBPW-UHFFFAOYSA-N 1 0 360.435 2.373 20 5 FEBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566112256 675182016 /nfs/dbraw/zinc/18/20/16/675182016.db2.gz LTBKTBRSQMFSEF-RKVPGOIHSA-N 1 0 352.431 2.375 20 5 FEBDRO Cc1sc(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1[N+](=O)[O-] ZINC000574518142 671249413 /nfs/dbraw/zinc/24/94/13/671249413.db2.gz VJKAXHAZAHCVPA-OCCSQVGLSA-N 1 0 353.444 2.323 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000574912700 671285840 /nfs/dbraw/zinc/28/58/40/671285840.db2.gz SWFVZGNWPKPBKR-CQSZACIVSA-N 1 0 352.337 2.445 20 5 FEBDRO Cc1c(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818009580 675190349 /nfs/dbraw/zinc/19/03/49/675190349.db2.gz WHEDKQAKIVIZOV-SKDRFNHKSA-N 1 0 350.375 2.177 20 5 FEBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000818010227 675190661 /nfs/dbraw/zinc/19/06/61/675190661.db2.gz JSLUBWUVFLSISA-ZBFHGGJFSA-N 1 0 351.378 2.092 20 5 FEBDRO Cc1cc(Cl)ccc1OCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576148948 671347262 /nfs/dbraw/zinc/34/72/62/671347262.db2.gz BNPKUKVAVMASMU-OAHLLOKOSA-N 1 0 368.821 2.173 20 5 FEBDRO Cc1cc(Cl)ccc1OCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576148947 671347349 /nfs/dbraw/zinc/34/73/49/671347349.db2.gz BNPKUKVAVMASMU-HNNXBMFYSA-N 1 0 368.821 2.173 20 5 FEBDRO Cc1nn(CCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812492 675904645 /nfs/dbraw/zinc/90/46/45/675904645.db2.gz QRQZGBUUFPCCMD-OLZOCXBDSA-N 1 0 351.451 2.035 20 5 FEBDRO Cc1nn(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812494 675904651 /nfs/dbraw/zinc/90/46/51/675904651.db2.gz QRQZGBUUFPCCMD-QWHCGFSZSA-N 1 0 351.451 2.035 20 5 FEBDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269179 675916235 /nfs/dbraw/zinc/91/62/35/675916235.db2.gz MRAHZVQRRPHLGE-KBPBESRZSA-N 1 0 367.471 2.302 20 5 FEBDRO O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609563954 675926419 /nfs/dbraw/zinc/92/64/19/675926419.db2.gz JTEUMLYLTLDFPI-UHFFFAOYSA-N 1 0 352.460 2.404 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CC[NH+](CC)CC1 ZINC000578007963 671634326 /nfs/dbraw/zinc/63/43/26/671634326.db2.gz DXIAFUOVMKWMLN-UHFFFAOYSA-N 1 0 355.460 2.167 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000578258531 671652188 /nfs/dbraw/zinc/65/21/88/671652188.db2.gz SWYSMHOVZOJFAT-UHFFFAOYSA-N 1 0 363.384 2.328 20 5 FEBDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578906219 671697846 /nfs/dbraw/zinc/69/78/46/671697846.db2.gz LGEDPRCSJQWJHD-MAZHCROVSA-N 1 0 367.471 2.280 20 5 FEBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579102578 671712158 /nfs/dbraw/zinc/71/21/58/671712158.db2.gz JTNZRKVOFHIEJO-MRXNPFEDSA-N 1 0 369.487 2.079 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000579562611 671744923 /nfs/dbraw/zinc/74/49/23/671744923.db2.gz XJNQHARWMVIJQM-CQSZACIVSA-N 1 0 350.419 2.099 20 5 FEBDRO CC[C@@H](CSc1ccccc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581127471 671866398 /nfs/dbraw/zinc/86/63/98/671866398.db2.gz VDZKGSKHEGCWPG-DZGCQCFKSA-N 1 0 350.444 2.313 20 5 FEBDRO Cc1n[nH]c(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000581326241 671885316 /nfs/dbraw/zinc/88/53/16/671885316.db2.gz JHXMWLJMOKOCFE-GFCCVEGCSA-N 1 0 365.821 2.355 20 5 FEBDRO COCCOC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000581438778 671897125 /nfs/dbraw/zinc/89/71/25/671897125.db2.gz ARUYKWSXCLOIPC-MRXNPFEDSA-N 1 0 350.415 2.384 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000581477864 671901309 /nfs/dbraw/zinc/90/13/09/671901309.db2.gz IJJXZPLOGNVEAD-HNNXBMFYSA-N 1 0 350.419 2.051 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119590984 671902866 /nfs/dbraw/zinc/90/28/66/671902866.db2.gz XPRUTKQNVHXVBA-RYUDHWBXSA-N 1 0 361.489 2.303 20 5 FEBDRO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000119736410 671906979 /nfs/dbraw/zinc/90/69/79/671906979.db2.gz ANQSTRJEHWBXON-LBPRGKRZSA-N 1 0 359.473 2.295 20 5 FEBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000610336056 675967128 /nfs/dbraw/zinc/96/71/28/675967128.db2.gz SPSSTYGKTCUCJT-OAHLLOKOSA-N 1 0 352.822 2.373 20 5 FEBDRO Cc1c(C(=O)NCC[NH+]2CCCCC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126241207 672022179 /nfs/dbraw/zinc/02/21/79/672022179.db2.gz ZESZRCDPVSSXHS-UHFFFAOYSA-N 1 0 350.375 2.336 20 5 FEBDRO CSc1ccc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000583115956 672064572 /nfs/dbraw/zinc/06/45/72/672064572.db2.gz INBRMUNQWVUKMS-UHFFFAOYSA-N 1 0 368.503 2.272 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)C1 ZINC000583871299 672134037 /nfs/dbraw/zinc/13/40/37/672134037.db2.gz ZHHGVIZIJATSBA-GDBMZVCRSA-N 1 0 351.378 2.092 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H](C)O1 ZINC000136227119 672137894 /nfs/dbraw/zinc/13/78/94/672137894.db2.gz FEGYWCIHJSTMQG-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO CCC[N@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584260687 672170661 /nfs/dbraw/zinc/17/06/61/672170661.db2.gz QGZQSGVYDBTKFJ-UHFFFAOYSA-N 1 0 364.183 2.404 20 5 FEBDRO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000584586445 672202478 /nfs/dbraw/zinc/20/24/78/672202478.db2.gz ZCQIXPIONDGUPB-UHFFFAOYSA-N 1 0 363.439 2.331 20 5 FEBDRO Cc1cc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1F ZINC000154261022 672213287 /nfs/dbraw/zinc/21/32/87/672213287.db2.gz UWRUVWXHVDLRON-UHFFFAOYSA-N 1 0 373.450 2.443 20 5 FEBDRO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000585696619 672225817 /nfs/dbraw/zinc/22/58/17/672225817.db2.gz TYOJFJXXWZBBGW-UHFFFAOYSA-N 1 0 356.220 2.491 20 5 FEBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000610733444 675992565 /nfs/dbraw/zinc/99/25/65/675992565.db2.gz IHJACFRXSVNGOY-AWEZNQCLSA-N 1 0 353.444 2.373 20 5 FEBDRO C[N@@H+]1CCC[C@H](N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000586767535 672432130 /nfs/dbraw/zinc/43/21/30/672432130.db2.gz OAYRTXWASAECMZ-ZDUSSCGKSA-N 1 0 354.401 2.085 20 5 FEBDRO Cc1c(Br)cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000611072639 676015000 /nfs/dbraw/zinc/01/50/00/676015000.db2.gz PYHHRDUYMOFRJD-NSHDSACASA-N 1 0 356.220 2.490 20 5 FEBDRO CN(C)CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000588858191 672485917 /nfs/dbraw/zinc/48/59/17/672485917.db2.gz QIFUEKHSSFBRLV-UHFFFAOYSA-N 1 0 360.256 2.048 20 5 FEBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204936 676024526 /nfs/dbraw/zinc/02/45/26/676024526.db2.gz BUCLDBPVDICVHY-OLZOCXBDSA-N 1 0 351.403 2.289 20 5 FEBDRO CS(=O)(=O)c1ccc(N(CC[NH3+])CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000589191087 672512562 /nfs/dbraw/zinc/51/25/62/672512562.db2.gz JJOLQHHQKDGPJH-UHFFFAOYSA-N 1 0 355.460 2.344 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000590165381 672563072 /nfs/dbraw/zinc/56/30/72/672563072.db2.gz MWLMOHOMARCUPC-QGZVFWFLSA-N 1 0 367.471 2.318 20 5 FEBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000590387116 672576674 /nfs/dbraw/zinc/57/66/74/672576674.db2.gz FALDCJBGNNSEBY-LBPRGKRZSA-N 1 0 351.378 2.059 20 5 FEBDRO Cc1sc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000590388186 672576728 /nfs/dbraw/zinc/57/67/28/672576728.db2.gz KPNGSEQYVDUHIA-LLVKDONJSA-N 1 0 353.444 2.290 20 5 FEBDRO COC1CC[NH+](CCNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611397510 676035518 /nfs/dbraw/zinc/03/55/18/676035518.db2.gz JHJNLCTZMFWWEU-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO CCc1cnc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000591746368 672707513 /nfs/dbraw/zinc/70/75/13/672707513.db2.gz HMCGTMVIIKVUOA-GFCCVEGCSA-N 1 0 351.428 2.186 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592391185 672796709 /nfs/dbraw/zinc/79/67/09/672796709.db2.gz ZKHAOMVBAZGCQL-GJZGRUSLSA-N 1 0 367.471 2.304 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000592399387 672797571 /nfs/dbraw/zinc/79/75/71/672797571.db2.gz YVXASMGEXIZVTL-QGZVFWFLSA-N 1 0 361.423 2.150 20 5 FEBDRO C[C@H](CSc1ccccc1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045598 672867356 /nfs/dbraw/zinc/86/73/56/672867356.db2.gz JIOXKCXNRXUUAT-UKRRQHHQSA-N 1 0 350.444 2.265 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000593591628 672953013 /nfs/dbraw/zinc/95/30/13/672953013.db2.gz YRAFAFZICUFXTG-AWEZNQCLSA-N 1 0 368.459 2.065 20 5 FEBDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593599389 672954581 /nfs/dbraw/zinc/95/45/81/672954581.db2.gz WIFUPHPUVGPQTR-JKSUJKDBSA-N 1 0 355.460 2.432 20 5 FEBDRO C[NH2+]Cc1ccccc1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000593729573 672983490 /nfs/dbraw/zinc/98/34/90/672983490.db2.gz FNWSHHFAWPRGLK-UHFFFAOYSA-N 1 0 363.439 2.410 20 5 FEBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593911172 673007448 /nfs/dbraw/zinc/00/74/48/673007448.db2.gz FJLQBBPMIDITFB-XHBSWPGZSA-N 1 0 351.378 2.092 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594483236 673087317 /nfs/dbraw/zinc/08/73/17/673087317.db2.gz DKKNWRFFNVFAHC-JKSUJKDBSA-N 1 0 353.444 2.031 20 5 FEBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594484384 673088400 /nfs/dbraw/zinc/08/84/00/673088400.db2.gz QLFMGHWUWJVFQD-ZFWWWQNUSA-N 1 0 353.444 2.198 20 5 FEBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000725849408 673094363 /nfs/dbraw/zinc/09/43/63/673094363.db2.gz MFNVHGHEBWTFKX-UHFFFAOYSA-N 1 0 363.439 2.497 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000594525566 673094995 /nfs/dbraw/zinc/09/49/95/673094995.db2.gz VBELCWZMTXSFQJ-UKRRQHHQSA-N 1 0 359.348 2.435 20 5 FEBDRO Cc1c(Br)cccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594570226 673098812 /nfs/dbraw/zinc/09/88/12/673098812.db2.gz GKKADAUIFAIECR-ZDUSSCGKSA-N 1 0 369.219 2.013 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759168 673132365 /nfs/dbraw/zinc/13/23/65/673132365.db2.gz IPMCAVKRSVHFIG-LBPRGKRZSA-N 1 0 366.443 2.152 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594799818 673146987 /nfs/dbraw/zinc/14/69/87/673146987.db2.gz SBARVDQADIENBO-ZDUSSCGKSA-N 1 0 355.460 2.363 20 5 FEBDRO CO[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1 ZINC000595330330 673225887 /nfs/dbraw/zinc/22/58/87/673225887.db2.gz JHBADRZZMRWDDA-RDTXWAMCSA-N 1 0 350.415 2.490 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595410439 673245782 /nfs/dbraw/zinc/24/57/82/673245782.db2.gz MELZHPCWRBZOAA-HNNXBMFYSA-N 1 0 367.471 2.304 20 5 FEBDRO CC(C)C[NH2+]C1(CO)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000595511637 673259683 /nfs/dbraw/zinc/25/96/83/673259683.db2.gz MPTRKRIVVQJCLY-UHFFFAOYSA-N 1 0 351.447 2.046 20 5 FEBDRO [NH3+]CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000596016662 673348621 /nfs/dbraw/zinc/34/86/21/673348621.db2.gz SUGTZPNFLQVQBS-CYBMUJFWSA-N 1 0 352.410 2.278 20 5 FEBDRO NC(=O)c1cc(NCC2([NH+]3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000596073553 673356088 /nfs/dbraw/zinc/35/60/88/673356088.db2.gz IZVSBFOTBYBQDQ-UHFFFAOYSA-N 1 0 364.471 2.467 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000596537529 673392530 /nfs/dbraw/zinc/39/25/30/673392530.db2.gz HHCLKEKRVCSNEF-LBPRGKRZSA-N 1 0 370.247 2.393 20 5 FEBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000537942771 673414756 /nfs/dbraw/zinc/41/47/56/673414756.db2.gz NZOJTPMWWFGACL-VIKVFOODSA-N 1 0 355.460 2.287 20 5 FEBDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091660 673446091 /nfs/dbraw/zinc/44/60/91/673446091.db2.gz BOYHRRNXPIVKIJ-LLVKDONJSA-N 1 0 371.825 2.063 20 5 FEBDRO O=C(CN1CC[NH+](C2CCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000734152827 673454387 /nfs/dbraw/zinc/45/43/87/673454387.db2.gz VYWJDSKOBITDNR-UHFFFAOYSA-N 1 0 352.822 2.357 20 5 FEBDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000539070330 673472618 /nfs/dbraw/zinc/47/26/18/673472618.db2.gz FDXQFUHJMUWJAP-HOTGVXAUSA-N 1 0 355.460 2.287 20 5 FEBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000597991142 673527490 /nfs/dbraw/zinc/52/74/90/673527490.db2.gz OAHKNGNXOHGBOA-AWEZNQCLSA-N 1 0 361.423 2.153 20 5 FEBDRO C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000540347222 673535469 /nfs/dbraw/zinc/53/54/69/673535469.db2.gz BSXKZYBXVJKPHC-AWEZNQCLSA-N 1 0 350.419 2.067 20 5 FEBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598451912 673571561 /nfs/dbraw/zinc/57/15/61/673571561.db2.gz FQBYZLCXTMCVKH-AWEZNQCLSA-N 1 0 367.833 2.228 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCCC2)c(C)c1[N+](=O)[O-] ZINC000598598686 673587927 /nfs/dbraw/zinc/58/79/27/673587927.db2.gz IOSWDNSZYLMJHB-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598612999 673590527 /nfs/dbraw/zinc/59/05/27/673590527.db2.gz UPXWQWAFQGJKCP-GXTWGEPZSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000598613000 673590547 /nfs/dbraw/zinc/59/05/47/673590547.db2.gz UPXWQWAFQGJKCP-JSGCOSHPSA-N 1 0 355.460 2.172 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)c1[N+](=O)[O-] ZINC000598714910 673602571 /nfs/dbraw/zinc/60/25/71/673602571.db2.gz KFYCLMXEORKFTN-BXUZGUMPSA-N 1 0 355.460 2.350 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000598715282 673602593 /nfs/dbraw/zinc/60/25/93/673602593.db2.gz NXSXHNVIACRXPN-HUUCEWRRSA-N 1 0 367.471 2.364 20 5 FEBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542762665 673603326 /nfs/dbraw/zinc/60/33/26/673603326.db2.gz HLLPZFGGMZOSID-CYBMUJFWSA-N 1 0 354.382 2.308 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598913567 673620786 /nfs/dbraw/zinc/62/07/86/673620786.db2.gz MKNANPQYKADXKP-HIFRSBDPSA-N 1 0 352.366 2.094 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000599072249 673631286 /nfs/dbraw/zinc/63/12/86/673631286.db2.gz HNCAHUTZEXMLER-KCPJHIHWSA-N 1 0 371.459 2.114 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000543681522 673661678 /nfs/dbraw/zinc/66/16/78/673661678.db2.gz HYJBDAMRYABSFA-UHFFFAOYSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412868 673671921 /nfs/dbraw/zinc/67/19/21/673671921.db2.gz PSRIQMBBWMGVTM-LLVKDONJSA-N 1 0 361.851 2.258 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000599416910 673673053 /nfs/dbraw/zinc/67/30/53/673673053.db2.gz YOBMSLTUXNSLQK-CQSZACIVSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])c1 ZINC000599625971 673698767 /nfs/dbraw/zinc/69/87/67/673698767.db2.gz ROUDOSSJVKHVNH-JJHQXXDFSA-N 1 0 351.403 2.334 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000544660462 673724157 /nfs/dbraw/zinc/72/41/57/673724157.db2.gz REPOZIHPRBMRMA-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743387603 673758295 /nfs/dbraw/zinc/75/82/95/673758295.db2.gz LIAIWGZUGHUSTJ-NSHDSACASA-N 1 0 360.256 2.175 20 5 FEBDRO COc1ccc(OCCN2CCCC[C@@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000743846736 673773710 /nfs/dbraw/zinc/77/37/10/673773710.db2.gz VRBDDGMUYBAIOP-CQSZACIVSA-N 1 0 352.387 2.210 20 5 FEBDRO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000546093759 673791571 /nfs/dbraw/zinc/79/15/71/673791571.db2.gz ZWYMKUJUPDOZTR-UONOGXRCSA-N 1 0 355.460 2.277 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])s1 ZINC000601341501 673845138 /nfs/dbraw/zinc/84/51/38/673845138.db2.gz DEADQUBUWSORRO-NEPJUHHUSA-N 1 0 359.473 2.117 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355912 673847242 /nfs/dbraw/zinc/84/72/42/673847242.db2.gz BAJAHIOBTPIOPN-YPMHNXCESA-N 1 0 359.423 2.003 20 5 FEBDRO CCN(CCC[NH+]1CCCC1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601401370 673855893 /nfs/dbraw/zinc/85/58/93/673855893.db2.gz NYKXGWAJRVMVGF-UHFFFAOYSA-N 1 0 361.489 2.461 20 5 FEBDRO CCC1([NH+](C)C)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000601502143 673871868 /nfs/dbraw/zinc/87/18/68/673871868.db2.gz LRTZJNNZXOLFTP-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CN(C)CCO1 ZINC000602576413 673908411 /nfs/dbraw/zinc/90/84/11/673908411.db2.gz NAQXLJTYPGVNGS-LDYMZIIASA-N 1 0 364.265 2.228 20 5 FEBDRO COCc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000602666342 673909658 /nfs/dbraw/zinc/90/96/58/673909658.db2.gz IFFXOHVFOOLXRC-UHFFFAOYSA-N 1 0 363.443 2.351 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nccc(Br)c2C1 ZINC000602849652 673912302 /nfs/dbraw/zinc/91/23/02/673912302.db2.gz LKJPMRODTDTTAR-UHFFFAOYSA-N 1 0 366.219 2.316 20 5 FEBDRO CCC1([NH+](C)C)CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000602967717 673914771 /nfs/dbraw/zinc/91/47/71/673914771.db2.gz PHUVCTGPIGHIAV-INIZCTEOSA-N 1 0 351.447 2.141 20 5 FEBDRO C[C@H]1CC2(CN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000818430063 675218967 /nfs/dbraw/zinc/21/89/67/675218967.db2.gz LASRFJINYDSDBF-NSHDSACASA-N 1 0 373.862 2.401 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000818967592 675247658 /nfs/dbraw/zinc/24/76/58/675247658.db2.gz WODVGMWXKNADBR-IUODEOHRSA-N 1 0 353.419 2.473 20 5 FEBDRO CC(C)(C)OC(=O)N1CC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819197601 675268957 /nfs/dbraw/zinc/26/89/57/675268957.db2.gz LFCAAIWDQVMIQK-HNNXBMFYSA-N 1 0 351.403 2.085 20 5 FEBDRO CCS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819273669 675276371 /nfs/dbraw/zinc/27/63/71/675276371.db2.gz DVNCZZZAKGNOTR-AWEZNQCLSA-N 1 0 370.452 2.273 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 ZINC000567768934 675320548 /nfs/dbraw/zinc/32/05/48/675320548.db2.gz FGAARWGLMUORKJ-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000824820395 675623368 /nfs/dbraw/zinc/62/33/68/675623368.db2.gz XXODYENAVPYIRQ-ZDUSSCGKSA-N 1 0 368.503 2.319 20 5 FEBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827266957 675743946 /nfs/dbraw/zinc/74/39/46/675743946.db2.gz MBHOHCNJMGBWOM-HZMBPMFUSA-N 1 0 355.797 2.482 20 5 FEBDRO CN1CC[NH+](C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000827473201 675758548 /nfs/dbraw/zinc/75/85/48/675758548.db2.gz FPVAXAGCBIZBSY-UHFFFAOYSA-N 1 0 366.849 2.100 20 5 FEBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000603640510 675800303 /nfs/dbraw/zinc/80/03/03/675800303.db2.gz SJQWTFCGUUNRHB-CHWSQXEVSA-N 1 0 371.459 2.145 20 5 FEBDRO COC1CC[NH+](CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000616119241 676240248 /nfs/dbraw/zinc/24/02/48/676240248.db2.gz SUQDFFZAVHQENK-UHFFFAOYSA-N 1 0 350.419 2.444 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000619476419 676379328 /nfs/dbraw/zinc/37/93/28/676379328.db2.gz OOFZDYCXWHGGDO-STQMWFEESA-N 1 0 371.459 2.145 20 5 FEBDRO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000619478846 676379513 /nfs/dbraw/zinc/37/95/13/676379513.db2.gz YUUNMGVNSPZNMT-UHFFFAOYSA-N 1 0 371.459 2.098 20 5 FEBDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000829799942 677013411 /nfs/dbraw/zinc/01/34/11/677013411.db2.gz BUKBCVJDXXZSFE-BETUJISGSA-N 1 0 353.394 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000760519302 680691335 /nfs/dbraw/zinc/69/13/35/680691335.db2.gz IWBPZGLGSWBLGQ-GXTWGEPZSA-N 1 0 357.357 2.232 20 5 FEBDRO C[N@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760538874 680691850 /nfs/dbraw/zinc/69/18/50/680691850.db2.gz PJWCQGFZMGYCAT-UHFFFAOYSA-N 1 0 359.373 2.479 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000762281421 680746711 /nfs/dbraw/zinc/74/67/11/680746711.db2.gz YSVCGFHQYIDSQN-LBPRGKRZSA-N 1 0 373.862 2.319 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839497498 680757028 /nfs/dbraw/zinc/75/70/28/680757028.db2.gz ZCLDRGPPNNQQRP-MNOVXSKESA-N 1 0 368.821 2.176 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839554662 680761068 /nfs/dbraw/zinc/76/10/68/680761068.db2.gz BPIVEZAGSSEJPM-GHMZBOCLSA-N 1 0 356.220 2.491 20 5 FEBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000840209779 680807520 /nfs/dbraw/zinc/80/75/20/680807520.db2.gz BXSUTKQQXPWCBX-CYBMUJFWSA-N 1 0 367.427 2.002 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCSCC3)CC2)cc1 ZINC000765954795 680860927 /nfs/dbraw/zinc/86/09/27/680860927.db2.gz ZZMRWRASFBBQJA-UHFFFAOYSA-N 1 0 350.488 2.202 20 5 FEBDRO COC(=O)c1cc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000747575785 679891295 /nfs/dbraw/zinc/89/12/95/679891295.db2.gz NBXNUMBVYQNSLO-CQSZACIVSA-N 1 0 350.371 2.413 20 5 FEBDRO CS[C@@H]1CN(C(=O)c2c(F)c(C)cc([N+](=O)[O-])c2F)C[C@H]1[NH+](C)C ZINC000831299748 679962714 /nfs/dbraw/zinc/96/27/14/679962714.db2.gz MIDAKYKNJDVEDE-GHMZBOCLSA-N 1 0 359.398 2.299 20 5 FEBDRO CCO[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000831758287 680039118 /nfs/dbraw/zinc/03/91/18/680039118.db2.gz XRFPNZFYRWJFAD-AAEUAGOBSA-N 1 0 373.837 2.098 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000749841341 680079940 /nfs/dbraw/zinc/07/99/40/680079940.db2.gz WWQHVODFTRKTHR-AWEZNQCLSA-N 1 0 363.439 2.365 20 5 FEBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000832644694 680159020 /nfs/dbraw/zinc/15/90/20/680159020.db2.gz AXTIRWILBAYEPR-GFCCVEGCSA-N 1 0 353.423 2.169 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000834564381 680242630 /nfs/dbraw/zinc/24/26/30/680242630.db2.gz JVUGKCFDJOCCCR-INIZCTEOSA-N 1 0 355.822 2.085 20 5 FEBDRO C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834827628 680274121 /nfs/dbraw/zinc/27/41/21/680274121.db2.gz KPXAPFMSLVKQCO-WCQYABFASA-N 1 0 361.423 2.399 20 5 FEBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000834846000 680276560 /nfs/dbraw/zinc/27/65/60/680276560.db2.gz LMANPSDIEHOKQS-CABCVRRESA-N 1 0 353.806 2.217 20 5 FEBDRO C[C@@H](CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCC1 ZINC000753289817 680284424 /nfs/dbraw/zinc/28/44/24/680284424.db2.gz YQHUDTAOBWCNDX-ZDUSSCGKSA-N 1 0 353.394 2.493 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CCO)c2cccs2)c([N+](=O)[O-])c1 ZINC000754382881 680353291 /nfs/dbraw/zinc/35/32/91/680353291.db2.gz OAKPFBRQWXPROH-CYBMUJFWSA-N 1 0 365.411 2.317 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000755072425 680397324 /nfs/dbraw/zinc/39/73/24/680397324.db2.gz OJSSOGOEVLVSMJ-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO O=C(NCC1=CC[N@H+](CCc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672906 680436658 /nfs/dbraw/zinc/43/66/58/680436658.db2.gz BUKZDFHUWBPMCR-NVXWUHKLSA-N 1 0 363.845 2.296 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCc1cccs1)CC2 ZINC001040700728 680483399 /nfs/dbraw/zinc/48/33/99/680483399.db2.gz PXOHBXFHLLFZFH-HZPDHXFCSA-N 1 0 363.483 2.270 20 5 FEBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CCCCCC1 ZINC000841154930 680866341 /nfs/dbraw/zinc/86/63/41/680866341.db2.gz KQFLFPSEBCWTCW-UHFFFAOYSA-N 1 0 368.821 2.355 20 5 FEBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841162268 680866901 /nfs/dbraw/zinc/86/69/01/680866901.db2.gz RVLUPESSPDGCAZ-GZMMTYOYSA-N 1 0 357.208 2.477 20 5 FEBDRO CCCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000841195301 680868602 /nfs/dbraw/zinc/86/86/02/680868602.db2.gz FMRRRKPHIXQUHA-UHFFFAOYSA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN(CC(F)F)C3)CC2)cc1 ZINC000841769089 680911098 /nfs/dbraw/zinc/91/10/98/680911098.db2.gz JJIJOUZPKTUYMC-CQSZACIVSA-N 1 0 354.401 2.493 20 5 FEBDRO O=C(OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842304768 680937591 /nfs/dbraw/zinc/93/75/91/680937591.db2.gz LIXNATPRCDRXOF-SGIREYDYSA-N 1 0 354.353 2.385 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842482343 680950023 /nfs/dbraw/zinc/95/00/23/680950023.db2.gz QUFAHHGVLMMSNY-TZMCWYRMSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000842483120 680950074 /nfs/dbraw/zinc/95/00/74/680950074.db2.gz ZFKOFPKMVRNWGT-UONOGXRCSA-N 1 0 371.434 2.338 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000842485765 680950484 /nfs/dbraw/zinc/95/04/84/680950484.db2.gz LXJLNBNROAIUBH-KOLCDFICSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc([N+](=O)[O-])c1F ZINC000842863129 680972042 /nfs/dbraw/zinc/97/20/42/680972042.db2.gz IALPQVQCWXATFH-HAQNSBGRSA-N 1 0 359.423 2.086 20 5 FEBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000843101330 680987802 /nfs/dbraw/zinc/98/78/02/680987802.db2.gz NWBVIZVQZYXFHA-NFAWXSAZSA-N 1 0 350.371 2.029 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000843105444 680988086 /nfs/dbraw/zinc/98/80/86/680988086.db2.gz FOCCXWUFQAEUJP-WBVHZDCISA-N 1 0 366.801 2.311 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2C(F)F)ccc1Br ZINC000843124465 680989023 /nfs/dbraw/zinc/98/90/23/680989023.db2.gz BNHMHGBGPJAEIC-LLVKDONJSA-N 1 0 350.163 2.396 20 5 FEBDRO CC(C)[C@H]([NH3+])c1noc(CSc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000843151551 680990097 /nfs/dbraw/zinc/99/00/97/680990097.db2.gz NZXDXTDGOPTESQ-LBPRGKRZSA-N 1 0 351.388 2.025 20 5 FEBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)N1CCOCC1 ZINC000770021167 681003268 /nfs/dbraw/zinc/00/32/68/681003268.db2.gz SWDYKOLZNZGDKR-MNOVXSKESA-N 1 0 356.810 2.479 20 5 FEBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccncc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050326145 681045044 /nfs/dbraw/zinc/04/50/44/681045044.db2.gz UHRRJAWRIURILM-XKVFNRALSA-N 1 0 366.849 2.165 20 5 FEBDRO CC(C)(C)OC(=O)NCCC1CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000845948047 681164434 /nfs/dbraw/zinc/16/44/34/681164434.db2.gz XZKMEWWIUMJRIF-UHFFFAOYSA-N 1 0 353.423 2.074 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000774537523 681201242 /nfs/dbraw/zinc/20/12/42/681201242.db2.gz VDMHMQATZLIJQG-KBPBESRZSA-N 1 0 371.434 2.392 20 5 FEBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000775812911 681338073 /nfs/dbraw/zinc/33/80/73/681338073.db2.gz DFYCVAGXBLXNMT-UONOGXRCSA-N 1 0 351.403 2.430 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847257260 681354635 /nfs/dbraw/zinc/35/46/35/681354635.db2.gz VUZLMALYROZIIQ-ZBFHGGJFSA-N 1 0 351.378 2.246 20 5 FEBDRO CCC[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000776595875 681413215 /nfs/dbraw/zinc/41/32/15/681413215.db2.gz BSWDXXPRUQOQHE-ROUUACIJSA-N 1 0 351.447 2.061 20 5 FEBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)n1 ZINC000933711165 681455901 /nfs/dbraw/zinc/45/59/01/681455901.db2.gz BKIGRBRYUGDMSF-JTQLQIEISA-N 1 0 356.308 2.090 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933739341 681460428 /nfs/dbraw/zinc/46/04/28/681460428.db2.gz UTXKGJALUYYFNO-BZNIZROVSA-N 1 0 352.822 2.070 20 5 FEBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000934044615 681500702 /nfs/dbraw/zinc/50/07/02/681500702.db2.gz WZEVUGOCEMQDRN-UHFFFAOYSA-N 1 0 365.455 2.254 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580431 681581945 /nfs/dbraw/zinc/58/19/45/681581945.db2.gz SGJDBJJTOIRVIJ-UHFFFAOYSA-N 1 0 355.341 2.309 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580555 681582154 /nfs/dbraw/zinc/58/21/54/681582154.db2.gz YLSLMELBOSGSKI-UHFFFAOYSA-N 1 0 355.341 2.309 20 5 FEBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000848796077 681622216 /nfs/dbraw/zinc/62/22/16/681622216.db2.gz XKRCSHBMSQWIJV-CYBMUJFWSA-N 1 0 350.375 2.194 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935580432 681778746 /nfs/dbraw/zinc/77/87/46/681778746.db2.gz BZWUAKVFNYMAKZ-UHFFFAOYSA-N 1 0 373.251 2.353 20 5 FEBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c(Cl)c1 ZINC000913824482 685485968 /nfs/dbraw/zinc/48/59/68/685485968.db2.gz QYRSBDWCJRGULS-AWEZNQCLSA-N 1 0 360.819 2.443 20 5 FEBDRO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+]1CC(C)(C)O ZINC000780658588 681857494 /nfs/dbraw/zinc/85/74/94/681857494.db2.gz QUEMEWPNVHPGHQ-NSHDSACASA-N 1 0 350.444 2.486 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519042 681911898 /nfs/dbraw/zinc/91/18/98/681911898.db2.gz WXIQRQJVQDLVFH-LLVKDONJSA-N 1 0 352.334 2.149 20 5 FEBDRO O=[N+]([O-])c1cccc2c1CCCN2S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914289002 685502596 /nfs/dbraw/zinc/50/25/96/685502596.db2.gz ZPEGYJVHVMOGBN-KRWDZBQOSA-N 1 0 365.455 2.163 20 5 FEBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOC(F)F)CC3)nc2c1 ZINC000851935074 682187670 /nfs/dbraw/zinc/18/76/70/682187670.db2.gz LHRHZUZTJFFNIX-UHFFFAOYSA-N 1 0 355.345 2.222 20 5 FEBDRO CC(C)([NH2+]CCn1cnc(Br)n1)c1ccccc1[N+](=O)[O-] ZINC000852078015 682215579 /nfs/dbraw/zinc/21/55/79/682215579.db2.gz IQUUZPCRBGOXBL-UHFFFAOYSA-N 1 0 354.208 2.474 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000784822374 682254572 /nfs/dbraw/zinc/25/45/72/682254572.db2.gz UUQWXTARDIEIJZ-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO O=[N+]([O-])c1cc(CN2CC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000852314336 682258485 /nfs/dbraw/zinc/25/84/85/682258485.db2.gz RQRATPMQJYFXPJ-LBPRGKRZSA-N 1 0 366.219 2.471 20 5 FEBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000853688380 682456429 /nfs/dbraw/zinc/45/64/29/682456429.db2.gz NNXAZKAMEOLECN-UHFFFAOYSA-N 1 0 353.394 2.434 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854653270 682575765 /nfs/dbraw/zinc/57/57/65/682575765.db2.gz XTPFIKANXDYWGJ-LKFCYVNXSA-N 1 0 368.821 2.371 20 5 FEBDRO CC(C)(CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790937563 682714535 /nfs/dbraw/zinc/71/45/35/682714535.db2.gz XFIUFZQOAXRWNK-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791060758 682721587 /nfs/dbraw/zinc/72/15/87/682721587.db2.gz MJYQMKRVCLAQBG-ZDUSSCGKSA-N 1 0 363.443 2.450 20 5 FEBDRO Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000856734753 682801121 /nfs/dbraw/zinc/80/11/21/682801121.db2.gz GIFLBCOGUWJDIA-UONOGXRCSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1cc(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000793217428 682873809 /nfs/dbraw/zinc/87/38/09/682873809.db2.gz OMPZXMCEXVGCLV-SNVBAGLBSA-N 1 0 355.391 2.312 20 5 FEBDRO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765459 682910726 /nfs/dbraw/zinc/91/07/26/682910726.db2.gz HBMWPAASJDTMPZ-SDDRHHMPSA-N 1 0 355.341 2.071 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000926150823 683083229 /nfs/dbraw/zinc/08/32/29/683083229.db2.gz OWGLOIGZOVDDTL-QXMXGUDHSA-N 1 0 356.469 2.385 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000798470943 683354538 /nfs/dbraw/zinc/35/45/38/683354538.db2.gz TVQOGSWXORVSPE-UHFFFAOYSA-N 1 0 361.851 2.319 20 5 FEBDRO CN(CC(=O)OCC[NH+]1CCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000861392132 683404005 /nfs/dbraw/zinc/40/40/05/683404005.db2.gz MUXDQBSXAOATTC-UHFFFAOYSA-N 1 0 372.219 2.042 20 5 FEBDRO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713521 683459738 /nfs/dbraw/zinc/45/97/38/683459738.db2.gz DBFXWKFYAVMWHH-WDEREUQCSA-N 1 0 374.224 2.183 20 5 FEBDRO CCO[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+](C)C ZINC000921419471 683463469 /nfs/dbraw/zinc/46/34/69/683463469.db2.gz DWVNSLXJVZPWAU-ZDUSSCGKSA-N 1 0 358.826 2.014 20 5 FEBDRO CN(CCCC[NH+]1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000922329474 683699000 /nfs/dbraw/zinc/69/90/00/683699000.db2.gz TZUVDBKKVIZXQW-UHFFFAOYSA-N 1 0 351.451 2.251 20 5 FEBDRO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294464 683699492 /nfs/dbraw/zinc/69/94/92/683699492.db2.gz DIPHHTHQRDGBDQ-KGLIPLIRSA-N 1 0 362.411 2.339 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000930684691 683770715 /nfs/dbraw/zinc/77/07/15/683770715.db2.gz QDBGELFJGCQIOY-HUUCEWRRSA-N 1 0 357.451 2.047 20 5 FEBDRO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000864396336 683845686 /nfs/dbraw/zinc/84/56/86/683845686.db2.gz JHEQZIAQWLBBLQ-UHFFFAOYSA-N 1 0 370.247 2.452 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865131132 683940212 /nfs/dbraw/zinc/94/02/12/683940212.db2.gz TVEMURFCUHRSDF-LBPRGKRZSA-N 1 0 370.247 2.452 20 5 FEBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865577705 684000158 /nfs/dbraw/zinc/00/01/58/684000158.db2.gz OUYSNJXSUHSOEG-CQSZACIVSA-N 1 0 355.410 2.163 20 5 FEBDRO CSCC[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000866358164 684094657 /nfs/dbraw/zinc/09/46/57/684094657.db2.gz HGARJACIAKXGDL-RISCZKNCSA-N 1 0 357.451 2.464 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000866793913 684154285 /nfs/dbraw/zinc/15/42/85/684154285.db2.gz LKZZDJXDHQRPMF-GFCCVEGCSA-N 1 0 359.423 2.005 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1[N+](=O)[O-] ZINC000866827533 684162585 /nfs/dbraw/zinc/16/25/85/684162585.db2.gz ONLSCHDGHBSBCG-NEPJUHHUSA-N 1 0 359.835 2.072 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000866972198 684189441 /nfs/dbraw/zinc/18/94/41/684189441.db2.gz NQKLZRBUKMBBBK-JSGCOSHPSA-N 1 0 371.434 2.147 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958995 684775816 /nfs/dbraw/zinc/77/58/16/684775816.db2.gz PQJQLSNQVDDSNQ-UHFFFAOYSA-N 1 0 351.451 2.117 20 5 FEBDRO COc1ccc(CSCC(=O)N2CC[NH2+]CCC2(C)C)cc1[N+](=O)[O-] ZINC000872293619 684935418 /nfs/dbraw/zinc/93/54/18/684935418.db2.gz BWYAAAMKYSLYHJ-UHFFFAOYSA-N 1 0 367.471 2.437 20 5 FEBDRO CC1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000872529562 684972812 /nfs/dbraw/zinc/97/28/12/684972812.db2.gz ISEBKWNEYVIPNK-UHFFFAOYSA-N 1 0 368.459 2.019 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCN(c4ncccc4Cl)C3)C2)c1 ZINC000877095873 686324887 /nfs/dbraw/zinc/32/48/87/686324887.db2.gz UXIROCVTIJXYRH-HIFPTAJRSA-N 1 0 362.821 2.412 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332659 686355758 /nfs/dbraw/zinc/35/57/58/686355758.db2.gz FWMQOETUABQAAC-CQSZACIVSA-N 1 0 367.833 2.066 20 5 FEBDRO O=C1NCCC12CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000877783166 686456918 /nfs/dbraw/zinc/45/69/18/686456918.db2.gz HMIYQKLGEBAFAK-UHFFFAOYSA-N 1 0 368.231 2.459 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154484 686531243 /nfs/dbraw/zinc/53/12/43/686531243.db2.gz VRDAGGHERXACLX-CYBMUJFWSA-N 1 0 353.423 2.041 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000878866835 686677934 /nfs/dbraw/zinc/67/79/34/686677934.db2.gz XIYVHBDPFURZFZ-OAHLLOKOSA-N 1 0 372.263 2.246 20 5 FEBDRO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H](C(F)(F)F)O1 ZINC000880060827 686990192 /nfs/dbraw/zinc/99/01/92/686990192.db2.gz YSPRPWGRCLMFML-NOZJJQNGSA-N 1 0 361.320 2.235 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC000880388755 687043284 /nfs/dbraw/zinc/04/32/84/687043284.db2.gz UTFJJTRBUKMVQM-IAGOWNOFSA-N 1 0 362.455 2.332 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880453961 687050887 /nfs/dbraw/zinc/05/08/87/687050887.db2.gz XHFWZGASWHHRFJ-INIZCTEOSA-N 1 0 350.415 2.370 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC(C)([NH+]3CCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000882767740 687478758 /nfs/dbraw/zinc/47/87/58/687478758.db2.gz ZUTHVRGHKCGDCB-UHFFFAOYSA-N 1 0 367.471 2.461 20 5 FEBDRO C[C@@H](CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000883729145 687711044 /nfs/dbraw/zinc/71/10/44/687711044.db2.gz JVXXGFWJTJCRLD-VIFPVBQESA-N 1 0 359.224 2.107 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000884951542 687972524 /nfs/dbraw/zinc/97/25/24/687972524.db2.gz FUBPLRLGNDKAEF-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884956014 687973890 /nfs/dbraw/zinc/97/38/90/687973890.db2.gz XPNJHFXWSJKMSO-KBPBESRZSA-N 1 0 353.444 2.117 20 5 FEBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412803 688249223 /nfs/dbraw/zinc/24/92/23/688249223.db2.gz SUGWNHBMVYBSGH-ZDUSSCGKSA-N 1 0 353.423 2.123 20 5 FEBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000886890466 688333851 /nfs/dbraw/zinc/33/38/51/688333851.db2.gz JNYOOLLJWWJESP-SECBINFHSA-N 1 0 368.242 2.274 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000886901418 688337495 /nfs/dbraw/zinc/33/74/95/688337495.db2.gz ZJTBWTODAYRBQA-INIZCTEOSA-N 1 0 371.434 2.197 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887929376 688521740 /nfs/dbraw/zinc/52/17/40/688521740.db2.gz UHJHFABLCXLRSN-BZNIZROVSA-N 1 0 355.341 2.220 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891757311 689102719 /nfs/dbraw/zinc/10/27/19/689102719.db2.gz HNQLAFLSGWRQLQ-GDBMZVCRSA-N 1 0 352.822 2.375 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000892090117 689148984 /nfs/dbraw/zinc/14/89/84/689148984.db2.gz DEPKWXBVFPNFQD-SKDRFNHKSA-N 1 0 371.235 2.155 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896547473 689890697 /nfs/dbraw/zinc/89/06/97/689890697.db2.gz BYJSJBIJUZYVNN-SWLSCSKDSA-N 1 0 366.487 2.071 20 5 FEBDRO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000899600771 690385259 /nfs/dbraw/zinc/38/52/59/690385259.db2.gz CFVVLVYEBGQYJR-HNNXBMFYSA-N 1 0 350.444 2.135 20 5 FEBDRO CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)C[NH+](C)C ZINC000900692688 690548946 /nfs/dbraw/zinc/54/89/46/690548946.db2.gz VXAMLTUEKLRCAZ-SNVBAGLBSA-N 1 0 374.235 2.054 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC000903204322 690866193 /nfs/dbraw/zinc/86/61/93/690866193.db2.gz NOEXIGLSXKLJAP-UHFFFAOYSA-N 1 0 353.444 2.016 20 5 FEBDRO CO[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCSC1 ZINC000903309178 690880782 /nfs/dbraw/zinc/88/07/82/690880782.db2.gz CTDFCUVPPBYDMU-LRDDRELGSA-N 1 0 353.444 2.424 20 5 FEBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000905360457 691108377 /nfs/dbraw/zinc/10/83/77/691108377.db2.gz QXAPLACORZVCTJ-INIZCTEOSA-N 1 0 367.471 2.135 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000905361277 691108703 /nfs/dbraw/zinc/10/87/03/691108703.db2.gz WPJVSDSWYUNALP-MRXNPFEDSA-N 1 0 367.471 2.302 20 5 FEBDRO C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)O2 ZINC000905487953 691125101 /nfs/dbraw/zinc/12/51/01/691125101.db2.gz VMYPRUPIHMABJZ-KQIDPQQZSA-N 1 0 350.415 2.190 20 5 FEBDRO CCCC[N@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906660199 691298634 /nfs/dbraw/zinc/29/86/34/691298634.db2.gz OCGIWVHIPPHBEW-UHFFFAOYSA-N 1 0 351.403 2.218 20 5 FEBDRO O=[N+]([O-])c1ccc(C(F)(F)N2CCO[C@@H]3C[NH2+]CC[C@H]3C2)nc1Cl ZINC001164403289 718862098 /nfs/dbraw/zinc/86/20/98/718862098.db2.gz MCHJUMSGFMLQOO-GXSJLCMTSA-N 1 0 362.764 2.003 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724898 720358226 /nfs/dbraw/zinc/35/82/26/720358226.db2.gz LNVFPSOCAITKQN-CABCVRRESA-N 1 0 370.369 2.146 20 5 FEBDRO Cc1ncc([N+](=O)[O-])c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862995 720954344 /nfs/dbraw/zinc/95/43/44/720954344.db2.gz XOHRKQHIDZWXRU-LBPRGKRZSA-N 1 0 359.434 2.311 20 5 FEBDRO CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C1(C)C ZINC000515642271 888982062 /nfs/dbraw/zinc/98/20/62/888982062.db2.gz CDLPRQAMXYUJPM-KSSFIOAISA-N 1 0 373.413 2.456 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000549525218 674046818 /nfs/dbraw/zinc/04/68/18/674046818.db2.gz XBAHTUOWUMZEQV-UHFFFAOYSA-N 1 0 355.460 2.448 20 5 FEBDRO Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010019740 539511550 /nfs/dbraw/zinc/51/15/50/539511550.db2.gz HPZGDTLPHPSTAM-QGZVFWFLSA-N 1 0 370.409 2.261 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000014102494 539595274 /nfs/dbraw/zinc/59/52/74/539595274.db2.gz POBNCSNGXWOMCR-UHFFFAOYSA-N 1 0 353.444 2.117 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000032355339 539935091 /nfs/dbraw/zinc/93/50/91/539935091.db2.gz QKIBDKUZWFSQPA-UHFFFAOYSA-N 1 0 355.394 2.148 20 5 FEBDRO CCOc1cc(C(=O)NCCC[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000041928404 540040352 /nfs/dbraw/zinc/04/03/52/540040352.db2.gz RUTZGEFRUGRINF-UHFFFAOYSA-N 1 0 353.419 2.462 20 5 FEBDRO CCOC(=O)c1cc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc([N+](=O)[O-])c1 ZINC000041914542 540039928 /nfs/dbraw/zinc/03/99/28/540039928.db2.gz NYXYBJMPHOKCTK-GFCCVEGCSA-N 1 0 351.403 2.232 20 5 FEBDRO CCOc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000042505389 540064368 /nfs/dbraw/zinc/06/43/68/540064368.db2.gz XPBNSVWIBJFVBC-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043147694 540091466 /nfs/dbraw/zinc/09/14/66/540091466.db2.gz HVYQPOPNNVNUHB-UHFFFAOYSA-N 1 0 363.462 2.442 20 5 FEBDRO CC(C)C[NH+]1CCC(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000043884295 540114010 /nfs/dbraw/zinc/11/40/10/540114010.db2.gz LUQDYKRRALFQKT-UHFFFAOYSA-N 1 0 363.462 2.426 20 5 FEBDRO C[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000047284807 540302047 /nfs/dbraw/zinc/30/20/47/540302047.db2.gz HDBLICJUYPBYGK-UHFFFAOYSA-N 1 0 368.437 2.272 20 5 FEBDRO C[NH+](C)Cc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000047453143 540312243 /nfs/dbraw/zinc/31/22/43/540312243.db2.gz VOCABFLJTWETRI-UHFFFAOYSA-N 1 0 370.409 2.415 20 5 FEBDRO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)cc1[N+](=O)[O-] ZINC000047523387 540316332 /nfs/dbraw/zinc/31/63/32/540316332.db2.gz PWTHJKIAKYGETG-UHFFFAOYSA-N 1 0 355.398 2.302 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1OC ZINC000047905342 540333089 /nfs/dbraw/zinc/33/30/89/540333089.db2.gz FPEONIKVUAEITB-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO CCOc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000047905336 540333117 /nfs/dbraw/zinc/33/31/17/540333117.db2.gz NGVXVBDVIGOKRV-CYBMUJFWSA-N 1 0 365.430 2.464 20 5 FEBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053515200 540541267 /nfs/dbraw/zinc/54/12/67/540541267.db2.gz UUGXIIHQVJOUPJ-AWEZNQCLSA-N 1 0 371.441 2.457 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053359577 540528664 /nfs/dbraw/zinc/52/86/64/540528664.db2.gz SAKYYZFQFBQYEX-OAHLLOKOSA-N 1 0 371.441 2.482 20 5 FEBDRO C[N@H+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000062127788 541145015 /nfs/dbraw/zinc/14/50/15/541145015.db2.gz KUKBUOQWFYHAFA-UHFFFAOYSA-N 1 0 362.430 2.304 20 5 FEBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063768864 541184400 /nfs/dbraw/zinc/18/44/00/541184400.db2.gz VKGUCWJSOMGJFL-UHFFFAOYSA-N 1 0 357.414 2.094 20 5 FEBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065642473 541250720 /nfs/dbraw/zinc/25/07/20/541250720.db2.gz NMYCWVYTCCIUBF-UHFFFAOYSA-N 1 0 374.441 2.258 20 5 FEBDRO O=C1[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067399688 541457404 /nfs/dbraw/zinc/45/74/04/541457404.db2.gz DYSFYHKGNOSVTL-ROUUACIJSA-N 1 0 358.442 2.260 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000067812720 541517111 /nfs/dbraw/zinc/51/71/11/541517111.db2.gz GITWZFLRAVNGHO-AWEZNQCLSA-N 1 0 361.402 2.036 20 5 FEBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000067998377 541537149 /nfs/dbraw/zinc/53/71/49/541537149.db2.gz NTZUKTJTEVBPLT-VXGBXAGGSA-N 1 0 355.822 2.477 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000069124370 541660243 /nfs/dbraw/zinc/66/02/43/541660243.db2.gz CTRCBDZVUONVBU-CQSZACIVSA-N 1 0 371.434 2.373 20 5 FEBDRO CC(C)[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000069440731 541687218 /nfs/dbraw/zinc/68/72/18/541687218.db2.gz RILRWLSMXNBUTL-KRWDZBQOSA-N 1 0 364.446 2.393 20 5 FEBDRO COC(=O)c1cc(C(=O)NCCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000069618016 541700561 /nfs/dbraw/zinc/70/05/61/541700561.db2.gz QLMXLHSVSNRYEA-UHFFFAOYSA-N 1 0 363.414 2.377 20 5 FEBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000070871087 541747889 /nfs/dbraw/zinc/74/78/89/541747889.db2.gz GKXUJCQVEZGPDN-CQSZACIVSA-N 1 0 374.445 2.416 20 5 FEBDRO COc1cc(OCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1[N+](=O)[O-] ZINC000071027620 541759631 /nfs/dbraw/zinc/75/96/31/541759631.db2.gz OLEJNHYOHCQTHZ-UHFFFAOYSA-N 1 0 369.337 2.202 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000072716470 541855682 /nfs/dbraw/zinc/85/56/82/541855682.db2.gz WIZLWCFJDZIEHW-OAHLLOKOSA-N 1 0 367.471 2.256 20 5 FEBDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072823941 541873904 /nfs/dbraw/zinc/87/39/04/541873904.db2.gz ZYZOMDJNRJWHDX-CQSZACIVSA-N 1 0 364.446 2.206 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898768 541891241 /nfs/dbraw/zinc/89/12/41/541891241.db2.gz QQVNCLTXRDMCDF-UHFFFAOYSA-N 1 0 363.414 2.435 20 5 FEBDRO COc1ccc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000072914647 541893737 /nfs/dbraw/zinc/89/37/37/541893737.db2.gz XSADCXIPQFJWFV-QGZVFWFLSA-N 1 0 360.414 2.040 20 5 FEBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000801541746 674134432 /nfs/dbraw/zinc/13/44/32/674134432.db2.gz VBUCPGMJSRNEDO-ZJUUUORDSA-N 1 0 357.794 2.364 20 5 FEBDRO COc1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000092070219 542842578 /nfs/dbraw/zinc/84/25/78/542842578.db2.gz PKAWORDLIJRCSS-ZDUSSCGKSA-N 1 0 361.402 2.116 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092101803 542845635 /nfs/dbraw/zinc/84/56/35/542845635.db2.gz CNAIMLVTTWXHMY-GFCCVEGCSA-N 1 0 357.357 2.496 20 5 FEBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092100336 542845711 /nfs/dbraw/zinc/84/57/11/542845711.db2.gz FZSLPYSGEXTXFA-OAHLLOKOSA-N 1 0 371.441 2.296 20 5 FEBDRO CNC(=O)CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093587714 542935005 /nfs/dbraw/zinc/93/50/05/542935005.db2.gz PLUYFQATSGORQQ-UHFFFAOYSA-N 1 0 371.441 2.343 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000094134871 542954170 /nfs/dbraw/zinc/95/41/70/542954170.db2.gz XEWUPDMIWRTOBO-CYBMUJFWSA-N 1 0 362.474 2.133 20 5 FEBDRO CCc1nn(C)c(NCc2ccccc2C[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000094170116 542955741 /nfs/dbraw/zinc/95/57/41/542955741.db2.gz LKMPWQFYHLUVSQ-UHFFFAOYSA-N 1 0 373.457 2.460 20 5 FEBDRO CC1CC[NH+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000096997040 543001678 /nfs/dbraw/zinc/00/16/78/543001678.db2.gz NVKSHCVTYIXBID-UHFFFAOYSA-N 1 0 359.423 2.134 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410343 543069050 /nfs/dbraw/zinc/06/90/50/543069050.db2.gz TZTDRCZDRINFKR-HNNXBMFYSA-N 1 0 373.413 2.466 20 5 FEBDRO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285317 543101300 /nfs/dbraw/zinc/10/13/00/543101300.db2.gz SVVBULWKLPMHLG-UWVGGRQHSA-N 1 0 373.356 2.291 20 5 FEBDRO O=C(CC[NH+]1CCC(N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000104730513 543139941 /nfs/dbraw/zinc/13/99/41/543139941.db2.gz MVZOHFDDRHDZKV-UHFFFAOYSA-N 1 0 360.414 2.010 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106088635 543193686 /nfs/dbraw/zinc/19/36/86/543193686.db2.gz WGYPENCCOBNGPE-INIZCTEOSA-N 1 0 357.414 2.494 20 5 FEBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)CC1 ZINC000106937519 543257087 /nfs/dbraw/zinc/25/70/87/543257087.db2.gz USXODIIOJDLTQF-INIZCTEOSA-N 1 0 361.446 2.147 20 5 FEBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000247449518 549335364 /nfs/dbraw/zinc/33/53/64/549335364.db2.gz YZAIBVLZUWKHJF-KSSFIOAISA-N 1 0 369.425 2.337 20 5 FEBDRO CCC[NH+]1CCC(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000112325723 543441476 /nfs/dbraw/zinc/44/14/76/543441476.db2.gz GBSDRZVEJGCLHL-UHFFFAOYSA-N 1 0 360.458 2.227 20 5 FEBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113231113 543478628 /nfs/dbraw/zinc/47/86/28/543478628.db2.gz PTJYGPFEXBXXML-CZUORRHYSA-N 1 0 369.425 2.304 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000114450869 543516252 /nfs/dbraw/zinc/51/62/52/543516252.db2.gz ZCGWJGHNOOGCJO-UHFFFAOYSA-N 1 0 356.854 2.050 20 5 FEBDRO C[NH+](C)Cc1cc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)ccc1F ZINC000115418024 543566151 /nfs/dbraw/zinc/56/61/51/543566151.db2.gz UGOZLJYEEYTVBF-UHFFFAOYSA-N 1 0 364.352 2.447 20 5 FEBDRO Cc1cccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000116922628 543619682 /nfs/dbraw/zinc/61/96/82/543619682.db2.gz HRAQVZFOPXLFEN-UHFFFAOYSA-N 1 0 363.439 2.280 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc2N1 ZINC000123058528 543740047 /nfs/dbraw/zinc/74/00/47/543740047.db2.gz GEIDVEWYEBLKFN-CYBMUJFWSA-N 1 0 374.441 2.392 20 5 FEBDRO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000125011483 543856015 /nfs/dbraw/zinc/85/60/15/543856015.db2.gz GURYUPBGNSHHCO-HIFRSBDPSA-N 1 0 371.397 2.135 20 5 FEBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000125142717 543863644 /nfs/dbraw/zinc/86/36/44/543863644.db2.gz VEQZRNVDLIEDJZ-IUCAKERBSA-N 1 0 367.349 2.114 20 5 FEBDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126387830 543933236 /nfs/dbraw/zinc/93/32/36/543933236.db2.gz UYDQBBCLJXYXCR-MCFWBGNESA-N 1 0 351.428 2.491 20 5 FEBDRO Nc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126827522 543958637 /nfs/dbraw/zinc/95/86/37/543958637.db2.gz BTPRUOJLRQYYHI-IAQYHMDHSA-N 1 0 362.405 2.405 20 5 FEBDRO CC(C)OC(=O)C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000127894760 544020375 /nfs/dbraw/zinc/02/03/75/544020375.db2.gz UJYBYMQGVCCVAK-DZGCQCFKSA-N 1 0 363.414 2.093 20 5 FEBDRO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCN1CCOC ZINC000130589001 544157084 /nfs/dbraw/zinc/15/70/84/544157084.db2.gz JPUYQUIWFPBLQI-LBPRGKRZSA-N 1 0 373.251 2.299 20 5 FEBDRO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCN1CCOC ZINC000130984654 544173104 /nfs/dbraw/zinc/17/31/04/544173104.db2.gz YNDRETLHCGUZKP-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO Cc1nn(Cc2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000098080787 222226697 /nfs/dbraw/zinc/22/66/97/222226697.db2.gz GLQNHECTTJURQA-UHFFFAOYSA-N 1 0 371.441 2.234 20 5 FEBDRO Cn1cc(C(=O)N2CCC([NH+](C)C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000098093408 222229069 /nfs/dbraw/zinc/22/90/69/222229069.db2.gz WTZARTLJTXELDG-UHFFFAOYSA-N 1 0 357.414 2.162 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000132868002 544246858 /nfs/dbraw/zinc/24/68/58/544246858.db2.gz HPYADTASOJRRNQ-OKILXGFUSA-N 1 0 365.478 2.363 20 5 FEBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000134789545 544321747 /nfs/dbraw/zinc/32/17/47/544321747.db2.gz MGLNNMBMNYXOBL-UONOGXRCSA-N 1 0 355.398 2.089 20 5 FEBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135510762 544349760 /nfs/dbraw/zinc/34/97/60/544349760.db2.gz ISQIBWOIEZHHKM-JKSUJKDBSA-N 1 0 365.455 2.438 20 5 FEBDRO CC(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135507521 544350072 /nfs/dbraw/zinc/35/00/72/544350072.db2.gz ZSBOYMPWAUNBMH-OAHLLOKOSA-N 1 0 357.414 2.131 20 5 FEBDRO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@@H+]1C1CC1 ZINC000152988079 544719615 /nfs/dbraw/zinc/71/96/15/544719615.db2.gz BNSYYIUXFWDRIL-STQMWFEESA-N 1 0 355.398 2.136 20 5 FEBDRO CC[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000153265828 544754210 /nfs/dbraw/zinc/75/42/10/544754210.db2.gz RNIAHAKEZKWNBG-UHFFFAOYSA-N 1 0 370.247 2.454 20 5 FEBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153286407 544756325 /nfs/dbraw/zinc/75/63/25/544756325.db2.gz RVVDZFJICWTNRB-CHWSQXEVSA-N 1 0 351.403 2.167 20 5 FEBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000154459909 544909489 /nfs/dbraw/zinc/90/94/89/544909489.db2.gz PDIFXWCIAFXJJY-ULQDDVLXSA-N 1 0 362.382 2.046 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(N2CCCC2)c1 ZINC000181890952 327751122 /nfs/dbraw/zinc/75/11/22/327751122.db2.gz BEGRRXKSIVAMGH-RDTXWAMCSA-N 1 0 359.430 2.103 20 5 FEBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185857528 327935908 /nfs/dbraw/zinc/93/59/08/327935908.db2.gz DCKHESIKLZLXKG-UHFFFAOYSA-N 1 0 361.423 2.425 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186577944 327969182 /nfs/dbraw/zinc/96/91/82/327969182.db2.gz QHGVSCRDPJEVOD-MRXNPFEDSA-N 1 0 369.425 2.478 20 5 FEBDRO C[NH+]1CCC(Nc2ccccc2NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000188366900 328083147 /nfs/dbraw/zinc/08/31/47/328083147.db2.gz GMMKTFLPPZRSFV-UHFFFAOYSA-N 1 0 371.397 2.454 20 5 FEBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188929034 328118446 /nfs/dbraw/zinc/11/84/46/328118446.db2.gz VHVXIKUTGYTULU-AWEZNQCLSA-N 1 0 362.430 2.099 20 5 FEBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000189148351 328131337 /nfs/dbraw/zinc/13/13/37/328131337.db2.gz AZCKUXSTDJINEG-QWHCGFSZSA-N 1 0 371.459 2.002 20 5 FEBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189147785 328131475 /nfs/dbraw/zinc/13/14/75/328131475.db2.gz HGJGFCKTYBRWGI-UONOGXRCSA-N 1 0 355.460 2.135 20 5 FEBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000189427182 328147683 /nfs/dbraw/zinc/14/76/83/328147683.db2.gz LJNPADPTXYAERT-UHFFFAOYSA-N 1 0 364.446 2.211 20 5 FEBDRO O=C1C[C@H](N2CCC([C@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079870 328186508 /nfs/dbraw/zinc/18/65/08/328186508.db2.gz HRBZKDXPTNMDHQ-DLBZAZTESA-N 1 0 373.409 2.118 20 5 FEBDRO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191257347 328256810 /nfs/dbraw/zinc/25/68/10/328256810.db2.gz ASYRGLOQASMEGZ-CXAGYDPISA-N 1 0 370.409 2.341 20 5 FEBDRO COc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000191484981 328268075 /nfs/dbraw/zinc/26/80/75/328268075.db2.gz HYKLWQQSLBUOFZ-UHFFFAOYSA-N 1 0 371.393 2.290 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191987159 328292018 /nfs/dbraw/zinc/29/20/18/328292018.db2.gz JAWPYTGLTIEWOB-UONOGXRCSA-N 1 0 355.460 2.172 20 5 FEBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000192549153 328325332 /nfs/dbraw/zinc/32/53/32/328325332.db2.gz UNSYLZLVHSXJLU-HUUCEWRRSA-N 1 0 364.494 2.114 20 5 FEBDRO CN(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000192685593 328333155 /nfs/dbraw/zinc/33/31/55/328333155.db2.gz DAMQWBBKFMOGCV-INIZCTEOSA-N 1 0 367.402 2.315 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193918346 328401962 /nfs/dbraw/zinc/40/19/62/328401962.db2.gz MWSFSGIDUIYRRD-UHFFFAOYSA-N 1 0 371.459 2.145 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000194378487 328421663 /nfs/dbraw/zinc/42/16/63/328421663.db2.gz CHRYDWMBZJXMMH-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000054097133 324755564 /nfs/dbraw/zinc/75/55/64/324755564.db2.gz OUOHBGOEBNBTRN-CQSZACIVSA-N 1 0 371.441 2.457 20 5 FEBDRO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000054097132 324755944 /nfs/dbraw/zinc/75/59/44/324755944.db2.gz OUOHBGOEBNBTRN-AWEZNQCLSA-N 1 0 371.441 2.457 20 5 FEBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000078827743 325064641 /nfs/dbraw/zinc/06/46/41/325064641.db2.gz KXSWHXYKAKCRQJ-CYBMUJFWSA-N 1 0 372.429 2.088 20 5 FEBDRO C[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000085364566 325251447 /nfs/dbraw/zinc/25/14/47/325251447.db2.gz CEPOLHHYEFAVAT-CYBMUJFWSA-N 1 0 351.451 2.282 20 5 FEBDRO C[NH+]1CCN(c2ccc(NC(=O)CCc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000087036701 325271751 /nfs/dbraw/zinc/27/17/51/325271751.db2.gz HCWAMNIQRBGFTJ-UHFFFAOYSA-N 1 0 369.425 2.313 20 5 FEBDRO C[C@H](CCc1ccco1)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015279 325351588 /nfs/dbraw/zinc/35/15/88/325351588.db2.gz YCJQOFLKVMLSCG-CYBMUJFWSA-N 1 0 367.427 2.077 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000090183088 325356346 /nfs/dbraw/zinc/35/63/46/325356346.db2.gz OGRFWHIVPPIDGF-GFCCVEGCSA-N 1 0 356.444 2.469 20 5 FEBDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CC(C)C ZINC000102487675 325493867 /nfs/dbraw/zinc/49/38/67/325493867.db2.gz ZOQSNJYZNDEQQI-CQSZACIVSA-N 1 0 353.467 2.399 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000109816746 325678013 /nfs/dbraw/zinc/67/80/13/325678013.db2.gz RMIQTXSJAHAUGQ-CQSZACIVSA-N 1 0 355.460 2.302 20 5 FEBDRO C[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000109986934 325681615 /nfs/dbraw/zinc/68/16/15/325681615.db2.gz ZWBCAQIBUXMPPH-CYBMUJFWSA-N 1 0 372.425 2.288 20 5 FEBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000118787470 326102743 /nfs/dbraw/zinc/10/27/43/326102743.db2.gz HCFWAOWFGKOOGX-AWEZNQCLSA-N 1 0 363.462 2.298 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1C ZINC000120669958 326277336 /nfs/dbraw/zinc/27/73/36/326277336.db2.gz WVKVRQKQNUNRNU-MNOVXSKESA-N 1 0 368.821 2.128 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000121806348 326368714 /nfs/dbraw/zinc/36/87/14/326368714.db2.gz WNTLRGPDUCOICT-CQSZACIVSA-N 1 0 374.441 2.317 20 5 FEBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122395267 326394965 /nfs/dbraw/zinc/39/49/65/326394965.db2.gz UMQKGQJPBNHWNV-ZBFHGGJFSA-N 1 0 367.471 2.262 20 5 FEBDRO Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000124425852 326453647 /nfs/dbraw/zinc/45/36/47/326453647.db2.gz NDPNBXYTDIVUNX-UHFFFAOYSA-N 1 0 355.460 2.398 20 5 FEBDRO C[C@H](Nc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000126058024 326482408 /nfs/dbraw/zinc/48/24/08/326482408.db2.gz FUGMMLWXOVJBHG-JSGCOSHPSA-N 1 0 355.398 2.255 20 5 FEBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000130941413 326566135 /nfs/dbraw/zinc/56/61/35/326566135.db2.gz CRFDJSCTSRRODG-UHFFFAOYSA-N 1 0 355.398 2.137 20 5 FEBDRO C[NH+](C)Cc1ccnc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000160143454 326954924 /nfs/dbraw/zinc/95/49/24/326954924.db2.gz FDNRQZVRKODRMA-UHFFFAOYSA-N 1 0 366.381 2.489 20 5 FEBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000162270319 327021310 /nfs/dbraw/zinc/02/13/10/327021310.db2.gz UYRBNZGDXHQEFT-UHFFFAOYSA-N 1 0 359.220 2.331 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000162855020 327036332 /nfs/dbraw/zinc/03/63/32/327036332.db2.gz DRJYXFGJBLHGSW-UHFFFAOYSA-N 1 0 362.430 2.175 20 5 FEBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164232211 327067108 /nfs/dbraw/zinc/06/71/08/327067108.db2.gz VABKQZMTMSFPDJ-OCCSQVGLSA-N 1 0 362.386 2.368 20 5 FEBDRO [NH3+][C@@H](CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000169187733 327088121 /nfs/dbraw/zinc/08/81/21/327088121.db2.gz WOQQCDYLMHVSGP-WBVHZDCISA-N 1 0 369.425 2.483 20 5 FEBDRO COC(=O)c1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000173051584 327232651 /nfs/dbraw/zinc/23/26/51/327232651.db2.gz WEWZGAFXTDIJKV-LLVKDONJSA-N 1 0 351.403 2.088 20 5 FEBDRO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000173265746 327245108 /nfs/dbraw/zinc/24/51/08/327245108.db2.gz DKUHADAJOAAHQM-CMPLNLGQSA-N 1 0 361.851 2.351 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000173996105 327300273 /nfs/dbraw/zinc/30/02/73/327300273.db2.gz OHBFKJXMHWWEAF-QGZVFWFLSA-N 1 0 372.425 2.199 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174141317 327308307 /nfs/dbraw/zinc/30/83/07/327308307.db2.gz FICHLZXBZNSJNX-STQMWFEESA-N 1 0 351.403 2.289 20 5 FEBDRO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000174357889 327321847 /nfs/dbraw/zinc/32/18/47/327321847.db2.gz PNMFEGMLYMCXCN-UHFFFAOYSA-N 1 0 369.425 2.449 20 5 FEBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc([N+](=O)[O-])c1 ZINC000174536646 327333180 /nfs/dbraw/zinc/33/31/80/327333180.db2.gz FITZWBGADLGVKR-ZDUSSCGKSA-N 1 0 363.414 2.185 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000175091633 327373372 /nfs/dbraw/zinc/37/33/72/327373372.db2.gz PFCYDKQAWKOPSB-OAHLLOKOSA-N 1 0 367.471 2.461 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178620774 327596290 /nfs/dbraw/zinc/59/62/90/327596290.db2.gz XXOSPDJRAKUOEQ-GFCCVEGCSA-N 1 0 368.821 2.434 20 5 FEBDRO C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000178648908 327598096 /nfs/dbraw/zinc/59/80/96/327598096.db2.gz LNXPWDFXUVZLDP-WMLDXEAASA-N 1 0 351.472 2.453 20 5 FEBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000178686159 327600377 /nfs/dbraw/zinc/60/03/77/327600377.db2.gz IMVKHQOORBXYGE-XJKSGUPXSA-N 1 0 357.414 2.483 20 5 FEBDRO COc1ccccc1[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000261862999 328825102 /nfs/dbraw/zinc/82/51/02/328825102.db2.gz WPABFJZBJWEPIG-QGZVFWFLSA-N 1 0 370.409 2.188 20 5 FEBDRO C[NH2+]CCC1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000262101751 328842527 /nfs/dbraw/zinc/84/25/27/328842527.db2.gz SYARJHJTIMBPTA-UHFFFAOYSA-N 1 0 357.414 2.242 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264360840 329014287 /nfs/dbraw/zinc/01/42/87/329014287.db2.gz AVFWJEKQNFTONE-HNNXBMFYSA-N 1 0 363.418 2.109 20 5 FEBDRO CCCc1n[nH]c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000264627893 329042424 /nfs/dbraw/zinc/04/24/24/329042424.db2.gz XPVSJBYYDONXIE-GFCCVEGCSA-N 1 0 351.432 2.365 20 5 FEBDRO COc1ccc(CNC(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000264718407 329052465 /nfs/dbraw/zinc/05/24/65/329052465.db2.gz DNCKODZSLRNLFY-UHFFFAOYSA-N 1 0 350.419 2.275 20 5 FEBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264854262 329067729 /nfs/dbraw/zinc/06/77/29/329067729.db2.gz CVBUKXFPXMBASI-CQSZACIVSA-N 1 0 373.457 2.080 20 5 FEBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCS(=O)(=O)C3)cs2)c1 ZINC000264987444 329080858 /nfs/dbraw/zinc/08/08/58/329080858.db2.gz WGKHAFWCXPCBQP-LLVKDONJSA-N 1 0 367.452 2.243 20 5 FEBDRO COc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960573 329176796 /nfs/dbraw/zinc/17/67/96/329176796.db2.gz QBXKDJZIQWHGCK-CHWSQXEVSA-N 1 0 365.430 2.462 20 5 FEBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982735 329179085 /nfs/dbraw/zinc/17/90/85/329179085.db2.gz MRYRCTGXWGYRQT-DLBZAZTESA-N 1 0 350.415 2.226 20 5 FEBDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000265982737 329179108 /nfs/dbraw/zinc/17/91/08/329179108.db2.gz MRYRCTGXWGYRQT-IRXDYDNUSA-N 1 0 350.415 2.226 20 5 FEBDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000266634482 329244180 /nfs/dbraw/zinc/24/41/80/329244180.db2.gz JCEXYMXPEVBLRL-CQSZACIVSA-N 1 0 373.413 2.151 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000267293765 329311365 /nfs/dbraw/zinc/31/13/65/329311365.db2.gz CZIPIUPPTPOQRQ-ZIAGYGMSSA-N 1 0 350.419 2.275 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000267437874 329327378 /nfs/dbraw/zinc/32/73/78/329327378.db2.gz NXUJMMFVZKACDL-PBHICJAKSA-N 1 0 371.441 2.127 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OC(F)F ZINC000267441761 329327638 /nfs/dbraw/zinc/32/76/38/329327638.db2.gz YWFDLSKHBBOCSW-LBPRGKRZSA-N 1 0 357.357 2.355 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267558271 329338207 /nfs/dbraw/zinc/33/82/07/329338207.db2.gz FVGSDJSGHHJKTE-KGLIPLIRSA-N 1 0 363.414 2.311 20 5 FEBDRO CCC[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031764 329479186 /nfs/dbraw/zinc/47/91/86/329479186.db2.gz RXQPKTCQQIPZEA-HOCLYGCPSA-N 1 0 355.460 2.450 20 5 FEBDRO COc1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1O ZINC000269121978 329487955 /nfs/dbraw/zinc/48/79/55/329487955.db2.gz GABJKMKTDOYHPG-LRDDRELGSA-N 1 0 354.428 2.453 20 5 FEBDRO CS[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000270619519 329615989 /nfs/dbraw/zinc/61/59/89/329615989.db2.gz DBWNPUJNGVRXOO-KBPBESRZSA-N 1 0 372.878 2.164 20 5 FEBDRO CS[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH+](C)C ZINC000270683058 329621794 /nfs/dbraw/zinc/62/17/94/329621794.db2.gz VJVUMYHSRAUSHQ-UONOGXRCSA-N 1 0 363.443 2.122 20 5 FEBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000271143793 329666374 /nfs/dbraw/zinc/66/63/74/329666374.db2.gz OXAMYIBFLUBXCC-OLZOCXBDSA-N 1 0 358.485 2.490 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000272346712 329772447 /nfs/dbraw/zinc/77/24/47/329772447.db2.gz XQKAJVSBTYSVSE-DTWKUNHWSA-N 1 0 359.329 2.014 20 5 FEBDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272384991 329776646 /nfs/dbraw/zinc/77/66/46/329776646.db2.gz HHOVRGNNMHVORS-ZIAGYGMSSA-N 1 0 371.441 2.215 20 5 FEBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000273379411 329860038 /nfs/dbraw/zinc/86/00/38/329860038.db2.gz HGTKZWXJHMBNDG-ZYHUDNBSSA-N 1 0 356.220 2.491 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)c1 ZINC000273520492 329871386 /nfs/dbraw/zinc/87/13/86/329871386.db2.gz PIXWILVWDMGSMC-CVEARBPZSA-N 1 0 365.455 2.255 20 5 FEBDRO COc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000275155085 330016292 /nfs/dbraw/zinc/01/62/92/330016292.db2.gz VDNIVZONEPTNCK-KGLIPLIRSA-N 1 0 360.357 2.496 20 5 FEBDRO CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000275827030 330093509 /nfs/dbraw/zinc/09/35/09/330093509.db2.gz SUVPNAWIVGXCFQ-CJNGLKHVSA-N 1 0 355.822 2.397 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)CO)o2)c(Br)c1 ZINC000276006400 330110789 /nfs/dbraw/zinc/11/07/89/330110789.db2.gz ASGBIHOGRRMXOG-JTQLQIEISA-N 1 0 371.187 2.060 20 5 FEBDRO CCCc1n[nH]c(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276244923 330133149 /nfs/dbraw/zinc/13/31/49/330133149.db2.gz MLGQSCJHIIRSOA-UHFFFAOYSA-N 1 0 359.430 2.305 20 5 FEBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000276443477 330152361 /nfs/dbraw/zinc/15/23/61/330152361.db2.gz JAEVYVRTHWZUNR-CMPLNLGQSA-N 1 0 360.357 2.498 20 5 FEBDRO CSc1ccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281817279 330176577 /nfs/dbraw/zinc/17/65/77/330176577.db2.gz QUCULBBMOQHCPX-UHFFFAOYSA-N 1 0 366.487 2.073 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299697077 330199266 /nfs/dbraw/zinc/19/92/66/330199266.db2.gz OLVLWHILIAXMON-KGLIPLIRSA-N 1 0 362.430 2.091 20 5 FEBDRO Cn1cc([C@H](O)C[C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461427 330244958 /nfs/dbraw/zinc/24/49/58/330244958.db2.gz XWFNYAWNDVZEAF-MAUKXSAKSA-N 1 0 360.414 2.295 20 5 FEBDRO COc1ccc(OCC[N@H+](CCO)[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000433184865 330275242 /nfs/dbraw/zinc/27/52/42/330275242.db2.gz YFKIABNGFWQMGH-ZDUSSCGKSA-N 1 0 356.444 2.172 20 5 FEBDRO COCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187587 330275692 /nfs/dbraw/zinc/27/56/92/330275692.db2.gz OLVLOJIKOHYVDA-CABCVRRESA-N 1 0 370.471 2.179 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000804778142 674300802 /nfs/dbraw/zinc/30/08/02/674300802.db2.gz RNXVSMAQHVAXGW-JTQLQIEISA-N 1 0 371.235 2.357 20 5 FEBDRO CC[NH+](CC)CCS(=O)(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000554949712 674342932 /nfs/dbraw/zinc/34/29/32/674342932.db2.gz STCSROWSJICNLG-UHFFFAOYSA-N 1 0 355.460 2.231 20 5 FEBDRO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000261657990 518185933 /nfs/dbraw/zinc/18/59/33/518185933.db2.gz KKBDUZPQQZLDRW-ZKYQVNSYSA-N 1 0 373.862 2.305 20 5 FEBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247555962 549356794 /nfs/dbraw/zinc/35/67/94/549356794.db2.gz TZYRDPOQEQBJHN-ACJLOTCBSA-N 1 0 369.425 2.334 20 5 FEBDRO C[C@](CO)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000156221704 545609503 /nfs/dbraw/zinc/60/95/03/545609503.db2.gz RETMZMCMOBDYNX-LJQANCHMSA-N 1 0 361.442 2.405 20 5 FEBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000157255669 545720155 /nfs/dbraw/zinc/72/01/55/545720155.db2.gz YQUOXLQLTYLABK-UHFFFAOYSA-N 1 0 358.398 2.087 20 5 FEBDRO C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158600621 545876222 /nfs/dbraw/zinc/87/62/22/545876222.db2.gz WVHUNTWEXQNUMY-ZDUSSCGKSA-N 1 0 353.444 2.232 20 5 FEBDRO Cc1ccc([C@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158842373 545899720 /nfs/dbraw/zinc/89/97/20/545899720.db2.gz JSYZJGLNLKXWIR-MAUKXSAKSA-N 1 0 362.382 2.309 20 5 FEBDRO C[N@H+](CCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732073 545976381 /nfs/dbraw/zinc/97/63/81/545976381.db2.gz MBFPHWIGOOZHGI-UHFFFAOYSA-N 1 0 351.790 2.421 20 5 FEBDRO COc1c[nH+]ccc1N1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000478460253 561167403 /nfs/dbraw/zinc/16/74/03/561167403.db2.gz IQMQPZAJFAVMDY-UHFFFAOYSA-N 1 0 356.382 2.269 20 5 FEBDRO COc1ccccc1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000176245374 546423567 /nfs/dbraw/zinc/42/35/67/546423567.db2.gz GMTCFUWZIHEPCU-INIZCTEOSA-N 1 0 360.414 2.481 20 5 FEBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176301635 546429527 /nfs/dbraw/zinc/42/95/27/546429527.db2.gz AFNFSIXYLAZTRY-OCCSQVGLSA-N 1 0 370.409 2.135 20 5 FEBDRO CC(C)(CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000480755302 561216042 /nfs/dbraw/zinc/21/60/42/561216042.db2.gz GJOXTRGVFQIYIF-UHFFFAOYSA-N 1 0 355.460 2.136 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000480949969 561221019 /nfs/dbraw/zinc/22/10/19/561221019.db2.gz HGBVLPFSVWDEDD-LBPRGKRZSA-N 1 0 355.460 2.222 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481047317 561223763 /nfs/dbraw/zinc/22/37/63/561223763.db2.gz SEBSRPVRJSUXKB-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO C[N@@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481851041 561243948 /nfs/dbraw/zinc/24/39/48/561243948.db2.gz HQKWWQVCLZIASO-WBVHZDCISA-N 1 0 354.410 2.221 20 5 FEBDRO C[N@@H+]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481851039 561244041 /nfs/dbraw/zinc/24/40/41/561244041.db2.gz HQKWWQVCLZIASO-NVXWUHKLSA-N 1 0 354.410 2.221 20 5 FEBDRO COCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000179350589 546936862 /nfs/dbraw/zinc/93/68/62/546936862.db2.gz BFMAKGWCGVQWCF-MRXNPFEDSA-N 1 0 365.430 2.359 20 5 FEBDRO CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000481965271 561246246 /nfs/dbraw/zinc/24/62/46/561246246.db2.gz GHNSHBMDSVYSDB-OAHLLOKOSA-N 1 0 363.458 2.226 20 5 FEBDRO CS(=O)(=O)NCCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180035115 547042103 /nfs/dbraw/zinc/04/21/03/547042103.db2.gz QSQGATLKNFBNMP-QGZVFWFLSA-N 1 0 363.439 2.213 20 5 FEBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180416009 547105118 /nfs/dbraw/zinc/10/51/18/547105118.db2.gz TXBQZVDAMANKNZ-PXAZEXFGSA-N 1 0 364.423 2.383 20 5 FEBDRO C[C@H]([NH2+]CC(=O)NCCN1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180437249 547108038 /nfs/dbraw/zinc/10/80/38/547108038.db2.gz PRPVXVMRGQTTTG-HNNXBMFYSA-N 1 0 368.437 2.424 20 5 FEBDRO C[C@@H]([NH2+]CC(=O)NC1CCC2(CC1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000180455198 547110206 /nfs/dbraw/zinc/11/02/06/547110206.db2.gz VIWHBLIUBIFZIV-CYBMUJFWSA-N 1 0 363.414 2.047 20 5 FEBDRO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000180480926 547116521 /nfs/dbraw/zinc/11/65/21/547116521.db2.gz JOAMCCYRVLXVJH-IBGZPJMESA-N 1 0 369.421 2.482 20 5 FEBDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277041 561272771 /nfs/dbraw/zinc/27/27/71/561272771.db2.gz IMHLIZNBIYTTFS-CJNGLKHVSA-N 1 0 361.398 2.264 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000181386706 547305260 /nfs/dbraw/zinc/30/52/60/547305260.db2.gz NBWCICDUXKXVAD-UHFFFAOYSA-N 1 0 355.460 2.256 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916440 547404261 /nfs/dbraw/zinc/40/42/61/547404261.db2.gz UVKFIUOIUUWEEY-IAGOWNOFSA-N 1 0 363.458 2.142 20 5 FEBDRO NC(=O)C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000181940904 547410129 /nfs/dbraw/zinc/41/01/29/547410129.db2.gz FBMXHVVOECNFRW-MRXNPFEDSA-N 1 0 374.397 2.010 20 5 FEBDRO O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCOCC1 ZINC000182026419 547424261 /nfs/dbraw/zinc/42/42/61/547424261.db2.gz GMATUFVFPSVWTB-AWEZNQCLSA-N 1 0 367.833 2.319 20 5 FEBDRO O=[N+]([O-])c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000182055285 547429430 /nfs/dbraw/zinc/42/94/30/547429430.db2.gz YINWRZXJRSFUHT-UHFFFAOYSA-N 1 0 352.866 2.462 20 5 FEBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000183181220 547617171 /nfs/dbraw/zinc/61/71/71/547617171.db2.gz UIGBMVROFBJRJT-KDOFPFPSSA-N 1 0 372.425 2.032 20 5 FEBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000484171666 561292810 /nfs/dbraw/zinc/29/28/10/561292810.db2.gz KFWFEYBMUMHCAH-ONGXEEELSA-N 1 0 356.220 2.096 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000183291299 547633820 /nfs/dbraw/zinc/63/38/20/547633820.db2.gz MZNBZVAORWGNSS-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000183398845 547650138 /nfs/dbraw/zinc/65/01/38/547650138.db2.gz UWZFWHZUWMWREG-LJQANCHMSA-N 1 0 369.421 2.400 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1nnc2n1CCCC2 ZINC000183847221 547728864 /nfs/dbraw/zinc/72/88/64/547728864.db2.gz SFNYNZPERLVTBG-GFCCVEGCSA-N 1 0 358.402 2.030 20 5 FEBDRO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184132835 547774314 /nfs/dbraw/zinc/77/43/14/547774314.db2.gz YCVOMIXCASILCT-CQSZACIVSA-N 1 0 355.460 2.279 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184193067 547784246 /nfs/dbraw/zinc/78/42/46/547784246.db2.gz AVEYNSLAYGOSCO-OAHLLOKOSA-N 1 0 369.425 2.309 20 5 FEBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184309792 547805896 /nfs/dbraw/zinc/80/58/96/547805896.db2.gz MLNFASZCAFSUTC-GFCCVEGCSA-N 1 0 354.838 2.004 20 5 FEBDRO COCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184815812 547882451 /nfs/dbraw/zinc/88/24/51/547882451.db2.gz IDRINJQPIUFOEP-UHFFFAOYSA-N 1 0 374.235 2.055 20 5 FEBDRO Cn1cc(-c2cc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000185034486 547920772 /nfs/dbraw/zinc/92/07/72/547920772.db2.gz WXEULRUYGOSRHX-ZDUSSCGKSA-N 1 0 369.385 2.065 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185093431 547932035 /nfs/dbraw/zinc/93/20/35/547932035.db2.gz YRLMRBCGXKGWGN-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000185764287 548032934 /nfs/dbraw/zinc/03/29/34/548032934.db2.gz ZPNCUFUIWBLQAG-AWEZNQCLSA-N 1 0 370.409 2.432 20 5 FEBDRO C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000485700999 561326202 /nfs/dbraw/zinc/32/62/02/561326202.db2.gz HSELMISVPIYNAU-LLVKDONJSA-N 1 0 351.403 2.196 20 5 FEBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186892362 548213872 /nfs/dbraw/zinc/21/38/72/548213872.db2.gz AUAOHHRACQMZII-LLVKDONJSA-N 1 0 356.785 2.470 20 5 FEBDRO [NH3+][C@H]1CC[C@@H]2CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]12 ZINC000186921688 548219605 /nfs/dbraw/zinc/21/96/05/548219605.db2.gz YVSVUROITOPWMG-OAGGEKHMSA-N 1 0 358.442 2.007 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1(N(C)C)CCC1 ZINC000186940607 548225187 /nfs/dbraw/zinc/22/51/87/548225187.db2.gz OOACWVSPMCMTPJ-UHFFFAOYSA-N 1 0 364.446 2.348 20 5 FEBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187002504 548238422 /nfs/dbraw/zinc/23/84/22/548238422.db2.gz DQSGZNBIOCCXQG-RYUDHWBXSA-N 1 0 350.419 2.182 20 5 FEBDRO CCN1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000193676960 548393091 /nfs/dbraw/zinc/39/30/91/548393091.db2.gz ZJTJPMVXUIVFEW-UHFFFAOYSA-N 1 0 363.462 2.442 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000193944272 548411355 /nfs/dbraw/zinc/41/13/55/548411355.db2.gz YPVVKZWZUKUKNT-UHFFFAOYSA-N 1 0 364.446 2.477 20 5 FEBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194736931 548523988 /nfs/dbraw/zinc/52/39/88/548523988.db2.gz MOHCRJFPXDJVBS-HNNXBMFYSA-N 1 0 354.410 2.429 20 5 FEBDRO C[N@@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000195138031 548582082 /nfs/dbraw/zinc/58/20/82/548582082.db2.gz PUXLQLUTHTVPGG-ICSRJNTNSA-N 1 0 371.437 2.323 20 5 FEBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000237176664 548804882 /nfs/dbraw/zinc/80/48/82/548804882.db2.gz LLWBWKHFOWQMHX-AWEZNQCLSA-N 1 0 367.471 2.295 20 5 FEBDRO C[C@H]1CN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000237586171 548836758 /nfs/dbraw/zinc/83/67/58/548836758.db2.gz FOWRZMQYJOFUMB-JTQLQIEISA-N 1 0 360.336 2.236 20 5 FEBDRO COc1ccc(NC(=O)CCN2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971136 561380401 /nfs/dbraw/zinc/38/04/01/561380401.db2.gz MWJOKNWUPYTSLO-QGZVFWFLSA-N 1 0 364.446 2.204 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245660553 548969375 /nfs/dbraw/zinc/96/93/75/548969375.db2.gz PPFGVSPBNZFANO-DLBZAZTESA-N 1 0 368.393 2.095 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N2CC[N@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095707 561383456 /nfs/dbraw/zinc/38/34/56/561383456.db2.gz RSQVTSVLPJXBIN-GUYCJALGSA-N 1 0 364.446 2.202 20 5 FEBDRO NC(=O)c1ccc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000245853238 549004359 /nfs/dbraw/zinc/00/43/59/549004359.db2.gz JPQLPQDVVZFYBX-GJZGRUSLSA-N 1 0 365.455 2.180 20 5 FEBDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000488506992 561390998 /nfs/dbraw/zinc/39/09/98/561390998.db2.gz VLYWDJKBBFYJAJ-XZOAIXRZSA-N 1 0 357.414 2.482 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C ZINC000246894025 549237730 /nfs/dbraw/zinc/23/77/30/549237730.db2.gz FNAHWRYEDNZJHI-OCCSQVGLSA-N 1 0 353.444 2.069 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000246904574 549239453 /nfs/dbraw/zinc/23/94/53/549239453.db2.gz MFQKPKORXFXCLV-KBPBESRZSA-N 1 0 364.446 2.204 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000246984412 549257601 /nfs/dbraw/zinc/25/76/01/549257601.db2.gz JWIMPPWDWPYEOE-JSGCOSHPSA-N 1 0 355.460 2.315 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000247098037 549282597 /nfs/dbraw/zinc/28/25/97/549282597.db2.gz PWWAVRUBSSOGIY-BBRMVZONSA-N 1 0 353.444 2.008 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247192947 549297346 /nfs/dbraw/zinc/29/73/46/549297346.db2.gz BMVSWHCTVYKWQN-JSGCOSHPSA-N 1 0 365.430 2.414 20 5 FEBDRO COc1cc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000489320301 561408020 /nfs/dbraw/zinc/40/80/20/561408020.db2.gz CVVKTJNZCBQFRG-CQSZACIVSA-N 1 0 351.403 2.024 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248217515 549416890 /nfs/dbraw/zinc/41/68/90/549416890.db2.gz ZXIFFHZGVQKQKR-KBXCAEBGSA-N 1 0 369.425 2.337 20 5 FEBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]12 ZINC000248587459 549463895 /nfs/dbraw/zinc/46/38/95/549463895.db2.gz GJFOYBSPNANPMU-YDEJPDAXSA-N 1 0 354.204 2.167 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000248694571 549486415 /nfs/dbraw/zinc/48/64/15/549486415.db2.gz KKLIJYJPEJQYQQ-FZKQIMNGSA-N 1 0 369.425 2.212 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000248936202 549529219 /nfs/dbraw/zinc/52/92/19/549529219.db2.gz YIVKLQGCJJASKI-CZUORRHYSA-N 1 0 354.410 2.427 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249006045 549538802 /nfs/dbraw/zinc/53/88/02/549538802.db2.gz JAWPYTGLTIEWOB-KGLIPLIRSA-N 1 0 355.460 2.172 20 5 FEBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000249172206 549564489 /nfs/dbraw/zinc/56/44/89/549564489.db2.gz LMMXWGGMJCWEMY-KGLIPLIRSA-N 1 0 355.460 2.135 20 5 FEBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000250639874 549644075 /nfs/dbraw/zinc/64/40/75/549644075.db2.gz SQVGWZRVZWRNSY-MJBXVCDLSA-N 1 0 362.430 2.016 20 5 FEBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251683956 549651021 /nfs/dbraw/zinc/65/10/21/549651021.db2.gz JCWAGBWQBWIZIU-BLLLJJGKSA-N 1 0 351.403 2.289 20 5 FEBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000261788048 549755837 /nfs/dbraw/zinc/75/58/37/549755837.db2.gz KQFGJDFOWRTTJT-ZJUUUORDSA-N 1 0 356.220 2.096 20 5 FEBDRO COc1cc(OCC(=O)N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000261796492 549756088 /nfs/dbraw/zinc/75/60/88/549756088.db2.gz VEDZNLQFUHOPMO-UHFFFAOYSA-N 1 0 373.409 2.012 20 5 FEBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000490242162 561429505 /nfs/dbraw/zinc/42/95/05/561429505.db2.gz GWCZJAFHPKGNED-INIZCTEOSA-N 1 0 352.822 2.485 20 5 FEBDRO COC(=O)c1cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc([N+](=O)[O-])c1 ZINC000262199119 549797650 /nfs/dbraw/zinc/79/76/50/549797650.db2.gz MVYJLBXJOJVUNN-FVGKDHOHSA-N 1 0 361.398 2.474 20 5 FEBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1c1ccccc1 ZINC000262266728 549804014 /nfs/dbraw/zinc/80/40/14/549804014.db2.gz RZCSSHBVWNXZPE-ZBFHGGJFSA-N 1 0 373.384 2.314 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262305976 549808728 /nfs/dbraw/zinc/80/87/28/549808728.db2.gz YDXLDVUQXUSJRZ-MRXNPFEDSA-N 1 0 361.423 2.069 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000263923346 549955357 /nfs/dbraw/zinc/95/53/57/549955357.db2.gz FKGXZGQRJUAUDL-CYBMUJFWSA-N 1 0 371.434 2.373 20 5 FEBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268284430 550044885 /nfs/dbraw/zinc/04/48/85/550044885.db2.gz XFQRSONQXKLOKQ-ZDUSSCGKSA-N 1 0 355.460 2.388 20 5 FEBDRO Cc1nnc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268421280 550062978 /nfs/dbraw/zinc/06/29/78/550062978.db2.gz CPNCEZYDMNXJPZ-CYBMUJFWSA-N 1 0 358.402 2.230 20 5 FEBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000268858126 550123856 /nfs/dbraw/zinc/12/38/56/550123856.db2.gz RIZMMIAWXHBUIF-IUODEOHRSA-N 1 0 360.366 2.414 20 5 FEBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000269031758 550146553 /nfs/dbraw/zinc/14/65/53/550146553.db2.gz RXQPKTCQQIPZEA-GDBMZVCRSA-N 1 0 355.460 2.450 20 5 FEBDRO C[C@@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000269197474 550166609 /nfs/dbraw/zinc/16/66/09/550166609.db2.gz LSLAYABCSQUCKR-NXEZZACHSA-N 1 0 356.220 2.475 20 5 FEBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000492816956 561452948 /nfs/dbraw/zinc/45/29/48/561452948.db2.gz QYYAKDDMPJMVIT-NUTKFTJISA-N 1 0 373.413 2.165 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC000493708184 561457758 /nfs/dbraw/zinc/45/77/58/561457758.db2.gz OZXREGGBLFALQE-XNJJOIOASA-N 1 0 351.403 2.071 20 5 FEBDRO C[NH+](C)CCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1=O ZINC000270269566 550258182 /nfs/dbraw/zinc/25/81/82/550258182.db2.gz SYSIOVRQWVOQQE-UHFFFAOYSA-N 1 0 364.789 2.224 20 5 FEBDRO CS[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1[NH+](C)C ZINC000270671310 550295354 /nfs/dbraw/zinc/29/53/54/550295354.db2.gz RMWOIASFIHTCEY-KBPBESRZSA-N 1 0 363.443 2.122 20 5 FEBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000271143787 550345090 /nfs/dbraw/zinc/34/50/90/550345090.db2.gz OWTYOHBBEXGQNT-OCCSQVGLSA-N 1 0 371.459 2.068 20 5 FEBDRO CC(C)c1n[nH]c(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000271460920 550376990 /nfs/dbraw/zinc/37/69/90/550376990.db2.gz XIBBYVYTDQXUNU-UHFFFAOYSA-N 1 0 372.429 2.483 20 5 FEBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538934 550456651 /nfs/dbraw/zinc/45/66/51/550456651.db2.gz RONGCKMOZDWFHZ-CHWSQXEVSA-N 1 0 353.423 2.026 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)c1 ZINC000273520498 550501656 /nfs/dbraw/zinc/50/16/56/550501656.db2.gz PIXWILVWDMGSMC-HZPDHXFCSA-N 1 0 365.455 2.255 20 5 FEBDRO COc1cc(C[NH2+]C[C@@](C)(O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494635529 561472930 /nfs/dbraw/zinc/47/29/30/561472930.db2.gz UQJAYUGNCFEQIC-MRXNPFEDSA-N 1 0 360.357 2.498 20 5 FEBDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000494686809 561474341 /nfs/dbraw/zinc/47/43/41/561474341.db2.gz SNLPQFLCLNLOGH-HNNXBMFYSA-N 1 0 365.430 2.176 20 5 FEBDRO CCOc1cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)ccc1[N+](=O)[O-] ZINC000276904004 550609470 /nfs/dbraw/zinc/60/94/70/550609470.db2.gz MBQVVENOUHWMQF-MRXNPFEDSA-N 1 0 370.446 2.228 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000277034191 550624401 /nfs/dbraw/zinc/62/44/01/550624401.db2.gz OMMVVCHFNXHFCC-AWEZNQCLSA-N 1 0 355.460 2.316 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 ZINC000277311073 550654825 /nfs/dbraw/zinc/65/48/25/550654825.db2.gz PZTRTRHFNLJETH-GUYCJALGSA-N 1 0 360.414 2.031 20 5 FEBDRO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@@H+]1CCC[C@H](C)C1 ZINC000277605936 550690853 /nfs/dbraw/zinc/69/08/53/550690853.db2.gz AMGHIXGOECROGK-QWHCGFSZSA-N 1 0 374.445 2.391 20 5 FEBDRO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCCC1 ZINC000277698980 550703270 /nfs/dbraw/zinc/70/32/70/550703270.db2.gz HMMAZQYMWZJOMS-ZDUSSCGKSA-N 1 0 374.445 2.392 20 5 FEBDRO CC(C)[NH+]1CCC(NC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277769918 550712024 /nfs/dbraw/zinc/71/20/24/550712024.db2.gz LCYSQCYAGOJAGA-UHFFFAOYSA-N 1 0 360.418 2.143 20 5 FEBDRO C[C@H]1C[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1C ZINC000278142866 550753959 /nfs/dbraw/zinc/75/39/59/550753959.db2.gz AGZQNWZPWNHCHW-RYUDHWBXSA-N 1 0 360.418 2.095 20 5 FEBDRO C[NH+]1CCN(c2ccc(CNc3nc4cc([N+](=O)[O-])ccc4[nH]3)cn2)CC1 ZINC000278389026 550780285 /nfs/dbraw/zinc/78/02/85/550780285.db2.gz FRQBPICOVRPQTB-UHFFFAOYSA-N 1 0 367.413 2.230 20 5 FEBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278510515 550793712 /nfs/dbraw/zinc/79/37/12/550793712.db2.gz YCOLBMPTHCBCME-HNNXBMFYSA-N 1 0 359.474 2.169 20 5 FEBDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000278519056 550794516 /nfs/dbraw/zinc/79/45/16/550794516.db2.gz MQVNBIUIDCVVGH-AWEZNQCLSA-N 1 0 372.425 2.374 20 5 FEBDRO COC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000279114388 550855535 /nfs/dbraw/zinc/85/55/35/550855535.db2.gz SWZITRSTBDWLOR-ZBFHGGJFSA-N 1 0 351.403 2.015 20 5 FEBDRO Cn1cc(N2CC[C@H]([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)C2=O)cn1 ZINC000279130791 550857290 /nfs/dbraw/zinc/85/72/90/550857290.db2.gz RAICHBWNOFIMKR-IRXDYDNUSA-N 1 0 369.425 2.446 20 5 FEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279831381 550933761 /nfs/dbraw/zinc/93/37/61/550933761.db2.gz RCIXVWLMEGPWOD-AWEZNQCLSA-N 1 0 363.414 2.193 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280337144 550982392 /nfs/dbraw/zinc/98/23/92/550982392.db2.gz HNJCKNCIHNATEP-KDOFPFPSSA-N 1 0 363.414 2.112 20 5 FEBDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000282746344 551265926 /nfs/dbraw/zinc/26/59/26/551265926.db2.gz NLWFKIVPSBWRAQ-CJNGLKHVSA-N 1 0 356.444 2.163 20 5 FEBDRO COc1ccc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1[N+](=O)[O-] ZINC000282965896 551290740 /nfs/dbraw/zinc/29/07/40/551290740.db2.gz YSCGHVIWLYOXFM-WMLDXEAASA-N 1 0 350.415 2.261 20 5 FEBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000283030981 551300330 /nfs/dbraw/zinc/30/03/30/551300330.db2.gz HRBILHCEHMJGON-NXEZZACHSA-N 1 0 357.794 2.364 20 5 FEBDRO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1ccsc1 ZINC000283615504 551397290 /nfs/dbraw/zinc/39/72/90/551397290.db2.gz ZWBGGZPKKLOQMM-AWEZNQCLSA-N 1 0 352.391 2.410 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000497921724 561511363 /nfs/dbraw/zinc/51/13/63/561511363.db2.gz PJQYKBNUKGZZDT-UHFFFAOYSA-N 1 0 351.451 2.261 20 5 FEBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000284048376 551474317 /nfs/dbraw/zinc/47/43/17/551474317.db2.gz JKDBXSGNHPEMMS-CQSZACIVSA-N 1 0 350.375 2.417 20 5 FEBDRO COc1cc(C(=O)N2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000498170027 561517681 /nfs/dbraw/zinc/51/76/81/561517681.db2.gz RQHRGBDMWHOMME-UHFFFAOYSA-N 1 0 373.356 2.371 20 5 FEBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285028705 551692941 /nfs/dbraw/zinc/69/29/41/551692941.db2.gz ZZNFLPWYBIAESJ-HNNXBMFYSA-N 1 0 363.414 2.342 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285208428 551720907 /nfs/dbraw/zinc/72/09/07/551720907.db2.gz DLEDUFCDVBYFJF-UKRRQHHQSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000285359177 551743698 /nfs/dbraw/zinc/74/36/98/551743698.db2.gz QDPDKKPJYGPAQK-RHSMWYFYSA-N 1 0 367.471 2.026 20 5 FEBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000285578441 551777755 /nfs/dbraw/zinc/77/77/55/551777755.db2.gz OFEPLZYPBCZZMA-WMLDXEAASA-N 1 0 358.442 2.043 20 5 FEBDRO COc1ccc(C[NH2+]CCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000285606130 551782073 /nfs/dbraw/zinc/78/20/73/551782073.db2.gz VNQSZWACCONPNG-UHFFFAOYSA-N 1 0 369.377 2.379 20 5 FEBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286255196 551866014 /nfs/dbraw/zinc/86/60/14/551866014.db2.gz PMHLHUXBFFOVKF-FUNVUKJBSA-N 1 0 351.378 2.196 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000286565346 551900490 /nfs/dbraw/zinc/90/04/90/551900490.db2.gz DOKICWRGPWQRDP-DZGCQCFKSA-N 1 0 353.444 2.151 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000286684126 551914324 /nfs/dbraw/zinc/91/43/24/551914324.db2.gz AHKCFGBOPLFZTF-RHSMWYFYSA-N 1 0 358.442 2.043 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000286731435 551919998 /nfs/dbraw/zinc/91/99/98/551919998.db2.gz JYQAHYCGEBOZAQ-DOTOQJQBSA-N 1 0 369.425 2.445 20 5 FEBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000286787294 551925839 /nfs/dbraw/zinc/92/58/39/551925839.db2.gz RVSGOWALDSBYSW-GOEBONIOSA-N 1 0 367.471 2.026 20 5 FEBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000286903607 551938345 /nfs/dbraw/zinc/93/83/45/551938345.db2.gz LWGXQUFYUNYHKD-RHSMWYFYSA-N 1 0 358.442 2.043 20 5 FEBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000286981587 551947669 /nfs/dbraw/zinc/94/76/69/551947669.db2.gz ORUROBCPPNWTFJ-HNNXBMFYSA-N 1 0 351.790 2.123 20 5 FEBDRO COc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000287228562 551978704 /nfs/dbraw/zinc/97/87/04/551978704.db2.gz QJDFXYFTOKRQJR-YIONKMFJSA-N 1 0 362.430 2.370 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000287258596 551982044 /nfs/dbraw/zinc/98/20/44/551982044.db2.gz KQRRKDQIJBTZSU-AWEZNQCLSA-N 1 0 362.430 2.397 20 5 FEBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000287505303 552013083 /nfs/dbraw/zinc/01/30/83/552013083.db2.gz URHTVVNYIQBNPE-KRWDZBQOSA-N 1 0 360.458 2.404 20 5 FEBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000287621492 552026519 /nfs/dbraw/zinc/02/65/19/552026519.db2.gz ZEJSLJYTYJBYTI-UHFFFAOYSA-N 1 0 363.414 2.329 20 5 FEBDRO C[NH+](C)C1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287982269 552070697 /nfs/dbraw/zinc/07/06/97/552070697.db2.gz AORUPNDUCNAWIQ-UHFFFAOYSA-N 1 0 350.448 2.037 20 5 FEBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000500131405 561566710 /nfs/dbraw/zinc/56/67/10/561566710.db2.gz MPMRRCBVFZPYIV-UHFFFAOYSA-N 1 0 370.409 2.386 20 5 FEBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288864692 552227005 /nfs/dbraw/zinc/22/70/05/552227005.db2.gz LHQKZELLPZDGSY-SJORKVTESA-N 1 0 373.457 2.415 20 5 FEBDRO CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000500115679 561566224 /nfs/dbraw/zinc/56/62/24/561566224.db2.gz SJQWLOXBMKXWEH-CQSZACIVSA-N 1 0 355.460 2.446 20 5 FEBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+](C)C ZINC000500176529 561567301 /nfs/dbraw/zinc/56/73/01/561567301.db2.gz FRIIURODLJKDMT-PBHICJAKSA-N 1 0 374.445 2.090 20 5 FEBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCCCO)c1 ZINC000289498249 552331248 /nfs/dbraw/zinc/33/12/48/552331248.db2.gz LRJNJVXZESDLEZ-UHFFFAOYSA-N 1 0 350.156 2.062 20 5 FEBDRO C[C@H](O)CC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289530942 552335939 /nfs/dbraw/zinc/33/59/39/552335939.db2.gz BUNQSVDHQVVJSF-VIFPVBQESA-N 1 0 364.183 2.402 20 5 FEBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289718099 552367539 /nfs/dbraw/zinc/36/75/39/552367539.db2.gz JMFRFFVWHWAABE-UHFFFAOYSA-N 1 0 355.414 2.081 20 5 FEBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290361661 552467015 /nfs/dbraw/zinc/46/70/15/552467015.db2.gz KEPPLJKBTVZKCD-LLVKDONJSA-N 1 0 370.837 2.423 20 5 FEBDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000290551345 552497198 /nfs/dbraw/zinc/49/71/98/552497198.db2.gz RUWHOPHOHLRBGG-CYBMUJFWSA-N 1 0 363.414 2.056 20 5 FEBDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290791342 552538593 /nfs/dbraw/zinc/53/85/93/552538593.db2.gz QKQVDRRRRQPIIA-SECBINFHSA-N 1 0 365.814 2.102 20 5 FEBDRO C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290890968 552556393 /nfs/dbraw/zinc/55/63/93/552556393.db2.gz DNNIDBIHUPYMBW-OAHLLOKOSA-N 1 0 365.478 2.181 20 5 FEBDRO CC[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000291013063 552575941 /nfs/dbraw/zinc/57/59/41/552575941.db2.gz WNQJXLPSDMDSLV-HNNXBMFYSA-N 1 0 369.425 2.190 20 5 FEBDRO C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501164115 561591744 /nfs/dbraw/zinc/59/17/44/561591744.db2.gz OATUAPFXDIRAPX-UHFFFAOYSA-N 1 0 361.851 2.211 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000292919171 552771239 /nfs/dbraw/zinc/77/12/39/552771239.db2.gz XVOFRDJIECURNK-KRWDZBQOSA-N 1 0 367.471 2.318 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293069365 552785745 /nfs/dbraw/zinc/78/57/45/552785745.db2.gz IXOQOVZRMVMFRF-MRXNPFEDSA-N 1 0 360.458 2.227 20 5 FEBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293321655 552811001 /nfs/dbraw/zinc/81/10/01/552811001.db2.gz IPSCEKDHHYHFIU-UHFFFAOYSA-N 1 0 372.425 2.179 20 5 FEBDRO O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293407189 552820317 /nfs/dbraw/zinc/82/03/17/552820317.db2.gz MYCKDJISIKTYDK-YOEHRIQHSA-N 1 0 358.442 2.409 20 5 FEBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720353 552850164 /nfs/dbraw/zinc/85/01/64/552850164.db2.gz MLFSNMZVZPXOFE-GFCCVEGCSA-N 1 0 358.398 2.353 20 5 FEBDRO C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@@H+](C2CCC2)C1 ZINC000293727733 552850829 /nfs/dbraw/zinc/85/08/29/552850829.db2.gz QBLPWOLJZSVZDK-GFCCVEGCSA-N 1 0 361.398 2.270 20 5 FEBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000294130985 552884351 /nfs/dbraw/zinc/88/43/51/552884351.db2.gz MHVNCVBMAPFMKY-LJQANCHMSA-N 1 0 369.425 2.338 20 5 FEBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778865 561605301 /nfs/dbraw/zinc/60/53/01/561605301.db2.gz WPEISYRFHCLSHM-IAGOWNOFSA-N 1 0 370.453 2.351 20 5 FEBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295357278 552993461 /nfs/dbraw/zinc/99/34/61/552993461.db2.gz VUUMBHZSZNTLTC-UHFFFAOYSA-N 1 0 352.410 2.356 20 5 FEBDRO Cc1cc(Cl)c(C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000295742003 553053127 /nfs/dbraw/zinc/05/31/27/553053127.db2.gz GJDUKFVLQQFSEN-UHFFFAOYSA-N 1 0 368.865 2.266 20 5 FEBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000502243561 561615019 /nfs/dbraw/zinc/61/50/19/561615019.db2.gz XXMPOOFJQIGCTO-KCXAZCMYSA-N 1 0 353.444 2.041 20 5 FEBDRO CC1(C)[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OCc1ccccc1 ZINC000296089746 553103072 /nfs/dbraw/zinc/10/30/72/553103072.db2.gz HJDJEVVFXOPIAL-KZNAEPCWSA-N 1 0 374.441 2.126 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000296146804 553112569 /nfs/dbraw/zinc/11/25/69/553112569.db2.gz JYOYDIXBCCTGBQ-JLZZUVOBSA-N 1 0 363.414 2.335 20 5 FEBDRO Cc1cc(F)c(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000296627671 553190013 /nfs/dbraw/zinc/19/00/13/553190013.db2.gz CBISZLJFTHKIDA-UHFFFAOYSA-N 1 0 366.393 2.371 20 5 FEBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000296889786 553225803 /nfs/dbraw/zinc/22/58/03/553225803.db2.gz JRIJASAXDAOVAT-CQSZACIVSA-N 1 0 357.414 2.337 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297749283 553333985 /nfs/dbraw/zinc/33/39/85/553333985.db2.gz DPMZRJHERWUTMC-LLVKDONJSA-N 1 0 368.821 2.177 20 5 FEBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000297861674 553349392 /nfs/dbraw/zinc/34/93/92/553349392.db2.gz IACQJTRUMCDOGD-HOCLYGCPSA-N 1 0 364.446 2.110 20 5 FEBDRO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025666 553373077 /nfs/dbraw/zinc/37/30/77/553373077.db2.gz DVHRRTAMXQWYTQ-TZMCWYRMSA-N 1 0 362.430 2.078 20 5 FEBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298284395 553408220 /nfs/dbraw/zinc/40/82/20/553408220.db2.gz XHWNQKYKBAHUNL-AWEZNQCLSA-N 1 0 362.430 2.141 20 5 FEBDRO CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000503452812 561641728 /nfs/dbraw/zinc/64/17/28/561641728.db2.gz IDUGWWWTAFKXAM-RHSMWYFYSA-N 1 0 369.487 2.272 20 5 FEBDRO Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299189535 553527694 /nfs/dbraw/zinc/52/76/94/553527694.db2.gz CTXFZRBYWLKSBK-UHFFFAOYSA-N 1 0 374.441 2.365 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299197271 553528993 /nfs/dbraw/zinc/52/89/93/553528993.db2.gz FHYHOFUSNHXTTB-AWEZNQCLSA-N 1 0 362.430 2.032 20 5 FEBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299235687 553534841 /nfs/dbraw/zinc/53/48/41/553534841.db2.gz JUMCBCXNFBENAD-LBPRGKRZSA-N 1 0 351.403 2.072 20 5 FEBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000299343160 553550724 /nfs/dbraw/zinc/55/07/24/553550724.db2.gz QLNNGGWVSHGNSZ-ZIAGYGMSSA-N 1 0 362.430 2.139 20 5 FEBDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C(N)=O)c1cccc([N+](=O)[O-])c1 ZINC000299623446 553590582 /nfs/dbraw/zinc/59/05/82/553590582.db2.gz JOWAGTYKRSLKQG-SNVBAGLBSA-N 1 0 362.411 2.435 20 5 FEBDRO COCCC[NH+]1CCC(Nc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000301176261 553628458 /nfs/dbraw/zinc/62/84/58/553628458.db2.gz ZJOMLPOTLACVNX-UHFFFAOYSA-N 1 0 361.402 2.156 20 5 FEBDRO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301259088 553636907 /nfs/dbraw/zinc/63/69/07/553636907.db2.gz UPHYUHRJRWKIRN-CYBMUJFWSA-N 1 0 357.414 2.313 20 5 FEBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277138 553638524 /nfs/dbraw/zinc/63/85/24/553638524.db2.gz ZEILLNJCAAPZDG-JHJVBQTASA-N 1 0 370.475 2.021 20 5 FEBDRO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000301345027 553644146 /nfs/dbraw/zinc/64/41/46/553644146.db2.gz JYGFLEHIDXDEEX-AWEZNQCLSA-N 1 0 357.414 2.090 20 5 FEBDRO Cc1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000301511594 553656799 /nfs/dbraw/zinc/65/67/99/553656799.db2.gz BPIOJXVQESAKCQ-UHFFFAOYSA-N 1 0 363.462 2.337 20 5 FEBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C(=O)COC)CC2)cc1[N+](=O)[O-] ZINC000504893000 561663676 /nfs/dbraw/zinc/66/36/76/561663676.db2.gz AOTOWCCXWRABEA-ZDUSSCGKSA-N 1 0 365.430 2.282 20 5 FEBDRO Cc1nc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000301668312 553669854 /nfs/dbraw/zinc/66/98/54/553669854.db2.gz PIHOMOQIWNARSZ-CQSZACIVSA-N 1 0 356.430 2.316 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(OC(F)F)c1 ZINC000302047183 553700611 /nfs/dbraw/zinc/70/06/11/553700611.db2.gz LMHUCVKBRJGQKQ-LBPRGKRZSA-N 1 0 357.357 2.355 20 5 FEBDRO C[C@@H]1CCC[C@](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000302114464 553705020 /nfs/dbraw/zinc/70/50/20/553705020.db2.gz BYKGVRQAPFCTLC-WBMJQRKESA-N 1 0 370.475 2.165 20 5 FEBDRO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507380841 561727214 /nfs/dbraw/zinc/72/72/14/561727214.db2.gz MJOCKQKXRTVHQT-KGLIPLIRSA-N 1 0 355.460 2.444 20 5 FEBDRO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330891743 554183994 /nfs/dbraw/zinc/18/39/94/554183994.db2.gz KHDKNCGYVLWAMA-LBPRGKRZSA-N 1 0 359.423 2.086 20 5 FEBDRO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000331363161 554250864 /nfs/dbraw/zinc/25/08/64/554250864.db2.gz AEBQXLDKCNTVMK-MTCRFPMVSA-N 1 0 359.426 2.057 20 5 FEBDRO CC(C)(C)CN1CCC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000331398732 554257403 /nfs/dbraw/zinc/25/74/03/554257403.db2.gz OPGJSDGZPBTQIH-HNNXBMFYSA-N 1 0 363.462 2.465 20 5 FEBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000331824936 554326085 /nfs/dbraw/zinc/32/60/85/554326085.db2.gz WOOGGEIEKRWIJH-ZNMIVQPWSA-N 1 0 363.462 2.390 20 5 FEBDRO O=C1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H]2CCCCN12 ZINC000509398498 561797745 /nfs/dbraw/zinc/79/77/45/561797745.db2.gz ANBGEJPGHCSWAM-OLZOCXBDSA-N 1 0 355.341 2.439 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000332075836 554374610 /nfs/dbraw/zinc/37/46/10/554374610.db2.gz FYOSERRNAMHHPK-GJZGRUSLSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000332080834 554375660 /nfs/dbraw/zinc/37/56/60/554375660.db2.gz KOMHZUZNXJBGML-UKRRQHHQSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1C ZINC000332083663 554376601 /nfs/dbraw/zinc/37/66/01/554376601.db2.gz PAXOLRUFMAPGBW-HUUCEWRRSA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C ZINC000332099723 554380226 /nfs/dbraw/zinc/38/02/26/554380226.db2.gz YDKJFQYBODWYRA-CABCVRRESA-N 1 0 367.471 2.459 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332225118 554404309 /nfs/dbraw/zinc/40/43/09/554404309.db2.gz BOTOTGFWLHIZTD-KGLIPLIRSA-N 1 0 353.444 2.117 20 5 FEBDRO C[NH+](C)CC1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 ZINC000332465426 554451016 /nfs/dbraw/zinc/45/10/16/554451016.db2.gz QNGLIXAGQYGCFS-UHFFFAOYSA-N 1 0 363.462 2.467 20 5 FEBDRO CCOC(=O)C1CCC(O)(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332536423 554466510 /nfs/dbraw/zinc/46/65/10/554466510.db2.gz IUALRJFQJBORHX-UHFFFAOYSA-N 1 0 362.426 2.437 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332564704 554472560 /nfs/dbraw/zinc/47/25/60/554472560.db2.gz WNXVQDRBCUETET-GFCCVEGCSA-N 1 0 366.393 2.451 20 5 FEBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1N)[NH+](C)C ZINC000510546092 561838259 /nfs/dbraw/zinc/83/82/59/561838259.db2.gz IDQXUIMXSFCGJL-LRDDRELGSA-N 1 0 357.414 2.302 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000510998710 561853525 /nfs/dbraw/zinc/85/35/25/561853525.db2.gz FLYMJUAYXXVGTD-AWEZNQCLSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(-c2nc(CC(=O)N3CCC([NH+](C)C)CC3)no2)ccc1[N+](=O)[O-] ZINC000350924970 554822643 /nfs/dbraw/zinc/82/26/43/554822643.db2.gz JNKPQSWGRIVFPO-UHFFFAOYSA-N 1 0 373.413 2.048 20 5 FEBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000360928649 554895908 /nfs/dbraw/zinc/89/59/08/554895908.db2.gz NXLPIVLDBCJDAA-MRXNPFEDSA-N 1 0 363.462 2.214 20 5 FEBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361581159 554925523 /nfs/dbraw/zinc/92/55/23/554925523.db2.gz HTEAACCBCOBVPE-INIZCTEOSA-N 1 0 369.425 2.481 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787821 554988425 /nfs/dbraw/zinc/98/84/25/554988425.db2.gz LCBLCUDWFQLBKC-DLBZAZTESA-N 1 0 374.441 2.132 20 5 FEBDRO O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000362930723 555000510 /nfs/dbraw/zinc/00/05/10/555000510.db2.gz FVFUYUFIGMSJMM-LRDDRELGSA-N 1 0 367.833 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000362957283 555002961 /nfs/dbraw/zinc/00/29/61/555002961.db2.gz DSTQXPFLCCJCPG-SFHVURJKSA-N 1 0 362.474 2.205 20 5 FEBDRO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363118322 555033988 /nfs/dbraw/zinc/03/39/88/555033988.db2.gz WKSIVGKUUODFLQ-JVLSTEMRSA-N 1 0 351.353 2.429 20 5 FEBDRO O=C(c1ccco1)N1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363379978 555089843 /nfs/dbraw/zinc/08/98/43/555089843.db2.gz AIRFCNQPNZVKOE-UHFFFAOYSA-N 1 0 359.382 2.415 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424214 555102104 /nfs/dbraw/zinc/10/21/04/555102104.db2.gz PMQNMCSCHPMJJJ-MRRJBJDNSA-N 1 0 365.405 2.353 20 5 FEBDRO C[C@H]1[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC12CCOCC2 ZINC000363798783 555188554 /nfs/dbraw/zinc/18/85/54/555188554.db2.gz XXFAKZMEEWDXNE-CQSZACIVSA-N 1 0 359.426 2.375 20 5 FEBDRO COc1cc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000364062237 555242945 /nfs/dbraw/zinc/24/29/45/555242945.db2.gz GGSGJYUBKFCUNJ-DHSIGJKJSA-N 1 0 367.421 2.426 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)c1C ZINC000364179761 555264002 /nfs/dbraw/zinc/26/40/02/555264002.db2.gz HAHUVEBALGSGDS-CVEARBPZSA-N 1 0 353.444 2.104 20 5 FEBDRO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340109 555294447 /nfs/dbraw/zinc/29/44/47/555294447.db2.gz RKKGNFBGKROVCB-LSDHHAIUSA-N 1 0 352.387 2.146 20 5 FEBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427814 555312113 /nfs/dbraw/zinc/31/21/13/555312113.db2.gz SAVGPPMHWONYPW-IVMMDQJWSA-N 1 0 365.405 2.353 20 5 FEBDRO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000364557493 555337382 /nfs/dbraw/zinc/33/73/82/555337382.db2.gz FPLBKAKPZOLRRG-XYYAHUGASA-N 1 0 353.806 2.498 20 5 FEBDRO COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c([N+](=O)[O-])cc1OC(F)F ZINC000364587063 555345366 /nfs/dbraw/zinc/34/53/66/555345366.db2.gz NQGZFCNMMMTIDR-ILWJIGKKSA-N 1 0 371.340 2.299 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365265805 555527301 /nfs/dbraw/zinc/52/73/01/555527301.db2.gz JFFZQHCNFNYONQ-WRWLIDTKSA-N 1 0 372.421 2.220 20 5 FEBDRO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[N@@H+]2CCC[C@H]2C1 ZINC000365617747 555624405 /nfs/dbraw/zinc/62/44/05/555624405.db2.gz CXGFUJWXKSTXRC-QMMMGPOBSA-N 1 0 360.233 2.339 20 5 FEBDRO C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365776818 555665614 /nfs/dbraw/zinc/66/56/14/555665614.db2.gz DGCAQHISYMWSSM-DZGCQCFKSA-N 1 0 360.345 2.010 20 5 FEBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000365866831 555687396 /nfs/dbraw/zinc/68/73/96/555687396.db2.gz YLAOKEODGHZFFW-GFCCVEGCSA-N 1 0 351.378 2.059 20 5 FEBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000366202323 555780516 /nfs/dbraw/zinc/78/05/16/555780516.db2.gz OBAOBGBGBMYUMG-CYBMUJFWSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000366495583 555860259 /nfs/dbraw/zinc/86/02/59/555860259.db2.gz XJEQDKKTIUSWKV-HIFRSBDPSA-N 1 0 353.444 2.056 20 5 FEBDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366578926 555881954 /nfs/dbraw/zinc/88/19/54/555881954.db2.gz QKFDSSAGIKXIGI-KSSFIOAISA-N 1 0 363.414 2.193 20 5 FEBDRO O=c1cc(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763326 555928135 /nfs/dbraw/zinc/92/81/35/555928135.db2.gz ZDQSZFREDLRQTB-IAGOWNOFSA-N 1 0 364.401 2.036 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366836928 555947519 /nfs/dbraw/zinc/94/75/19/555947519.db2.gz FKOJMSFKRTXVNK-WFASDCNBSA-N 1 0 351.378 2.103 20 5 FEBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366836925 555947552 /nfs/dbraw/zinc/94/75/52/555947552.db2.gz FKOJMSFKRTXVNK-DOMZBBRYSA-N 1 0 351.378 2.103 20 5 FEBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000514317446 561965672 /nfs/dbraw/zinc/96/56/72/561965672.db2.gz PTYBQEHIFAUZPK-NVXWUHKLSA-N 1 0 374.393 2.106 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1F ZINC000366940582 555976935 /nfs/dbraw/zinc/97/69/35/555976935.db2.gz JNCCFLYFVNMKEB-AWEZNQCLSA-N 1 0 371.434 2.195 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)c1 ZINC000366941485 555977432 /nfs/dbraw/zinc/97/74/32/555977432.db2.gz RQCRHUFMZIQLRV-RTCCRHLQSA-N 1 0 359.835 2.199 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@]2(C1)CCCOC2 ZINC000366948088 555979116 /nfs/dbraw/zinc/97/91/16/555979116.db2.gz VKTFEWMWHLWCNH-SCLBCKFNSA-N 1 0 363.414 2.433 20 5 FEBDRO CN1CC[NH+]([C@H]2CCCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000367284683 556008354 /nfs/dbraw/zinc/00/83/54/556008354.db2.gz FLUQCPNYJQMJPX-INIZCTEOSA-N 1 0 350.438 2.336 20 5 FEBDRO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2cc([N+](=O)[O-])cnc2C)cc1 ZINC000367592005 556091774 /nfs/dbraw/zinc/09/17/74/556091774.db2.gz BBMZNBLGJBXCEO-AEFFLSMTSA-N 1 0 370.409 2.182 20 5 FEBDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000367625526 556099636 /nfs/dbraw/zinc/09/96/36/556099636.db2.gz YNEJNWMWCBFCFP-OQIJWPOYSA-N 1 0 374.441 2.093 20 5 FEBDRO CN(C(=O)c1c(N)cccc1[N+](=O)[O-])C1CCN(c2cc[nH+]cc2)CC1 ZINC000368016137 556195881 /nfs/dbraw/zinc/19/58/81/556195881.db2.gz BMVKLEZXADBVCB-UHFFFAOYSA-N 1 0 355.398 2.313 20 5 FEBDRO O=C(NC[C@H]1CN(C2CC2)CCO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000368028244 556198889 /nfs/dbraw/zinc/19/88/89/556198889.db2.gz ZPIWDSCTXXTWDT-SFHVURJKSA-N 1 0 374.441 2.132 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000368106951 556220968 /nfs/dbraw/zinc/22/09/68/556220968.db2.gz CAYFNRWUPFCWKD-HNNXBMFYSA-N 1 0 367.471 2.222 20 5 FEBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000368235856 556255552 /nfs/dbraw/zinc/25/55/52/556255552.db2.gz QYUCPARWYKUBRR-DOTOQJQBSA-N 1 0 350.415 2.083 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000515310359 562004562 /nfs/dbraw/zinc/00/45/62/562004562.db2.gz RHDPTFFPUQDLOQ-QWHCGFSZSA-N 1 0 355.410 2.046 20 5 FEBDRO COCc1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000515414292 562009682 /nfs/dbraw/zinc/00/96/82/562009682.db2.gz FSNJRIKAAUZUTN-MRXNPFEDSA-N 1 0 364.373 2.410 20 5 FEBDRO CN1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000368683326 556384210 /nfs/dbraw/zinc/38/42/10/556384210.db2.gz DVBPNEPWILJCMK-OAHLLOKOSA-N 1 0 361.446 2.086 20 5 FEBDRO COc1ccc(CSCC(=O)N2[C@@H]3CC[C@H]2C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC000368808064 556418849 /nfs/dbraw/zinc/41/88/49/556418849.db2.gz VOEMIJHIRSWLAI-ZSOGYDGISA-N 1 0 365.455 2.317 20 5 FEBDRO C[NH+]1CCC2(CCCN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000369176798 556525936 /nfs/dbraw/zinc/52/59/36/556525936.db2.gz CZOGBSQUIXMPHV-UHFFFAOYSA-N 1 0 371.434 2.230 20 5 FEBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000516188854 562035054 /nfs/dbraw/zinc/03/50/54/562035054.db2.gz WSYGIOLAHKKSQO-ZDUSSCGKSA-N 1 0 350.419 2.228 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369532755 556623313 /nfs/dbraw/zinc/62/33/13/556623313.db2.gz PZWUGJVDBVFKBS-WCQYABFASA-N 1 0 373.862 2.401 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000369536330 556624725 /nfs/dbraw/zinc/62/47/25/556624725.db2.gz GGBHGXUSCBJFPE-DZGCQCFKSA-N 1 0 353.444 2.056 20 5 FEBDRO COc1ccc(CSCC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000369749599 556684646 /nfs/dbraw/zinc/68/46/46/556684646.db2.gz JPVCRQDASNAKAS-AWEZNQCLSA-N 1 0 367.471 2.437 20 5 FEBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818460 556703664 /nfs/dbraw/zinc/70/36/64/556703664.db2.gz HBCBTRYYMLDKGO-CRAIPNDOSA-N 1 0 371.441 2.450 20 5 FEBDRO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@@H+]2C)cn1 ZINC000369818891 556703781 /nfs/dbraw/zinc/70/37/81/556703781.db2.gz KBVKDVCICGGTGU-XHDPSFHLSA-N 1 0 363.443 2.203 20 5 FEBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000369845069 556710740 /nfs/dbraw/zinc/71/07/40/556710740.db2.gz HKSZWCNLYKTFLW-WTANOLMUSA-N 1 0 374.441 2.226 20 5 FEBDRO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352409 556847736 /nfs/dbraw/zinc/84/77/36/556847736.db2.gz YSPKKLVLEFDESM-CABCVRRESA-N 1 0 360.414 2.246 20 5 FEBDRO Cc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000370417988 556867128 /nfs/dbraw/zinc/86/71/28/556867128.db2.gz DRRYQNOFGPFMEX-LSDHHAIUSA-N 1 0 358.373 2.191 20 5 FEBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370760754 556960688 /nfs/dbraw/zinc/96/06/88/556960688.db2.gz SWZALTFRQCMKNH-PIIXRYACSA-N 1 0 359.426 2.225 20 5 FEBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827260 556981133 /nfs/dbraw/zinc/98/11/33/556981133.db2.gz RIEQAXZKDWYYBR-TZMCWYRMSA-N 1 0 373.331 2.207 20 5 FEBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000370826900 556981208 /nfs/dbraw/zinc/98/12/08/556981208.db2.gz OMBGMCXPEZMLNV-XNRPHZJLSA-N 1 0 351.378 2.058 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517235586 562081607 /nfs/dbraw/zinc/08/16/07/562081607.db2.gz PCPJMGDXMSCBFX-RYUDHWBXSA-N 1 0 373.862 2.258 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000371221583 557111410 /nfs/dbraw/zinc/11/14/10/557111410.db2.gz XUSSZZASIGHLFL-YOEHRIQHSA-N 1 0 360.458 2.001 20 5 FEBDRO Cc1ccccc1-n1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])nn1 ZINC000517262725 562083323 /nfs/dbraw/zinc/08/33/23/562083323.db2.gz DNMRBZJEFGERFB-UHFFFAOYSA-N 1 0 352.398 2.449 20 5 FEBDRO C[NH+](C)CC1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000517497708 562091294 /nfs/dbraw/zinc/09/12/94/562091294.db2.gz SQRRWLUGBHTKFD-UHFFFAOYSA-N 1 0 362.474 2.205 20 5 FEBDRO Cc1cc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000371469456 557190736 /nfs/dbraw/zinc/19/07/36/557190736.db2.gz FMDMGNPGMAGDFT-OAHLLOKOSA-N 1 0 360.458 2.144 20 5 FEBDRO Cc1ccc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518104194 562104674 /nfs/dbraw/zinc/10/46/74/562104674.db2.gz YSBHQLVZAYIGCI-KBPBESRZSA-N 1 0 362.430 2.221 20 5 FEBDRO C[N@H+](C[C@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2)C1CC1 ZINC000372391902 557458260 /nfs/dbraw/zinc/45/82/60/557458260.db2.gz HERHHDUMUIMVGA-GFCCVEGCSA-N 1 0 360.414 2.032 20 5 FEBDRO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722783 557547454 /nfs/dbraw/zinc/54/74/54/557547454.db2.gz BQLKSQDQTHJLMA-NVXWUHKLSA-N 1 0 370.409 2.374 20 5 FEBDRO NS(=O)(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000519668968 562139277 /nfs/dbraw/zinc/13/92/77/562139277.db2.gz IBIGDZAQBRDTPW-UHFFFAOYSA-N 1 0 369.830 2.228 20 5 FEBDRO C[N@@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000372842252 557573438 /nfs/dbraw/zinc/57/34/38/557573438.db2.gz VWDNCDNHTGEVRW-BZNIZROVSA-N 1 0 358.427 2.804 20 5 FEBDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000372925989 557589608 /nfs/dbraw/zinc/58/96/08/557589608.db2.gz CMRPXGYYGDHIFQ-YIKOMLBNSA-N 1 0 355.797 2.253 20 5 FEBDRO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951325 557595106 /nfs/dbraw/zinc/59/51/06/557595106.db2.gz WGLZXLZKKJXXPE-HOTGVXAUSA-N 1 0 374.441 2.059 20 5 FEBDRO O=C1O[C@@H](C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586510 557723496 /nfs/dbraw/zinc/72/34/96/557723496.db2.gz SSYIBJMPESISCM-WBVHZDCISA-N 1 0 371.397 2.454 20 5 FEBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000520373986 562154760 /nfs/dbraw/zinc/15/47/60/562154760.db2.gz FRBWMKYDFWNCQK-UHFFFAOYSA-N 1 0 372.425 2.338 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374266795 557855290 /nfs/dbraw/zinc/85/52/90/557855290.db2.gz ZSBUENJYBOANIG-LJQANCHMSA-N 1 0 371.441 2.279 20 5 FEBDRO O=C(COc1cccc([N+](=O)[O-])c1)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000374514547 557893511 /nfs/dbraw/zinc/89/35/11/557893511.db2.gz PGZQUXFIBBZMGC-UHFFFAOYSA-N 1 0 373.413 2.295 20 5 FEBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598583 557904689 /nfs/dbraw/zinc/90/46/89/557904689.db2.gz XUAAWFFYIUYUDQ-QBIMZIAESA-N 1 0 360.414 2.244 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)c1 ZINC000374639737 557910758 /nfs/dbraw/zinc/91/07/58/557910758.db2.gz VMLWNZUHVGWECU-UHFFFAOYSA-N 1 0 373.413 2.709 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374922507 557951879 /nfs/dbraw/zinc/95/18/79/557951879.db2.gz ASYJPAZYFSNUPG-YJBOKZPZSA-N 1 0 358.394 2.274 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015804 557964407 /nfs/dbraw/zinc/96/44/07/557964407.db2.gz DRSFMHBTUPANFD-IAQYHMDHSA-N 1 0 352.822 2.213 20 5 FEBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375278094 558003425 /nfs/dbraw/zinc/00/34/25/558003425.db2.gz CYVUJPVYUYYIRQ-UHFFFAOYSA-N 1 0 373.862 2.403 20 5 FEBDRO COC(=O)c1ccccc1CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389383 558019500 /nfs/dbraw/zinc/01/95/00/558019500.db2.gz GKGKHUZZZQLMRK-OAHLLOKOSA-N 1 0 358.398 2.458 20 5 FEBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375513654 558040994 /nfs/dbraw/zinc/04/09/94/558040994.db2.gz VOODZSFFLDGBHW-NSHDSACASA-N 1 0 356.810 2.169 20 5 FEBDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598425 558054830 /nfs/dbraw/zinc/05/48/30/558054830.db2.gz NGNDAQNEBNHWJF-NOLJZWGESA-N 1 0 360.414 2.042 20 5 FEBDRO CCC[C@@H](CC)Nc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000521587593 562179546 /nfs/dbraw/zinc/17/95/46/562179546.db2.gz CAQHAFIGZRICIW-CYBMUJFWSA-N 1 0 372.491 2.425 20 5 FEBDRO COCC[C@H]1CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376888 558165091 /nfs/dbraw/zinc/16/50/91/558165091.db2.gz QEJGUSMLHHXBIN-HZPDHXFCSA-N 1 0 352.431 2.473 20 5 FEBDRO COC(=O)c1cc(C)nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000376397063 558167826 /nfs/dbraw/zinc/16/78/26/558167826.db2.gz QOUKETULDHAYBK-CQSZACIVSA-N 1 0 362.430 2.253 20 5 FEBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000376450653 558174854 /nfs/dbraw/zinc/17/48/54/558174854.db2.gz SUVCDANCQUFUPJ-NWDGAFQWSA-N 1 0 363.443 2.025 20 5 FEBDRO COCC[C@@]1(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]C1 ZINC000376790019 558221662 /nfs/dbraw/zinc/22/16/62/558221662.db2.gz RQHKNTYORJLMLI-INIZCTEOSA-N 1 0 355.822 2.223 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000521863927 562185147 /nfs/dbraw/zinc/18/51/47/562185147.db2.gz JJSIDXLSMVLRDA-NOLJZWGESA-N 1 0 350.806 2.341 20 5 FEBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)c1cccc(F)c1 ZINC000522596332 562200155 /nfs/dbraw/zinc/20/01/55/562200155.db2.gz BPVGENQFVRBZTE-OAHLLOKOSA-N 1 0 363.393 2.085 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377998207 558460203 /nfs/dbraw/zinc/46/02/03/558460203.db2.gz HFJWEFUVTIMBFV-GFCCVEGCSA-N 1 0 373.862 2.258 20 5 FEBDRO CCN1C(=O)N=NC1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000378133847 558488017 /nfs/dbraw/zinc/48/80/17/558488017.db2.gz AYKSXMVWSVGLRD-UHFFFAOYSA-N 1 0 361.402 2.170 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000378222343 558505366 /nfs/dbraw/zinc/50/53/66/558505366.db2.gz HMBRFFTZPLEPJZ-YPMHNXCESA-N 1 0 373.862 2.401 20 5 FEBDRO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378253324 558512435 /nfs/dbraw/zinc/51/24/35/558512435.db2.gz QJKBLYBBUWHAAM-KSZLIROESA-N 1 0 361.442 2.494 20 5 FEBDRO CCc1ccc(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000378364628 558539777 /nfs/dbraw/zinc/53/97/77/558539777.db2.gz CRAYHDQJEMQRKX-OAHLLOKOSA-N 1 0 374.485 2.398 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1C ZINC000397248400 558623762 /nfs/dbraw/zinc/62/37/62/558623762.db2.gz GCOAGFXXABOFME-MCIONIFRSA-N 1 0 355.460 2.206 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1C ZINC000405307685 558632556 /nfs/dbraw/zinc/63/25/56/558632556.db2.gz NCOXXVOZIJBSNL-FZMZJTMJSA-N 1 0 355.460 2.350 20 5 FEBDRO CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000408215794 558657408 /nfs/dbraw/zinc/65/74/08/558657408.db2.gz ALNWCKLHJURLEH-UHFFFAOYSA-N 1 0 353.444 2.234 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457529 558693695 /nfs/dbraw/zinc/69/36/95/558693695.db2.gz TZGUGXDBBPPDRW-HOCLYGCPSA-N 1 0 357.414 2.133 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000525103986 562240653 /nfs/dbraw/zinc/24/06/53/562240653.db2.gz VUJCBVWOPVXTBC-RYUDHWBXSA-N 1 0 351.403 2.215 20 5 FEBDRO CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000525385596 562247082 /nfs/dbraw/zinc/24/70/82/562247082.db2.gz CJSBUOTVBNKJHG-KGLIPLIRSA-N 1 0 355.460 2.397 20 5 FEBDRO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424713 558892705 /nfs/dbraw/zinc/89/27/05/558892705.db2.gz LLTMVTUZTDKJTL-UONOGXRCSA-N 1 0 364.446 2.347 20 5 FEBDRO CC[N@@H+]1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424706 558892843 /nfs/dbraw/zinc/89/28/43/558892843.db2.gz LLTMVTUZTDKJTL-KBPBESRZSA-N 1 0 364.446 2.347 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1F ZINC000411516973 558908658 /nfs/dbraw/zinc/90/86/58/558908658.db2.gz KYPYEIZQNXDTQG-CYBMUJFWSA-N 1 0 365.405 2.372 20 5 FEBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411728879 558951492 /nfs/dbraw/zinc/95/14/92/558951492.db2.gz VMOWANIWIAISSN-HNNXBMFYSA-N 1 0 362.430 2.304 20 5 FEBDRO C[C@@](CO)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000411731942 558952248 /nfs/dbraw/zinc/95/22/48/558952248.db2.gz CKLZDHQOBYJPLM-SFHVURJKSA-N 1 0 359.382 2.126 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411844999 558975083 /nfs/dbraw/zinc/97/50/83/558975083.db2.gz KFABOPAPFNMQGY-QGZVFWFLSA-N 1 0 363.414 2.433 20 5 FEBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411956130 558994549 /nfs/dbraw/zinc/99/45/49/558994549.db2.gz AWVSONFDDKPQKH-IBGZPJMESA-N 1 0 355.394 2.103 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411964287 558996149 /nfs/dbraw/zinc/99/61/49/558996149.db2.gz DBEZMWCKTQGWPN-DIFFPNOSSA-N 1 0 351.403 2.335 20 5 FEBDRO Cc1nnc([C@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024284 559003501 /nfs/dbraw/zinc/00/35/01/559003501.db2.gz BOVMWVAPFOUOOV-ZDUSSCGKSA-N 1 0 358.402 2.148 20 5 FEBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412026497 559003672 /nfs/dbraw/zinc/00/36/72/559003672.db2.gz SPXRJXXGGFCVOY-GFCCVEGCSA-N 1 0 351.403 2.479 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1F ZINC000412133896 559016208 /nfs/dbraw/zinc/01/62/08/559016208.db2.gz ZGLKDYLSPQHUGA-CHWSQXEVSA-N 1 0 365.405 2.370 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CC([NH+]3CCCCC3)C2)c1F ZINC000412309016 559026594 /nfs/dbraw/zinc/02/65/94/559026594.db2.gz OLLQVSOFNIITLR-UHFFFAOYSA-N 1 0 365.405 2.418 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1F ZINC000412361314 559030596 /nfs/dbraw/zinc/03/05/96/559030596.db2.gz KWFKZFUUFDQVFL-SFHVURJKSA-N 1 0 365.405 2.229 20 5 FEBDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1F ZINC000412415674 559033977 /nfs/dbraw/zinc/03/39/77/559033977.db2.gz JURSZDTWHPHKFU-UHFFFAOYSA-N 1 0 364.333 2.027 20 5 FEBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000413189635 559087178 /nfs/dbraw/zinc/08/71/78/559087178.db2.gz CHTHJZOOSLBUDC-RHSMWYFYSA-N 1 0 360.389 2.424 20 5 FEBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Cl)(N2CCOCC2)CC1 ZINC000413482111 559111069 /nfs/dbraw/zinc/11/10/69/559111069.db2.gz OOYTWRYMZOMEJE-UHFFFAOYSA-N 1 0 368.865 2.457 20 5 FEBDRO NC(=O)C1CC[NH+](Cc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000413575626 559117780 /nfs/dbraw/zinc/11/77/80/559117780.db2.gz GHUGMSODBUNXAG-UHFFFAOYSA-N 1 0 369.425 2.299 20 5 FEBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](OC)C2CC2)c([N+](=O)[O-])c1 ZINC000414161379 559151203 /nfs/dbraw/zinc/15/12/03/559151203.db2.gz BTRQLXNDAQTSJA-GDLVEWKHSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000414195538 559152465 /nfs/dbraw/zinc/15/24/65/559152465.db2.gz WTTOMIUEYKLDCA-XMZIXOGTSA-N 1 0 351.403 2.334 20 5 FEBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564154 559171943 /nfs/dbraw/zinc/17/19/43/559171943.db2.gz XHVHEBNDGLNIHA-SJCJKPOMSA-N 1 0 362.382 2.039 20 5 FEBDRO [NH3+]C1(c2noc(-c3cccc([N+](=O)[O-])c3N3CCOCC3)n2)CCCC1 ZINC000414623177 559176087 /nfs/dbraw/zinc/17/60/87/559176087.db2.gz DCBURBQBCWKDLL-UHFFFAOYSA-N 1 0 359.386 2.209 20 5 FEBDRO COc1cc(CNC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414831847 559190061 /nfs/dbraw/zinc/19/00/61/559190061.db2.gz QAPZDBQNDZXWAJ-NSHDSACASA-N 1 0 359.373 2.337 20 5 FEBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414953362 559196946 /nfs/dbraw/zinc/19/69/46/559196946.db2.gz RLVJZLUJNQELKH-KCJUWKMLSA-N 1 0 374.344 2.431 20 5 FEBDRO COC(=O)c1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)c(C)c([N+](=O)[O-])c1 ZINC000415604841 559254657 /nfs/dbraw/zinc/25/46/57/559254657.db2.gz WNRQBQYUGMSDTP-AWEZNQCLSA-N 1 0 364.402 2.199 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000415645840 559257791 /nfs/dbraw/zinc/25/77/91/559257791.db2.gz XVZIVHIJRYBYGY-UHFFFAOYSA-N 1 0 374.441 2.142 20 5 FEBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000415650446 559258189 /nfs/dbraw/zinc/25/81/89/559258189.db2.gz FMCRKZWDYFHRLU-UHFFFAOYSA-N 1 0 366.418 2.355 20 5 FEBDRO CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416412180 559311081 /nfs/dbraw/zinc/31/10/81/559311081.db2.gz MCQPGUAEVQBCGS-CQSZACIVSA-N 1 0 355.460 2.316 20 5 FEBDRO [NH3+]CCN(CCc1ccccc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417211535 559353280 /nfs/dbraw/zinc/35/32/80/559353280.db2.gz ANYHYKNNQFZRHZ-UHFFFAOYSA-N 1 0 356.426 2.350 20 5 FEBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417706809 559373437 /nfs/dbraw/zinc/37/34/37/559373437.db2.gz AIBMFDUSNOJMNB-CQSZACIVSA-N 1 0 356.373 2.214 20 5 FEBDRO Cc1ccc(NCCCNC(=O)NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000417722334 559373944 /nfs/dbraw/zinc/37/39/44/559373944.db2.gz VLWHRLWODPABDT-OAHLLOKOSA-N 1 0 363.462 2.394 20 5 FEBDRO Cc1ccc(NCCCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])c1 ZINC000417724876 559374101 /nfs/dbraw/zinc/37/41/01/559374101.db2.gz ZNBDNEGYZGNRCM-AWEZNQCLSA-N 1 0 371.388 2.002 20 5 FEBDRO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417982904 559384984 /nfs/dbraw/zinc/38/49/84/559384984.db2.gz DUPIMNHICWNNFH-OLZOCXBDSA-N 1 0 352.822 2.042 20 5 FEBDRO O=C(NCC[C@H]1CC[NH2+]C1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418088100 559389809 /nfs/dbraw/zinc/38/98/09/559389809.db2.gz JIYMEAUOLVZGDR-SNVBAGLBSA-N 1 0 360.336 2.412 20 5 FEBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418097002 559389972 /nfs/dbraw/zinc/38/99/72/559389972.db2.gz YBBUYJLXXVYCBG-RNCFNFMXSA-N 1 0 360.336 2.411 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000418096402 559389984 /nfs/dbraw/zinc/38/99/84/559389984.db2.gz XBBDLMOSJONSBG-SNVBAGLBSA-N 1 0 360.336 2.412 20 5 FEBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418096867 559390052 /nfs/dbraw/zinc/39/00/52/559390052.db2.gz XRDHEMGYTJOAKU-GXSJLCMTSA-N 1 0 360.336 2.492 20 5 FEBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000418669368 559410624 /nfs/dbraw/zinc/41/06/24/559410624.db2.gz PJVCELOYOGYIRO-HDJSIYSDSA-N 1 0 362.430 2.133 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(OC2CCC2)CC1 ZINC000419294238 559435712 /nfs/dbraw/zinc/43/57/12/559435712.db2.gz BABFVPKNHGRTHA-AWEZNQCLSA-N 1 0 350.415 2.368 20 5 FEBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420007316 559468713 /nfs/dbraw/zinc/46/87/13/559468713.db2.gz CHPNTOWINQGLIF-INIZCTEOSA-N 1 0 355.460 2.139 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420377597 559483922 /nfs/dbraw/zinc/48/39/22/559483922.db2.gz PURPPACJXAOGHD-ACJLOTCBSA-N 1 0 362.430 2.006 20 5 FEBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000420402333 559485824 /nfs/dbraw/zinc/48/58/24/559485824.db2.gz LZIUSHTVQKMVMP-TZMCWYRMSA-N 1 0 370.409 2.320 20 5 FEBDRO C[C@@H]([NH3+])c1ccc(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000420449582 559487907 /nfs/dbraw/zinc/48/79/07/559487907.db2.gz KJLVUGOICKMXQP-CYBMUJFWSA-N 1 0 363.439 2.277 20 5 FEBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420470452 559489166 /nfs/dbraw/zinc/48/91/66/559489166.db2.gz MGNYFSFJNTYHAL-UHFFFAOYSA-N 1 0 356.231 2.132 20 5 FEBDRO [NH3+]CCC[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000420470817 559489369 /nfs/dbraw/zinc/48/93/69/559489369.db2.gz XSZFWHAKXBWGHE-QGZVFWFLSA-N 1 0 363.439 2.494 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000420752992 559502393 /nfs/dbraw/zinc/50/23/93/559502393.db2.gz ZDHYOXLGKRRFJD-UHFFFAOYSA-N 1 0 355.460 2.363 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420991856 559518132 /nfs/dbraw/zinc/51/81/32/559518132.db2.gz JUPNUUQYDFEUFK-AWEZNQCLSA-N 1 0 363.414 2.311 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421287452 559535989 /nfs/dbraw/zinc/53/59/89/559535989.db2.gz IPGYDBJGGZGYBX-UHFFFAOYSA-N 1 0 362.430 2.139 20 5 FEBDRO COc1ccc([N+](=O)[O-])c(CC(=O)NC2CCC([NH+](C)C)CC2)c1F ZINC000421679829 559549103 /nfs/dbraw/zinc/54/91/03/559549103.db2.gz ODJXBVWWNJHADH-UHFFFAOYSA-N 1 0 353.394 2.274 20 5 FEBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000421703085 559549804 /nfs/dbraw/zinc/54/98/04/559549804.db2.gz LLRZXSXYIJQALW-INIZCTEOSA-N 1 0 360.458 2.364 20 5 FEBDRO C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000422642529 559599766 /nfs/dbraw/zinc/59/97/66/559599766.db2.gz ZNTGZMZUCSAEHY-IJLUTSLNSA-N 1 0 354.838 2.492 20 5 FEBDRO C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000423418094 559628535 /nfs/dbraw/zinc/62/85/35/559628535.db2.gz UDNMSVQJDARUAL-SWLSCSKDSA-N 1 0 355.398 2.336 20 5 FEBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000423610701 559633794 /nfs/dbraw/zinc/63/37/94/559633794.db2.gz MYXLZPCJCHNACT-OAHLLOKOSA-N 1 0 357.414 2.160 20 5 FEBDRO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730312 559637313 /nfs/dbraw/zinc/63/73/13/559637313.db2.gz WJPDQZIONOOLBM-LBPRGKRZSA-N 1 0 355.398 2.200 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1SC ZINC000424009154 559650619 /nfs/dbraw/zinc/65/06/19/559650619.db2.gz HRKYUUYYFNKICT-WDEREUQCSA-N 1 0 353.444 2.382 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1OC ZINC000425050714 559685175 /nfs/dbraw/zinc/68/51/75/559685175.db2.gz RSSFFCMMFWVFMU-SWLSCSKDSA-N 1 0 363.414 2.168 20 5 FEBDRO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)nn21 ZINC000425277125 559694543 /nfs/dbraw/zinc/69/45/43/559694543.db2.gz QTMKPJAQZDVCGN-JKSUJKDBSA-N 1 0 364.409 2.348 20 5 FEBDRO C[C@H](O)C[N@@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425430182 559701949 /nfs/dbraw/zinc/70/19/49/559701949.db2.gz DMXMRRJYNUZCKL-NEPJUHHUSA-N 1 0 372.263 2.244 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)n1 ZINC000425615705 559711581 /nfs/dbraw/zinc/71/15/81/559711581.db2.gz ZVJNQCKORJRDMY-AWEZNQCLSA-N 1 0 357.414 2.334 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000426850789 559742994 /nfs/dbraw/zinc/74/29/94/559742994.db2.gz KFRPGXOMEPFJQY-UHFFFAOYSA-N 1 0 373.409 2.474 20 5 FEBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000427359870 559754097 /nfs/dbraw/zinc/75/40/97/559754097.db2.gz XFRGNQSEIXSKPS-HNNXBMFYSA-N 1 0 357.414 2.158 20 5 FEBDRO CNc1c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428543314 559777650 /nfs/dbraw/zinc/77/76/50/559777650.db2.gz WEULAQKTHBGKDK-HNNXBMFYSA-N 1 0 370.409 2.455 20 5 FEBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428913936 559785877 /nfs/dbraw/zinc/78/58/77/559785877.db2.gz XGYPOADWYULYNH-GFCCVEGCSA-N 1 0 357.414 2.195 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000428950554 559786522 /nfs/dbraw/zinc/78/65/22/559786522.db2.gz CHSWXGNJLGHDDU-TZMCWYRMSA-N 1 0 367.471 2.341 20 5 FEBDRO CC(C)([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429241461 559793592 /nfs/dbraw/zinc/79/35/92/559793592.db2.gz WMGUGEOJNQLFIP-UHFFFAOYSA-N 1 0 363.439 2.398 20 5 FEBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430331963 559817979 /nfs/dbraw/zinc/81/79/79/559817979.db2.gz XMEDBVLFXLBYEY-UHFFFAOYSA-N 1 0 352.398 2.326 20 5 FEBDRO C[NH+](C)[C@H]1CCCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000430380273 559818982 /nfs/dbraw/zinc/81/89/82/559818982.db2.gz RJCSVZVYDZKOSY-AWEZNQCLSA-N 1 0 372.425 2.465 20 5 FEBDRO CC1(C)CCC[NH2+][C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000430384497 559819089 /nfs/dbraw/zinc/81/90/89/559819089.db2.gz GBZMSHZVUVFIAD-LBPRGKRZSA-N 1 0 361.851 2.305 20 5 FEBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000430834146 559828953 /nfs/dbraw/zinc/82/89/53/559828953.db2.gz WEDBMJFQCQTBPZ-HOCLYGCPSA-N 1 0 351.451 2.198 20 5 FEBDRO CCN1CC[NH+]([C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432339342 559856789 /nfs/dbraw/zinc/85/67/89/559856789.db2.gz YXZVXTIRQPGKCD-HNNXBMFYSA-N 1 0 355.442 2.359 20 5 FEBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000433077816 559871184 /nfs/dbraw/zinc/87/11/84/559871184.db2.gz SULZRNGTHSZXGP-HUUCEWRRSA-N 1 0 358.402 2.418 20 5 FEBDRO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193610 559873137 /nfs/dbraw/zinc/87/31/37/559873137.db2.gz RKZNZSUSUMBSCV-JKSUJKDBSA-N 1 0 370.471 2.179 20 5 FEBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435240374 559918567 /nfs/dbraw/zinc/91/85/67/559918567.db2.gz AVWVAQSVUGBXOO-ZDUSSCGKSA-N 1 0 368.231 2.253 20 5 FEBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435247343 559918768 /nfs/dbraw/zinc/91/87/68/559918768.db2.gz WEJXWPRJJKXBPD-GXFFZTMASA-N 1 0 353.806 2.368 20 5 FEBDRO Cn1c(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000435406647 559922206 /nfs/dbraw/zinc/92/22/06/559922206.db2.gz FCYXJMPMZUQECQ-HNNXBMFYSA-N 1 0 357.414 2.113 20 5 FEBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000440094465 560004624 /nfs/dbraw/zinc/00/46/24/560004624.db2.gz VRAFDVLMKJOUER-TZMCWYRMSA-N 1 0 355.460 2.302 20 5 FEBDRO CC[NH+]1CCN([C@H](C)CNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000440715475 560017069 /nfs/dbraw/zinc/01/70/69/560017069.db2.gz GZCKIULGAUAFIW-CQSZACIVSA-N 1 0 364.446 2.128 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204901 560026179 /nfs/dbraw/zinc/02/61/79/560026179.db2.gz UMVXPCMTPPGLKV-HZPDHXFCSA-N 1 0 359.426 2.232 20 5 FEBDRO O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229175 560026669 /nfs/dbraw/zinc/02/66/69/560026669.db2.gz OIVIPDFREYOVGM-JKSUJKDBSA-N 1 0 359.426 2.232 20 5 FEBDRO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442228961 560046330 /nfs/dbraw/zinc/04/63/30/560046330.db2.gz KNTSVHGVXDLZRB-UHFFFAOYSA-N 1 0 365.411 2.336 20 5 FEBDRO CCOc1cc(C(=O)N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442609473 560053579 /nfs/dbraw/zinc/05/35/79/560053579.db2.gz YNIBDOQTDUAILH-LBPRGKRZSA-N 1 0 351.403 2.203 20 5 FEBDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000444709670 560118677 /nfs/dbraw/zinc/11/86/77/560118677.db2.gz TUELMSNAXQKFAI-LBPRGKRZSA-N 1 0 374.235 2.292 20 5 FEBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191888 560130547 /nfs/dbraw/zinc/13/05/47/560130547.db2.gz YCEOWBWCAAKWLQ-SWLSCSKDSA-N 1 0 356.382 2.261 20 5 FEBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446110393 560140059 /nfs/dbraw/zinc/14/00/59/560140059.db2.gz ZZWMTLDKNLLONX-NSHDSACASA-N 1 0 370.247 2.452 20 5 FEBDRO CN(CC[NH+]1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446188021 560141410 /nfs/dbraw/zinc/14/14/10/560141410.db2.gz TWRNHQWIJQJNIC-UHFFFAOYSA-N 1 0 370.247 2.454 20 5 FEBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000447242067 560158554 /nfs/dbraw/zinc/15/85/54/560158554.db2.gz FDUOCYYLURYNMV-YUMQZZPRSA-N 1 0 368.242 2.259 20 5 FEBDRO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562573 560164566 /nfs/dbraw/zinc/16/45/66/560164566.db2.gz MIGMFZANJPNZBV-QAPCUYQASA-N 1 0 360.458 2.149 20 5 FEBDRO O=C1NCCc2ccc(C[NH2+][C@H]3CCCC[C@@H]3n3ccc([N+](=O)[O-])n3)cc21 ZINC000447593582 560164968 /nfs/dbraw/zinc/16/49/68/560164968.db2.gz SZOHVNGPKIBCIP-IRXDYDNUSA-N 1 0 369.425 2.351 20 5 FEBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000447649750 560165853 /nfs/dbraw/zinc/16/58/53/560165853.db2.gz KDMVNKQMHZWCJF-UHFFFAOYSA-N 1 0 359.473 2.033 20 5 FEBDRO CC[NH+](CC)[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447801917 560169445 /nfs/dbraw/zinc/16/94/45/560169445.db2.gz FRYARPOKRCINQW-KRWDZBQOSA-N 1 0 362.474 2.348 20 5 FEBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000447942687 560174130 /nfs/dbraw/zinc/17/41/30/560174130.db2.gz VFCHRNDNXYMKSL-OAHLLOKOSA-N 1 0 355.460 2.135 20 5 FEBDRO O=C(NCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448676994 560193715 /nfs/dbraw/zinc/19/37/15/560193715.db2.gz KFHZPOILJFVBBZ-UHFFFAOYSA-N 1 0 357.414 2.386 20 5 FEBDRO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@@H+]1C ZINC000449931059 560245750 /nfs/dbraw/zinc/24/57/50/560245750.db2.gz XWALEBNSBCUYBF-HIFRSBDPSA-N 1 0 357.414 2.335 20 5 FEBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@@H]21 ZINC000450146944 560252176 /nfs/dbraw/zinc/25/21/76/560252176.db2.gz MJONSJUMEMHXSJ-HOTGVXAUSA-N 1 0 369.425 2.337 20 5 FEBDRO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148577 560252213 /nfs/dbraw/zinc/25/22/13/560252213.db2.gz PZNJHRRUWAWNOL-SMDDNHRTSA-N 1 0 351.378 2.299 20 5 FEBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H](O)C[NH+]3CCCCC3)n2)cc1 ZINC000450258562 560256093 /nfs/dbraw/zinc/25/60/93/560256093.db2.gz REXIQOTZHIUHDH-OAHLLOKOSA-N 1 0 362.455 2.977 20 5 FEBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451093171 560286591 /nfs/dbraw/zinc/28/65/91/560286591.db2.gz NFQXIBXNBKUBRZ-KBXCAEBGSA-N 1 0 358.442 2.116 20 5 FEBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+](C2CC2)C1 ZINC000451093175 560286606 /nfs/dbraw/zinc/28/66/06/560286606.db2.gz NFQXIBXNBKUBRZ-KSSFIOAISA-N 1 0 358.442 2.116 20 5 FEBDRO O=C(C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414361 560305601 /nfs/dbraw/zinc/30/56/01/560305601.db2.gz IFHCCORKGVCBRO-KBAYOESNSA-N 1 0 359.426 2.109 20 5 FEBDRO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549676 560314196 /nfs/dbraw/zinc/31/41/96/560314196.db2.gz QBTIQQSGQLOMRH-HOCLYGCPSA-N 1 0 367.471 2.056 20 5 FEBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000451595673 560316531 /nfs/dbraw/zinc/31/65/31/560316531.db2.gz DTFWAURAGDXPRS-ZNMIVQPWSA-N 1 0 366.414 2.046 20 5 FEBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451599698 560316693 /nfs/dbraw/zinc/31/66/93/560316693.db2.gz QTKJNGHNNNVTIQ-SJLPKXTDSA-N 1 0 351.447 2.436 20 5 FEBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451720522 560324466 /nfs/dbraw/zinc/32/44/66/560324466.db2.gz NDWASWFRKWEFJO-HNNXBMFYSA-N 1 0 357.414 2.385 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452115444 560352171 /nfs/dbraw/zinc/35/21/71/560352171.db2.gz BQPNZAGAOZRIPU-ZDUSSCGKSA-N 1 0 351.403 2.026 20 5 FEBDRO CNc1nc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454877914 560461888 /nfs/dbraw/zinc/46/18/88/560461888.db2.gz CEBJHQUQWIZGEL-OAHLLOKOSA-N 1 0 361.377 2.203 20 5 FEBDRO C[N@H+](CCCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000455604529 560488911 /nfs/dbraw/zinc/48/89/11/560488911.db2.gz GJDOFZJKNJJDKJ-UHFFFAOYSA-N 1 0 362.430 2.373 20 5 FEBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456379725 560518269 /nfs/dbraw/zinc/51/82/69/560518269.db2.gz NCLZYLKYDNRLOT-CQSZACIVSA-N 1 0 372.425 2.465 20 5 FEBDRO [NH3+][C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[C@@H]1c1ccc(F)cc1 ZINC000457370324 560564141 /nfs/dbraw/zinc/56/41/41/560564141.db2.gz GZRMUTRMFJWCJF-HZPDHXFCSA-N 1 0 372.400 2.489 20 5 FEBDRO COc1ccc(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000457929016 560594577 /nfs/dbraw/zinc/59/45/77/560594577.db2.gz MZOPOHZHEVXOON-CYBMUJFWSA-N 1 0 362.430 2.229 20 5 FEBDRO CC[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458524198 560629845 /nfs/dbraw/zinc/62/98/45/560629845.db2.gz WMVSJKRJTNXDTG-JKIFEVAISA-N 1 0 364.446 2.142 20 5 FEBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458728035 560644110 /nfs/dbraw/zinc/64/41/10/560644110.db2.gz QJELZWLFSRVBTH-CABCVRRESA-N 1 0 364.446 2.456 20 5 FEBDRO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459330116 560679958 /nfs/dbraw/zinc/67/99/58/560679958.db2.gz ZCNDEDWISLSBFE-CQSZACIVSA-N 1 0 362.430 2.231 20 5 FEBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459505682 560690554 /nfs/dbraw/zinc/69/05/54/560690554.db2.gz IXNNVEDKIFOHLZ-YJBOKZPZSA-N 1 0 356.426 2.276 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459756101 560706363 /nfs/dbraw/zinc/70/63/63/560706363.db2.gz KCTFUUVHDCBMQR-HOTGVXAUSA-N 1 0 363.414 2.479 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000459785143 560708259 /nfs/dbraw/zinc/70/82/59/560708259.db2.gz YXXGFPQGBKLRIV-UHFFFAOYSA-N 1 0 359.426 2.373 20 5 FEBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000463451835 560815208 /nfs/dbraw/zinc/81/52/08/560815208.db2.gz QOFYOPCRPHSCLB-AWEZNQCLSA-N 1 0 357.370 2.036 20 5 FEBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000469932575 560969230 /nfs/dbraw/zinc/96/92/30/560969230.db2.gz KUSHPVQZYKHBRQ-QGZVFWFLSA-N 1 0 361.442 2.241 20 5 FEBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000470182508 560976385 /nfs/dbraw/zinc/97/63/85/560976385.db2.gz HTJXZRPNSCTGCE-SDNWHVSQSA-N 1 0 367.471 2.354 20 5 FEBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000470847820 560991242 /nfs/dbraw/zinc/99/12/42/560991242.db2.gz OWPPSGGYQNTZSN-UHFFFAOYSA-N 1 0 355.460 2.093 20 5 FEBDRO C[NH+](C)C[C@H](NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000472537408 561028807 /nfs/dbraw/zinc/02/88/07/561028807.db2.gz GVQWCINKRKPYEW-INIZCTEOSA-N 1 0 374.372 2.092 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000473997904 561063231 /nfs/dbraw/zinc/06/32/31/561063231.db2.gz YEWKXPCAZPLSKE-ZDUSSCGKSA-N 1 0 352.387 2.194 20 5 FEBDRO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000474317940 561071213 /nfs/dbraw/zinc/07/12/13/561071213.db2.gz XTIIZJDWFJGZGB-ABAIWWIYSA-N 1 0 350.325 2.077 20 5 FEBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000474380823 561072666 /nfs/dbraw/zinc/07/26/66/561072666.db2.gz UOSHNWXUMAXZJE-LLVKDONJSA-N 1 0 362.386 2.039 20 5 FEBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722721 561103324 /nfs/dbraw/zinc/10/33/24/561103324.db2.gz STDDJWULRFRNRM-LSDHHAIUSA-N 1 0 364.398 2.005 20 5 FEBDRO COc1c(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000476078285 561110912 /nfs/dbraw/zinc/11/09/12/561110912.db2.gz HDVUOYWOKQLCQL-UHFFFAOYSA-N 1 0 372.381 2.016 20 5 FEBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000476654854 561125297 /nfs/dbraw/zinc/12/52/97/561125297.db2.gz GAUVNZOLBMZHMR-UHFFFAOYSA-N 1 0 357.414 2.065 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000531014710 562432050 /nfs/dbraw/zinc/43/20/50/562432050.db2.gz GQCCIOKDWBXHBS-UHFFFAOYSA-N 1 0 363.462 2.361 20 5 FEBDRO Cc1nn(C)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000531067464 562433819 /nfs/dbraw/zinc/43/38/19/562433819.db2.gz XDYORXQHRXWBFQ-ZDUSSCGKSA-N 1 0 365.821 2.323 20 5 FEBDRO C[C@H]1C[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000532672357 562485137 /nfs/dbraw/zinc/48/51/37/562485137.db2.gz PTKNNLPJIQYETD-WDNDVIMCSA-N 1 0 355.460 2.287 20 5 FEBDRO CS[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+](C)C ZINC000534827184 562543335 /nfs/dbraw/zinc/54/33/35/562543335.db2.gz DERVLOIBOHXYSW-ZIAGYGMSSA-N 1 0 355.485 2.191 20 5 FEBDRO CC[N@H+](CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000536923662 562582749 /nfs/dbraw/zinc/58/27/49/562582749.db2.gz DADPSPGCISFCIN-UHFFFAOYSA-N 1 0 365.478 2.398 20 5 FEBDRO COC(=O)CC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000537034826 562584396 /nfs/dbraw/zinc/58/43/96/562584396.db2.gz ANCGYDJHKGJGDQ-CYBMUJFWSA-N 1 0 358.398 2.217 20 5 FEBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(=O)Nc1ccccn1 ZINC000540814662 562593813 /nfs/dbraw/zinc/59/38/13/562593813.db2.gz ZYVUFMMIHPKBAT-CYBMUJFWSA-N 1 0 371.397 2.325 20 5 FEBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000541051269 562601442 /nfs/dbraw/zinc/60/14/42/562601442.db2.gz HFQDFHFNIQYLPF-MRXNPFEDSA-N 1 0 359.382 2.174 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000541315764 562608712 /nfs/dbraw/zinc/60/87/12/562608712.db2.gz QGIKKHLQNBXISQ-ZDUSSCGKSA-N 1 0 350.419 2.133 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000541761730 562619319 /nfs/dbraw/zinc/61/93/19/562619319.db2.gz VELRWYZJFVPANI-UHFFFAOYSA-N 1 0 360.395 2.035 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000541821184 562620633 /nfs/dbraw/zinc/62/06/33/562620633.db2.gz SWOAJFIWAHHQBY-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541942170 562623986 /nfs/dbraw/zinc/62/39/86/562623986.db2.gz SPXNOGUPCWLRBW-SNVBAGLBSA-N 1 0 355.341 2.410 20 5 FEBDRO C[N@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000546063946 562633255 /nfs/dbraw/zinc/63/32/55/562633255.db2.gz UYHKKJOTXNSYKU-UHFFFAOYSA-N 1 0 355.460 2.279 20 5 FEBDRO CC[N@H+]1[C@H](C)CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874819 568009994 /nfs/dbraw/zinc/00/99/94/568009994.db2.gz SDQIFQGTDCLQBQ-OKILXGFUSA-N 1 0 364.446 2.347 20 5 FEBDRO CC(C)[N@H+]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC000568577185 568058611 /nfs/dbraw/zinc/05/86/11/568058611.db2.gz ZTBNFZULYFRILE-BBRMVZONSA-N 1 0 362.430 2.228 20 5 FEBDRO COC(=O)c1cnc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000568702999 568129602 /nfs/dbraw/zinc/12/96/02/568129602.db2.gz GZQWZCTXFBXISV-UHFFFAOYSA-N 1 0 354.432 2.016 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000568761146 568187019 /nfs/dbraw/zinc/18/70/19/568187019.db2.gz MQJMCSDVOHMDQT-HNNXBMFYSA-N 1 0 362.407 2.228 20 5 FEBDRO COc1ccc(OCC[NH2+][C@@H](CO)c2ccccc2OC)c([N+](=O)[O-])c1 ZINC000541981158 568278243 /nfs/dbraw/zinc/27/82/43/568278243.db2.gz RPIRJLJXVFOLQF-HNNXBMFYSA-N 1 0 362.382 2.314 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000604566990 568317413 /nfs/dbraw/zinc/31/74/13/568317413.db2.gz PIKPCTQLTSRDFF-UHFFFAOYSA-N 1 0 370.409 2.447 20 5 FEBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(O)Cc3ccccc3C2)n1 ZINC000569542722 568406717 /nfs/dbraw/zinc/40/67/17/568406717.db2.gz AUTIRLBXBKFEHR-IAGOWNOFSA-N 1 0 356.426 2.395 20 5 FEBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569676462 568418183 /nfs/dbraw/zinc/41/81/83/568418183.db2.gz ICPSWJUSNHRTFC-LSDHHAIUSA-N 1 0 362.430 2.005 20 5 FEBDRO COCC[NH2+]C1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000570521599 568483944 /nfs/dbraw/zinc/48/39/44/568483944.db2.gz XABMCELZPVKVQG-ZDUSSCGKSA-N 1 0 350.419 2.066 20 5 FEBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609489641 568507339 /nfs/dbraw/zinc/50/73/39/568507339.db2.gz XJGKJQHRFIEIHJ-MRXNPFEDSA-N 1 0 357.414 2.385 20 5 FEBDRO O=[N+]([O-])c1cnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000570907246 568642175 /nfs/dbraw/zinc/64/21/75/568642175.db2.gz HIQDKHHEDNNWRP-UHFFFAOYSA-N 1 0 352.410 2.458 20 5 FEBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738375328 598679260 /nfs/dbraw/zinc/67/92/60/598679260.db2.gz YRYRRRTYVFNYIG-UHFFFAOYSA-N 1 0 360.422 2.238 20 5 FEBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000557466772 674449921 /nfs/dbraw/zinc/44/99/21/674449921.db2.gz IQBUUUZRZMGSRR-JTQLQIEISA-N 1 0 358.236 2.214 20 5 FEBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCCCC3)cc(-c3nn[nH]n3)c2c1 ZINC000823644274 599478450 /nfs/dbraw/zinc/47/84/50/599478450.db2.gz JFSDDRMTPHWBEH-UHFFFAOYSA-N 1 0 368.401 2.221 20 5 FEBDRO C[C@H]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000820668335 599590033 /nfs/dbraw/zinc/59/00/33/599590033.db2.gz RRSRBDHPYDHNRV-WDEREUQCSA-N 1 0 368.401 2.218 20 5 FEBDRO Cn1c2ccc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc2sc1=O ZINC000809734548 674507804 /nfs/dbraw/zinc/50/78/04/674507804.db2.gz HBGOMUWHCLCODE-UHFFFAOYSA-N 1 0 358.423 2.474 20 5 FEBDRO CC[N@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809835037 674514694 /nfs/dbraw/zinc/51/46/94/674514694.db2.gz HGSPCLKIGHQAMU-UHFFFAOYSA-N 1 0 367.830 2.396 20 5 FEBDRO CC(C)CC[NH+]1CCC(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820077045 606715981 /nfs/dbraw/zinc/71/59/81/606715981.db2.gz ZAUJEBWUBOWYAX-UHFFFAOYSA-N 1 0 374.449 2.340 20 5 FEBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000810495995 674546848 /nfs/dbraw/zinc/54/68/48/674546848.db2.gz MZADKRZIWZTGGK-NSHDSACASA-N 1 0 370.837 2.423 20 5 FEBDRO COc1cc(OCC(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810846730 674564939 /nfs/dbraw/zinc/56/49/39/674564939.db2.gz IKIODMTWVOHYAI-JSGCOSHPSA-N 1 0 350.371 2.152 20 5 FEBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010723 674895144 /nfs/dbraw/zinc/89/51/44/674895144.db2.gz XEPSYVYGMAFLMO-VIFPVBQESA-N 1 0 367.830 2.396 20 5 FEBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009801 674895165 /nfs/dbraw/zinc/89/51/65/674895165.db2.gz NIGXODDTXJTKEF-UHFFFAOYSA-N 1 0 365.814 2.104 20 5 FEBDRO CC[NH+]1CCC(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000563866215 674947524 /nfs/dbraw/zinc/94/75/24/674947524.db2.gz QNAXBFMZLKEWDK-UHFFFAOYSA-N 1 0 355.460 2.222 20 5 FEBDRO COC[C@@]1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000564839208 675066560 /nfs/dbraw/zinc/06/65/60/675066560.db2.gz FEGXAYWJMUQIBH-AWEZNQCLSA-N 1 0 361.320 2.112 20 5 FEBDRO O=C(CNCc1cc(Cl)ccc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000816620916 675069178 /nfs/dbraw/zinc/06/91/78/675069178.db2.gz QMRBCGBYGGWGDC-UHFFFAOYSA-N 1 0 368.865 2.330 20 5 FEBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000565452250 675122382 /nfs/dbraw/zinc/12/23/82/675122382.db2.gz ZRPDHFHQARHJOX-TUKIKUTGSA-N 1 0 356.444 2.018 20 5 FEBDRO Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1F ZINC000093008176 670747760 /nfs/dbraw/zinc/74/77/60/670747760.db2.gz UXLNJZHNGUANLP-RYUDHWBXSA-N 1 0 359.423 2.193 20 5 FEBDRO C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CC[NH+](C)CC1 ZINC000570689380 670754144 /nfs/dbraw/zinc/75/41/44/670754144.db2.gz RQNIIGLXOICIPY-SWLSCSKDSA-N 1 0 360.380 2.424 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000570914002 670786869 /nfs/dbraw/zinc/78/68/69/670786869.db2.gz NENKCZYLMKRQQQ-ZBFHGGJFSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc(C)c(S(=O)(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000571074267 670812539 /nfs/dbraw/zinc/81/25/39/670812539.db2.gz AUKORUVIIUPWNT-CQSZACIVSA-N 1 0 367.471 2.364 20 5 FEBDRO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113301004 670883579 /nfs/dbraw/zinc/88/35/79/670883579.db2.gz XTXHQXMAXUMPIO-LBPRGKRZSA-N 1 0 359.423 2.277 20 5 FEBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000572028886 670953173 /nfs/dbraw/zinc/95/31/73/670953173.db2.gz JVULGYXVYGCJAR-WMLDXEAASA-N 1 0 370.471 2.409 20 5 FEBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000574240262 671217499 /nfs/dbraw/zinc/21/74/99/671217499.db2.gz JOGFBFPOMDLWHY-GFCCVEGCSA-N 1 0 351.403 2.074 20 5 FEBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000574572470 671256234 /nfs/dbraw/zinc/25/62/34/671256234.db2.gz VUEKSVCMXUWKTJ-UHFFFAOYSA-N 1 0 368.242 2.404 20 5 FEBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H](C[NH3+])C1CC1 ZINC000818005836 675190060 /nfs/dbraw/zinc/19/00/60/675190060.db2.gz VJTJKMWBVDUGCS-LLVKDONJSA-N 1 0 360.183 2.306 20 5 FEBDRO Cc1c(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000818009579 675190361 /nfs/dbraw/zinc/19/03/61/675190361.db2.gz WHEDKQAKIVIZOV-JOYOIKCWSA-N 1 0 350.375 2.177 20 5 FEBDRO CC(C)[N@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000609138467 675911679 /nfs/dbraw/zinc/91/16/79/675911679.db2.gz MCTHGUUDJLIORP-UHFFFAOYSA-N 1 0 373.450 2.475 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386336 675920756 /nfs/dbraw/zinc/92/07/56/675920756.db2.gz PNKDTABRBGHJCO-ZDUSSCGKSA-N 1 0 350.419 2.004 20 5 FEBDRO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000578491954 671669033 /nfs/dbraw/zinc/66/90/33/671669033.db2.gz RNHHTINERNZHJZ-ZIAGYGMSSA-N 1 0 353.444 2.198 20 5 FEBDRO Cc1cc(S(=O)(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000609673518 675931989 /nfs/dbraw/zinc/93/19/89/675931989.db2.gz FXYOLULZMAEBDY-UHFFFAOYSA-N 1 0 355.460 2.446 20 5 FEBDRO C[C@H](C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000579946888 671772100 /nfs/dbraw/zinc/77/21/00/671772100.db2.gz DPEQWIDHQSFISU-SECBINFHSA-N 1 0 369.365 2.048 20 5 FEBDRO COCCOC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000581438777 671896962 /nfs/dbraw/zinc/89/69/62/671896962.db2.gz ARUYKWSXCLOIPC-INIZCTEOSA-N 1 0 350.415 2.384 20 5 FEBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1Br ZINC000581483692 671901782 /nfs/dbraw/zinc/90/17/82/671901782.db2.gz DLIOIQKBHUHXTQ-CYBMUJFWSA-N 1 0 369.219 2.013 20 5 FEBDRO CCOc1cc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c([N+](=O)[O-])cc1OC ZINC000582057109 671963037 /nfs/dbraw/zinc/96/30/37/671963037.db2.gz DAQNYRIPQFKARQ-QGZVFWFLSA-N 1 0 353.419 2.495 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000582605470 672017889 /nfs/dbraw/zinc/01/78/89/672017889.db2.gz AHEWMBCABWGMJZ-UHFFFAOYSA-N 1 0 367.471 2.364 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000129572052 672064310 /nfs/dbraw/zinc/06/43/10/672064310.db2.gz GLVBIDIEXDZEDA-NSHDSACASA-N 1 0 361.851 2.271 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000583810160 672128269 /nfs/dbraw/zinc/12/82/69/672128269.db2.gz YVDZBUHXPLTEDD-KRWDZBQOSA-N 1 0 367.471 2.264 20 5 FEBDRO CC[C@H](C[NH+]1CCCC1)NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000610576944 675982453 /nfs/dbraw/zinc/98/24/53/675982453.db2.gz KAXKJDTUFYQMKV-CQSZACIVSA-N 1 0 355.460 2.364 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1F ZINC000154301977 672214119 /nfs/dbraw/zinc/21/41/19/672214119.db2.gz BBJRLNHKKBNTSD-LLVKDONJSA-N 1 0 359.423 2.053 20 5 FEBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(Cc3cccs3)CC2)n1 ZINC000587010204 672439984 /nfs/dbraw/zinc/43/99/84/672439984.db2.gz QBZDHSNUYUWYRK-UHFFFAOYSA-N 1 0 362.411 2.160 20 5 FEBDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000589162061 672510807 /nfs/dbraw/zinc/51/08/07/672510807.db2.gz GFFKWGRJTOYWJX-ICCXJUOJSA-N 1 0 363.336 2.459 20 5 FEBDRO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000589311766 672521462 /nfs/dbraw/zinc/52/14/62/672521462.db2.gz XFPGOAXKPRXMSW-QMMMGPOBSA-N 1 0 364.183 2.448 20 5 FEBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000185757950 672533936 /nfs/dbraw/zinc/53/39/36/672533936.db2.gz SJIPNPYOPGWZHV-HNNXBMFYSA-N 1 0 353.444 2.234 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000590167383 672562976 /nfs/dbraw/zinc/56/29/76/672562976.db2.gz ACFTYSSKBYOPPL-UHFFFAOYSA-N 1 0 371.459 2.148 20 5 FEBDRO CCOc1cc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000590402557 672579361 /nfs/dbraw/zinc/57/93/61/672579361.db2.gz FFIFPZWTRINXNZ-WCQYABFASA-N 1 0 351.403 2.167 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)c1csc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000590539460 672588125 /nfs/dbraw/zinc/58/81/25/672588125.db2.gz VQIYCANEBDWPSO-UHFFFAOYSA-N 1 0 358.423 2.496 20 5 FEBDRO CN(CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)S(C)(=O)=O ZINC000591347881 672674512 /nfs/dbraw/zinc/67/45/12/672674512.db2.gz LWNHJVLFUJVIMK-INIZCTEOSA-N 1 0 355.460 2.233 20 5 FEBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000591667248 672699282 /nfs/dbraw/zinc/69/92/82/672699282.db2.gz HNUDTXTXFQDQJC-AWEZNQCLSA-N 1 0 367.471 2.364 20 5 FEBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1OC ZINC000591683421 672701611 /nfs/dbraw/zinc/70/16/11/672701611.db2.gz UZOKPYSFFZRYPI-OHUAYANFSA-N 1 0 351.403 2.118 20 5 FEBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591749735 672707560 /nfs/dbraw/zinc/70/75/60/672707560.db2.gz JINCSHDINHILOH-MCMJPZDASA-N 1 0 370.471 2.004 20 5 FEBDRO C[NH+]1CCC2(CC1)CN(c1ncc(Br)cc1[N+](=O)[O-])CCO2 ZINC000591992128 672730577 /nfs/dbraw/zinc/73/05/77/672730577.db2.gz OYUPWUHDSPLDGN-UHFFFAOYSA-N 1 0 371.235 2.053 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1SC ZINC000592172152 672767200 /nfs/dbraw/zinc/76/72/00/672767200.db2.gz AREYWRJIJMDGRC-JJXSEGSLSA-N 1 0 365.455 2.199 20 5 FEBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000592174017 672767694 /nfs/dbraw/zinc/76/76/94/672767694.db2.gz HWLABWMNOSFMOB-QOWREQOWSA-N 1 0 353.444 2.420 20 5 FEBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592391186 672796845 /nfs/dbraw/zinc/79/68/45/672796845.db2.gz ZKHAOMVBAZGCQL-HUUCEWRRSA-N 1 0 367.471 2.304 20 5 FEBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592390809 672796859 /nfs/dbraw/zinc/79/68/59/672796859.db2.gz PLIRYJRWDQQEQA-CHWSQXEVSA-N 1 0 371.434 2.134 20 5 FEBDRO CC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[C@@H]1[NH3+] ZINC000592545505 672813313 /nfs/dbraw/zinc/81/33/13/672813313.db2.gz VNKGPYMMNYOFHT-HZMBPMFUSA-N 1 0 370.247 2.486 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000612121389 676069680 /nfs/dbraw/zinc/06/96/80/676069680.db2.gz RPETZZPCIVEFIO-HZPDHXFCSA-N 1 0 350.415 2.226 20 5 FEBDRO COCC[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593100962 672876126 /nfs/dbraw/zinc/87/61/26/672876126.db2.gz MGNCTHVEMKOQMX-UHFFFAOYSA-N 1 0 351.447 2.406 20 5 FEBDRO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261548445 672899326 /nfs/dbraw/zinc/89/93/26/672899326.db2.gz BBDBSPWSNPCWSR-UHFFFAOYSA-N 1 0 363.439 2.276 20 5 FEBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593342729 672911237 /nfs/dbraw/zinc/91/12/37/672911237.db2.gz WCIBLPVQGNMWMO-UHFFFAOYSA-N 1 0 350.419 2.101 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CO ZINC000594016880 673021057 /nfs/dbraw/zinc/02/10/57/673021057.db2.gz LZXMTSCTMFPPPT-CQSZACIVSA-N 1 0 351.403 2.169 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC[C@H]1CO ZINC000594017368 673021235 /nfs/dbraw/zinc/02/12/35/673021235.db2.gz XCLKJEBMWHUMSY-AWEZNQCLSA-N 1 0 351.403 2.169 20 5 FEBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCCO1 ZINC000594043868 673024966 /nfs/dbraw/zinc/02/49/66/673024966.db2.gz PBBFPQPGPVEEQK-DZGCQCFKSA-N 1 0 351.403 2.479 20 5 FEBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594485070 673089078 /nfs/dbraw/zinc/08/90/78/673089078.db2.gz VQNQBPULZLHRPK-RDJZCZTQSA-N 1 0 367.471 2.074 20 5 FEBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCC[NH+]1CCCCCC1 ZINC000725821729 673092741 /nfs/dbraw/zinc/09/27/41/673092741.db2.gz KOCCAPKGBSWRDI-UHFFFAOYSA-N 1 0 361.851 2.403 20 5 FEBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594573613 673099756 /nfs/dbraw/zinc/09/97/56/673099756.db2.gz ORVZUYRBKSUSOF-UHFFFAOYSA-N 1 0 352.410 2.101 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C(F)F ZINC000595016179 673186464 /nfs/dbraw/zinc/18/64/64/673186464.db2.gz RBLHYYPSJUWJGM-JTQLQIEISA-N 1 0 365.402 2.143 20 5 FEBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000595112967 673195198 /nfs/dbraw/zinc/19/51/98/673195198.db2.gz HUJYHOOXKVHQSZ-INIZCTEOSA-N 1 0 367.471 2.136 20 5 FEBDRO C[C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595118231 673196572 /nfs/dbraw/zinc/19/65/72/673196572.db2.gz MCNJILNHKSMYBE-DGCLKSJQSA-N 1 0 359.423 2.262 20 5 FEBDRO C[C@@H]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000595228554 673211869 /nfs/dbraw/zinc/21/18/69/673211869.db2.gz COTSOMGASUHEPV-SKDRFNHKSA-N 1 0 361.320 2.345 20 5 FEBDRO COc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595465721 673254491 /nfs/dbraw/zinc/25/44/91/673254491.db2.gz HAKKJVJRVPWICO-CYBMUJFWSA-N 1 0 350.419 2.275 20 5 FEBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595510780 673259712 /nfs/dbraw/zinc/25/97/12/673259712.db2.gz DWPRXLXBKCTOAX-UHFFFAOYSA-N 1 0 351.447 2.176 20 5 FEBDRO COC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595615955 673273794 /nfs/dbraw/zinc/27/37/94/673273794.db2.gz OGJXQBAVISJMPS-AWEZNQCLSA-N 1 0 371.821 2.218 20 5 FEBDRO C[C@H](O)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000596067706 673355431 /nfs/dbraw/zinc/35/54/31/673355431.db2.gz QRBBIVVMGNNKPH-GUYCJALGSA-N 1 0 364.423 2.080 20 5 FEBDRO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+](C)[C@H](C)CC ZINC000596107545 673359343 /nfs/dbraw/zinc/35/93/43/673359343.db2.gz YBRSXENBOVSPIW-CYBMUJFWSA-N 1 0 372.491 2.425 20 5 FEBDRO Nc1ccc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc1[N+](=O)[O-] ZINC000596224785 673369426 /nfs/dbraw/zinc/36/94/26/673369426.db2.gz ZPQHSYPJBGZPLN-UHFFFAOYSA-N 1 0 359.352 2.789 20 5 FEBDRO COC(=O)c1c(Cl)c(N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250441 673371869 /nfs/dbraw/zinc/37/18/69/673371869.db2.gz PBVZEYPVWSPVFV-NSHDSACASA-N 1 0 371.821 2.294 20 5 FEBDRO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596306511 673375864 /nfs/dbraw/zinc/37/58/64/673375864.db2.gz FFTBJPCDVWZXCH-GFCCVEGCSA-N 1 0 350.419 2.617 20 5 FEBDRO CCc1nn(C)c(NCC2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596315603 673376814 /nfs/dbraw/zinc/37/68/14/673376814.db2.gz ZORWIUUHHZOKCF-UHFFFAOYSA-N 1 0 351.451 2.194 20 5 FEBDRO NS(=O)(=O)c1c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000596477891 673388698 /nfs/dbraw/zinc/38/86/98/673388698.db2.gz LKFXEGMZFKWNRS-LBPRGKRZSA-N 1 0 368.459 2.061 20 5 FEBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000596537526 673392558 /nfs/dbraw/zinc/39/25/58/673392558.db2.gz HHCLKEKRVCSNEF-GFCCVEGCSA-N 1 0 370.247 2.393 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000596841987 673418896 /nfs/dbraw/zinc/41/88/96/673418896.db2.gz LGTOCGCRZBQIHD-OAHLLOKOSA-N 1 0 350.419 2.478 20 5 FEBDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091661 673446121 /nfs/dbraw/zinc/44/61/21/673446121.db2.gz BOYHRRNXPIVKIJ-NSHDSACASA-N 1 0 371.825 2.063 20 5 FEBDRO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000539040517 673471446 /nfs/dbraw/zinc/47/14/46/673471446.db2.gz GOPQZVMSWWMEAT-ZDUSSCGKSA-N 1 0 355.460 2.432 20 5 FEBDRO COc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000597859621 673513874 /nfs/dbraw/zinc/51/38/74/673513874.db2.gz WJULZPRWLFDKDF-NSHDSACASA-N 1 0 351.403 2.215 20 5 FEBDRO CC[C@@H]1CN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598536588 673579967 /nfs/dbraw/zinc/57/99/67/673579967.db2.gz TVWUSWBRSUGVEX-GXTWGEPZSA-N 1 0 367.471 2.436 20 5 FEBDRO COC(=O)c1ccnc(NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598590579 673587294 /nfs/dbraw/zinc/58/72/94/673587294.db2.gz PAKVLBKAZOYWJM-ZDUSSCGKSA-N 1 0 350.419 2.843 20 5 FEBDRO COc1ccc(CSCC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598670254 673596746 /nfs/dbraw/zinc/59/67/46/673596746.db2.gz SUABAZBCOPIROU-CXAGYDPISA-N 1 0 365.455 2.176 20 5 FEBDRO C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc([N+](=O)[O-])cc1F ZINC000543588380 673655124 /nfs/dbraw/zinc/65/51/24/673655124.db2.gz PHRWYKCOCFBSMM-ZBEGNZNMSA-N 1 0 355.435 2.391 20 5 FEBDRO CC[C@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741031999 673667036 /nfs/dbraw/zinc/66/70/36/673667036.db2.gz CVNRSHDFQPKDDV-CYBMUJFWSA-N 1 0 355.366 2.336 20 5 FEBDRO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000599414259 673672417 /nfs/dbraw/zinc/67/24/17/673672417.db2.gz CIQNCFHLVCAAPV-AWEZNQCLSA-N 1 0 355.460 2.222 20 5 FEBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000599675477 673704826 /nfs/dbraw/zinc/70/48/26/673704826.db2.gz PPSDJXMJWPHDMI-CHWSQXEVSA-N 1 0 351.403 2.025 20 5 FEBDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691548 673707073 /nfs/dbraw/zinc/70/70/73/673707073.db2.gz PDXAROCXVJIZEB-UONOGXRCSA-N 1 0 355.460 2.225 20 5 FEBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000544677139 673725547 /nfs/dbraw/zinc/72/55/47/673725547.db2.gz YYMHNXZDPVYUEG-CYBMUJFWSA-N 1 0 370.475 2.309 20 5 FEBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000545864229 673778527 /nfs/dbraw/zinc/77/85/27/673778527.db2.gz XNFLHJRDHHZNFG-QGZVFWFLSA-N 1 0 367.471 2.139 20 5 FEBDRO CCOc1cc(C(=O)NCC[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000744344802 673793935 /nfs/dbraw/zinc/79/39/35/673793935.db2.gz FWTGLKQAAGZHBT-LBPRGKRZSA-N 1 0 351.403 2.216 20 5 FEBDRO Cc1n[nH]c(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000600825995 673802041 /nfs/dbraw/zinc/80/20/41/673802041.db2.gz KYEBGMVFUXMHID-UHFFFAOYSA-N 1 0 363.340 2.115 20 5 FEBDRO Cc1sc(C(=O)OCC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000744681059 673806887 /nfs/dbraw/zinc/80/68/87/673806887.db2.gz DJAMXAWEZXOOIJ-UHFFFAOYSA-N 1 0 369.443 2.111 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c([N+](=O)[O-])s1 ZINC000601341491 673845204 /nfs/dbraw/zinc/84/52/04/673845204.db2.gz CYMKZHIBVJQCHK-NEPJUHHUSA-N 1 0 359.473 2.260 20 5 FEBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CN(C)CCO1 ZINC000602576412 673908393 /nfs/dbraw/zinc/90/83/93/673908393.db2.gz NAQXLJTYPGVNGS-KWQFWETISA-N 1 0 364.265 2.228 20 5 FEBDRO Cn1nnc2c1CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C2 ZINC000602705203 673910186 /nfs/dbraw/zinc/91/01/86/673910186.db2.gz MHDXJAFBENNBHQ-ZETCQYMHSA-N 1 0 372.248 2.194 20 5 FEBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000602764308 673910923 /nfs/dbraw/zinc/91/09/23/673910923.db2.gz PIVIUVZYBLLJKC-UHFFFAOYSA-N 1 0 363.443 2.056 20 5 FEBDRO COc1cccc(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000566642285 675231234 /nfs/dbraw/zinc/23/12/34/675231234.db2.gz QAKMIWDKYDNHLC-UHFFFAOYSA-N 1 0 364.423 2.209 20 5 FEBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1ccc(Cl)nc1 ZINC000819160236 675265375 /nfs/dbraw/zinc/26/53/75/675265375.db2.gz XNVLCLKJUPJHQE-CYBMUJFWSA-N 1 0 351.790 2.215 20 5 FEBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819184080 675267497 /nfs/dbraw/zinc/26/74/97/675267497.db2.gz AIHJVVAGKHARGP-IUODEOHRSA-N 1 0 353.419 2.379 20 5 FEBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(c3cccc(Cl)c3)CC2)c1 ZINC000567262659 675279521 /nfs/dbraw/zinc/27/95/21/675279521.db2.gz ZDCFTQJZRUDJIR-HNNXBMFYSA-N 1 0 350.806 2.127 20 5 FEBDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000819332509 675282098 /nfs/dbraw/zinc/28/20/98/675282098.db2.gz DHHAPFGNGIFVDS-SWLSCSKDSA-N 1 0 353.419 2.473 20 5 FEBDRO CCc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000567781439 675321882 /nfs/dbraw/zinc/32/18/82/675321882.db2.gz FJYZIDVCPREXHV-UHFFFAOYSA-N 1 0 355.460 2.120 20 5 FEBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822931082 675517285 /nfs/dbraw/zinc/51/72/85/675517285.db2.gz KAHDUAYQDCABBR-QWHCGFSZSA-N 1 0 369.849 2.094 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1F ZINC000825083018 675636103 /nfs/dbraw/zinc/63/61/03/675636103.db2.gz BGRHKYTVWUCIIO-UHFFFAOYSA-N 1 0 353.329 2.192 20 5 FEBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825644195 675662167 /nfs/dbraw/zinc/66/21/67/675662167.db2.gz XRDAGTDIALJUQE-RYUDHWBXSA-N 1 0 353.806 2.150 20 5 FEBDRO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1SC ZINC000827318248 675747643 /nfs/dbraw/zinc/74/76/43/675747643.db2.gz FSRJJYVXJOZLIU-YPMHNXCESA-N 1 0 365.455 2.492 20 5 FEBDRO CS[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1[NH+]1CCCC1 ZINC000618305595 676330041 /nfs/dbraw/zinc/33/00/41/676330041.db2.gz HZKCCTQNULOXDR-CVEARBPZSA-N 1 0 361.471 2.483 20 5 FEBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000619499511 676381944 /nfs/dbraw/zinc/38/19/44/676381944.db2.gz DWDKBNUSZWSNGT-UHFFFAOYSA-N 1 0 371.459 2.004 20 5 FEBDRO [NH3+]C[C@H]1CCCC[C@]12NC(=O)N(Cc1cc([N+](=O)[O-])ccc1Cl)C2=O ZINC000830441632 677039895 /nfs/dbraw/zinc/03/98/95/677039895.db2.gz IRYBRRKICGFZQN-BZNIZROVSA-N 1 0 366.805 2.188 20 5 FEBDRO [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000830447869 677040188 /nfs/dbraw/zinc/04/01/88/677040188.db2.gz GOTSDHWDYLRUEX-ZBEGNZNMSA-N 1 0 366.805 2.188 20 5 FEBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[NH+]2CCC1CC2 ZINC000830791840 677060914 /nfs/dbraw/zinc/06/09/14/677060914.db2.gz YTSPXJSKSLQBJE-UHFFFAOYSA-N 1 0 366.805 2.127 20 5 FEBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000763366657 680781158 /nfs/dbraw/zinc/78/11/58/680781158.db2.gz DDPOIEZCBALJIL-JTQLQIEISA-N 1 0 363.386 2.122 20 5 FEBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000840228266 680808972 /nfs/dbraw/zinc/80/89/72/680808972.db2.gz OALQHIHBLLRJRH-CQSZACIVSA-N 1 0 350.371 2.204 20 5 FEBDRO C[NH+](C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000840952568 680856596 /nfs/dbraw/zinc/85/65/96/680856596.db2.gz PBRDPLTUANMAGO-QWRGUYRKSA-N 1 0 365.814 2.148 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000765799397 680855799 /nfs/dbraw/zinc/85/57/99/680855799.db2.gz WWJVGORZRAKECV-SKDRFNHKSA-N 1 0 356.220 2.362 20 5 FEBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SCC)C[NH+](C)C ZINC000831731913 680033932 /nfs/dbraw/zinc/03/39/32/680033932.db2.gz XDCMBYPPMIYXBC-ZDUSSCGKSA-N 1 0 355.460 2.403 20 5 FEBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000749320532 680039913 /nfs/dbraw/zinc/03/99/13/680039913.db2.gz YGPAZWPSFDVIOU-CYBMUJFWSA-N 1 0 354.401 2.478 20 5 FEBDRO CCO[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000831772261 680041238 /nfs/dbraw/zinc/04/12/38/680041238.db2.gz YTNNCWJQALKQFA-JSGCOSHPSA-N 1 0 355.460 2.158 20 5 FEBDRO O=C(N[C@@H]1[C@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775996 680337229 /nfs/dbraw/zinc/33/72/29/680337229.db2.gz SXNBNQVREYUSAL-SOYMKJDTSA-N 1 0 361.829 2.065 20 5 FEBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(F)(F)CC1 ZINC001029304729 680387681 /nfs/dbraw/zinc/38/76/81/680387681.db2.gz HORINTVCOQQVQU-LXTVHRRPSA-N 1 0 357.401 2.152 20 5 FEBDRO C[N@@H+](Cc1ccncc1Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964536 680394231 /nfs/dbraw/zinc/39/42/31/680394231.db2.gz NWFZDMOCMMZUIP-GDBMZVCRSA-N 1 0 366.849 2.071 20 5 FEBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202393 680434603 /nfs/dbraw/zinc/43/46/03/680434603.db2.gz JCVWAUYJCJRBJQ-LBPRGKRZSA-N 1 0 356.810 2.217 20 5 FEBDRO O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201068 680434704 /nfs/dbraw/zinc/43/47/04/680434704.db2.gz BMDFYCAUWDRSCY-GFCCVEGCSA-N 1 0 356.810 2.217 20 5 FEBDRO C[N@H+](CCc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426275 680446912 /nfs/dbraw/zinc/44/69/12/680446912.db2.gz PEVOMPLQYSYJHH-IAGOWNOFSA-N 1 0 365.861 2.471 20 5 FEBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836699348 680501725 /nfs/dbraw/zinc/50/17/25/680501725.db2.gz WTRZKZFDJWBTIZ-ZDUSSCGKSA-N 1 0 368.865 2.312 20 5 FEBDRO O=C(NC1CC[NH+](CCc2c(F)cccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789014 680508226 /nfs/dbraw/zinc/50/82/26/680508226.db2.gz QTQXAIDZHQJUSC-CZUORRHYSA-N 1 0 369.824 2.267 20 5 FEBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841857134 680915100 /nfs/dbraw/zinc/91/51/00/680915100.db2.gz DVKNXPUSTZVSIT-TXEJJXNPSA-N 1 0 352.822 2.389 20 5 FEBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C[N@@H+]1CCO ZINC000842162768 680929596 /nfs/dbraw/zinc/92/95/96/680929596.db2.gz ICPJOXLEMSUSNT-NEPJUHHUSA-N 1 0 372.263 2.244 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000842486145 680950521 /nfs/dbraw/zinc/95/05/21/680950521.db2.gz SXWMAXSGMVWVOU-GXSJLCMTSA-N 1 0 361.851 2.162 20 5 FEBDRO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2([NH3+])CCCCC2)c1 ZINC000842675556 680958938 /nfs/dbraw/zinc/95/89/38/680958938.db2.gz ZKNAGKZKIBQCQA-UHFFFAOYSA-N 1 0 361.851 2.497 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000842689528 680959664 /nfs/dbraw/zinc/95/96/64/680959664.db2.gz ILJNTZPAAWAQHA-CMPLNLGQSA-N 1 0 361.851 2.447 20 5 FEBDRO CC[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC[C@H]1[NH3+] ZINC000842799575 680967750 /nfs/dbraw/zinc/96/77/50/680967750.db2.gz YDHNNTQLGGZGNO-CMPLNLGQSA-N 1 0 361.851 2.305 20 5 FEBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000842872009 680972667 /nfs/dbraw/zinc/97/26/67/680972667.db2.gz JUCQJYFBCVBBLK-TXEJJXNPSA-N 1 0 373.862 2.177 20 5 FEBDRO CC1(C)CCC[N@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000769706749 680992100 /nfs/dbraw/zinc/99/21/00/680992100.db2.gz DRKUBYNMSIMXIT-UHFFFAOYSA-N 1 0 353.394 2.351 20 5 FEBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000843990485 681029694 /nfs/dbraw/zinc/02/96/94/681029694.db2.gz UHZABODSMQXBCM-ZDUSSCGKSA-N 1 0 350.375 2.368 20 5 FEBDRO Cc1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1F ZINC000771743838 681067675 /nfs/dbraw/zinc/06/76/75/681067675.db2.gz RZSNYKUHXKGICI-ZDUSSCGKSA-N 1 0 373.450 2.441 20 5 FEBDRO O=C(NCC1CC[NH+](C2CC2)CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000772908306 681117202 /nfs/dbraw/zinc/11/72/02/681117202.db2.gz IFWROGCELXNWAU-UHFFFAOYSA-N 1 0 361.427 2.204 20 5 FEBDRO Cc1cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)cc([N+](=O)[O-])c1F ZINC000846038764 681176192 /nfs/dbraw/zinc/17/61/92/681176192.db2.gz QEESCXKCUIJAGD-UHFFFAOYSA-N 1 0 359.423 2.149 20 5 FEBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000774537525 681201420 /nfs/dbraw/zinc/20/14/20/681201420.db2.gz VDMHMQATZLIJQG-KGLIPLIRSA-N 1 0 371.434 2.392 20 5 FEBDRO CC(C)N(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000932408233 681243117 /nfs/dbraw/zinc/24/31/17/681243117.db2.gz LAKUFTINWAUVCQ-UHFFFAOYSA-N 1 0 355.439 2.406 20 5 FEBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000775820937 681339185 /nfs/dbraw/zinc/33/91/85/681339185.db2.gz XXZAOGGPNPDUGH-KGLIPLIRSA-N 1 0 351.403 2.430 20 5 FEBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591688 681412685 /nfs/dbraw/zinc/41/26/85/681412685.db2.gz FVHIDECTWPLNKJ-DOMZBBRYSA-N 1 0 353.419 2.473 20 5 FEBDRO C[NH+]1CCC(OCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000933497806 681422098 /nfs/dbraw/zinc/42/20/98/681422098.db2.gz IKNUXSXAGGQOAJ-KRWDZBQOSA-N 1 0 365.455 2.280 20 5 FEBDRO COc1cc(OCC(=O)OC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000847961404 681456270 /nfs/dbraw/zinc/45/62/70/681456270.db2.gz XBDOOMCGKVLAJB-CYBMUJFWSA-N 1 0 352.387 2.400 20 5 FEBDRO C[N@@H+]1C[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000933738161 681460011 /nfs/dbraw/zinc/46/00/11/681460011.db2.gz FPKLSIISRZZMKA-BZNIZROVSA-N 1 0 352.822 2.070 20 5 FEBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000848535919 681574038 /nfs/dbraw/zinc/57/40/38/681574038.db2.gz MALDZCZPARCEIS-CHWSQXEVSA-N 1 0 353.423 2.217 20 5 FEBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582687 681582805 /nfs/dbraw/zinc/58/28/05/681582805.db2.gz PFEHYMFFXVZJQZ-LBPRGKRZSA-N 1 0 357.357 2.413 20 5 FEBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587268 681584307 /nfs/dbraw/zinc/58/43/07/681584307.db2.gz HILGGZJEHRFBPW-LBPRGKRZSA-N 1 0 357.357 2.367 20 5 FEBDRO CS[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000935112654 681690070 /nfs/dbraw/zinc/69/00/70/681690070.db2.gz GDTCOQDAGIWRAE-LSDHHAIUSA-N 1 0 355.435 2.171 20 5 FEBDRO C[NH+](C)CCn1cc(C(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)cn1 ZINC000913385451 685476133 /nfs/dbraw/zinc/47/61/33/685476133.db2.gz BHXVLJYARSDGFM-UHFFFAOYSA-N 1 0 369.784 2.075 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000850591961 681922221 /nfs/dbraw/zinc/92/22/21/681922221.db2.gz KDJPSAWUSBNCIV-KOLCDFICSA-N 1 0 361.851 2.305 20 5 FEBDRO C[C@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000781651821 681957751 /nfs/dbraw/zinc/95/77/51/681957751.db2.gz YJQLQMVFHWMBGX-AAEUAGOBSA-N 1 0 350.375 2.035 20 5 FEBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000851682156 682104963 /nfs/dbraw/zinc/10/49/63/682104963.db2.gz SLIANSMQPPPVMC-SECBINFHSA-N 1 0 371.235 2.033 20 5 FEBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)N1c1cnn(C)c1 ZINC000783640002 682161107 /nfs/dbraw/zinc/16/11/07/682161107.db2.gz YEHDSEQKJOHCLJ-IINYFYTJSA-N 1 0 363.805 2.265 20 5 FEBDRO CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1=O ZINC000783637059 682161220 /nfs/dbraw/zinc/16/12/20/682161220.db2.gz CJOCHLMPUXNQQU-MEDUHNTESA-N 1 0 366.805 2.058 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000851880056 682175293 /nfs/dbraw/zinc/17/52/93/682175293.db2.gz RZTNATFFGHGIIC-UHFFFAOYSA-N 1 0 371.434 2.134 20 5 FEBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000851894695 682179992 /nfs/dbraw/zinc/17/99/92/682179992.db2.gz PDBFLPQZAZAXJT-CYBMUJFWSA-N 1 0 371.434 2.134 20 5 FEBDRO O=[N+]([O-])c1c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)nc2sccn21 ZINC000917064091 685529389 /nfs/dbraw/zinc/52/93/89/685529389.db2.gz IRGVVWUGORWCLE-LBPRGKRZSA-N 1 0 351.432 2.359 20 5 FEBDRO CCC(CC)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000917652033 685533473 /nfs/dbraw/zinc/53/34/73/685533473.db2.gz LEGOXUGKWMTHSV-AWEZNQCLSA-N 1 0 361.439 2.379 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000917909473 685535648 /nfs/dbraw/zinc/53/56/48/685535648.db2.gz UCYDCVWMIWITMA-WDEREUQCSA-N 1 0 359.835 2.153 20 5 FEBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC000853132518 682380600 /nfs/dbraw/zinc/38/06/00/682380600.db2.gz WLJTWSUSTOHOAX-CABCVRRESA-N 1 0 356.300 2.369 20 5 FEBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000788913353 682565327 /nfs/dbraw/zinc/56/53/27/682565327.db2.gz NWFFQQJOTFOANE-AAEUAGOBSA-N 1 0 373.450 2.441 20 5 FEBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000855161313 682634062 /nfs/dbraw/zinc/63/40/62/682634062.db2.gz NWZFCPYYASZIEK-SNVBAGLBSA-N 1 0 363.443 2.450 20 5 FEBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791211396 682728654 /nfs/dbraw/zinc/72/86/54/682728654.db2.gz OISXIMJBJNJPQA-GFCCVEGCSA-N 1 0 352.410 2.404 20 5 FEBDRO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766638 682911068 /nfs/dbraw/zinc/91/10/68/682911068.db2.gz SSCKQQOQEMPAJQ-IJLUTSLNSA-N 1 0 355.341 2.071 20 5 FEBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C2 ZINC000857769851 682911405 /nfs/dbraw/zinc/91/14/05/682911405.db2.gz RZROCUONGVPAAG-NHYWBVRUSA-N 1 0 355.341 2.154 20 5 FEBDRO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000858196437 682943650 /nfs/dbraw/zinc/94/36/50/682943650.db2.gz QDZCTIWHOSKUGL-UHFFFAOYSA-N 1 0 366.849 2.102 20 5 FEBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000794575432 682980933 /nfs/dbraw/zinc/98/09/33/682980933.db2.gz BJZWIVGSWBZWEO-NDMJEZRESA-N 1 0 368.821 2.080 20 5 FEBDRO C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000858633225 682987708 /nfs/dbraw/zinc/98/77/08/682987708.db2.gz WYBDUIDGLBFBTI-DTORHVGOSA-N 1 0 367.349 2.075 20 5 FEBDRO CCOC(=O)c1cc(C(=O)OCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000858985409 683022604 /nfs/dbraw/zinc/02/26/04/683022604.db2.gz CGXYUDNYYVHPJA-UHFFFAOYSA-N 1 0 350.371 2.414 20 5 FEBDRO CC1(C)CC2(CC([NH2+]CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000926150005 683083066 /nfs/dbraw/zinc/08/30/66/683083066.db2.gz DTSQVYDYFVJDNY-UHFFFAOYSA-N 1 0 368.455 2.306 20 5 FEBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798201472 683320383 /nfs/dbraw/zinc/32/03/83/683320383.db2.gz UAJZHMMHHQABNW-GFCCVEGCSA-N 1 0 358.826 2.463 20 5 FEBDRO COc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451745 683453743 /nfs/dbraw/zinc/45/37/43/683453743.db2.gz GNQUZPOTAVYHEN-WCQYABFASA-N 1 0 353.444 2.045 20 5 FEBDRO CCN(C(=O)c1cc([N+](=O)[O-])ncc1Br)C1CC[NH+](C)CC1 ZINC000861892302 683494386 /nfs/dbraw/zinc/49/43/86/683494386.db2.gz FJSOUBHTIKELOG-UHFFFAOYSA-N 1 0 371.235 2.309 20 5 FEBDRO O=[N+]([O-])c1ccc(N2CCN(CCOC3CCSCC3)CC2)cn1 ZINC000929171131 683556587 /nfs/dbraw/zinc/55/65/87/683556587.db2.gz GGJJSKPSDQUUGZ-UHFFFAOYSA-N 1 0 352.460 2.024 20 5 FEBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000930158919 683687161 /nfs/dbraw/zinc/68/71/61/683687161.db2.gz ARJUQYNBMBFDFL-CABCVRRESA-N 1 0 368.821 2.311 20 5 FEBDRO COCC[N@@H+]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000930684199 683770461 /nfs/dbraw/zinc/77/04/61/683770461.db2.gz NEHKZZJCPYYEKI-UHFFFAOYSA-N 1 0 369.849 2.362 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000930903192 683799681 /nfs/dbraw/zinc/79/96/81/683799681.db2.gz HJWOAEMXXPMDLH-OAHLLOKOSA-N 1 0 372.263 2.246 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930904969 683799948 /nfs/dbraw/zinc/79/99/48/683799948.db2.gz XIVOASHVJMKKCG-OAHLLOKOSA-N 1 0 372.263 2.246 20 5 FEBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000867309291 684244020 /nfs/dbraw/zinc/24/40/20/684244020.db2.gz RDRIZMKOVBQKIE-KWQFWETISA-N 1 0 365.814 2.100 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000923269454 684253127 /nfs/dbraw/zinc/25/31/27/684253127.db2.gz WWERIPHGGBPFII-VHSXEESVSA-N 1 0 369.219 2.061 20 5 FEBDRO C[NH+]1C[C@]2(C)CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931311155 684259688 /nfs/dbraw/zinc/25/96/88/684259688.db2.gz OETGWLDNWZPCDP-IAGOWNOFSA-N 1 0 366.849 2.460 20 5 FEBDRO C[NH+](C)CC1(O)CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000931482010 684290044 /nfs/dbraw/zinc/29/00/44/684290044.db2.gz YOPREZUOKWJOLT-UHFFFAOYSA-N 1 0 372.263 2.246 20 5 FEBDRO C[NH+]1CCC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000867621666 684334826 /nfs/dbraw/zinc/33/48/26/684334826.db2.gz XQJGMBDYCSRULQ-UHFFFAOYSA-N 1 0 359.473 2.153 20 5 FEBDRO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c(C)cc1[N+](=O)[O-] ZINC000923735227 684342554 /nfs/dbraw/zinc/34/25/54/684342554.db2.gz UNXYRXFHHVOSAP-INIZCTEOSA-N 1 0 353.444 2.118 20 5 FEBDRO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)cc1[N+](=O)[O-] ZINC000923737221 684343144 /nfs/dbraw/zinc/34/31/44/684343144.db2.gz XSBZINMBJZLVEW-OAHLLOKOSA-N 1 0 373.862 2.463 20 5 FEBDRO C[NH+]1CC2(C1)CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000867834573 684404807 /nfs/dbraw/zinc/40/48/07/684404807.db2.gz UDNFFLGJMGJHCB-UHFFFAOYSA-N 1 0 368.231 2.064 20 5 FEBDRO COCCC1(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000868039450 684442732 /nfs/dbraw/zinc/44/27/32/684442732.db2.gz ZPNYVOTUXRUWHT-ZDUSSCGKSA-N 1 0 367.471 2.350 20 5 FEBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000868391753 684489885 /nfs/dbraw/zinc/48/98/85/684489885.db2.gz NPQBSEUFYIRBQY-IAQYHMDHSA-N 1 0 352.822 2.484 20 5 FEBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000925147017 684529201 /nfs/dbraw/zinc/52/92/01/684529201.db2.gz ZAMNLEQALXBOIP-GOEBONIOSA-N 1 0 364.471 2.316 20 5 FEBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148797 684922355 /nfs/dbraw/zinc/92/23/55/684922355.db2.gz HGQKMNZPKMODIS-OHUAYANFSA-N 1 0 352.822 2.117 20 5 FEBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCC23CCOCC3)cc1 ZINC000872228319 684929667 /nfs/dbraw/zinc/92/96/67/684929667.db2.gz DEWXFKUUQONTBV-AWEZNQCLSA-N 1 0 368.455 2.165 20 5 FEBDRO COc1cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000873228412 685099717 /nfs/dbraw/zinc/09/97/17/685099717.db2.gz UFYJBRIYUGPFCM-MNOVXSKESA-N 1 0 363.336 2.181 20 5 FEBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)[C@H](C)SC)cc([N+](=O)[O-])c2)CC1 ZINC000876231458 686162405 /nfs/dbraw/zinc/16/24/05/686162405.db2.gz XGVVRRUXWZIINM-ZDUSSCGKSA-N 1 0 366.487 2.451 20 5 FEBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000876808515 686273987 /nfs/dbraw/zinc/27/39/87/686273987.db2.gz JSCRUCJZAAHUEB-UHFFFAOYSA-N 1 0 355.460 2.067 20 5 FEBDRO [NH3+]C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000877368703 686366430 /nfs/dbraw/zinc/36/64/30/686366430.db2.gz JDAWMHWTPQDFLS-IONNQARKSA-N 1 0 351.712 2.457 20 5 FEBDRO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc([N+](=O)[O-])cc1Br ZINC000877392016 686371200 /nfs/dbraw/zinc/37/12/00/686371200.db2.gz KVEPXSJJDZBPJW-JSGCOSHPSA-N 1 0 354.204 2.372 20 5 FEBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)c3cc(F)c(F)c(F)c3)C2)c1 ZINC000877642231 686428617 /nfs/dbraw/zinc/42/86/17/686428617.db2.gz HUYRYXGWLZKRGQ-RPFQZYLTSA-N 1 0 356.304 2.235 20 5 FEBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000879601072 686867333 /nfs/dbraw/zinc/86/73/33/686867333.db2.gz KBQMATOAEQQXCD-OAHLLOKOSA-N 1 0 354.838 2.459 20 5 FEBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000880585403 687063370 /nfs/dbraw/zinc/06/33/70/687063370.db2.gz RHENCKFUIJBEJQ-HNNXBMFYSA-N 1 0 350.415 2.357 20 5 FEBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000883300419 687603307 /nfs/dbraw/zinc/60/33/07/687603307.db2.gz WQCOTWKUXVQTCK-LBPRGKRZSA-N 1 0 364.370 2.253 20 5 FEBDRO O=C(CN1CC[NH2+]CCC12CCC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000883456547 687634653 /nfs/dbraw/zinc/63/46/53/687634653.db2.gz AUVWPDYWWABYRD-UHFFFAOYSA-N 1 0 352.822 2.405 20 5 FEBDRO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885858079 688170580 /nfs/dbraw/zinc/17/05/80/688170580.db2.gz LBGJOCZOLUDFSD-CQSZACIVSA-N 1 0 365.455 2.056 20 5 FEBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000885872821 688174891 /nfs/dbraw/zinc/17/48/91/688174891.db2.gz KMRPECXMLLBQGN-LBPRGKRZSA-N 1 0 353.806 2.231 20 5 FEBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886899856 688336646 /nfs/dbraw/zinc/33/66/46/688336646.db2.gz WRUBNXDKQVGDPA-INIZCTEOSA-N 1 0 353.444 2.058 20 5 FEBDRO C[NH+](C)C[C@]1(O)CCN(c2c3cc(Cl)ccc3ncc2[N+](=O)[O-])C1 ZINC000895010850 689639971 /nfs/dbraw/zinc/63/99/71/689639971.db2.gz WIDASVOPPRXBFS-MRXNPFEDSA-N 1 0 350.806 2.299 20 5 FEBDRO Cc1c(Br)c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248256 689683863 /nfs/dbraw/zinc/68/38/63/689683863.db2.gz ZJGCVMMJMIWGSZ-CMPLNLGQSA-N 1 0 372.267 2.107 20 5 FEBDRO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000895248743 689684167 /nfs/dbraw/zinc/68/41/67/689684167.db2.gz MYPVXAYVPOJWBY-NHYWBVRUSA-N 1 0 363.849 2.265 20 5 FEBDRO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@@H+]4CCSC[C@H]34)cc2N1 ZINC000895573431 689737934 /nfs/dbraw/zinc/73/79/34/689737934.db2.gz YICMMIVYCCZHAV-BLLLJJGKSA-N 1 0 362.455 2.471 20 5 FEBDRO C[C@](CO)([NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000895752453 689766312 /nfs/dbraw/zinc/76/63/12/689766312.db2.gz JCFCRIQDRVQYLZ-BZUAXINKSA-N 1 0 354.378 2.026 20 5 FEBDRO C[C@@H](C[NH2+]Cc1nc(Br)nn1C)c1ccccc1[N+](=O)[O-] ZINC000897459660 690026391 /nfs/dbraw/zinc/02/63/91/690026391.db2.gz NVJFMXUBSFNZFA-VIFPVBQESA-N 1 0 354.208 2.379 20 5 FEBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCS(=O)(=O)N1CCCC1 ZINC000897830372 690086839 /nfs/dbraw/zinc/08/68/39/690086839.db2.gz UCCWAJSXEWAJJH-KAMYIIQDSA-N 1 0 353.444 2.013 20 5 FEBDRO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900966117 690594483 /nfs/dbraw/zinc/59/44/83/690594483.db2.gz PBTOVHDDEZHKNM-LLVKDONJSA-N 1 0 371.796 2.182 20 5 FEBDRO O=C(CN[C@@H]1CC[NH2+]C12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000903484663 690898877 /nfs/dbraw/zinc/89/88/77/690898877.db2.gz USJICCLCAHRWQW-CQSZACIVSA-N 1 0 352.822 2.451 20 5 FEBDRO CCOc1cc(N2CCN(C[C@H]([NH3+])CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000903909535 690985441 /nfs/dbraw/zinc/98/54/41/690985441.db2.gz FKQXRYDKFKVTCA-GFCCVEGCSA-N 1 0 358.389 2.098 20 5 FEBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956681 690989268 /nfs/dbraw/zinc/98/92/68/690989268.db2.gz MWMMZJVYLSUNKO-RYUDHWBXSA-N 1 0 356.373 2.146 20 5 FEBDRO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000905355692 691107371 /nfs/dbraw/zinc/10/73/71/691107371.db2.gz BKFMMKWFHWWJLF-HNNXBMFYSA-N 1 0 371.434 2.133 20 5 FEBDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000905425694 691117439 /nfs/dbraw/zinc/11/74/39/691117439.db2.gz ADKVECNDPFEGJZ-ZDUSSCGKSA-N 1 0 361.236 2.480 20 5 FEBDRO CCSc1ccccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000905567090 691142671 /nfs/dbraw/zinc/14/26/71/691142671.db2.gz XYXGDXAVHQCNFT-OAHLLOKOSA-N 1 0 350.444 2.097 20 5 FEBDRO C[NH+]1CCC2(CCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000907853587 691570902 /nfs/dbraw/zinc/57/09/02/691570902.db2.gz KQSMCXALUJSFIF-UHFFFAOYSA-N 1 0 359.835 2.107 20 5 FEBDRO